A0A087XZP9_POEFO Loading...

Ankyrin repeat and LEM domain-containing protein 2

Involved in mitotic nuclear envelope reassembly by promoting dephosphorylation of BAF/BANF1 during mitotic exit. Coordinates the control of BAF/BANF1 dephosphorylation by inhibiting VRK1 kinase and promoting dephosphorylation of BAF/BANF1 by protein phosphatase 2A (PP2A), thereby facilitating nuclear envelope assembly. May regulate nuclear localization of VRK1 in non-dividing cells. It is unclear whether it acts as a real PP2A regulatory subunit or whether it is involved in recruitment of the PP2A complex. Involved in brain development.

AlphaFold DB , UniProt , Accession A0A087XZP9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 966 aa.

						>A0A087XZP9_POEFO|A0A087XZP9
MEAVLTRLKGLSAAELSEEFVRADLKCGPITSTTRATYERKLARVLAGQEGAVAAETDSSCSSQVTDSAASFSKPAAGATSAVSLESVAASSSSTSQRNGEDLDFGYGVGLNPPDEEEISGKSDFNSSADCSSSQFKAETPSKPAQASPTFYYGVCPLWEDVLARTEGAHVYTDKKDALQAVKTMKGARFKAFTSREDAERFSKGLCDYCPSPSKSTPCISPIKPGLVVGKEHVEVDTINREKANSFKSPRSQDLTAKLRKAVEKGDEQAFSELVWNNPRYLIGSGDNPTVVQEGCRYNVMHVAAKENQAGIAQLLLDTLENPEFMHLMYPDDQEVMLQKRIRYIVDLYLNTPDKASFETPLHFACKFGCPDVVNVLCSHPDIDKNCKNRDGQKPSDLICSRKNKTAEVKQRISDYLEDRCYIPLLRATDNTSQPIIGASWSPESSESLSLIQRHTRSPTDPWMTVTAFAGPLSPSKADDFRRSWKTPPRERAEFFHHILKSDPDRGAERVGRDLAHELGHPWAEYWGFLDCFVDLSSTEGLRKLEEYLSKKDFNHRAHEGAGPNETSNRFKTPSPGKPKKFCNSISVGAFLDEGDDISLEEIKNRQNAALSSITSSAASKDTLKGSVGGREFHIALRHRGADLIENAAERDLLCCCDDGLLSPGVVCKTGACSSSSSSRDRTHNGEKASPRGSPSSSCMLSPISNLMAEFERMSLHEPADSPAGYRERRSGSRNRHKDGRNSCSSFSATDLSSGLNRLSLRQDGRDRAESSSSGSSDEYLTAEESLESLGRTRGSASGVRNFCARSKSWDHGGRDLSSSSSSGSSYKSLDNSHEFLPRTPPHFRRGLFIEGDSPTKLDSEVMSALRDADIDPQKYPSVHKWKSTMKSYSPSDMQSWPSPVVKPRLRMQQQQQTPGSPGSGLMSPTGRFSPIRHAASPDFSPSRYSPANVSYIQRLRFKHLSEPLF
					

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(Predicted Aligned Error values between residue pairs)

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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	75	Confident	84.5	Confident	128 Å²	128	78.8 Å²	78.8	63%	0.631	44%	0.437	S	S	*	.				0	-55.5	0	-166.3	173.2	-67.9	0	0	112.4	A3 V4 L5 R44	M1-A3 PolarHBondContact O-N 3.27Å; M1-V4 WeakPolarHBondContact O-CB 3.45Å; M1-V4 PolarHBondContact O-N 3.3Å; M1-L5 PolarHBondContact O-N 3.38Å; M1-R44 HydrophobicContact CE-CG 3.96Å; M1-R44 HydrophobicContact SD-CG 4.24Å
2	E	78.6	Confident	84.8	Confident	159 Å²	159	76.2 Å²	76.2	74%	0.743	43%	0.428	S	S	*	.	H	α-helix	trans	-57.5	-42.9	-176.6	-65.9	-174.5	114.1	0	0	114.3	V4 L5 T6	E2-V4 PolarHBondContact O-N 2.77Å; E2-V4 VanDerWaalsContact O-N 3.16Å; E2-L5 CarbonylContact O-C 3.49Å; E2-L5 WeakPolarHBondContact O-CA 3.14Å; E2-L5 WeakPolarHBondContact O-CB 3Å; E2-L5 PolarHBondContact O-N 2.7Å; E2-T6 PolarHBondContact O-N 3.36Å; E2-T6 PolarHBondContact O-OG1 3.25Å
3	A	81.1	Confident	84.9	Confident	81 Å²	81	73.2 Å²	73.2	67%	0.669	42%	0.419	S	S	*	.	H	α-helix	trans	-54	-36.1	174.5	0	0	0	0	0	113.3	M1 T6 R7	M1-A3 PolarHBondContact O-N 3.27Å; A3-T6 PolarHBondContact O-N 2.99Å; A3-R7 PolarHBondContact O-N 3.45Å
4	V	85.4	Confident	84.8	Confident	11 Å²	11	72.3 Å²	72.3	7%	0.067	43%	0.425	C	S	.	.	H	α-helix	trans	-70.9	-40.9	175.2	-175.4	0	0	0	0	110.8	M1 E2 T6 R7 L8 A43 L46	M1-V4 WeakPolarHBondContact O-CB 3.45Å; M1-V4 PolarHBondContact O-N 3.3Å; E2-V4 PolarHBondContact O-N 2.77Å; E2-V4 VanDerWaalsContact O-N 3.16Å; V4-T6 VanDerWaalsContact C-N 3.34Å; V4-T6 PolarHBondContact O-N 2.88Å; V4-R7 PolarHBondContact O-N 3.35Å; V4-L8 HydrophobicContact CG1-CD1 4.2Å; V4-L8 HydrophobicContact CG1-CG 4.38Å; V4-L8 VanDerWaalsContact O-CG 3.31Å; V4-L8 WeakPolarHBondContact O-CG 3.15Å; V4-L8 PolarHBondContact O-N 2.99Å; V4-A43 HydrophobicContact CB-CB 4.47Å; V4-A43 HydrophobicContact CG1-CB 4.06Å; V4-L46 HydrophobicContact CG1-CB 4.16Å; V4-L46 HydrophobicContact CG1-CD1 3.94Å
5	L	87	Confident	85	Confident	34 Å²	34	73.7 Å²	73.7	18%	0.178	43%	0.426	C	S	.	.	H	α-helix	trans	-62.9	-39.7	173.9	-73.7	167.7	0	0	0	112	M1 E2 L8 K9 E39 R40 A43	M1-L5 PolarHBondContact O-N 3.38Å; E2-L5 CarbonylContact O-C 3.49Å; E2-L5 WeakPolarHBondContact O-CA 3.14Å; E2-L5 WeakPolarHBondContact O-CB 3Å; E2-L5 PolarHBondContact O-N 2.7Å; L5-L8 PolarHBondContact O-N 3.24Å; L5-K9 WeakPolarHBondContact O-CB 3.19Å; L5-K9 VanDerWaalsContact O-CG 3.29Å; L5-K9 WeakPolarHBondContact O-CG 3.42Å; L5-K9 PolarHBondContact O-N 2.89Å; L5-E39 HydrophobicContact CD2-CB 4.44Å; L5-R40 HydrophobicContact CD2-CG 3.85Å; L5-A43 HydrophobicContact CD2-CB 3.49Å; L5-A43 VanDerWaalsContact CD2-CB 3.49Å; L5-A43 HydrophobicContact CG-CB 3.73Å
6	T	87.5	Confident	85.2	Confident	100 Å²	100	69.1 Å²	69.1	61%	0.613	40%	0.399	S	S	*	.	H	α-helix	trans	-64.7	-40.2	175.2	-56.2	0	0	0	0	111.5	E2 A3 V4	E2-T6 PolarHBondContact O-N 3.36Å; E2-T6 PolarHBondContact O-OG1 3.25Å; A3-T6 PolarHBondContact O-N 2.99Å; V4-T6 VanDerWaalsContact C-N 3.34Å; V4-T6 PolarHBondContact O-N 2.88Å
7	R	88.7	Confident	85.2	Confident	118 Å²	118	67.9 Å²	67.9	45%	0.445	40%	0.395	S	S	.	.	H	α-helix	trans	-59.8	-51.7	171.4	-168.6	-177.3	98.8	-152	9.4	111.6	A3 V4 K9 G10 E19	A3-R7 PolarHBondContact O-N 3.45Å; V4-R7 PolarHBondContact O-N 3.35Å; R7-K9 VanDerWaalsContact C-N 3.35Å; R7-K9 PolarHBondContact O-N 3.37Å; R7-G10 PolarHBondContact O-N 3.24Å; R7-G10 VanDerWaalsContact O-N 3.1Å; R7-E19 IonicContact CZ-OE1 3.78Å; R7-E19 IonicContact NE-OE1 3.72Å; R7-E19 IonicContact NH2-OE1 2.72Å; R7-E19 PolarHBondContact NH2-OE1 3.4Å
8	L	87.2	Confident	85.2	Confident	0 Å²	0	70 Å²	70	0%	0	40%	0.401	C	S	.	.	H	α-helix	trans	-67.2	-31.6	-175	-67	179.4	0	0	0	113.5	V4 L5 G10 L11 L16 E39 L42 A43 L46	V4-L8 HydrophobicContact CG1-CD1 4.2Å; V4-L8 HydrophobicContact CG1-CG 4.38Å; V4-L8 VanDerWaalsContact O-CG 3.31Å; V4-L8 WeakPolarHBondContact O-CG 3.15Å; V4-L8 PolarHBondContact O-N 2.99Å; L5-L8 PolarHBondContact O-N 3.24Å; L8-G10 PolarHBondContact O-N 3.15Å; L8-L11 HydrophobicContact CD2-CD1 3.77Å; L8-L11 PolarHBondContact O-N 2.94Å; L8-L16 HydrophobicContact CB-CD1 4.24Å; L8-L16 HydrophobicContact CD2-CD1 4.05Å; L8-E39 HydrophobicContact CB-CG 4.43Å; L8-L42 HydrophobicContact CD1-CB 3.94Å; L8-L42 HydrophobicContact CD1-CD2 3.78Å; L8-L42 HydrophobicContact CD1-CG 3.81Å; L8-L42 HydrophobicContact CD2-CD2 3.57Å; L8-L42 HydrophobicContact CD2-CG 4.34Å; L8-L42 HydrophobicContact CG-CD2 4.33Å; L8-A43 HydrophobicContact CD1-CB 3.97Å; L8-L46 HydrophobicContact CD1-CD1 4.49Å; L8-L46 HydrophobicContact CD2-CD1 4.45Å
9	K	87.1	Confident	85.3	Confident	135 Å²	135	67.6 Å²	67.6	59%	0.587	39%	0.386	S	S	*	.	H	α-helix	trans	-63.3	-27.4	172.2	-78.7	172.6	177	-178.1	0	113.3	L5 R7 E39	L5-K9 WeakPolarHBondContact O-CB 3.19Å; L5-K9 VanDerWaalsContact O-CG 3.29Å; L5-K9 WeakPolarHBondContact O-CG 3.42Å; L5-K9 PolarHBondContact O-N 2.89Å; R7-K9 VanDerWaalsContact C-N 3.35Å; R7-K9 PolarHBondContact O-N 3.37Å; K9-E39 WeakPolarHBondContact CG-OE2 3.13Å
10	G	84.3	Confident	85.6	Confident	68 Å²	68	64.2 Å²	64.2	70%	0.701	37%	0.366	S	S	*	.	H	α-helix	trans	-80	-16.6	178.3	0	0	0	0	0	114.6	R7 L8	R7-G10 PolarHBondContact O-N 3.24Å; R7-G10 VanDerWaalsContact O-N 3.1Å; L8-G10 PolarHBondContact O-N 3.15Å
11	L	88	Confident	85.7	Confident	33 Å²	33	66.3 Å²	66.3	17%	0.173	38%	0.38	C	S	.	.	S	Bend	trans	-78.1	148.3	178.8	-60.7	-179	0	0	0	111.6	L8 E15 E19 R35	L8-L11 HydrophobicContact CD2-CD1 3.77Å; L8-L11 PolarHBondContact O-N 2.94Å; L11-E15 HydrophobicContact CB-CB 4.08Å; L11-E15 HydrophobicContact CD2-CB 4.32Å; L11-E19 HydrophobicContact CD1-CG 3.78Å; L11-R35 PolarHBondContact O-NH2 3.08Å
12	S	88.3	Confident	86.1	Confident	47 Å²	47	67.9 Å²	67.9	33%	0.329	38%	0.379	S	S	.	.			trans	-67.5	170.1	168.7	73.2	0	0	0	0	112.3	A14 E15 L16	S12-A14 VanDerWaalsContact C-N 3.26Å; S12-A14 PolarHBondContact O-N 3.43Å; S12-A14 PolarHBondContact OG-N 2.85Å; S12-E15 WeakPolarHBondContact CA-OE2 3.41Å; S12-E15 WeakPolarHBondContact CB-OE2 3.38Å; S12-E15 PolarHBondContact N-OE2 2.85Å; S12-E15 WeakPolarHBondContact OG-CG 3.48Å; S12-E15 PolarHBondContact OG-N 3.21Å; S12-E15 PolarHBondContact OG-OE2 3.28Å; S12-L16 VanDerWaalsContact O-CB 3.25Å; S12-L16 WeakPolarHBondContact O-CB 3.34Å; S12-L16 PolarHBondContact O-N 3.48Å
13	A	85.7	Confident	86.3	Confident	38 Å²	38	61 Å²	61	31%	0.314	35%	0.35	S	S	.	.	H	α-helix	trans	-65.5	-28.7	177.1	0	0	0	0	0	112.9	S17 I30	A13-S17 PolarHBondContact O-N 3.22Å; A13-I30 HydrophobicContact CB-CB 4.36Å; A13-I30 HydrophobicContact CB-CG2 4.06Å
14	A	83.7	Confident	86.4	Confident	60 Å²	60	64.9 Å²	64.9	50%	0.496	36%	0.359	S	S	.	.	H	α-helix	trans	-72.4	-52.8	175.8	0	0	0	0	0	110.9	S12 L16 S17 E18	S12-A14 VanDerWaalsContact C-N 3.26Å; S12-A14 PolarHBondContact O-N 3.43Å; S12-A14 PolarHBondContact OG-N 2.85Å; A14-L16 VanDerWaalsContact C-N 3.29Å; A14-L16 PolarHBondContact O-N 2.9Å; A14-S17 CarbonylContact O-C 3.57Å; A14-S17 WeakPolarHBondContact O-CA 3.43Å; A14-S17 WeakPolarHBondContact O-CB 3.45Å; A14-S17 PolarHBondContact O-N 3.04Å; A14-S17 PolarHBondContact O-OG 2.82Å; A14-E18 PolarHBondContact O-N 2.78Å
15	E	87.4	Confident	86.3	Confident	94 Å²	94	66.2 Å²	66.2	44%	0.439	37%	0.366	S	S	.	.	H	α-helix	trans	-60.4	-38.1	178	-66.4	158.9	123.1	0	0	112	L11 S12 S17 E18 E19	L11-E15 HydrophobicContact CB-CB 4.08Å; L11-E15 HydrophobicContact CD2-CB 4.32Å; S12-E15 WeakPolarHBondContact CA-OE2 3.41Å; S12-E15 WeakPolarHBondContact CB-OE2 3.38Å; S12-E15 PolarHBondContact N-OE2 2.85Å; S12-E15 WeakPolarHBondContact OG-CG 3.48Å; S12-E15 PolarHBondContact OG-N 3.21Å; S12-E15 PolarHBondContact OG-OE2 3.28Å; E15-S17 VanDerWaalsContact C-N 3.3Å; E15-S17 PolarHBondContact O-N 2.97Å; E15-E18 PolarHBondContact O-N 2.89Å; E15-E19 WeakPolarHBondContact O-CG 3.38Å; E15-E19 PolarHBondContact O-N 2.88Å
16	L	88	Confident	86	Confident	0 Å²	0	74 Å²	74	0%	0	40%	0.398	C	S	.	.	H	α-helix	trans	-63.3	-36.2	173.1	-171	66	0	0	0	111.4	L8 S12 A14 F20 I30 R35 E39 L42	L8-L16 HydrophobicContact CB-CD1 4.24Å; L8-L16 HydrophobicContact CD2-CD1 4.05Å; S12-L16 VanDerWaalsContact O-CB 3.25Å; S12-L16 WeakPolarHBondContact O-CB 3.34Å; S12-L16 PolarHBondContact O-N 3.48Å; A14-L16 VanDerWaalsContact C-N 3.29Å; A14-L16 PolarHBondContact O-N 2.9Å; L16-F20 WeakPolarHBondContact O-CD2 3.04Å; L16-F20 PolarHBondContact O-N 3.31Å; L16-I30 HydrophobicContact CB-CD1 4.17Å; L16-I30 HydrophobicContact CD2-CD1 4.17Å; L16-I30 HydrophobicContact CD2-CG2 4.35Å; L16-I30 HydrophobicContact CG-CD1 4.13Å; L16-R35 HydrophobicContact CD2-CG 3.99Å; L16-E39 HydrophobicContact CD1-CG 4.48Å; L16-E39 HydrophobicContact CD2-CG 3.98Å; L16-L42 HydrophobicContact CD1-CD2 3.86Å
17	S	85.5	Confident	85.7	Confident	48 Å²	48	71.4 Å²	71.4	34%	0.336	38%	0.384	S	S	.	.	H	α-helix	trans	-69.4	-35.4	174	80.5	0	0	0	0	112.7	A13 A14 E15 F20 V21	A13-S17 PolarHBondContact O-N 3.22Å; A14-S17 CarbonylContact O-C 3.57Å; A14-S17 WeakPolarHBondContact O-CA 3.43Å; A14-S17 WeakPolarHBondContact O-CB 3.45Å; A14-S17 PolarHBondContact O-N 3.04Å; A14-S17 PolarHBondContact O-OG 2.82Å; E15-S17 VanDerWaalsContact C-N 3.3Å; E15-S17 PolarHBondContact O-N 2.97Å; S17-F20 WeakPolarHBondContact O-CB 3.17Å; S17-F20 PolarHBondContact O-N 2.97Å; S17-V21 PolarHBondContact O-N 3.19Å
18	E	85.6	Confident	85.2	Confident	106 Å²	106	67.2 Å²	67.2	50%	0.495	38%	0.377	S	S	.	.	H	α-helix	trans	-67.5	-40.9	174.2	-70.1	-173.9	-169.4	0	0	112.4	A14 E15 F20 V21 R22	A14-E18 PolarHBondContact O-N 2.78Å; E15-E18 PolarHBondContact O-N 2.89Å; E18-F20 PolarHBondContact O-N 3.46Å; E18-V21 PolarHBondContact O-N 3.39Å; E18-V21 VanDerWaalsContact O-N 3.13Å; E18-R22 VanDerWaalsContact O-CB 3.32Å; E18-R22 WeakPolarHBondContact O-CB 3Å; E18-R22 PolarHBondContact O-N 3.05Å; E18-R22 IonicContact OE2-NH2 3.93Å
19	E	87.3	Confident	84.9	Confident	24 Å²	24	72.5 Å²	72.5	11%	0.112	41%	0.412	C	S	.	.	H	α-helix	trans	-63.1	-31.2	173.4	-69.1	-88.2	-123.8	0	0	111.8	R7 L11 E15 R22 A23 L42	R7-E19 IonicContact CZ-OE1 3.78Å; R7-E19 IonicContact NE-OE1 3.72Å; R7-E19 IonicContact NH2-OE1 2.72Å; R7-E19 PolarHBondContact NH2-OE1 3.4Å; L11-E19 HydrophobicContact CD1-CG 3.78Å; E15-E19 WeakPolarHBondContact O-CG 3.38Å; E15-E19 PolarHBondContact O-N 2.88Å; E19-R22 VanDerWaalsContact CD-NH1 3.31Å; E19-R22 IonicContact OE2-CZ 2.62Å; E19-R22 IonicContact OE2-NH1 3.3Å; E19-R22 PolarHBondContact OE2-NH1 2.91Å; E19-A23 WeakPolarHBondContact O-CB 3.43Å; E19-A23 PolarHBondContact O-N 3.24Å; E19-A23 VanDerWaalsContact O-N 3.14Å; E19-L42 HydrophobicContact CB-CD2 3.59Å
20	F	90.8	Very high	84.8	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-65.5	-44	170.5	-100.3	-93	0	0	0	112.1	L16 S17 E18 A23 D24 L25 C27 Y38 K41 L42	L16-F20 WeakPolarHBondContact O-CD2 3.04Å; L16-F20 PolarHBondContact O-N 3.31Å; S17-F20 WeakPolarHBondContact O-CB 3.17Å; S17-F20 PolarHBondContact O-N 2.97Å; E18-F20 PolarHBondContact O-N 3.46Å; F20-A23 PolarHBondContact O-N 2.84Å; F20-D24 PolarHBondContact O-N 2.9Å; F20-L25 CarbonylContact C-O 3.53Å; F20-L25 HydrophobicContact CD1-CB 3.45Å; F20-L25 VanDerWaalsContact CD1-CB 3.45Å; F20-L25 HydrophobicContact CD1-CD1 4.12Å; F20-L25 HydrophobicContact CD1-CG 4.46Å; F20-L25 HydrophobicContact CE1-CB 3.95Å; F20-L25 HydrophobicContact CE1-CD1 3.99Å; F20-L25 HydrophobicContact CG-CB 4.38Å; F20-L25 PolarHBondContact O-N 3.12Å; F20-C27 HydrophobicContact CB-CB 3.87Å; F20-C27 HydrophobicContact CD1-CB 3.76Å; F20-C27 HydrophobicContact CG-CB 3.81Å; F20-Y38 HydrophobicContact CE1-CD1 4.06Å; F20-Y38 HydrophobicContact CE2-CD1 4.17Å; F20-Y38 HydrophobicContact CE2-CG 4.36Å; F20-Y38 WeakPolarHBondContact CE2-O 3.3Å; F20-Y38 AromaticContact CZ-CD1 3.67Å; F20-Y38 HydrophobicContact CZ-CD1 3.67Å; F20-Y38 HydrophobicContact CZ-CG 4.25Å; F20-Y38 VanDerWaalsContact CZ-O 3.3Å; F20-Y38 WeakPolarHBondContact CZ-O 3.31Å; F20-K41 HydrophobicContact CE1-CD 3.85Å; F20-K41 HydrophobicContact CE1-CG 4.21Å; F20-K41 HydrophobicContact CZ-CB 4.11Å; F20-K41 HydrophobicContact CZ-CD 4.09Å; F20-K41 HydrophobicContact CZ-CG 4.18Å; F20-L42 HydrophobicContact CD2-CB 4.16Å; F20-L42 HydrophobicContact CD2-CD2 3.94Å; F20-L42 HydrophobicContact CD2-CG 4.46Å; F20-L42 HydrophobicContact CE2-CB 3.55Å; F20-L42 HydrophobicContact CE2-CD2 4.06Å; F20-L42 HydrophobicContact CE2-CG 4.31Å; F20-L42 HydrophobicContact CZ-CB 3.82Å
21	V	86.8	Confident	84.9	Confident	109 Å²	109	67.3 Å²	67.3	66%	0.661	38%	0.376	S	S	*	.	H	α-helix	trans	-64.2	-43	174.6	174.2	0	0	0	0	111.1	S17 E18 A23 D24	S17-V21 PolarHBondContact O-N 3.19Å; E18-V21 PolarHBondContact O-N 3.39Å; E18-V21 VanDerWaalsContact O-N 3.13Å; V21-A23 PolarHBondContact O-N 3.25Å; V21-D24 PolarHBondContact O-N 3.37Å
22	R	84.1	Confident	84.5	Confident	160 Å²	160	71.2 Å²	71.2	60%	0.604	41%	0.406	S	S	*	.	H	α-helix	trans	-63.3	-20.4	177.9	-166.3	176.6	-64.8	118.5	5.5	113.4	E18 E19	E18-R22 VanDerWaalsContact O-CB 3.32Å; E18-R22 WeakPolarHBondContact O-CB 3Å; E18-R22 PolarHBondContact O-N 3.05Å; E18-R22 IonicContact OE2-NH2 3.93Å; E19-R22 VanDerWaalsContact CD-NH1 3.31Å; E19-R22 IonicContact OE2-CZ 2.62Å; E19-R22 IonicContact OE2-NH1 3.3Å; E19-R22 PolarHBondContact OE2-NH1 2.91Å
23	A	83.1	Confident	84.3	Confident	16 Å²	16	74.6 Å²	74.6	13%	0.132	43%	0.425	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	10.4	174.3	0	0	0	0	0	113.9	E19 F20 V21 L25 L42	E19-A23 WeakPolarHBondContact O-CB 3.43Å; E19-A23 PolarHBondContact O-N 3.24Å; E19-A23 VanDerWaalsContact O-N 3.14Å; F20-A23 PolarHBondContact O-N 2.84Å; V21-A23 PolarHBondContact O-N 3.25Å; A23-L25 HydrophobicContact CB-CD1 4.07Å; A23-L25 HydrophobicContact CB-CG 3.97Å; A23-L25 WeakPolarHBondContact O-CG 3Å; A23-L25 PolarHBondContact O-N 2.85Å; A23-L42 HydrophobicContact CB-CD1 3.9Å
24	D	83.7	Confident	84.3	Confident	161 Å²	161	74.9 Å²	74.9	86%	0.861	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	26.6	-173.3	-87.4	-44.8	0	0	0	114.4	F20 V21	F20-D24 PolarHBondContact O-N 2.9Å; V21-D24 PolarHBondContact O-N 3.37Å
25	L	82.5	Confident	84.5	Confident	39 Å²	39	75.5 Å²	75.5	20%	0.204	41%	0.413	C	S	.	.			trans	-100.2	118.3	-178	-61.8	-179.4	0	0	0	111.7	F20 A23 C27 L42 V45	F20-L25 CarbonylContact C-O 3.53Å; F20-L25 HydrophobicContact CD1-CB 3.45Å; F20-L25 VanDerWaalsContact CD1-CB 3.45Å; F20-L25 HydrophobicContact CD1-CD1 4.12Å; F20-L25 HydrophobicContact CD1-CG 4.46Å; F20-L25 HydrophobicContact CE1-CB 3.95Å; F20-L25 HydrophobicContact CE1-CD1 3.99Å; F20-L25 HydrophobicContact CG-CB 4.38Å; F20-L25 PolarHBondContact O-N 3.12Å; A23-L25 HydrophobicContact CB-CD1 4.07Å; A23-L25 HydrophobicContact CB-CG 3.97Å; A23-L25 WeakPolarHBondContact O-CG 3Å; A23-L25 PolarHBondContact O-N 2.85Å; L25-C27 PolarHBondContact O-N 2.61Å; L25-L42 HydrophobicContact CD1-CD1 4.14Å; L25-V45 HydrophobicContact CD1-CB 4.11Å; L25-V45 HydrophobicContact CD1-CG1 4.32Å; L25-V45 HydrophobicContact CD1-CG2 3.83Å; L25-V45 HydrophobicContact CD2-CG2 4.32Å
26	K	80.8	Confident	84.5	Confident	198 Å²	198	72.9 Å²	72.9	86%	0.861	41%	0.407	S	S	*	.			trans	-61.1	122.6	169.3	-64.1	-172.2	179.7	-176	0	110.9	K41	K26-K41 PolarHBondContact O-NZ 3.25Å
27	C	81.6	Confident	84.5	Confident	46 Å²	46	76.9 Å²	76.9	31%	0.311	43%	0.432	S	S	.	.			trans	-111.3	153.4	175	-157.4	0	0	0	0	110.3	F20 L25 Y38	F20-C27 HydrophobicContact CB-CB 3.87Å; F20-C27 HydrophobicContact CD1-CB 3.76Å; F20-C27 HydrophobicContact CG-CB 3.81Å; L25-C27 PolarHBondContact O-N 2.61Å; C27-Y38 WeakPolarHBondContact SG-CD1 3.47Å; C27-Y38 WeakPolarHBondContact SG-CE1 3.36Å
28	G	77.6	Confident	84.8	Confident	30 Å²	30	76.8 Å²	76.8	31%	0.309	42%	0.424	S	S	.	.			trans	-103.6	-172.2	169.1	0	0	0	0	0	110.4	I30 Y38	G28-I30 PolarHBondContact O-N 2.65Å; G28-Y38 WeakPolarHBondContact CA-OH 3.39Å; G28-Y38 PolarHBondContact N-OH 3.19Å; G28-Y38 VanDerWaalsContact N-OH 3.13Å
29	P	80.6	Confident	85.1	Confident	111 Å²	111	72.4 Å²	72.4	72%	0.721	40%	0.404	S	S	*	.			trans	-59.2	122.2	175	24.1	-33	0	0	0	111.3	T31 T34	P29-T31 PolarHBondContact O-N 3.4Å; P29-T34 PolarHBondContact O-OG1 3.23Å
30	I	86.4	Confident	85.2	Confident	30 Å²	30	77.2 Å²	77.2	15%	0.154	42%	0.421	C	S	.	.			trans	-84.6	103	178.4	-61	172.4	0	0	0	108	A13 L16 G28 R35 Y38	A13-I30 HydrophobicContact CB-CB 4.36Å; A13-I30 HydrophobicContact CB-CG2 4.06Å; L16-I30 HydrophobicContact CB-CD1 4.17Å; L16-I30 HydrophobicContact CD2-CD1 4.17Å; L16-I30 HydrophobicContact CD2-CG2 4.35Å; L16-I30 HydrophobicContact CG-CD1 4.13Å; G28-I30 PolarHBondContact O-N 2.65Å; I30-R35 HydrophobicContact CG2-CB 4.1Å; I30-R35 HydrophobicContact CG2-CG 3.93Å; I30-Y38 HydrophobicContact CG1-CD2 3.94Å; I30-Y38 HydrophobicContact CG1-CE2 4.26Å; I30-Y38 HydrophobicContact CG1-CG 4.48Å
31	T	85.2	Confident	85.1	Confident	64 Å²	64	81.2 Å²	81.2	39%	0.393	44%	0.438	S	S	.	.			trans	-106	169.2	175.4	63.7	0	0	0	0	109.7	P29 T33 T34 R35	P29-T31 PolarHBondContact O-N 3.4Å; T31-T33 PolarHBondContact O-N 3.12Å; T31-T33 PolarHBondContact OG1-OG1 3.32Å; T31-T34 PolarHBondContact N-OG1 3.03Å; T31-T34 PolarHBondContact O-N 3.08Å; T31-T34 VanDerWaalsContact O-N 3.13Å; T31-T34 PolarHBondContact O-OG1 3.27Å; T31-T34 PolarHBondContact OG1-N 3.43Å; T31-T34 PolarHBondContact OG1-OG1 3.27Å; T31-T34 VanDerWaalsContact OG1-OG1 3.1Å; T31-R35 WeakPolarHBondContact O-CB 3.24Å; T31-R35 PolarHBondContact O-N 3.15Å
32	S	79.9	Confident	85.2	Confident	115 Å²	115	76 Å²	76	80%	0.804	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-36.9	176.7	50.1	0	0	0	0	113.1
33	T	83.4	Confident	85.5	Confident	117 Å²	117	68.5 Å²	68.5	72%	0.718	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-27.6	179.5	56	0	0	0	0	113.6	T31	T31-T33 PolarHBondContact O-N 3.12Å; T31-T33 PolarHBondContact OG1-OG1 3.32Å
34	T	85.9	Confident	85.7	Confident	45 Å²	45	75.3 Å²	75.3	28%	0.276	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-22.7	-179.3	61.4	0	0	0	0	114.1	P29 T31 A36 T37 Y38	P29-T34 PolarHBondContact O-OG1 3.23Å; T31-T34 PolarHBondContact N-OG1 3.03Å; T31-T34 PolarHBondContact O-N 3.08Å; T31-T34 VanDerWaalsContact O-N 3.13Å; T31-T34 PolarHBondContact O-OG1 3.27Å; T31-T34 PolarHBondContact OG1-N 3.43Å; T31-T34 PolarHBondContact OG1-OG1 3.27Å; T31-T34 VanDerWaalsContact OG1-OG1 3.1Å; T34-A36 PolarHBondContact O-N 2.83Å; T34-T37 WeakPolarHBondContact O-CB 3.28Å; T34-T37 PolarHBondContact O-N 3.34Å; T34-Y38 WeakPolarHBondContact O-CD2 3.46Å; T34-Y38 PolarHBondContact O-N 2.8Å
35	R	89.1	Confident	85.8	Confident	73 Å²	73	70 Å²	70	28%	0.275	37%	0.374	S	S	.	.	H	α-helix	trans	-49.8	-54.6	-173.7	-162.2	-160.6	-162	109.7	-8.9	114.1	L11 L16 I30 T31 T37 Y38 E39	L11-R35 PolarHBondContact O-NH2 3.08Å; L16-R35 HydrophobicContact CD2-CG 3.99Å; I30-R35 HydrophobicContact CG2-CB 4.1Å; I30-R35 HydrophobicContact CG2-CG 3.93Å; T31-R35 WeakPolarHBondContact O-CB 3.24Å; T31-R35 PolarHBondContact O-N 3.15Å; R35-T37 PolarHBondContact O-N 2.72Å; R35-T37 VanDerWaalsContact O-N 3.13Å; R35-Y38 WeakPolarHBondContact O-CA 3.5Å; R35-Y38 WeakPolarHBondContact O-CB 3.28Å; R35-Y38 PolarHBondContact O-N 2.65Å; R35-E39 WeakPolarHBondContact CD-OE1 3.31Å; R35-E39 VanDerWaalsContact CG-OE1 3.31Å; R35-E39 WeakPolarHBondContact CG-OE1 3.44Å; R35-E39 IonicContact NE-OE1 3.82Å; R35-E39 PolarHBondContact NE-OE1 3.44Å; R35-E39 WeakPolarHBondContact O-CG 3.32Å; R35-E39 PolarHBondContact O-N 3.29Å
36	A	87.5	Confident	85.8	Confident	39 Å²	39	69.4 Å²	69.4	32%	0.322	37%	0.371	S	S	.	.	H	α-helix	trans	-63.5	-22.8	-176.6	0	0	0	0	0	113.5	T34 R40	T34-A36 PolarHBondContact O-N 2.83Å; A36-R40 WeakPolarHBondContact O-CB 3.33Å; A36-R40 VanDerWaalsContact O-CZ 3.23Å; A36-R40 PolarHBondContact O-N 3.27Å; A36-R40 PolarHBondContact O-NE 3.03Å; A36-R40 VanDerWaalsContact O-NE 3.17Å; A36-R40 PolarHBondContact O-NH2 3.24Å
37	T	88.1	Confident	85.7	Confident	84 Å²	84	61.3 Å²	61.3	52%	0.515	34%	0.341	S	S	.	.	H	α-helix	trans	-79.7	-35.4	173.7	-60.9	0	0	0	0	111.3	T34 R35 K41	T34-T37 WeakPolarHBondContact O-CB 3.28Å; T34-T37 PolarHBondContact O-N 3.34Å; R35-T37 PolarHBondContact O-N 2.72Å; R35-T37 VanDerWaalsContact O-N 3.13Å; T37-K41 WeakPolarHBondContact O-CB 3.35Å; T37-K41 PolarHBondContact O-N 2.68Å; T37-K41 VanDerWaalsContact O-N 3.08Å
38	Y	90.6	Very high	85.1	Confident	46 Å²	46	61.3 Å²	61.3	18%	0.18	35%	0.349	C	S	.	.	H	α-helix	trans	-69.9	-44.6	172.2	-73.4	-61	0	0	0	112.1	F20 C27 G28 I30 T34 R35 R40 K41 L42	F20-Y38 HydrophobicContact CE1-CD1 4.06Å; F20-Y38 HydrophobicContact CE2-CD1 4.17Å; F20-Y38 HydrophobicContact CE2-CG 4.36Å; F20-Y38 WeakPolarHBondContact CE2-O 3.3Å; F20-Y38 AromaticContact CZ-CD1 3.67Å; F20-Y38 HydrophobicContact CZ-CD1 3.67Å; F20-Y38 HydrophobicContact CZ-CG 4.25Å; F20-Y38 VanDerWaalsContact CZ-O 3.3Å; F20-Y38 WeakPolarHBondContact CZ-O 3.31Å; C27-Y38 WeakPolarHBondContact SG-CD1 3.47Å; C27-Y38 WeakPolarHBondContact SG-CE1 3.36Å; G28-Y38 WeakPolarHBondContact CA-OH 3.39Å; G28-Y38 PolarHBondContact N-OH 3.19Å; G28-Y38 VanDerWaalsContact N-OH 3.13Å; I30-Y38 HydrophobicContact CG1-CD2 3.94Å; I30-Y38 HydrophobicContact CG1-CE2 4.26Å; I30-Y38 HydrophobicContact CG1-CG 4.48Å; T34-Y38 WeakPolarHBondContact O-CD2 3.46Å; T34-Y38 PolarHBondContact O-N 2.8Å; R35-Y38 WeakPolarHBondContact O-CA 3.5Å; R35-Y38 WeakPolarHBondContact O-CB 3.28Å; R35-Y38 PolarHBondContact O-N 2.65Å; Y38-R40 PolarHBondContact O-N 2.85Å; Y38-K41 WeakPolarHBondContact O-CA 3.38Å; Y38-K41 WeakPolarHBondContact O-CB 3.49Å; Y38-K41 PolarHBondContact O-N 2.87Å; Y38-L42 PolarHBondContact O-N 3.26Å
39	E	91.4	Very high	84.4	Confident	13 Å²	13	64.8 Å²	64.8	6%	0.061	36%	0.357	C	S	.	.	H	α-helix	trans	-52.3	-51.1	171.5	-69.5	165	-168.4	0	0	111.5	L5 L8 K9 L16 R35 K41 L42 A43	L5-E39 HydrophobicContact CD2-CB 4.44Å; L8-E39 HydrophobicContact CB-CG 4.43Å; K9-E39 WeakPolarHBondContact CG-OE2 3.13Å; L16-E39 HydrophobicContact CD1-CG 4.48Å; L16-E39 HydrophobicContact CD2-CG 3.98Å; R35-E39 WeakPolarHBondContact CD-OE1 3.31Å; R35-E39 VanDerWaalsContact CG-OE1 3.31Å; R35-E39 WeakPolarHBondContact CG-OE1 3.44Å; R35-E39 IonicContact NE-OE1 3.82Å; R35-E39 PolarHBondContact NE-OE1 3.44Å; R35-E39 WeakPolarHBondContact O-CG 3.32Å; R35-E39 PolarHBondContact O-N 3.29Å; E39-K41 PolarHBondContact O-N 2.98Å; E39-L42 PolarHBondContact O-N 2.84Å; E39-A43 VanDerWaalsContact O-CB 3.3Å; E39-A43 WeakPolarHBondContact O-CB 3.12Å; E39-A43 PolarHBondContact O-N 2.75Å
40	R	90	Very high	83.2	Confident	125 Å²	125	65 Å²	65	47%	0.472	35%	0.348	S	S	.	.	H	α-helix	trans	-71.2	-7	175.9	-79.7	-179.4	-84.4	112.3	-2.2	114.9	L5 A36 Y38 R44	L5-R40 HydrophobicContact CD2-CG 3.85Å; A36-R40 WeakPolarHBondContact O-CB 3.33Å; A36-R40 VanDerWaalsContact O-CZ 3.23Å; A36-R40 PolarHBondContact O-N 3.27Å; A36-R40 PolarHBondContact O-NE 3.03Å; A36-R40 VanDerWaalsContact O-NE 3.17Å; A36-R40 PolarHBondContact O-NH2 3.24Å; Y38-R40 PolarHBondContact O-N 2.85Å; R40-R44 PolarHBondContact O-NE 2.98Å; R40-R44 PolarHBondContact O-NH2 2.83Å
41	K	88.8	Confident	81.5	Confident	85 Å²	85	66.3 Å²	66.3	37%	0.37	37%	0.369	S	S	.	.	H	α-helix	trans	-92	-47.2	171.6	177.3	-177	173.3	-164.1	0	110.1	F20 K26 T37 Y38 E39 R44	F20-K41 HydrophobicContact CE1-CD 3.85Å; F20-K41 HydrophobicContact CE1-CG 4.21Å; F20-K41 HydrophobicContact CZ-CB 4.11Å; F20-K41 HydrophobicContact CZ-CD 4.09Å; F20-K41 HydrophobicContact CZ-CG 4.18Å; K26-K41 PolarHBondContact O-NZ 3.25Å; T37-K41 WeakPolarHBondContact O-CB 3.35Å; T37-K41 PolarHBondContact O-N 2.68Å; T37-K41 VanDerWaalsContact O-N 3.08Å; Y38-K41 WeakPolarHBondContact O-CA 3.38Å; Y38-K41 WeakPolarHBondContact O-CB 3.49Å; Y38-K41 PolarHBondContact O-N 2.87Å; E39-K41 PolarHBondContact O-N 2.98Å; K41-R44 PolarHBondContact O-N 3.24Å
42	L	88.9	Confident	79.5	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-67.9	-44.4	178.9	179.8	62.2	0	0	0	112.6	L8 L16 E19 F20 A23 L25 Y38 E39 R44 V45 L46	L8-L42 HydrophobicContact CD1-CB 3.94Å; L8-L42 HydrophobicContact CD1-CD2 3.78Å; L8-L42 HydrophobicContact CD1-CG 3.81Å; L8-L42 HydrophobicContact CD2-CD2 3.57Å; L8-L42 HydrophobicContact CD2-CG 4.34Å; L8-L42 HydrophobicContact CG-CD2 4.33Å; L16-L42 HydrophobicContact CD1-CD2 3.86Å; E19-L42 HydrophobicContact CB-CD2 3.59Å; F20-L42 HydrophobicContact CD2-CB 4.16Å; F20-L42 HydrophobicContact CD2-CD2 3.94Å; F20-L42 HydrophobicContact CD2-CG 4.46Å; F20-L42 HydrophobicContact CE2-CB 3.55Å; F20-L42 HydrophobicContact CE2-CD2 4.06Å; F20-L42 HydrophobicContact CE2-CG 4.31Å; F20-L42 HydrophobicContact CZ-CB 3.82Å; A23-L42 HydrophobicContact CB-CD1 3.9Å; L25-L42 HydrophobicContact CD1-CD1 4.14Å; Y38-L42 PolarHBondContact O-N 3.26Å; E39-L42 PolarHBondContact O-N 2.84Å; L42-R44 PolarHBondContact O-N 2.92Å; L42-R44 VanDerWaalsContact O-N 3.12Å; L42-V45 PolarHBondContact O-N 3.17Å; L42-L46 HydrophobicContact CD1-CD1 4.13Å; L42-L46 HydrophobicContact CD1-CD2 4.49Å; L42-L46 HydrophobicContact CD1-CG 4.06Å; L42-L46 HydrophobicContact CD2-CD1 4.5Å; L42-L46 HydrophobicContact CG-CD1 3.91Å; L42-L46 HydrophobicContact CG-CG 4.26Å; L42-L46 PolarHBondContact O-N 3.45Å
43	A	90.4	Very high	77.7	Confident	1 Å²	1	66.1 Å²	66.1	1%	0.008	37%	0.37	C	S	.	.	H	α-helix	trans	-58.6	-28.2	178.2	0	0	0	0	0	113.7	V4 L5 L8 E39 A47	V4-A43 HydrophobicContact CB-CB 4.47Å; V4-A43 HydrophobicContact CG1-CB 4.06Å; L5-A43 HydrophobicContact CD2-CB 3.49Å; L5-A43 VanDerWaalsContact CD2-CB 3.49Å; L5-A43 HydrophobicContact CG-CB 3.73Å; L8-A43 HydrophobicContact CD1-CB 3.97Å; E39-A43 VanDerWaalsContact O-CB 3.3Å; E39-A43 WeakPolarHBondContact O-CB 3.12Å; E39-A43 PolarHBondContact O-N 2.75Å; A43-A47 WeakPolarHBondContact O-CB 3.37Å; A43-A47 PolarHBondContact O-N 2.91Å; A43-A47 VanDerWaalsContact O-N 3.16Å
44	R	87.1	Confident	75.7	Confident	160 Å²	160	65 Å²	65	60%	0.604	37%	0.372	S	S	*	.	H	α-helix	trans	-78.2	-23	175.9	-86.2	-175.7	-72.8	180	-3.9	113.7	M1 R40 K41 L42	M1-R44 HydrophobicContact CE-CG 3.96Å; M1-R44 HydrophobicContact SD-CG 4.24Å; R40-R44 PolarHBondContact O-NE 2.98Å; R40-R44 PolarHBondContact O-NH2 2.83Å; K41-R44 PolarHBondContact O-N 3.24Å; L42-R44 PolarHBondContact O-N 2.92Å; L42-R44 VanDerWaalsContact O-N 3.12Å
45	V	85.8	Confident	73.4	Confident	48 Å²	48	66.6 Å²	66.6	29%	0.291	39%	0.39	S	S	.	.	H	α-helix	trans	-84.5	-47.4	175	176.8	0	0	0	0	110	L25 L42 A47 G48 Q49	L25-V45 HydrophobicContact CD1-CB 4.11Å; L25-V45 HydrophobicContact CD1-CG1 4.32Å; L25-V45 HydrophobicContact CD1-CG2 3.83Å; L25-V45 HydrophobicContact CD2-CG2 4.32Å; L42-V45 PolarHBondContact O-N 3.17Å; V45-A47 PolarHBondContact O-N 3.12Å; V45-G48 WeakPolarHBondContact O-CA 3.28Å; V45-G48 PolarHBondContact O-N 2.95Å; V45-Q49 PolarHBondContact O-N 3.49Å
46	L	82.2	Confident	70.8	Confident	28 Å²	28	71 Å²	71	15%	0.147	41%	0.414	C	S	.	.	H	α-helix	trans	-58.9	-49	177	-64.5	176.8	0	0	0	112.1	V4 L8 L42 G48 Q49 E50	V4-L46 HydrophobicContact CG1-CB 4.16Å; V4-L46 HydrophobicContact CG1-CD1 3.94Å; L8-L46 HydrophobicContact CD1-CD1 4.49Å; L8-L46 HydrophobicContact CD2-CD1 4.45Å; L42-L46 HydrophobicContact CD1-CD1 4.13Å; L42-L46 HydrophobicContact CD1-CD2 4.49Å; L42-L46 HydrophobicContact CD1-CG 4.06Å; L42-L46 HydrophobicContact CD2-CD1 4.5Å; L42-L46 HydrophobicContact CG-CD1 3.91Å; L42-L46 HydrophobicContact CG-CG 4.26Å; L42-L46 PolarHBondContact O-N 3.45Å; L46-G48 PolarHBondContact O-N 3.24Å; L46-Q49 PolarHBondContact O-N 2.97Å; L46-Q49 VanDerWaalsContact O-N 3.1Å; L46-E50 PolarHBondContact O-N 2.88Å; L46-E50 VanDerWaalsContact O-N 3.07Å
47	A	80.2	Confident	68.1	Low	28 Å²	28	75.6 Å²	75.6	23%	0.231	44%	0.438	C	S	.	.	H	α-helix	trans	-67.7	-14.5	175.8	0	0	0	0	0	113.7	A43 V45	A43-A47 WeakPolarHBondContact O-CB 3.37Å; A43-A47 PolarHBondContact O-N 2.91Å; A43-A47 VanDerWaalsContact O-N 3.16Å; V45-A47 PolarHBondContact O-N 3.12Å
48	G	68.5	Low	65.3	Low	46 Å²	46	79.7 Å²	79.7	47%	0.474	46%	0.457	S	S	.	.	H	α-helix	trans	-82.2	-34.2	170.9	0	0	0	0	0	112.8	V45 L46	V45-G48 WeakPolarHBondContact O-CA 3.28Å; V45-G48 PolarHBondContact O-N 2.95Å; L46-G48 PolarHBondContact O-N 3.24Å
49	Q	62.3	Low	62.3	Low	102 Å²	102	82.7 Å²	82.7	48%	0.477	49%	0.485	S	S	.	.	H	α-helix	trans	-74.2	-40.6	176.5	-71.5	172	-64.8	0	0	111.9	V45 L46 G51 A52 V53	V45-Q49 PolarHBondContact O-N 3.49Å; L46-Q49 PolarHBondContact O-N 2.97Å; L46-Q49 VanDerWaalsContact O-N 3.1Å; Q49-G51 PolarHBondContact O-N 3.02Å; Q49-A52 PolarHBondContact O-N 3Å; Q49-V53 PolarHBondContact O-N 3.21Å
50	E	55.6	Low	59.3	Low	115 Å²	115	87.3 Å²	87.3	54%	0.537	52%	0.518	S	S	.	.	H	α-helix	trans	-55.9	-38.5	173.9	-71.1	173.4	161.2	0	0	111.9	L46 A52	L46-E50 PolarHBondContact O-N 2.88Å; L46-E50 VanDerWaalsContact O-N 3.07Å; E50-A52 VanDerWaalsContact C-N 3.3Å; E50-A52 PolarHBondContact O-N 3.34Å
51	G	50.5	Low	56.2	Low	58 Å²	58	87.2 Å²	87.2	60%	0.598	54%	0.535	S	S	*	.	H	α-helix	trans	-72.9	-12.9	176.9	0	0	0	0	0	115.6	Q49	Q49-G51 PolarHBondContact O-N 3.02Å
52	A	42.7	Very low	53.2	Low	65 Å²	65	87.7 Å²	87.7	54%	0.537	55%	0.549	S	S	.	.	H	α-helix	trans	-93.6	-32.5	178.1	0	0	0	0	0	112.7	Q49 E50	Q49-A52 PolarHBondContact O-N 3Å; E50-A52 VanDerWaalsContact C-N 3.3Å; E50-A52 PolarHBondContact O-N 3.34Å
53	V	42.9	Very low	50.3	Low	111 Å²	111	92.5 Å²	92.5	67%	0.673	58%	0.583	S	S	*	*	H	α-helix	trans	-76	-29	-179.7	-177.9	0	0	0	0	111.8	Q49 A55	Q49-V53 PolarHBondContact O-N 3.21Å; V53-A55 PolarHBondContact O-N 3.46Å; V53-A55 VanDerWaalsContact O-N 3.13Å
54	A	40.4	Very low	47.2	Very low	93 Å²	93	101 Å²	101	77%	0.769	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	4.9	179.7	0	0	0	0	0	115.4
55	A	37.7	Very low	44.3	Very low	79 Å²	79	99.3 Å²	99.3	65%	0.653	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104	-10.6	-178.1	0	0	0	0	0	114.4	V53	V53-A55 PolarHBondContact O-N 3.46Å; V53-A55 VanDerWaalsContact O-N 3.13Å
56	E	34.9	Very low	41.4	Very low	166 Å²	166	102.4 Å²	102.4	78%	0.776	65%	0.649	S	S	*	*	S	Bend	trans	-126.8	47.1	-169.5	-75.8	-74.1	175.3	0	0	111.8
57	T	31.5	Very low	38.6	Very low	134 Å²	134	107.6 Å²	107.6	82%	0.822	68%	0.677	S	S	*	*			trans	-167.2	91.3	159.7	2.7	0	0	0	0	111.6
58	D	28.2	Very low	36	Very low	171 Å²	171	111.5 Å²	111.5	91%	0.914	70%	0.702	S	S	*	*			trans	-140.4	91.7	168.4	-144.1	-9.2	0	0	0	109.7
59	S	28.5	Very low	34	Very low	109 Å²	109	113.7 Å²	113.7	76%	0.762	72%	0.716	S	S	*	*			trans	-152.9	109.6	177.6	-170	0	0	0	0	113.7
60	S	29.3	Very low	32.4	Very low	109 Å²	109	113.9 Å²	113.9	76%	0.762	74%	0.735	S	S	*	*			trans	69.8	124.7	150.2	71	0	0	0	0	121.5
61	C	24.6	Very low	30.9	Very low	124 Å²	124	114 Å²	114	84%	0.838	75%	0.749	S	S	*	*			trans	82.3	103.8	142.3	-142.3	0	0	0	0	121.3
62	S	26	Very low	29.8	Very low	95 Å²	95	121.1 Å²	121.1	66%	0.664	76%	0.764	S	S	*	*			trans	-48.3	166	160.7	67.1	0	0	0	0	119
63	S	26.2	Very low	29.1	Very low	101 Å²	101	123.5 Å²	123.5	71%	0.706	78%	0.776	S	S	*	*			trans	102.9	141	133.6	-61.1	0	0	0	0	120.7
64	Q	26.4	Very low	28.3	Very low	178 Å²	178	127.4 Å²	127.4	83%	0.832	78%	0.784	S	S	*	*			trans	85.8	114.3	164.9	-52.7	-157.9	-5	0	0	117.2
65	V	25.2	Very low	28.3	Very low	126 Å²	126	128.8 Å²	128.8	76%	0.764	79%	0.785	S	S	*	*				49.4	134.7	88.6	-110.1	0	0	0	0	113.5
66	T	25.2	Very low	27.8	Very low	112 Å²	112	129.8 Å²	129.8	69%	0.687	79%	0.793	S	S	*	*			cis	-150.8	160.8	30.6	51.7	0	0	0	0	116.1
67	D	24.2	Very low	27.4	Very low	137 Å²	137	126.7 Å²	126.7	73%	0.733	80%	0.796	S	S	*	*			trans	57.4	123.2	136.2	-63.4	-18.2	0	0	0	125.6
68	S	25.9	Very low	27	Very low	110 Å²	110	123.6 Å²	123.6	77%	0.769	79%	0.791	S	S	*	*				75.9	125.5	120.7	-62.4	0	0	0	0	124.8
69	A	26.4	Very low	26.9	Very low	93 Å²	93	120.1 Å²	120.1	77%	0.769	79%	0.786	S	S	*	*			trans	76.6	91.1	131.4	0	0	0	0	0	122
70	A	27.4	Very low	26.8	Very low	105 Å²	105	120.8 Å²	120.8	87%	0.868	79%	0.786	S	S	*	*				62.4	126.2	118.8	0	0	0	0	0	122.4
71	S	25.8	Very low	26.8	Very low	118 Å²	118	121.2 Å²	121.2	83%	0.825	79%	0.789	S	S	*	*			trans	-149	165.8	145.3	60.7	0	0	0	0	112.3
72	F	26.3	Very low	26.9	Very low	208 Å²	208	119.2 Å²	119.2	91%	0.912	78%	0.781	S	S	*	*			trans	-74.3	172.4	-169.5	-65.1	-108	0	0	0	112.9
73	S	27.2	Very low	27.1	Very low	114 Å²	114	120.9 Å²	120.9	80%	0.797	79%	0.787	S	S	*	*			cis	-157.7	165.7	22.7	47.3	0	0	0	0	115.4
74	K	27.4	Very low	27.2	Very low	193 Å²	193	121.2 Å²	121.2	84%	0.839	79%	0.789	S	S	*	*			trans	-66.9	178.3	162	-104.3	179.6	176.1	177	0	112.4
75	P	40.6	Very low	27.2	Very low	123 Å²	123	121.2 Å²	121.2	80%	0.799	79%	0.794	S	S	*	*			cis	-117.8	-141.6	14.9	27.5	-1.6	0	0	0	112.4
76	A	26.2	Very low	27.3	Very low	99 Å²	99	123.7 Å²	123.7	82%	0.818	80%	0.797	S	S	*	*			cis	-158.3	-161.9	9	0	0	0	0	0	114
77	A	26.9	Very low	27.5	Very low	102 Å²	102	123.8 Å²	123.8	84%	0.843	80%	0.802	S	S	*	*			trans	-109.8	178.4	175.6	0	0	0	0	0	110.7
78	G	23.1	Very low	27.7	Very low	69 Å²	69	123.4 Å²	123.4	71%	0.711	81%	0.805	S	S	*	*			cis	132.6	153	0	0	0	0	0	0	112.5
79	A	26.8	Very low	27.7	Very low	97 Å²	97	122.8 Å²	122.8	80%	0.802	81%	0.806	S	S	*	*			trans	68.2	157.4	176.8	0	0	0	0	0	116.3
80	T	26	Very low	27.8	Very low	124 Å²	124	122.3 Å²	122.3	76%	0.761	80%	0.802	S	S	*	*			cis	-169.1	151.8	-15.6	22.5	0	0	0	0	110
81	S	28.5	Very low	27.9	Very low	118 Å²	118	122.6 Å²	122.6	83%	0.825	80%	0.798	S	S	*	*			trans	65.3	162.3	150.9	-65.1	0	0	0	0	119.5
82	A	27.6	Very low	28	Very low	81 Å²	81	122.3 Å²	122.3	67%	0.669	80%	0.796	S	S	*	*			cis	-172.4	-177.6	-25.8	0	0	0	0	0	109.5
83	V	30.6	Very low	28	Very low	130 Å²	130	117.8 Å²	117.8	79%	0.788	79%	0.79	S	S	*	*			trans	72.2	113.7	166.4	-169.2	0	0	0	0	114.2
84	S	26.6	Very low	28	Very low	109 Å²	109	117.4 Å²	117.4	76%	0.762	79%	0.788	S	S	*	*			cis	85.3	129.7	45.5	-58	0	0	0	0	115.2
85	L	27.3	Very low	27.9	Very low	178 Å²	178	114.4 Å²	114.4	93%	0.932	79%	0.786	S	S	*	*			trans	-165.3	154.1	150.2	-110.1	167.8	0	0	0	110.5
86	E	27	Very low	27.3	Very low	177 Å²	177	113.7 Å²	113.7	83%	0.827	78%	0.784	S	S	*	*			trans	-126.9	-170.2	-167.4	-58.7	178.7	99.1	0	0	113.1
87	S	29.7	Very low	27.3	Very low	114 Å²	114	117.9 Å²	117.9	80%	0.797	79%	0.786	S	S	*	*			trans	102.6	147.7	152.2	84.1	0	0	0	0	118.2
88	V	28.1	Very low	27.3	Very low	130 Å²	130	123.7 Å²	123.7	79%	0.788	79%	0.786	S	S	*	*			cis	-164.5	140.9	-15.8	124.3	0	0	0	0	110.8
89	A	27.1	Very low	27.5	Very low	96 Å²	96	127.6 Å²	127.6	79%	0.793	79%	0.791	S	S	*	*			trans	38.2	178	153	0	0	0	0	0	122.3
90	A	28.7	Very low	27.5	Very low	84 Å²	84	126.6 Å²	126.6	69%	0.694	79%	0.79	S	S	*	*			cis	-156.6	147	0.7	0	0	0	0	0	115.2
91	S	27.8	Very low	27.8	Very low	110 Å²	110	130.2 Å²	130.2	77%	0.769	80%	0.798	S	S	*	*			trans	24.4	131.8	144.1	61.6	0	0	0	0	127
92	S	28.3	Very low	27.9	Very low	113 Å²	113	132.4 Å²	132.4	79%	0.79	80%	0.8	S	S	*	*			trans	175.7	137	136.2	27.8	0	0	0	0	109.8
93	S	26.9	Very low	28.1	Very low	112 Å²	112	136.8 Å²	136.8	78%	0.783	81%	0.812	S	S	*	*				62.8	131	60.5	69.5	0	0	0	0	115.2
94	S	26.5	Very low	28.1	Very low	107 Å²	107	137.4 Å²	137.4	75%	0.748	81%	0.81	S	S	*	*			cis	-168.3	155.1	5.9	51	0	0	0	0	114.9
95	T	26	Very low	28.2	Very low	130 Å²	130	140.6 Å²	140.6	80%	0.798	81%	0.811	S	S	*	*			trans	23.5	125.7	147	-43.6	0	0	0	0	123.2
96	S	26.9	Very low	28.3	Very low	108 Å²	108	134.7 Å²	134.7	76%	0.755	79%	0.793	S	S	*	*				168.2	137.6	115.4	52.5	0	0	0	0	118.9
97	Q	27.2	Very low	28.6	Very low	186 Å²	186	136.2 Å²	136.2	87%	0.869	79%	0.793	S	S	*	*			trans	50.4	105.7	144.4	-63.9	-173	-4.3	0	0	125.6
98	R	26.2	Very low	28.6	Very low	225 Å²	225	133.7 Å²	133.7	85%	0.849	79%	0.785	S	S	*	*				63	105.8	108.4	-166.5	-169.4	-178.9	163.2	4.5	122.6
99	N	27.3	Very low	28.8	Very low	151 Å²	151	134.7 Å²	134.7	81%	0.807	79%	0.791	S	S	*	*				-172.5	143.8	120.2	-89.2	-18.2	0	0	0	107.8
100	G	27.4	Very low	28.9	Very low	75 Å²	75	133.5 Å²	133.5	77%	0.773	79%	0.789	S	S	*	*				74	119.1	92	0	0	0	0	0	110.9
101	E	31.5	Very low	28.9	Very low	200 Å²	200	138 Å²	138	94%	0.935	80%	0.8	S	S	*	*			cis	-143.3	161.7	27.3	-69.4	157.1	178.8	0	0	112.3
102	D	31.1	Very low	28.8	Very low	164 Å²	164	139.7 Å²	139.7	88%	0.877	80%	0.8	S	S	*	*			trans	-93	147.3	179.3	-71.5	-60.9	0	0	0	113.3
103	L	32.5	Very low	29.8	Very low	174 Å²	174	139.3 Å²	139.3	91%	0.911	80%	0.795	S	S	*	*			trans	-139.6	107.1	162.7	-97.5	171.6	0	0	0	111.4
104	D	29.5	Very low	30.4	Very low	142 Å²	142	139.5 Å²	139.5	76%	0.759	79%	0.794	S	S	*	*			trans	-81.3	150.6	169.9	173.7	34.1	0	0	0	111.1	G106	D104-G106 PolarHBondContact OD1-N 3.03Å
105	F	28.6	Very low	30.7	Very low	176 Å²	176	141.6 Å²	141.6	77%	0.772	80%	0.796	S	S	*	*			trans	-157.2	66.5	168.3	-137.4	-89.9	0	0	0	113.9	Y107	F105-Y107 AromaticContact CD1-CD2 3.92Å; F105-Y107 HydrophobicContact CD1-CD2 3.92Å; F105-Y107 HydrophobicContact CD1-CE2 4.25Å; F105-Y107 AromaticContact CE1-CD2 3.49Å; F105-Y107 HydrophobicContact CE1-CD2 3.49Å; F105-Y107 VanDerWaalsContact CE1-CD2 3.49Å; F105-Y107 AromaticContact CE1-CE2 3.5Å; F105-Y107 HydrophobicContact CE1-CE2 3.5Å; F105-Y107 VanDerWaalsContact CE1-CE2 3.5Å; F105-Y107 HydrophobicContact CZ-CD2 4.19Å; F105-Y107 AromaticContact CZ-CE2 3.71Å; F105-Y107 HydrophobicContact CZ-CE2 3.71Å
106	G	30.8	Very low	31	Very low	55 Å²	55	144.1 Å²	144.1	57%	0.567	80%	0.799	S	S	*	*			trans	-79	148.8	161.5	0	0	0	0	0	112.8	D104	D104-G106 PolarHBondContact OD1-N 3.03Å
107	Y	32.1	Very low	31.2	Very low	208 Å²	208	147.7 Å²	147.7	82%	0.816	80%	0.804	S	S	*	*			trans	-145.2	152	169.3	-106.7	-86.1	0	0	0	112.5	F105	F105-Y107 AromaticContact CD1-CD2 3.92Å; F105-Y107 HydrophobicContact CD1-CD2 3.92Å; F105-Y107 HydrophobicContact CD1-CE2 4.25Å; F105-Y107 AromaticContact CE1-CD2 3.49Å; F105-Y107 HydrophobicContact CE1-CD2 3.49Å; F105-Y107 VanDerWaalsContact CE1-CD2 3.49Å; F105-Y107 AromaticContact CE1-CE2 3.5Å; F105-Y107 HydrophobicContact CE1-CE2 3.5Å; F105-Y107 VanDerWaalsContact CE1-CE2 3.5Å; F105-Y107 HydrophobicContact CZ-CD2 4.19Å; F105-Y107 AromaticContact CZ-CE2 3.71Å; F105-Y107 HydrophobicContact CZ-CE2 3.71Å
108	G	29.8	Very low	31.4	Very low	62 Å²	62	146.5 Å²	146.5	64%	0.639	80%	0.798	S	S	*	*			trans	-157.7	172.7	174.7	0	0	0	0	0	112.9
109	V	32.6	Very low	31.5	Very low	151 Å²	151	142.6 Å²	142.6	92%	0.915	79%	0.793	S	S	*	*			trans	44.9	101.9	164	-164.6	0	0	0	0	116.8
110	G	28.8	Very low	31.4	Very low	71 Å²	71	140.8 Å²	140.8	73%	0.732	79%	0.792	S	S	*	*			trans	-72.8	-175.3	-179.5	0	0	0	0	0	117.4
111	L	28.6	Very low	31.4	Very low	179 Å²	179	140.4 Å²	140.4	94%	0.937	79%	0.788	S	S	*	*			trans	-164.7	168.9	165.4	-98.6	177.3	0	0	0	109.4
112	N	26.6	Very low	31.2	Very low	145 Å²	145	140.7 Å²	140.7	78%	0.775	79%	0.786	S	S	*	*			trans	-170.8	148.7	-179.7	-172	58.7	0	0	0	110.2
113	P	48.8	Very low	31	Very low	104 Å²	104	137 Å²	137	68%	0.675	77%	0.773	S	S	*	*			cis	-101.9	-138.2	-28.5	41.2	-25.7	0	0	0	109.2
114	P	40.1	Very low	30.7	Very low	116 Å²	116	135.2 Å²	135.2	75%	0.753	76%	0.764	S	S	*	*			cis	-132.4	-172.9	30.9	43.8	-25	0	0	0	116.4
115	D	32.3	Very low	30.5	Very low	151 Å²	151	136.9 Å²	136.9	81%	0.807	77%	0.765	S	S	*	*			trans	-85.3	163.2	174.3	-42.6	-96.5	0	0	0	114.3
116	E	31.8	Very low	30.5	Very low	184 Å²	184	135.1 Å²	135.1	86%	0.86	76%	0.764	S	S	*	*			trans	-169.8	125.9	137.8	-71.4	-147.6	155.2	0	0	106.9
117	E	31	Very low	30.2	Very low	183 Å²	183	137.2 Å²	137.2	86%	0.855	77%	0.77	S	S	*	*				70.1	152.9	81.1	-65.1	-160.1	174.6	0	0	117.4
118	E	31.3	Very low	29.9	Very low	160 Å²	160	132.8 Å²	132.8	75%	0.748	77%	0.769	S	S	*	*			cis	-107.6	-118	-11.5	-160	-144.1	120.9	0	0	110.2	S120	E118-S120 PolarHBondContact OE1-N 3.38Å
119	I	28.4	Very low	29.7	Very low	144 Å²	144	134.1 Å²	134.1	74%	0.738	78%	0.775	S	S	*	*			cis	-147.3	141.6	-7.7	-162.2	165.8	0	0	0	114
120	S	26.1	Very low	29.3	Very low	112 Å²	112	134.7 Å²	134.7	78%	0.783	77%	0.772	S	S	*	*			trans	73	137.4	166.1	-159.4	0	0	0	0	118.6	E118	E118-S120 PolarHBondContact OE1-N 3.38Å
121	G	26.5	Very low	29.1	Very low	67 Å²	67	136.2 Å²	136.2	69%	0.691	77%	0.771	S	S	*	*			cis	-172.2	178.7	2.9	0	0	0	0	0	116.3
122	K	28.2	Very low	29	Very low	207 Å²	207	133 Å²	133	90%	0.9	76%	0.764	S	S	*	*			trans	-69.3	166.3	-176.1	-66.5	173.3	-176.6	174.2	0	114.4
123	S	26.8	Very low	28.8	Very low	87 Å²	87	131.1 Å²	131.1	61%	0.608	76%	0.761	S	S	*	*			cis	-172.9	174.9	-20.5	51.3	0	0	0	0	110.1
124	D	25.6	Very low	27.8	Very low	135 Å²	135	130.7 Å²	130.7	72%	0.722	76%	0.761	S	S	*	*			trans	85.6	133.4	149.9	-58.8	-44.4	0	0	0	125
125	F	26.4	Very low	27.2	Very low	177 Å²	177	133 Å²	133	78%	0.776	76%	0.762	S	S	*	*			trans	52.9	107.7	152.1	-68.7	-63	0	0	0	126
126	N	27.4	Very low	26.9	Very low	140 Å²	140	135.2 Å²	135.2	75%	0.749	76%	0.764	S	S	*	*				68.8	133.4	122.2	-82.2	0.9	0	0	0	126.1
127	S	25.4	Very low	26.7	Very low	98 Å²	98	136.5 Å²	136.5	69%	0.685	77%	0.767	S	S	*	*			trans	75.5	95.2	135	66.4	0	0	0	0	123.3
128	S	24.7	Very low	26.6	Very low	115 Å²	115	132.3 Å²	132.3	80%	0.804	76%	0.764	S	S	*	*				70.9	157.3	116.6	69.2	0	0	0	0	123.1
129	A	25.9	Very low	26.5	Very low	91 Å²	91	134.2 Å²	134.2	75%	0.752	77%	0.773	S	S	*	*			trans	77.2	152.9	172.9	0	0	0	0	0	115.6
130	D	25.1	Very low	26.6	Very low	162 Å²	162	134 Å²	134	87%	0.866	78%	0.778	S	S	*	*			cis	-140.4	178.5	14.3	-141.6	-26.5	0	0	0	115.1
131	C	23.8	Very low	27	Very low	104 Å²	104	134 Å²	134	70%	0.703	78%	0.775	S	S	*	*			trans	-129.6	144.8	-167.4	172.9	0	0	0	0	113.4
132	S	26.3	Very low	27.1	Very low	112 Å²	112	136.2 Å²	136.2	78%	0.783	78%	0.781	S	S	*	*			trans	-167.5	137.5	156.1	-86.4	0	0	0	0	109.8
133	S	23.4	Very low	27.6	Very low	104 Å²	104	135.8 Å²	135.8	73%	0.727	78%	0.778	S	S	*	*			cis	74.1	123.9	38	-166.7	0	0	0	0	112.4
134	S	27.2	Very low	28	Very low	95 Å²	95	137.4 Å²	137.4	66%	0.664	79%	0.787	S	S	*	*			cis	-167	-174.2	-0.1	46.6	0	0	0	0	112
135	Q	28	Very low	28.3	Very low	166 Å²	166	135.5 Å²	135.5	78%	0.776	79%	0.79	S	S	*	*			trans	103.5	110.2	155.3	-53.8	-160.8	-1.6	0	0	121.1
136	F	25.6	Very low	28.9	Very low	196 Å²	196	136.2 Å²	136.2	86%	0.86	80%	0.796	S	S	*	*			trans	29.3	120.2	134.4	-64.1	-83.3	0	0	0	121.3
137	K	28.1	Very low	29.6	Very low	212 Å²	212	134.2 Å²	134.2	92%	0.922	80%	0.799	S	S	*	*				-161	172	82.5	-121.3	176.6	-178.1	179.9	0	111.5
138	A	28.4	Very low	30.7	Very low	94 Å²	94	133.9 Å²	133.9	78%	0.777	80%	0.797	S	S	*	*			trans	-111.9	135.1	-177.8	0	0	0	0	0	111.7
139	E	29.5	Very low	32.3	Very low	201 Å²	201	130.8 Å²	130.8	94%	0.939	77%	0.774	S	S	*	*			trans	-156	122.2	159.7	-119.3	167.2	-133.4	0	0	109.2
140	T	30.7	Very low	34.3	Very low	138 Å²	138	131.9 Å²	131.9	85%	0.847	77%	0.771	S	S	*	*			trans	-92.7	137.3	164.4	23	0	0	0	0	108
141	P	35	Very low	37	Very low	113 Å²	113	128.7 Å²	128.7	73%	0.734	75%	0.75	S	S	*	*				-151.3	173.3	85	40.4	-23.4	0	0	0	117.5
142	S	27.5	Very low	40	Very low	114 Å²	114	125.8 Å²	125.8	80%	0.797	72%	0.724	S	S	*	*			trans	81.2	144	156.9	79.9	0	0	0	0	119.4
143	K	38.6	Very low	42.9	Very low	197 Å²	197	122.2 Å²	122.2	86%	0.857	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-73.2	140.5	174.9	-76.5	176.2	172.2	178.6	0	111.3
144	P	34.4	Very low	46	Very low	121 Å²	121	117.2 Å²	117.2	79%	0.786	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-84.7	157.5	131.6	-17.6	33.2	0	0	0	110.6
145	A	32.5	Very low	48.7	Very low	96 Å²	96	112.7 Å²	112.7	79%	0.793	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-68.5	147.3	-178.1	0	0	0	0	0	112.5	A147	A145-A147 PolarHBondContact O-N 2.92Å; A145-A147 VanDerWaalsContact O-N 3.1Å
146	Q	39.2	Very low	51.4	Low	192 Å²	192	105.7 Å²	105.7	90%	0.897	60%	0.596	S	S	*	*			trans	-65.5	108.2	164.3	-72	172.3	-58.4	0	0	108.6	S148	Q146-S148 VanDerWaalsContact C-N 3.32Å; Q146-S148 PolarHBondContact O-N 3.46Å
147	A	42.5	Very low	53.7	Low	98 Å²	98	97.4 Å²	97.4	81%	0.81	56%	0.562	S	S	*	*			trans	-67.9	96.3	157.5	0	0	0	0	0	107.4	A145	A145-A147 PolarHBondContact O-N 2.92Å; A145-A147 VanDerWaalsContact O-N 3.1Å
148	S	48.5	Very low	55.7	Low	91 Å²	91	91.4 Å²	91.4	64%	0.636	54%	0.54	S	S	*	.			trans	-58.8	125.5	175.8	50.5	0	0	0	0	109.3	Q146 T150	Q146-S148 VanDerWaalsContact C-N 3.32Å; Q146-S148 PolarHBondContact O-N 3.46Å; S148-T150 PolarHBondContact O-N 3.24Å
149	P	59.1	Low	57	Low	50 Å²	50	95.1 Å²	95.1	33%	0.325	53%	0.534	S	S	.	.			trans	-59.8	128.9	-179.5	25.2	-33.6	0	0	0	109	F151 Y152 T173	P149-F151 PolarHBondContact O-N 3.07Å; P149-Y152 HydrophobicContact CG-CD1 4.45Å; P149-Y152 HydrophobicContact CG-CE1 3.7Å; P149-Y152 HydrophobicContact CG-CE2 4.32Å; P149-T173 HydrophobicContact CB-CG2 4.39Å; P149-T173 HydrophobicContact CG-CG2 3.91Å
150	T	67.9	Low	58.1	Low	113 Å²	113	90.2 Å²	90.2	69%	0.693	51%	0.511	S	S	*	.	S	Bend	trans	-62.3	-22.2	-169.3	-34.3	0	0	0	0	113	S148	S148-T150 PolarHBondContact O-N 3.24Å
151	F	81.5	Confident	59.1	Low	95 Å²	95	87.8 Å²	87.8	42%	0.417	49%	0.493	S	S	.	.			trans	-142.2	145.4	175.9	-61	-79.7	0	0	0	111.5	P149 Y153 F193 T194	P149-F151 PolarHBondContact O-N 3.07Å; F151-Y153 HydrophobicContact CB-CE2 4.36Å; F151-F193 CarbonylContact C-O 3.56Å; F151-F193 VanDerWaalsContact CA-O 3.23Å; F151-F193 WeakPolarHBondContact CA-O 3.21Å; F151-T194 HydrophobicContact CD1-CG2 3.98Å; F151-T194 HydrophobicContact CE1-CG2 3.72Å
152	Y	86.7	Confident	60.1	Low	43 Å²	43	84.8 Å²	84.8	17%	0.169	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	147	168.4	-63.3	-87.7	0	0	0	109.7	P149 V171 T173 A192 F193 R196	P149-Y152 HydrophobicContact CG-CD1 4.45Å; P149-Y152 HydrophobicContact CG-CE1 3.7Å; P149-Y152 HydrophobicContact CG-CE2 4.32Å; Y152-V171 HydrophobicContact CD1-CG1 4.42Å; Y152-T173 HydrophobicContact CD1-CG2 4.47Å; Y152-T173 HydrophobicContact CE1-CG2 4.34Å; Y152-A192 CarbonylContact O-C 3.6Å; Y152-A192 WeakPolarHBondContact O-CA 3.38Å; Y152-F193 PolarHBondContact N-O 3.44Å; Y152-F193 PolarHBondContact O-N 2.91Å; Y152-R196 HydrophobicContact CD1-CB 3.81Å; Y152-R196 HydrophobicContact CD1-CG 3.9Å; Y152-R196 HydrophobicContact CD2-CB 3.9Å; Y152-R196 HydrophobicContact CE1-CB 3.81Å; Y152-R196 HydrophobicContact CE1-CG 4.02Å; Y152-R196 HydrophobicContact CE2-CB 3.91Å; Y152-R196 HydrophobicContact CG-CB 3.84Å; Y152-R196 HydrophobicContact CG-CG 4.31Å
153	Y	87.1	Confident	61.3	Low	37 Å²	37	86.3 Å²	86.3	15%	0.145	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	97.5	-164.9	-73.1	-64.2	0	0	0	110.4	F151 V171 Y172 T173 K175 A178 F190 A192	F151-Y153 HydrophobicContact CB-CE2 4.36Å; Y153-V171 WeakPolarHBondContact O-CA 3.44Å; Y153-Y172 WeakPolarHBondContact CB-O 3.17Å; Y153-Y172 PolarHBondContact N-O 2.91Å; Y153-Y172 PolarHBondContact O-N 3.22Å; Y153-T173 VanDerWaalsContact CD2-O 3.31Å; Y153-T173 WeakPolarHBondContact CD2-O 3.42Å; Y153-T173 VanDerWaalsContact CE2-O 3.31Å; Y153-T173 WeakPolarHBondContact CE2-O 3.34Å; Y153-K175 HydrophobicContact CD2-CB 4.42Å; Y153-K175 HydrophobicContact CE1-CB 4.12Å; Y153-K175 HydrophobicContact CE1-CD 4.39Å; Y153-K175 HydrophobicContact CE1-CG 4.12Å; Y153-K175 HydrophobicContact CE2-CB 3.93Å; Y153-A178 HydrophobicContact CG-CB 4.48Å; Y153-F190 AromaticContact CD1-CE2 3.57Å; Y153-F190 HydrophobicContact CD1-CE2 3.57Å; Y153-F190 AromaticContact CD1-CZ 3.47Å; Y153-F190 HydrophobicContact CD1-CZ 3.47Å; Y153-F190 VanDerWaalsContact CD1-CZ 3.47Å; Y153-F190 HydrophobicContact CE1-CZ 4.1Å; Y153-F190 HydrophobicContact CG-CE2 4.06Å; Y153-F190 HydrophobicContact CG-CZ 4.24Å; Y153-A192 HydrophobicContact CD1-CB 3.75Å; Y153-A192 HydrophobicContact CE1-CB 3.59Å
154	G	88	Confident	61.9	Low	0 Å²	0	80.5 Å²	80.5	0%	0	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	129.8	-178.3	0	0	0	0	0	112.2	F190 K191 F202	G154-F190 WeakPolarHBondContact O-CA 3.5Å; G154-F190 WeakPolarHBondContact O-CD2 3.36Å; G154-K191 PolarHBondContact N-O 3.43Å; G154-K191 PolarHBondContact O-N 3.39Å; G154-F202 WeakPolarHBondContact O-CD1 3.5Å; G154-F202 VanDerWaalsContact O-CE1 3.31Å; G154-F202 WeakPolarHBondContact O-CE1 3.47Å
155	V	84.8	Confident	62.6	Low	0 Å²	0	82.4 Å²	82.4	0%	0	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	122.3	174.8	-178.9	0	0	0	0	108.5	H170 Y172 A178 A181 V182 M185 A188 F190 S203	V155-H170 HydrophobicContact CB-CB 4.17Å; V155-H170 PolarHBondContact N-O 3.07Å; V155-H170 WeakPolarHBondContact O-CB 3.33Å; V155-Y172 HydrophobicContact CB-CE2 4.42Å; V155-Y172 HydrophobicContact CG2-CD2 4.17Å; V155-Y172 HydrophobicContact CG2-CE2 3.96Å; V155-A178 HydrophobicContact CG2-CB 4.02Å; V155-A181 HydrophobicContact CG1-CB 4.48Å; V155-A181 HydrophobicContact CG2-CB 4.37Å; V155-V182 HydrophobicContact CG1-CG2 3.82Å; V155-V182 HydrophobicContact CG2-CG2 3.99Å; V155-M185 HydrophobicContact CG1-SD 3.94Å; V155-A188 HydrophobicContact CG1-CB 3.93Å; V155-F190 HydrophobicContact CG2-CD2 3.96Å; V155-S203 VanDerWaalsContact O-CA 3.27Å; V155-S203 WeakPolarHBondContact O-CA 3.1Å; V155-S203 VanDerWaalsContact O-CB 3.22Å; V155-S203 WeakPolarHBondContact O-CB 3.29Å
156	C	82.9	Confident	63.4	Low	18 Å²	18	85.4 Å²	85.4	12%	0.122	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	116.6	178.4	-177.3	0	0	0	0	109.2	A188 R189 F202	C156-A188 CarbonylContact O-C 3.54Å; C156-A188 WeakPolarHBondContact O-CA 3.5Å; C156-A188 WeakPolarHBondContact O-CB 3.28Å; C156-R189 PolarHBondContact N-O 3.16Å; C156-R189 PolarHBondContact O-N 3.47Å; C156-F202 HydrophobicContact CB-CD1 4.25Å; C156-F202 HydrophobicContact CB-CE1 3.97Å; C156-F202 HydrophobicContact CB-CZ 4.34Å; C156-F202 WeakPolarHBondContact CB-O 3.5Å
157	P	75.7	Confident	64	Low	22 Å²	22	82.4 Å²	82.4	14%	0.143	45%	0.446	C	S	.	.			trans	-59	168.5	170.4	-21.8	33.3	0	0	0	112.7	D161 V162 M185	P157-D161 HydrophobicContact CB-CB 4.25Å; P157-V162 HydrophobicContact CB-CG2 3.95Å; P157-V162 HydrophobicContact CG-CG2 4.34Å; P157-M185 HydrophobicContact CG-SD 4.12Å
158	L	68.6	Low	64.8	Low	86 Å²	86	80.6 Å²	80.6	45%	0.45	44%	0.436	S	S	.	.			trans	-67.6	145.5	171.8	-152.2	86.3	0	0	0	109.7	E160 D161 V162	L158-E160 PolarHBondContact O-N 2.93Å; L158-D161 PolarHBondContact O-N 2.85Å; L158-V162 PolarHBondContact O-N 3.11Å
159	W	55.8	Low	65.9	Low	173 Å²	173	77.9 Å²	77.9	66%	0.655	42%	0.419	S	S	*	.	H	α-helix	trans	-60.6	-25.2	-163.7	78.5	-80.2	0	0	0	115.6
160	E	52.7	Low	66.9	Low	97 Å²	97	78.1 Å²	78.1	45%	0.453	42%	0.416	S	S	.	.	H	α-helix	trans	-76.1	-26.6	176	-65.4	-168.2	99	0	0	113.3	L158 K231	L158-E160 PolarHBondContact O-N 2.93Å; E160-K231 IonicContact OE1-NZ 2.77Å; E160-K231 PolarHBondContact OE1-NZ 3.18Å
161	D	53.1	Low	67.7	Low	87 Å²	87	73.9 Å²	73.9	47%	0.465	39%	0.39	S	S	.	.	H	α-helix	trans	-77.2	-30	172.1	-87.4	-47.1	0	0	0	112.2	P157 L158 L163 A164 R165	P157-D161 HydrophobicContact CB-CB 4.25Å; L158-D161 PolarHBondContact O-N 2.85Å; D161-L163 PolarHBondContact O-N 3.47Å; D161-A164 PolarHBondContact O-N 3.46Å; D161-R165 PolarHBondContact O-N 2.9Å
162	V	55.4	Low	68	Low	50 Å²	50	72.3 Å²	72.3	30%	0.303	38%	0.382	S	S	.	.	H	α-helix	trans	-62.6	-24.9	-178.9	179.3	0	0	0	0	112.2	P157 L158	P157-V162 HydrophobicContact CB-CG2 3.95Å; P157-V162 HydrophobicContact CG-CG2 4.34Å; L158-V162 PolarHBondContact O-N 3.11Å
163	L	51.8	Low	67.9	Low	147 Å²	147	73.5 Å²	73.5	77%	0.77	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-10.7	174.5	-64.3	175.8	0	0	0	113.7	D161	D161-L163 PolarHBondContact O-N 3.47Å
164	A	51.4	Low	67.9	Low	74 Å²	74	76.1 Å²	76.1	61%	0.612	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	-15.6	-174.6	0	0	0	0	0	114	D161	D161-A164 PolarHBondContact O-N 3.46Å
165	R	48.8	Very low	67.7	Low	162 Å²	162	81.7 Å²	81.7	61%	0.611	43%	0.434	S	S	*	.			trans	-132.2	107.6	-177.8	-68.4	-177.8	178.5	-102.6	-0.7	112.8	D161 E167	D161-R165 PolarHBondContact O-N 2.9Å; R165-E167 IonicContact CZ-OE2 2.72Å; R165-E167 IonicContact NH1-OE2 3.75Å; R165-E167 PolarHBondContact NH1-OE2 3.41Å; R165-E167 PolarHBondContact O-N 3.17Å
166	T	49.1	Very low	67.8	Low	158 Å²	158	90.1 Å²	90.1	97%	0.969	47%	0.471	S	S	*	.			trans	-78.8	40.8	169.4	-32.4	0	0	0	0	112.1
167	E	52.1	Low	67.9	Low	130 Å²	130	93.2 Å²	93.2	61%	0.607	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-93.4	165.8	176.6	-66	-173.7	100.9	0	0	110.9	R165	R165-E167 IonicContact CZ-OE2 2.72Å; R165-E167 IonicContact NH1-OE2 3.75Å; R165-E167 PolarHBondContact NH1-OE2 3.41Å; R165-E167 PolarHBondContact O-N 3.17Å
168	G	60.2	Low	68.4	Low	60 Å²	60	92.2 Å²	92.2	62%	0.619	48%	0.48	S	S	*	.	P	Polyproline II helix	trans	-64.9	157.7	-164.9	0	0	0	0	0	115.6	H170	G168-H170 PolarHBondContact O-N 3.3Å; G168-H170 VanDerWaalsContact O-N 3.15Å
169	A	70.2	Confident	69.1	Low	34 Å²	34	91.7 Å²	91.7	28%	0.281	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-52.9	117	176.1	0	0	0	0	0	111.5	V171 E200 K204	A169-V171 VanDerWaalsContact C-N 3.26Å; A169-V171 PolarHBondContact O-N 2.97Å; A169-E200 HydrophobicContact CB-CB 4.11Å; A169-E200 HydrophobicContact CB-CG 3.8Å; A169-K204 VanDerWaalsContact CB-CE 3.46Å
170	H	81.2	Confident	70.5	Confident	54 Å²	54	90 Å²	90	25%	0.25	48%	0.476	C	S	.	.			trans	-75.7	77.9	179.8	-66.9	-56	0	0	0	111.2	V155 G168 Y172 M185 S203	V155-H170 HydrophobicContact CB-CB 4.17Å; V155-H170 PolarHBondContact N-O 3.07Å; V155-H170 WeakPolarHBondContact O-CB 3.33Å; G168-H170 PolarHBondContact O-N 3.3Å; G168-H170 VanDerWaalsContact O-N 3.15Å; H170-Y172 HydrophobicContact CB-CE2 4.12Å; H170-M185 VanDerWaalsContact CE1-CE 3.49Å; H170-M185 WeakPolarHBondContact CE1-CE 3.43Å; H170-M185 VanDerWaalsContact NE2-CE 3.35Å; H170-M185 WeakPolarHBondContact NE2-CE 3.26Å; H170-S203 PolarHBondContact N-OG 2.89Å; H170-S203 WeakPolarHBondContact O-CB 3.33Å
171	V	85.1	Confident	71.9	Confident	25 Å²	25	85.7 Å²	85.7	15%	0.152	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	125.5	177.3	178.1	0	0	0	0	110.6	Y152 Y153 A169 R196 A199 E200	Y152-V171 HydrophobicContact CD1-CG1 4.42Å; Y153-V171 WeakPolarHBondContact O-CA 3.44Å; A169-V171 VanDerWaalsContact C-N 3.26Å; A169-V171 PolarHBondContact O-N 2.97Å; V171-R196 HydrophobicContact CG1-CG 4.36Å; V171-A199 HydrophobicContact CB-CB 4.39Å; V171-A199 HydrophobicContact CG1-CB 3.68Å; V171-A199 HydrophobicContact CG2-CB 3.74Å; V171-A199 WeakPolarHBondContact CG2-O 3.26Å; V171-E200 HydrophobicContact CB-CG 4.13Å; V171-E200 HydrophobicContact CG2-CB 4.14Å; V171-E200 HydrophobicContact CG2-CG 3.52Å
172	Y	86.5	Confident	73.4	Confident	61 Å²	61	83.5 Å²	83.5	24%	0.239	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	153.4	-177.3	-53.9	-90.6	0	0	0	110.1	Y153 V155 H170 D177 A178 A181	Y153-Y172 WeakPolarHBondContact CB-O 3.17Å; Y153-Y172 PolarHBondContact N-O 2.91Å; Y153-Y172 PolarHBondContact O-N 3.22Å; V155-Y172 HydrophobicContact CB-CE2 4.42Å; V155-Y172 HydrophobicContact CG2-CD2 4.17Å; V155-Y172 HydrophobicContact CG2-CE2 3.96Å; H170-Y172 HydrophobicContact CB-CE2 4.12Å; Y172-D177 HydrophobicContact CD1-CB 3.75Å; Y172-D177 HydrophobicContact CE1-CB 4.4Å; Y172-D177 HydrophobicContact CG-CB 4.3Å; Y172-A178 HydrophobicContact CD2-CB 3.76Å; Y172-A178 HydrophobicContact CG-CB 4.11Å; Y172-A181 HydrophobicContact CE2-CB 3.87Å; Y172-A181 WeakPolarHBondContact OH-CB 3.44Å
173	T	86	Confident	74.8	Confident	69 Å²	69	90 Å²	90	42%	0.423	47%	0.471	S	S	.	.	S	Bend	trans	-83	-25	165.7	49.1	0	0	0	0	111.7	P149 Y152 Y153	P149-T173 HydrophobicContact CB-CG2 4.39Å; P149-T173 HydrophobicContact CG-CG2 3.91Å; Y152-T173 HydrophobicContact CD1-CG2 4.47Å; Y152-T173 HydrophobicContact CE1-CG2 4.34Å; Y153-T173 VanDerWaalsContact CD2-O 3.31Å; Y153-T173 WeakPolarHBondContact CD2-O 3.42Å; Y153-T173 VanDerWaalsContact CE2-O 3.31Å; Y153-T173 WeakPolarHBondContact CE2-O 3.34Å
174	D	85.4	Confident	76.1	Confident	91 Å²	91	88.1 Å²	88.1	49%	0.487	47%	0.466	S	S	.	.	S	Bend	trans	-114.1	131.7	-170.5	-75.3	-89.2	0	0	0	112.4	K176 D177 A178	D174-K176 VanDerWaalsContact C-N 3.25Å; D174-K176 PolarHBondContact O-N 2.83Å; D174-D177 PolarHBondContact O-N 3.05Å; D174-A178 PolarHBondContact O-N 3.41Å
175	K	85.3	Confident	77.4	Confident	118 Å²	118	86.5 Å²	86.5	51%	0.513	45%	0.446	S	S	.	.	H	α-helix	trans	-65.8	-27.6	-174.7	-171	176.3	176.5	-177.6	0	112.8	Y153 L179 F190	Y153-K175 HydrophobicContact CD2-CB 4.42Å; Y153-K175 HydrophobicContact CE1-CB 4.12Å; Y153-K175 HydrophobicContact CE1-CD 4.39Å; Y153-K175 HydrophobicContact CE1-CG 4.12Å; Y153-K175 HydrophobicContact CE2-CB 3.93Å; K175-L179 HydrophobicContact CG-CD1 4.14Å; K175-L179 WeakPolarHBondContact O-CB 3.39Å; K175-L179 WeakPolarHBondContact O-CD1 3.3Å; K175-L179 VanDerWaalsContact O-CG 3.24Å; K175-L179 WeakPolarHBondContact O-CG 3.44Å; K175-L179 PolarHBondContact O-N 2.97Å; K175-L179 VanDerWaalsContact O-N 3.15Å; K175-F190 HydrophobicContact CG-CZ 4.34Å
176	K	87.1	Confident	78.5	Confident	176 Å²	176	88.3 Å²	88.3	77%	0.765	46%	0.459	S	S	*	.	H	α-helix	trans	-67.6	-49.8	179.6	-68	-178.4	179.8	177.6	0	110.4	D174 A178 L179 Q180	D174-K176 VanDerWaalsContact C-N 3.25Å; D174-K176 PolarHBondContact O-N 2.83Å; K176-A178 PolarHBondContact O-N 3.49Å; K176-L179 CarbonylContact O-C 3.48Å; K176-L179 PolarHBondContact O-N 3.36Å; K176-L179 VanDerWaalsContact O-N 3.12Å; K176-Q180 PolarHBondContact O-N 3.34Å
177	D	84.9	Confident	79.6	Confident	84 Å²	84	83.1 Å²	83.1	45%	0.449	44%	0.437	S	S	.	.	H	α-helix	trans	-64.5	-42.5	-177.6	-54.9	17.9	0	0	0	111	Y172 D174 L179 Q180 A181	Y172-D177 HydrophobicContact CD1-CB 3.75Å; Y172-D177 HydrophobicContact CE1-CB 4.4Å; Y172-D177 HydrophobicContact CG-CB 4.3Å; D174-D177 PolarHBondContact O-N 3.05Å; D177-L179 PolarHBondContact O-N 3.02Å; D177-Q180 WeakPolarHBondContact O-CB 3.45Å; D177-Q180 PolarHBondContact O-N 3.02Å; D177-Q180 VanDerWaalsContact O-N 3.14Å; D177-A181 PolarHBondContact O-N 2.84Å
178	A	85.4	Confident	81	Confident	0 Å²	0	77.6 Å²	77.6	0%	0	41%	0.413	C	S	.	.	H	α-helix	trans	-59.4	-43.1	171.9	0	0	0	0	0	112.5	Y153 V155 Y172 D174 K176 Q180 A181 V182 F190	Y153-A178 HydrophobicContact CG-CB 4.48Å; V155-A178 HydrophobicContact CG2-CB 4.02Å; Y172-A178 HydrophobicContact CD2-CB 3.76Å; Y172-A178 HydrophobicContact CG-CB 4.11Å; D174-A178 PolarHBondContact O-N 3.41Å; K176-A178 PolarHBondContact O-N 3.49Å; A178-Q180 VanDerWaalsContact C-N 3.31Å; A178-Q180 PolarHBondContact O-N 3.38Å; A178-A181 PolarHBondContact O-N 2.95Å; A178-V182 WeakPolarHBondContact O-CG2 3.36Å; A178-V182 PolarHBondContact O-N 2.99Å; A178-F190 HydrophobicContact CB-CD2 4.13Å; A178-F190 HydrophobicContact CB-CE2 3.66Å; A178-F190 HydrophobicContact CB-CZ 4.15Å
179	L	83.7	Confident	82	Confident	75 Å²	75	83.8 Å²	83.8	39%	0.393	42%	0.418	S	S	.	.	H	α-helix	trans	-70.1	-26.6	176	-72.3	171	0	0	0	112.8	K175 K176 D177 K183 F190	K175-L179 HydrophobicContact CG-CD1 4.14Å; K175-L179 WeakPolarHBondContact O-CB 3.39Å; K175-L179 WeakPolarHBondContact O-CD1 3.3Å; K175-L179 VanDerWaalsContact O-CG 3.24Å; K175-L179 WeakPolarHBondContact O-CG 3.44Å; K175-L179 PolarHBondContact O-N 2.97Å; K175-L179 VanDerWaalsContact O-N 3.15Å; K176-L179 CarbonylContact O-C 3.48Å; K176-L179 PolarHBondContact O-N 3.36Å; K176-L179 VanDerWaalsContact O-N 3.12Å; D177-L179 PolarHBondContact O-N 3.02Å; L179-K183 WeakPolarHBondContact O-CG 3.38Å; L179-K183 PolarHBondContact O-N 3.05Å; L179-K183 VanDerWaalsContact O-N 3.13Å; L179-F190 HydrophobicContact CD2-CD1 3.89Å; L179-F190 HydrophobicContact CD2-CE1 3.87Å; L179-F190 HydrophobicContact CG-CE1 4.24Å
180	Q	85.5	Confident	82.7	Confident	137 Å²	137	85.2 Å²	85.2	64%	0.64	42%	0.418	S	S	*	.	H	α-helix	trans	-71.2	-39.8	171.5	-173	165.9	-14.7	0	0	111.3	K176 D177 A178 K183 T184	K176-Q180 PolarHBondContact O-N 3.34Å; D177-Q180 WeakPolarHBondContact O-CB 3.45Å; D177-Q180 PolarHBondContact O-N 3.02Å; D177-Q180 VanDerWaalsContact O-N 3.14Å; A178-Q180 VanDerWaalsContact C-N 3.31Å; A178-Q180 PolarHBondContact O-N 3.38Å; Q180-K183 WeakPolarHBondContact O-CB 3.25Å; Q180-K183 PolarHBondContact O-N 3.46Å; Q180-T184 PolarHBondContact O-N 3.35Å; Q180-T184 VanDerWaalsContact O-N 3.12Å
181	A	81.4	Confident	83	Confident	7 Å²	7	87.6 Å²	87.6	6%	0.058	43%	0.428	C	S	.	.	H	α-helix	trans	-63.9	-39.1	171.9	0	0	0	0	0	112.6	V155 Y172 D177 A178 K183 T184 M185	V155-A181 HydrophobicContact CG1-CB 4.48Å; V155-A181 HydrophobicContact CG2-CB 4.37Å; Y172-A181 HydrophobicContact CE2-CB 3.87Å; Y172-A181 WeakPolarHBondContact OH-CB 3.44Å; D177-A181 PolarHBondContact O-N 2.84Å; A178-A181 PolarHBondContact O-N 2.95Å; A181-K183 VanDerWaalsContact C-N 3.27Å; A181-K183 PolarHBondContact O-N 2.88Å; A181-T184 PolarHBondContact O-N 2.88Å; A181-T184 PolarHBondContact O-OG1 3.27Å; A181-M185 HydrophobicContact CB-CE 4.22Å; A181-M185 WeakPolarHBondContact O-CB 3.43Å; A181-M185 VanDerWaalsContact O-CG 3.31Å; A181-M185 WeakPolarHBondContact O-CG 3.19Å; A181-M185 PolarHBondContact O-N 3.47Å
182	V	84.2	Confident	83.1	Confident	41 Å²	41	88.6 Å²	88.6	25%	0.248	44%	0.438	C	S	.	.	H	α-helix	trans	-62.8	-33.3	172.1	174.1	0	0	0	0	112.1	V155 A178 F190	V155-V182 HydrophobicContact CG1-CG2 3.82Å; V155-V182 HydrophobicContact CG2-CG2 3.99Å; A178-V182 WeakPolarHBondContact O-CG2 3.36Å; A178-V182 PolarHBondContact O-N 2.99Å; V182-F190 HydrophobicContact CG2-CB 3.51Å; V182-F190 HydrophobicContact CG2-CG 4.09Å
183	K	84.9	Confident	83.1	Confident	186 Å²	186	87 Å²	87	81%	0.809	43%	0.433	S	S	*	.	H	α-helix	trans	-72.7	-30	176.3	-77	178.4	177	-171.6	0	113.2	L179 Q180 A181	L179-K183 WeakPolarHBondContact O-CG 3.38Å; L179-K183 PolarHBondContact O-N 3.05Å; L179-K183 VanDerWaalsContact O-N 3.13Å; Q180-K183 WeakPolarHBondContact O-CB 3.25Å; Q180-K183 PolarHBondContact O-N 3.46Å; A181-K183 VanDerWaalsContact C-N 3.27Å; A181-K183 PolarHBondContact O-N 2.88Å
184	T	79.8	Confident	83	Confident	108 Å²	108	89 Å²	89	66%	0.663	45%	0.445	S	S	*	.	H	α-helix	trans	-84.3	-29.7	175.7	55.2	0	0	0	0	112.8	Q180 A181	Q180-T184 PolarHBondContact O-N 3.35Å; Q180-T184 VanDerWaalsContact O-N 3.12Å; A181-T184 PolarHBondContact O-N 2.88Å; A181-T184 PolarHBondContact O-OG1 3.27Å
185	M	78.6	Confident	83	Confident	40 Å²	40	86 Å²	86	20%	0.197	43%	0.431	C	S	.	.	S	Bend	trans	-96.3	92.8	179.8	-60	169.1	-168.1	0	0	111.1	V155 P157 H170 A181 G187 A188	V155-M185 HydrophobicContact CG1-SD 3.94Å; P157-M185 HydrophobicContact CG-SD 4.12Å; H170-M185 VanDerWaalsContact CE1-CE 3.49Å; H170-M185 WeakPolarHBondContact CE1-CE 3.43Å; H170-M185 VanDerWaalsContact NE2-CE 3.35Å; H170-M185 WeakPolarHBondContact NE2-CE 3.26Å; A181-M185 HydrophobicContact CB-CE 4.22Å; A181-M185 WeakPolarHBondContact O-CB 3.43Å; A181-M185 VanDerWaalsContact O-CG 3.31Å; A181-M185 WeakPolarHBondContact O-CG 3.19Å; A181-M185 PolarHBondContact O-N 3.47Å; M185-G187 PolarHBondContact O-N 3.2Å; M185-G187 VanDerWaalsContact O-N 3.07Å; M185-A188 HydrophobicContact CB-CB 3.56Å; M185-A188 VanDerWaalsContact O-CB 3.26Å; M185-A188 WeakPolarHBondContact O-CB 3.45Å; M185-A188 PolarHBondContact O-N 3.46Å
186	K	71.4	Confident	83	Confident	201 Å²	201	86 Å²	86	87%	0.874	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	112.8	-175.3	-168.5	177.8	-177.9	-177.6	0	111.8
187	G	72.2	Confident	82.8	Confident	49 Å²	49	82.8 Å²	82.8	51%	0.505	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.3	4.3	-178.8	0	0	0	0	0	115.2	M185	M185-G187 PolarHBondContact O-N 3.2Å; M185-G187 VanDerWaalsContact O-N 3.07Å
188	A	82	Confident	82.7	Confident	14 Å²	14	82 Å²	82	12%	0.116	41%	0.411	C	S	.	.			trans	-62.6	144.1	176.1	0	0	0	0	0	112.8	V155 C156 M185	V155-A188 HydrophobicContact CG1-CB 3.93Å; C156-A188 CarbonylContact O-C 3.54Å; C156-A188 WeakPolarHBondContact O-CA 3.5Å; C156-A188 WeakPolarHBondContact O-CB 3.28Å; M185-A188 HydrophobicContact CB-CB 3.56Å; M185-A188 VanDerWaalsContact O-CB 3.26Å; M185-A188 WeakPolarHBondContact O-CB 3.45Å; M185-A188 PolarHBondContact O-N 3.46Å
189	R	80.6	Confident	82.7	Confident	189 Å²	189	82 Å²	82	71%	0.713	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102	141.7	178.7	-54.7	-177.5	78.5	-177.6	6.3	109.4	C156 F202	C156-R189 PolarHBondContact N-O 3.16Å; C156-R189 PolarHBondContact O-N 3.47Å; R189-F202 HydrophobicContact CB-CZ 4.2Å; R189-F202 WeakPolarHBondContact O-CE1 3.33Å
190	F	86.3	Confident	82.7	Confident	64 Å²	64	80.6 Å²	80.6	28%	0.281	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	137	-172.2	162.5	-120.3	0	0	0	111.7	Y153 G154 V155 K175 A178 L179 V182	Y153-F190 AromaticContact CD1-CE2 3.57Å; Y153-F190 HydrophobicContact CD1-CE2 3.57Å; Y153-F190 AromaticContact CD1-CZ 3.47Å; Y153-F190 HydrophobicContact CD1-CZ 3.47Å; Y153-F190 VanDerWaalsContact CD1-CZ 3.47Å; Y153-F190 HydrophobicContact CE1-CZ 4.1Å; Y153-F190 HydrophobicContact CG-CE2 4.06Å; Y153-F190 HydrophobicContact CG-CZ 4.24Å; G154-F190 WeakPolarHBondContact O-CA 3.5Å; G154-F190 WeakPolarHBondContact O-CD2 3.36Å; V155-F190 HydrophobicContact CG2-CD2 3.96Å; K175-F190 HydrophobicContact CG-CZ 4.34Å; A178-F190 HydrophobicContact CB-CD2 4.13Å; A178-F190 HydrophobicContact CB-CE2 3.66Å; A178-F190 HydrophobicContact CB-CZ 4.15Å; L179-F190 HydrophobicContact CD2-CD1 3.89Å; L179-F190 HydrophobicContact CD2-CE1 3.87Å; L179-F190 HydrophobicContact CG-CE1 4.24Å; V182-F190 HydrophobicContact CG2-CB 3.51Å; V182-F190 HydrophobicContact CG2-CG 4.09Å
191	K	86.4	Confident	82.4	Confident	105 Å²	105	80.9 Å²	80.9	46%	0.457	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	147.5	179.7	-174.6	169.3	174.2	-175.8	0	112	G154 F193 F202	G154-K191 PolarHBondContact N-O 3.43Å; G154-K191 PolarHBondContact O-N 3.39Å; K191-F193 HydrophobicContact CB-CE2 3.64Å; K191-F193 HydrophobicContact CB-CZ 3.88Å; K191-F193 HydrophobicContact CD-CE1 4.08Å; K191-F193 HydrophobicContact CD-CE2 4.22Å; K191-F193 HydrophobicContact CD-CZ 3.63Å; K191-F193 HydrophobicContact CG-CD2 4.42Å; K191-F193 HydrophobicContact CG-CE1 4.33Å; K191-F193 HydrophobicContact CG-CE2 3.75Å; K191-F193 HydrophobicContact CG-CZ 3.69Å; K191-F193 WeakPolarHBondContact O-CD2 3.39Å; K191-F193 WeakPolarHBondContact O-CE2 3.5Å; K191-F202 HydrophobicContact CB-CD1 4.3Å; K191-F202 HydrophobicContact CB-CE1 3.83Å; K191-F202 HydrophobicContact CB-CE2 4.17Å; K191-F202 HydrophobicContact CB-CZ 3.75Å; K191-F202 HydrophobicContact CD-CE2 4.4Å
192	A	87.9	Confident	82.5	Confident	45 Å²	45	82.2 Å²	82.2	37%	0.372	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	144.4	173.4	0	0	0	0	0	111.2	Y152 Y153	Y152-A192 CarbonylContact O-C 3.6Å; Y152-A192 WeakPolarHBondContact O-CA 3.38Å; Y153-A192 HydrophobicContact CD1-CB 3.75Å; Y153-A192 HydrophobicContact CE1-CB 3.59Å
193	F	85.6	Confident	82.4	Confident	29 Å²	29	80.5 Å²	80.5	13%	0.127	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	155	-177.7	-60.1	-94.1	0	0	0	109.8	F151 Y152 K191 S195 D198 A199 F202	F151-F193 CarbonylContact C-O 3.56Å; F151-F193 VanDerWaalsContact CA-O 3.23Å; F151-F193 WeakPolarHBondContact CA-O 3.21Å; Y152-F193 PolarHBondContact N-O 3.44Å; Y152-F193 PolarHBondContact O-N 2.91Å; K191-F193 HydrophobicContact CB-CE2 3.64Å; K191-F193 HydrophobicContact CB-CZ 3.88Å; K191-F193 HydrophobicContact CD-CE1 4.08Å; K191-F193 HydrophobicContact CD-CE2 4.22Å; K191-F193 HydrophobicContact CD-CZ 3.63Å; K191-F193 HydrophobicContact CG-CD2 4.42Å; K191-F193 HydrophobicContact CG-CE1 4.33Å; K191-F193 HydrophobicContact CG-CE2 3.75Å; K191-F193 HydrophobicContact CG-CZ 3.69Å; K191-F193 WeakPolarHBondContact O-CD2 3.39Å; K191-F193 WeakPolarHBondContact O-CE2 3.5Å; F193-S195 WeakPolarHBondContact CB-O 3.29Å; F193-D198 HydrophobicContact CB-CB 4.44Å; F193-D198 HydrophobicContact CD1-CB 3.7Å; F193-D198 HydrophobicContact CE1-CB 4.27Å; F193-D198 HydrophobicContact CG-CB 4.26Å; F193-A199 HydrophobicContact CB-CB 4.21Å; F193-A199 HydrophobicContact CD2-CB 3.63Å; F193-A199 HydrophobicContact CE2-CB 4.33Å; F193-A199 HydrophobicContact CG-CB 4.14Å; F193-F202 HydrophobicContact CE1-CB 4.35Å; F193-F202 HydrophobicContact CE2-CB 3.72Å; F193-F202 AromaticContact CE2-CD1 3.89Å; F193-F202 HydrophobicContact CE2-CD1 3.89Å; F193-F202 HydrophobicContact CE2-CD2 4.43Å; F193-F202 AromaticContact CE2-CG 3.76Å; F193-F202 HydrophobicContact CE2-CG 3.76Å; F193-F202 HydrophobicContact CZ-CB 3.42Å; F193-F202 VanDerWaalsContact CZ-CB 3.42Å; F193-F202 HydrophobicContact CZ-CD1 4.09Å; F193-F202 AromaticContact CZ-CD2 3.8Å; F193-F202 HydrophobicContact CZ-CD2 3.8Å; F193-F202 AromaticContact CZ-CG 3.5Å; F193-F202 HydrophobicContact CZ-CG 3.5Å
194	T	85.1	Confident	82	Confident	109 Å²	109	76.2 Å²	76.2	67%	0.669	37%	0.374	S	S	*	.	S	Bend	trans	-88.4	-23.4	172.9	47.3	0	0	0	0	112.8	F151	F151-T194 HydrophobicContact CD1-CG2 3.98Å; F151-T194 HydrophobicContact CE1-CG2 3.72Å
195	S	85.6	Confident	81.5	Confident	29 Å²	29	73.1 Å²	73.1	20%	0.203	36%	0.363	C	S	.	.	S	Bend	trans	-96.1	143.7	169.5	151.7	0	0	0	0	110.2	F193 E197 D198	F193-S195 WeakPolarHBondContact CB-O 3.29Å; S195-E197 PolarHBondContact OG-N 3.24Å; S195-E197 VanDerWaalsContact OG-N 3.11Å; S195-E197 PolarHBondContact OG-OE2 2.9Å; S195-D198 PolarHBondContact OG-N 3.47Å
196	R	84.6	Confident	80.7	Confident	117 Å²	117	77.8 Å²	77.8	44%	0.442	39%	0.388	S	S	.	.	H	α-helix	trans	-72.1	-39.3	172.9	-178.6	-178.9	166.8	130.8	8.5	111	Y152 V171 D198 A199 E200	Y152-R196 HydrophobicContact CD1-CB 3.81Å; Y152-R196 HydrophobicContact CD1-CG 3.9Å; Y152-R196 HydrophobicContact CD2-CB 3.9Å; Y152-R196 HydrophobicContact CE1-CB 3.81Å; Y152-R196 HydrophobicContact CE1-CG 4.02Å; Y152-R196 HydrophobicContact CE2-CB 3.91Å; Y152-R196 HydrophobicContact CG-CB 3.84Å; Y152-R196 HydrophobicContact CG-CG 4.31Å; V171-R196 HydrophobicContact CG1-CG 4.36Å; R196-D198 VanDerWaalsContact C-N 3.31Å; R196-D198 PolarHBondContact O-N 3.47Å; R196-A199 WeakPolarHBondContact O-CB 3.42Å; R196-A199 PolarHBondContact O-N 3.43Å; R196-A199 VanDerWaalsContact O-N 3.15Å; R196-E200 HydrophobicContact CG-CG 4.46Å; R196-E200 IonicContact CZ-OE1 3.67Å; R196-E200 IonicContact NE-OE1 3.83Å; R196-E200 PolarHBondContact NE-OE1 2.99Å; R196-E200 IonicContact NH2-OE1 2.69Å; R196-E200 PolarHBondContact NH2-OE1 3.02Å; R196-E200 PolarHBondContact O-N 3.44Å
197	E	83	Confident	79.6	Confident	110 Å²	110	71.1 Å²	71.1	51%	0.514	37%	0.366	S	S	.	.	H	α-helix	trans	-62.5	-38.6	-176.4	-56.8	66.9	-145.1	0	0	111	S195 E200 R201	S195-E197 PolarHBondContact OG-N 3.24Å; S195-E197 VanDerWaalsContact OG-N 3.11Å; S195-E197 PolarHBondContact OG-OE2 2.9Å; E197-E200 PolarHBondContact O-N 2.89Å; E197-R201 VanDerWaalsContact O-CG 3.27Å; E197-R201 WeakPolarHBondContact O-CG 3.47Å; E197-R201 PolarHBondContact O-N 2.83Å
198	D	82.8	Confident	78	Confident	66 Å²	66	76 Å²	76	35%	0.353	38%	0.381	S	S	.	.	H	α-helix	trans	-71.4	-36.3	174.2	-73.8	-27.4	0	0	0	113.1	F193 S195 R196 E200 R201 F202	F193-D198 HydrophobicContact CB-CB 4.44Å; F193-D198 HydrophobicContact CD1-CB 3.7Å; F193-D198 HydrophobicContact CE1-CB 4.27Å; F193-D198 HydrophobicContact CG-CB 4.26Å; S195-D198 PolarHBondContact OG-N 3.47Å; R196-D198 VanDerWaalsContact C-N 3.31Å; R196-D198 PolarHBondContact O-N 3.47Å; D198-E200 VanDerWaalsContact C-N 3.3Å; D198-E200 PolarHBondContact O-N 2.78Å; D198-R201 PolarHBondContact O-N 3.03Å; D198-R201 IonicContact OD1-CZ 2.68Å; D198-R201 IonicContact OD1-NH1 3.67Å; D198-R201 PolarHBondContact OD1-NH1 2.94Å; D198-F202 WeakPolarHBondContact O-CB 3.28Å; D198-F202 PolarHBondContact O-N 2.7Å
199	A	84.6	Confident	75.9	Confident	0 Å²	0	85.8 Å²	85.8	0%	0	42%	0.416	C	S	.	.	H	α-helix	trans	-63.1	-38.6	170	0	0	0	0	0	111.3	V171 F193 R196 F202 S203	V171-A199 HydrophobicContact CB-CB 4.39Å; V171-A199 HydrophobicContact CG1-CB 3.68Å; V171-A199 HydrophobicContact CG2-CB 3.74Å; V171-A199 WeakPolarHBondContact CG2-O 3.26Å; F193-A199 HydrophobicContact CB-CB 4.21Å; F193-A199 HydrophobicContact CD2-CB 3.63Å; F193-A199 HydrophobicContact CE2-CB 4.33Å; F193-A199 HydrophobicContact CG-CB 4.14Å; R196-A199 WeakPolarHBondContact O-CB 3.42Å; R196-A199 PolarHBondContact O-N 3.43Å; R196-A199 VanDerWaalsContact O-N 3.15Å; A199-F202 PolarHBondContact O-N 2.78Å; A199-S203 WeakPolarHBondContact O-CB 3.33Å; A199-S203 PolarHBondContact O-N 2.72Å
200	E	83.4	Confident	73.6	Confident	47 Å²	47	81.3 Å²	81.3	22%	0.22	41%	0.413	C	S	.	.	H	α-helix	trans	-69.9	-41.1	178.8	-73.3	-167.4	-161.1	0	0	111.5	A169 V171 R196 E197 D198 F202 S203 K204	A169-E200 HydrophobicContact CB-CB 4.11Å; A169-E200 HydrophobicContact CB-CG 3.8Å; V171-E200 HydrophobicContact CB-CG 4.13Å; V171-E200 HydrophobicContact CG2-CB 4.14Å; V171-E200 HydrophobicContact CG2-CG 3.52Å; R196-E200 HydrophobicContact CG-CG 4.46Å; R196-E200 IonicContact CZ-OE1 3.67Å; R196-E200 IonicContact NE-OE1 3.83Å; R196-E200 PolarHBondContact NE-OE1 2.99Å; R196-E200 IonicContact NH2-OE1 2.69Å; R196-E200 PolarHBondContact NH2-OE1 3.02Å; R196-E200 PolarHBondContact O-N 3.44Å; E197-E200 PolarHBondContact O-N 2.89Å; D198-E200 VanDerWaalsContact C-N 3.3Å; D198-E200 PolarHBondContact O-N 2.78Å; E200-F202 VanDerWaalsContact C-N 3.35Å; E200-S203 PolarHBondContact O-N 2.98Å; E200-S203 PolarHBondContact O-OG 2.72Å; E200-K204 WeakPolarHBondContact O-CG 3.15Å; E200-K204 PolarHBondContact O-N 2.91Å; E200-K204 IonicContact OE2-NZ 3.98Å
201	R	80.9	Confident	71	Confident	143 Å²	143	82.9 Å²	82.9	54%	0.54	43%	0.429	S	S	.	.	H	α-helix	trans	-57.5	-46.2	170.9	-72.9	163.9	-179.5	156.4	0.1	111.8	E197 D198 K204 L206	E197-R201 VanDerWaalsContact O-CG 3.27Å; E197-R201 WeakPolarHBondContact O-CG 3.47Å; E197-R201 PolarHBondContact O-N 2.83Å; D198-R201 PolarHBondContact O-N 3.03Å; D198-R201 IonicContact OD1-CZ 2.68Å; D198-R201 IonicContact OD1-NH1 3.67Å; D198-R201 PolarHBondContact OD1-NH1 2.94Å; R201-K204 PolarHBondContact O-N 2.63Å; R201-L206 PolarHBondContact O-N 3.27Å; R201-L206 VanDerWaalsContact O-N 3.16Å
202	F	82.2	Confident	68	Low	34 Å²	34	83.4 Å²	83.4	15%	0.149	45%	0.446	C	S	.	.	H	α-helix	trans	-63.8	-45	177.7	179.9	-97.3	0	0	0	112	G154 C156 R189 K191 F193 D198 A199 E200 K204 G205	G154-F202 WeakPolarHBondContact O-CD1 3.5Å; G154-F202 VanDerWaalsContact O-CE1 3.31Å; G154-F202 WeakPolarHBondContact O-CE1 3.47Å; C156-F202 HydrophobicContact CB-CD1 4.25Å; C156-F202 HydrophobicContact CB-CE1 3.97Å; C156-F202 HydrophobicContact CB-CZ 4.34Å; C156-F202 WeakPolarHBondContact CB-O 3.5Å; R189-F202 HydrophobicContact CB-CZ 4.2Å; R189-F202 WeakPolarHBondContact O-CE1 3.33Å; K191-F202 HydrophobicContact CB-CD1 4.3Å; K191-F202 HydrophobicContact CB-CE1 3.83Å; K191-F202 HydrophobicContact CB-CE2 4.17Å; K191-F202 HydrophobicContact CB-CZ 3.75Å; K191-F202 HydrophobicContact CD-CE2 4.4Å; F193-F202 HydrophobicContact CE1-CB 4.35Å; F193-F202 HydrophobicContact CE2-CB 3.72Å; F193-F202 AromaticContact CE2-CD1 3.89Å; F193-F202 HydrophobicContact CE2-CD1 3.89Å; F193-F202 HydrophobicContact CE2-CD2 4.43Å; F193-F202 AromaticContact CE2-CG 3.76Å; F193-F202 HydrophobicContact CE2-CG 3.76Å; F193-F202 HydrophobicContact CZ-CB 3.42Å; F193-F202 VanDerWaalsContact CZ-CB 3.42Å; F193-F202 HydrophobicContact CZ-CD1 4.09Å; F193-F202 AromaticContact CZ-CD2 3.8Å; F193-F202 HydrophobicContact CZ-CD2 3.8Å; F193-F202 AromaticContact CZ-CG 3.5Å; F193-F202 HydrophobicContact CZ-CG 3.5Å; D198-F202 WeakPolarHBondContact O-CB 3.28Å; D198-F202 PolarHBondContact O-N 2.7Å; A199-F202 PolarHBondContact O-N 2.78Å; E200-F202 VanDerWaalsContact C-N 3.35Å; F202-K204 PolarHBondContact O-N 2.74Å; F202-G205 PolarHBondContact O-N 2.88Å
203	S	82.3	Confident	65.5	Low	5 Å²	5	87.3 Å²	87.3	4%	0.035	47%	0.468	C	S	.	.	H	α-helix	trans	-61.1	-29.6	179.8	71.2	0	0	0	0	113.9	V155 H170 A199 E200 G205	V155-S203 VanDerWaalsContact O-CA 3.27Å; V155-S203 WeakPolarHBondContact O-CA 3.1Å; V155-S203 VanDerWaalsContact O-CB 3.22Å; V155-S203 WeakPolarHBondContact O-CB 3.29Å; H170-S203 PolarHBondContact N-OG 2.89Å; H170-S203 WeakPolarHBondContact O-CB 3.33Å; A199-S203 WeakPolarHBondContact O-CB 3.33Å; A199-S203 PolarHBondContact O-N 2.72Å; E200-S203 PolarHBondContact O-N 2.98Å; E200-S203 PolarHBondContact O-OG 2.72Å; S203-G205 VanDerWaalsContact C-N 3.32Å
204	K	76.4	Confident	62.6	Low	97 Å²	97	91 Å²	91	42%	0.422	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	3.4	178.3	-65.2	168.5	-168.5	167.2	0	113.3	A169 E200 R201 F202 L206	A169-K204 VanDerWaalsContact CB-CE 3.46Å; E200-K204 WeakPolarHBondContact O-CG 3.15Å; E200-K204 PolarHBondContact O-N 2.91Å; E200-K204 IonicContact OE2-NZ 3.98Å; R201-K204 PolarHBondContact O-N 2.63Å; F202-K204 PolarHBondContact O-N 2.74Å; K204-L206 HydrophobicContact CB-CD1 4.29Å; K204-L206 VanDerWaalsContact O-CD1 3.3Å; K204-L206 WeakPolarHBondContact O-CD1 3.43Å; K204-L206 PolarHBondContact O-N 3.33Å
205	G	69.3	Low	60.1	Low	43 Å²	43	96 Å²	96	44%	0.443	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.3	2.6	-176.3	0	0	0	0	0	115.4	F202 S203 C207	F202-G205 PolarHBondContact O-N 2.88Å; S203-G205 VanDerWaalsContact C-N 3.32Å; G205-C207 PolarHBondContact O-N 3.12Å
206	L	61.5	Low	57.3	Low	138 Å²	138	100.2 Å²	100.2	72%	0.723	54%	0.539	S	S	*	.			trans	-79.6	19.6	-174.8	-99.9	72.9	0	0	0	114.2	R201 K204	R201-L206 PolarHBondContact O-N 3.27Å; R201-L206 VanDerWaalsContact O-N 3.16Å; K204-L206 HydrophobicContact CB-CD1 4.29Å; K204-L206 VanDerWaalsContact O-CD1 3.3Å; K204-L206 WeakPolarHBondContact O-CD1 3.43Å; K204-L206 PolarHBondContact O-N 3.33Å
207	C	49.3	Very low	54.6	Low	60 Å²	60	101.1 Å²	101.1	41%	0.405	56%	0.558	S	S	.	*			trans	-107	84.1	179.6	-172.1	0	0	0	0	110.3	G205 Y209	G205-C207 PolarHBondContact O-N 3.12Å; C207-Y209 PolarHBondContact O-N 3.43Å; C207-Y209 VanDerWaalsContact O-N 3.13Å
208	D	38.8	Very low	52.1	Low	153 Å²	153	101.7 Å²	101.7	82%	0.818	57%	0.571	S	S	*	*			trans	-58.4	114.1	169.3	-79.7	-48.4	0	0	0	110.6	C210	D208-C210 PolarHBondContact O-N 3.36Å; D208-C210 VanDerWaalsContact O-N 3.14Å
209	Y	37.1	Very low	49.4	Very low	218 Å²	218	104.5 Å²	104.5	86%	0.855	60%	0.595	S	S	*	*			trans	32.5	67	154.4	-148.6	-91	0	0	0	117.1	C207 P211	C207-Y209 PolarHBondContact O-N 3.43Å; C207-Y209 VanDerWaalsContact O-N 3.13Å; Y209-P211 WeakPolarHBondContact O-CD 3.45Å
210	C	31.8	Very low	46.6	Very low	96 Å²	96	112.8 Å²	112.8	65%	0.649	64%	0.637	S	S	*	*			trans	-92	93.3	168.7	-72.2	0	0	0	0	112.2	D208	D208-C210 PolarHBondContact O-N 3.36Å; D208-C210 VanDerWaalsContact O-N 3.14Å
211	P	32	Very low	43.8	Very low	96 Å²	96	115.5 Å²	115.5	62%	0.623	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-66.9	150.7	159.6	31.4	-34.9	0	0	0	110	Y209	Y209-P211 WeakPolarHBondContact O-CD 3.45Å
212	S	24.8	Very low	42.1	Very low	116 Å²	116	113.6 Å²	113.6	81%	0.811	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-64.2	148.1	178	-70.8	0	0	0	0	112.1
213	P	34.4	Very low	39.4	Very low	127 Å²	127	119 Å²	119	83%	0.825	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-84.4	130.7	-151.5	30.8	-36.5	0	0	0	114.5
214	S	25.3	Very low	36.9	Very low	106 Å²	106	127.7 Å²	127.7	74%	0.741	73%	0.733	S	S	*	*			trans	-156.2	130.5	143.1	64.6	0	0	0	0	112.9
215	K	32.5	Very low	34.8	Very low	216 Å²	216	129.2 Å²	129.2	94%	0.939	75%	0.753	S	S	*	*			trans	70.8	155.6	171.7	-55.8	-174.2	178.7	-175.4	0	116.7
216	S	26	Very low	32.7	Very low	116 Å²	116	131.1 Å²	131.1	81%	0.811	77%	0.772	S	S	*	*			trans	-129.1	149	-155.4	47.9	0	0	0	0	113.3
217	T	29.3	Very low	31.2	Very low	136 Å²	136	132 Å²	132	83%	0.834	78%	0.777	S	S	*	*			trans	-154.2	141.2	166.6	-66.1	0	0	0	0	106.8
218	P	29.8	Very low	30.2	Very low	123 Å²	123	135.9 Å²	135.9	80%	0.799	80%	0.799	S	S	*	*			trans	-87.1	170.2	-156.1	33.6	-37.4	0	0	0	116.3
219	C	25.8	Very low	29.8	Very low	125 Å²	125	134.1 Å²	134.1	85%	0.845	79%	0.793	S	S	*	*			trans	-82.3	149.1	-170	-40.8	0	0	0	0	114.6
220	I	25.8	Very low	29.3	Very low	174 Å²	174	127.7 Å²	127.7	89%	0.892	79%	0.793	S	S	*	*			trans	-136.9	144.8	152.8	-59.2	-177.8	0	0	0	108.7
221	S	24.5	Very low	29.3	Very low	103 Å²	103	130.3 Å²	130.3	72%	0.72	79%	0.794	S	S	*	*			trans	-159.3	176.1	177.6	68.6	0	0	0	0	109.1
222	P	45.7	Very low	29	Very low	103 Å²	103	134.8 Å²	134.8	67%	0.669	81%	0.806	S	S	*	*			cis	-128.5	-146.8	-17	25.9	-0.8	0	0	0	110.8
223	I	25.9	Very low	29.2	Very low	147 Å²	147	137 Å²	137	75%	0.754	80%	0.804	S	S	*	*			trans	80.2	130	160.3	-60.9	164.8	0	0	0	115.3
224	K	28.9	Very low	29.1	Very low	188 Å²	188	137.5 Å²	137.5	82%	0.817	80%	0.804	S	S	*	*			cis	-152.8	162.1	-7.5	-119.7	180	-179.4	179.5	0	108.9
225	P	32.5	Very low	29.4	Very low	130 Å²	130	140.4 Å²	140.4	84%	0.844	81%	0.806	S	S	*	*			trans	-90.9	158.3	-176	36.3	-33.6	0	0	0	114.2
226	G	25.5	Very low	29.6	Very low	82 Å²	82	137.2 Å²	137.2	85%	0.845	80%	0.804	S	S	*	*			trans	-137.5	131	168	0	0	0	0	0	110.6
227	L	29.8	Very low	29.9	Very low	156 Å²	156	138.6 Å²	138.6	82%	0.817	80%	0.802	S	S	*	*			trans	-103.7	129.2	-167.6	169.8	73.1	0	0	0	112.3	V229	L227-V229 HydrophobicContact CD1-CG2 4.13Å
228	V	28.6	Very low	30.1	Very low	143 Å²	143	137.4 Å²	137.4	87%	0.867	80%	0.795	S	S	*	*			trans	-149.6	144.9	138.7	175.3	0	0	0	0	107.9
229	V	29.9	Very low	30.8	Very low	116 Å²	116	140.1 Å²	140.1	70%	0.703	80%	0.801	S	S	*	*			trans	-109.3	140.1	176.5	171.6	0	0	0	0	110.6	L227	L227-V229 HydrophobicContact CD1-CG2 4.13Å
230	G	27.7	Very low	31.3	Very low	83 Å²	83	140 Å²	140	86%	0.856	79%	0.792	S	S	*	*			trans	-146.8	109.7	159.7	0	0	0	0	0	108.2
231	K	31.2	Very low	32.2	Very low	151 Å²	151	143.6 Å²	143.6	66%	0.657	79%	0.794	S	S	*	*			trans	-114.1	120.4	-174.3	-178.6	-173.7	-174.1	-178.5	0	109.4	E160	E160-K231 IonicContact OE1-NZ 2.77Å; E160-K231 PolarHBondContact OE1-NZ 3.18Å
232	E	25.7	Very low	33.4	Very low	189 Å²	189	142.5 Å²	142.5	88%	0.883	78%	0.778	S	S	*	*			trans	-150.3	121.9	151.2	-131.4	160.8	-131.8	0	0	113.3
233	H	29	Very low	33.6	Very low	164 Å²	164	147.4 Å²	147.4	76%	0.759	79%	0.788	S	S	*	*			trans	31.9	101.5	154.2	-136.9	-88.7	0	0	0	121.3
234	V	32.5	Very low	34.8	Very low	136 Å²	136	142.3 Å²	142.3	82%	0.824	77%	0.769	S	S	*	*			trans	-134.5	134.3	150.9	-177.6	0	0	0	0	108.3
235	E	30.7	Very low	36.3	Very low	168 Å²	168	135.2 Å²	135.2	79%	0.785	74%	0.74	S	S	*	*			trans	-69.1	144.3	179.4	-65.4	176.7	118.2	0	0	111.8	D237	E235-D237 PolarHBondContact O-N 3.43Å
236	V	36.8	Very low	38.2	Very low	148 Å²	148	134.7 Å²	134.7	90%	0.897	74%	0.739	S	S	*	*			trans	-81	100.8	-178.4	179.5	0	0	0	0	109.9
237	D	33.3	Very low	41.1	Very low	145 Å²	145	133.6 Å²	133.6	78%	0.775	71%	0.711	S	S	*	*			trans	-119.2	148.6	160.2	-141	-20.9	0	0	0	110.4	E235	E235-D237 PolarHBondContact O-N 3.43Å
238	T	32.4	Very low	43.8	Very low	112 Å²	112	134.8 Å²	134.8	69%	0.687	71%	0.709	S	S	*	*			trans	-40.1	139.3	-157.8	49.5	0	0	0	0	118.7	N240	T238-N240 VanDerWaalsContact C-N 3.29Å; T238-N240 PolarHBondContact O-N 3.36Å
239	I	44.6	Very low	46.7	Very low	180 Å²	180	131.4 Å²	131.4	92%	0.923	69%	0.692	S	S	*	*			trans	-70.3	77.4	178.2	-50.1	168.8	0	0	0	111
240	N	36.4	Very low	49.5	Very low	122 Å²	122	127 Å²	127	65%	0.652	67%	0.666	S	S	*	*			trans	-83.6	134.2	164.8	-96.3	-18.6	0	0	0	110.1	T238 E242	T238-N240 VanDerWaalsContact C-N 3.29Å; T238-N240 PolarHBondContact O-N 3.36Å; N240-E242 PolarHBondContact O-N 2.87Å; N240-E242 VanDerWaalsContact O-N 3.12Å
241	R	44.1	Very low	52.4	Low	250 Å²	250	130.6 Å²	130.6	94%	0.943	65%	0.654	S	S	*	*			trans	-83.4	27.4	178.8	-154.6	176.6	177.7	-177.3	-1.6	112.8	K243	R241-K243 PolarHBondContact O-N 3.07Å
242	E	49.8	Very low	55.1	Low	80 Å²	80	126.1 Å²	126.1	37%	0.374	64%	0.641	S	S	.	*			trans	-72.9	69.9	167.6	-69.7	-168.7	159.5	0	0	109.5	N240 A244 R280	N240-E242 PolarHBondContact O-N 2.87Å; N240-E242 VanDerWaalsContact O-N 3.12Å; E242-A244 PolarHBondContact O-N 3.26Å; E242-R280 IonicContact OE1-NH1 3.78Å; E242-R280 IonicContact OE2-CZ 2.73Å; E242-R280 VanDerWaalsContact OE2-CZ 3.3Å; E242-R280 IonicContact OE2-NH1 3.69Å; E242-R280 PolarHBondContact OE2-NH1 3.49Å; E242-R280 IonicContact OE2-NH2 3.3Å; E242-R280 PolarHBondContact OE2-NH2 2.79Å
243	K	50.3	Low	58	Low	205 Å²	205	123.9 Å²	123.9	89%	0.891	63%	0.631	S	S	*	*			trans	-86.9	54.8	160.3	-156.2	-169.7	176.4	-171	0	110.4	R241	R241-K243 PolarHBondContact O-N 3.07Å
244	A	52.1	Low	60.9	Low	41 Å²	41	117 Å²	117	34%	0.339	60%	0.6	S	S	.	*	S	Bend	trans	-136.1	114.2	156.8	0	0	0	0	0	105.1	E242	E242-A244 PolarHBondContact O-N 3.26Å
245	N	59.7	Low	63.6	Low	39 Å²	39	111.3 Å²	111.3	21%	0.209	57%	0.565	C	S	.	*			trans	67.6	141.6	175.3	-22.4	-70.1	0	0	0	117.3	F247 L328 M329 P331	N245-F247 HydrophobicContact CB-CD2 3.91Å; N245-L328 PolarHBondContact OD1-O 2.98Å; N245-L328 VanDerWaalsContact OD1-O 3.07Å; N245-M329 HydrophobicContact CB-CE 3.73Å; N245-M329 VanDerWaalsContact CG-C 3.49Å; N245-M329 VanDerWaalsContact CG-CA 3.49Å; N245-M329 VanDerWaalsContact CG-O 3.24Å; N245-M329 VanDerWaalsContact ND2-C 3.32Å; N245-M329 WeakPolarHBondContact ND2-CA 3.1Å; N245-M329 PolarHBondContact ND2-O 3.17Å; N245-M329 VanDerWaalsContact OD1-CA 3.29Å; N245-M329 WeakPolarHBondContact OD1-CA 3.3Å; N245-M329 PolarHBondContact OD1-O 3.27Å; N245-P331 WeakPolarHBondContact OD1-CD 3.47Å
246	S	71.9	Confident	66.3	Low	119 Å²	119	106.5 Å²	106.5	83%	0.832	55%	0.547	S	S	*	.			trans	-89.8	1.7	-178.1	46.6	0	0	0	0	114.6
247	F	86.2	Confident	68.8	Low	58 Å²	58	102.4 Å²	102.4	25%	0.254	53%	0.529	S	S	.	.	P	Polyproline II helix	trans	-68.4	140.6	-178.9	-66.2	-76.5	0	0	0	112.3	N245 N277 N278 P279 R280 L328 M329	N245-F247 HydrophobicContact CB-CD2 3.91Å; F247-N277 WeakPolarHBondContact CE1-O 3.3Å; F247-N278 HydrophobicContact CD1-CB 4.28Å; F247-P279 HydrophobicContact CD2-CG 3.94Å; F247-P279 HydrophobicContact CE2-CG 3.86Å; F247-P279 HydrophobicContact CG-CG 4.37Å; F247-P279 HydrophobicContact CZ-CG 4.22Å; F247-R280 HydrophobicContact CB-CG 3.98Å; F247-R280 PolarHBondContact O-NE 3.1Å; F247-R280 PolarHBondContact O-NH2 2.84Å; F247-L328 HydrophobicContact CE2-CB 4.21Å; F247-L328 WeakPolarHBondContact CE2-O 3.48Å; F247-M329 HydrophobicContact CB-CE 4.41Å; F247-M329 HydrophobicContact CD2-CE 3.65Å; F247-M329 HydrophobicContact CE2-CE 4.39Å; F247-M329 HydrophobicContact CG-CE 4.38Å
248	K	87.6	Confident	71.6	Confident	181 Å²	181	100 Å²	100	79%	0.787	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-89.3	140.5	174.1	-64.9	-170.3	177.2	-171.4	0	110.6	N278	K248-N278 PolarHBondContact O-ND2 3.44Å
249	S	88.3	Confident	74.6	Confident	72 Å²	72	94.7 Å²	94.7	50%	0.503	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-63.5	130.4	175.6	-54.1	0	0	0	0	111.1	R280	S249-R280 PolarHBondContact OG-NE 3.48Å; S249-R280 PolarHBondContact OG-NH2 2.6Å
250	P	89.5	Confident	77	Confident	25 Å²	25	88.6 Å²	88.6	16%	0.162	44%	0.444	C	S	.	.	P	Polyproline II helix	trans	-61.1	147.5	172.5	-22.5	33.3	0	0	0	111.9	L255 R280 Y281	P250-L255 HydrophobicContact CB-CD2 3.68Å; P250-L255 HydrophobicContact CB-CG 4.12Å; P250-L255 HydrophobicContact CG-CD2 4.13Å; P250-R280 WeakPolarHBondContact CD-O 3.46Å; P250-Y281 HydrophobicContact CB-CD1 4.02Å; P250-Y281 HydrophobicContact CB-CE1 3.7Å; P250-Y281 HydrophobicContact CG-CD1 3.74Å; P250-Y281 HydrophobicContact CG-CD2 4Å; P250-Y281 HydrophobicContact CG-CE1 3.8Å; P250-Y281 HydrophobicContact CG-CE2 4.06Å; P250-Y281 HydrophobicContact CG-CG 3.83Å
251	R	89.6	Confident	79.7	Confident	158 Å²	158	89.5 Å²	89.5	60%	0.596	44%	0.442	S	S	*	.	P	Polyproline II helix	trans	-75.7	149.4	172.8	-56.9	173.1	-62.7	173.7	4.9	109.5	Q253 D254 L255	R251-Q253 PolarHBondContact O-N 3.43Å; R251-D254 IonicContact CZ-OD2 2.76Å; R251-D254 IonicContact NE-OD2 3.09Å; R251-D254 PolarHBondContact NE-OD2 3.3Å; R251-D254 IonicContact NH2-OD1 3.87Å; R251-D254 IonicContact NH2-OD2 3.45Å; R251-D254 PolarHBondContact NH2-OD2 3.25Å; R251-D254 WeakPolarHBondContact O-CA 3.48Å; R251-D254 PolarHBondContact O-N 3.35Å; R251-L255 PolarHBondContact O-N 3.33Å
252	S	86.6	Confident	82.2	Confident	56 Å²	56	78 Å²	78	39%	0.392	40%	0.4	S	S	.	.	H	α-helix	trans	-52.9	-31.1	175.7	-52.1	0	0	0	0	113.7	T256 E294	S252-T256 WeakPolarHBondContact O-CB 3.25Å; S252-T256 PolarHBondContact O-N 3.26Å; S252-T256 PolarHBondContact O-OG1 3.15Å; S252-E294 WeakPolarHBondContact CB-OE1 3.1Å; S252-E294 PolarHBondContact OG-OE1 3.06Å
253	Q	87.5	Confident	84.4	Confident	142 Å²	142	74.2 Å²	74.2	66%	0.664	38%	0.383	S	S	*	.	H	α-helix	trans	-64.4	-43.4	172.6	-68.2	-179.3	-7.8	0	0	112.6	R251 T256 A257	R251-Q253 PolarHBondContact O-N 3.43Å; Q253-T256 PolarHBondContact O-N 3.27Å; Q253-A257 WeakPolarHBondContact O-CB 3.45Å; Q253-A257 PolarHBondContact O-N 2.68Å
254	D	89	Confident	86.5	Confident	19 Å²	19	67.4 Å²	67.4	10%	0.102	35%	0.354	C	S	.	.	H	α-helix	trans	-69.8	-39.2	176.8	-68.6	-75.8	0	0	0	111.4	R251 T256 K258 L259 Y281	R251-D254 IonicContact CZ-OD2 2.76Å; R251-D254 IonicContact NE-OD2 3.09Å; R251-D254 PolarHBondContact NE-OD2 3.3Å; R251-D254 IonicContact NH2-OD1 3.87Å; R251-D254 IonicContact NH2-OD2 3.45Å; R251-D254 PolarHBondContact NH2-OD2 3.25Å; R251-D254 WeakPolarHBondContact O-CA 3.48Å; R251-D254 PolarHBondContact O-N 3.35Å; D254-T256 VanDerWaalsContact C-N 3.32Å; D254-T256 PolarHBondContact O-N 3.05Å; D254-K258 HydrophobicContact CB-CD 4.31Å; D254-K258 WeakPolarHBondContact O-CA 3.34Å; D254-K258 VanDerWaalsContact O-CB 3.28Å; D254-K258 WeakPolarHBondContact O-CB 3.21Å; D254-K258 PolarHBondContact O-N 2.84Å; D254-K258 WeakPolarHBondContact OD1-CE 3.42Å; D254-K258 IonicContact OD1-NZ 4Å; D254-K258 PolarHBondContact OD1-NZ 2.84Å; D254-L259 PolarHBondContact O-N 2.96Å; D254-Y281 HydrophobicContact CB-CE1 4.48Å
255	L	89.9	Confident	88.5	Confident	17 Å²	17	72.4 Å²	72.4	9%	0.089	37%	0.368	C	S	.	.	I	π-helix	trans	-57.4	-44.9	172.5	-62.8	-178.7	0	0	0	111.7	P250 R251 L259 R260 Y281 T290	P250-L255 HydrophobicContact CB-CD2 3.68Å; P250-L255 HydrophobicContact CB-CG 4.12Å; P250-L255 HydrophobicContact CG-CD2 4.13Å; R251-L255 PolarHBondContact O-N 3.33Å; L255-L259 HydrophobicContact CD2-CD2 4.29Å; L255-L259 PolarHBondContact O-N 3.45Å; L255-R260 WeakPolarHBondContact O-CB 3.35Å; L255-R260 PolarHBondContact O-N 3.31Å; L255-Y281 HydrophobicContact CD2-CD1 3.62Å; L255-Y281 HydrophobicContact CD2-CE1 4.05Å; L255-T290 HydrophobicContact CD1-CG2 3.55Å; L255-T290 HydrophobicContact CD2-CG2 3.58Å; L255-T290 HydrophobicContact CG-CG2 4.18Å
256	T	87.9	Confident	90.2	Very high	67 Å²	67	71.7 Å²	71.7	41%	0.411	37%	0.371	S	S	.	.	I	π-helix	trans	-77.7	-40.3	-177.4	-51.1	0	0	0	0	112.5	S252 Q253 D254	S252-T256 WeakPolarHBondContact O-CB 3.25Å; S252-T256 PolarHBondContact O-N 3.26Å; S252-T256 PolarHBondContact O-OG1 3.15Å; Q253-T256 PolarHBondContact O-N 3.27Å; D254-T256 VanDerWaalsContact C-N 3.32Å; D254-T256 PolarHBondContact O-N 3.05Å
257	A	88.9	Confident	91.3	Very high	62 Å²	62	68 Å²	68	51%	0.512	34%	0.341	S	S	.	.	I	π-helix	trans	-87.9	-24.1	-172.9	0	0	0	0	0	114.4	Q253 K261	Q253-A257 WeakPolarHBondContact O-CB 3.45Å; Q253-A257 PolarHBondContact O-N 2.68Å; A257-K261 WeakPolarHBondContact O-CB 3.47Å; A257-K261 WeakPolarHBondContact O-CD 3.4Å
258	K	92.5	Very high	91.7	Very high	96 Å²	96	70 Å²	70	42%	0.417	35%	0.352	S	S	.	.	I	π-helix	trans	-109.5	-71.3	179.8	-60.2	169.1	175.1	163.4	0	111	D254 K261 A262 L274	D254-K258 HydrophobicContact CB-CD 4.31Å; D254-K258 WeakPolarHBondContact O-CA 3.34Å; D254-K258 VanDerWaalsContact O-CB 3.28Å; D254-K258 WeakPolarHBondContact O-CB 3.21Å; D254-K258 PolarHBondContact O-N 2.84Å; D254-K258 WeakPolarHBondContact OD1-CE 3.42Å; D254-K258 IonicContact OD1-NZ 4Å; D254-K258 PolarHBondContact OD1-NZ 2.84Å; K258-K261 PolarHBondContact O-N 3.17Å; K258-A262 PolarHBondContact O-N 3.42Å; K258-L274 HydrophobicContact CB-CD1 3.85Å; K258-L274 HydrophobicContact CB-CD2 4.15Å; K258-L274 HydrophobicContact CD-CD2 4.21Å
259	L	93.9	Very high	92.1	Very high	0 Å²	0	68 Å²	68	0%	0	35%	0.345	C	S	.	.	I	π-helix	trans	-59.4	-57.3	-171.8	-178.7	68.7	0	0	0	111.6	D254 L255 K261 A262 V263 F271 V275 Y281 V292 V300	D254-L259 PolarHBondContact O-N 2.96Å; L255-L259 HydrophobicContact CD2-CD2 4.29Å; L255-L259 PolarHBondContact O-N 3.45Å; L259-K261 PolarHBondContact O-N 3.1Å; L259-A262 PolarHBondContact O-N 2.64Å; L259-V263 WeakPolarHBondContact O-CG2 3.33Å; L259-V263 PolarHBondContact O-N 3.13Å; L259-F271 HydrophobicContact CD1-CD2 3.76Å; L259-F271 HydrophobicContact CD1-CE2 3.72Å; L259-V275 HydrophobicContact CD1-CG2 4.09Å; L259-Y281 HydrophobicContact CB-CD1 4.01Å; L259-Y281 HydrophobicContact CB-CE1 4.45Å; L259-Y281 HydrophobicContact CD2-CD1 4.12Å; L259-Y281 WeakPolarHBondContact CD2-O 3.19Å; L259-Y281 HydrophobicContact CG-CD1 4.5Å; L259-V292 HydrophobicContact CD2-CG1 3.76Å; L259-V292 HydrophobicContact CG-CG1 4.37Å; L259-V300 HydrophobicContact CD2-CG2 4.03Å
260	R	94.6	Very high	92.5	Very high	52 Å²	52	65.9 Å²	65.9	20%	0.196	33%	0.332	C	S	.	.	H	α-helix	trans	-57.5	-38.6	177.9	-176.3	-178	157.2	-176.7	-7.5	112.2	L255 V263 E264 V292 Q293 V303	L255-R260 WeakPolarHBondContact O-CB 3.35Å; L255-R260 PolarHBondContact O-N 3.31Å; R260-V263 PolarHBondContact O-N 3.44Å; R260-E264 HydrophobicContact CG-CG 4.29Å; R260-E264 IonicContact CZ-OE1 3.09Å; R260-E264 IonicContact NE-OE1 2.68Å; R260-E264 PolarHBondContact NE-OE1 3.5Å; R260-E264 IonicContact NE-OE2 2.94Å; R260-E264 IonicContact NH2-OE1 2.69Å; R260-E264 PolarHBondContact NH2-OE1 3.49Å; R260-E264 IonicContact NH2-OE2 2.76Å; R260-E264 WeakPolarHBondContact O-CB 3.34Å; R260-E264 WeakPolarHBondContact O-CG 3.42Å; R260-E264 PolarHBondContact O-N 3.31Å; R260-V292 HydrophobicContact CB-CB 4.22Å; R260-Q293 VanDerWaalsContact NH1-OE1 3.08Å; R260-V303 HydrophobicContact CG-CG1 4.24Å
261	K	94.6	Very high	92.8	Very high	140 Å²	140	64.7 Å²	64.7	61%	0.609	32%	0.324	S	S	*	.	H	α-helix	trans	-70.1	-37.1	-178.8	-171.4	-178.8	177	-174.1	0	112.8	A257 K258 L259 K265	A257-K261 WeakPolarHBondContact O-CB 3.47Å; A257-K261 WeakPolarHBondContact O-CD 3.4Å; K258-K261 PolarHBondContact O-N 3.17Å; L259-K261 PolarHBondContact O-N 3.1Å; K261-K265 VanDerWaalsContact O-CB 3.31Å; K261-K265 WeakPolarHBondContact O-CB 3.5Å; K261-K265 PolarHBondContact O-N 2.94Å; K261-K265 VanDerWaalsContact O-N 3.08Å
262	A	95.8	Very high	93.1	Very high	8 Å²	8	58.8 Å²	58.8	7%	0.066	31%	0.307	C	S	.	.	H	α-helix	trans	-63.3	-44.6	171.5	0	0	0	0	0	110.6	K258 L259 K265 G266 D267 A270	K258-A262 PolarHBondContact O-N 3.42Å; L259-A262 PolarHBondContact O-N 2.64Å; A262-K265 PolarHBondContact O-N 2.87Å; A262-G266 PolarHBondContact O-N 3.41Å; A262-D267 HydrophobicContact CB-CB 4.24Å; A262-D267 PolarHBondContact O-N 3.33Å; A262-A270 HydrophobicContact CB-CB 4.34Å
263	V	96.3	Very high	93.5	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.006	31%	0.311	C	S	.	.	H	α-helix	trans	-60.5	-50.9	176.1	178.9	0	0	0	0	111.4	L259 R260 K265 G266 F271 V300 V303 A304 Q309 I312	L259-V263 WeakPolarHBondContact O-CG2 3.33Å; L259-V263 PolarHBondContact O-N 3.13Å; R260-V263 PolarHBondContact O-N 3.44Å; V263-K265 VanDerWaalsContact C-N 3.25Å; V263-K265 PolarHBondContact O-N 3.09Å; V263-G266 PolarHBondContact O-N 2.87Å; V263-F271 HydrophobicContact CG2-CD2 3.78Å; V263-F271 HydrophobicContact CG2-CE2 3.92Å; V263-V300 HydrophobicContact CG1-CG1 4.26Å; V263-V300 HydrophobicContact CG2-CG1 3.71Å; V263-V303 HydrophobicContact CB-CG1 4.43Å; V263-V303 HydrophobicContact CG1-CB 4Å; V263-V303 HydrophobicContact CG1-CG1 3.82Å; V263-A304 HydrophobicContact CG1-CB 4.11Å; V263-Q309 WeakPolarHBondContact O-CG 3.42Å; V263-I312 HydrophobicContact CB-CG2 4.48Å; V263-I312 HydrophobicContact CG1-CG2 4.19Å; V263-I312 HydrophobicContact CG2-CG2 4.11Å
264	E	95.1	Very high	93.8	Very high	62 Å²	62	55.9 Å²	55.9	29%	0.29	29%	0.288	S	S	.	.	H	α-helix	trans	-62.3	-30.6	178.4	-73.1	177.9	156.7	0	0	112.8	R260 V303 E307 Q309	R260-E264 HydrophobicContact CG-CG 4.29Å; R260-E264 IonicContact CZ-OE1 3.09Å; R260-E264 IonicContact NE-OE1 2.68Å; R260-E264 PolarHBondContact NE-OE1 3.5Å; R260-E264 IonicContact NE-OE2 2.94Å; R260-E264 IonicContact NH2-OE1 2.69Å; R260-E264 PolarHBondContact NH2-OE1 3.49Å; R260-E264 IonicContact NH2-OE2 2.76Å; R260-E264 WeakPolarHBondContact O-CB 3.34Å; R260-E264 WeakPolarHBondContact O-CG 3.42Å; R260-E264 PolarHBondContact O-N 3.31Å; E264-V303 HydrophobicContact CG-CG1 3.6Å; E264-E307 HydrophobicContact CG-CG 4.36Å; E264-Q309 PolarHBondContact O-NE2 3.02Å; E264-Q309 VanDerWaalsContact O-NE2 3.08Å
265	K	94.3	Very high	94.1	Very high	146 Å²	146	55 Å²	55	64%	0.635	28%	0.284	S	S	*	.	H	α-helix	trans	-77.4	-30.9	177.6	178.9	-179.4	163.5	-154.3	0	113.5	K261 A262 V263 D267 Q309	K261-K265 VanDerWaalsContact O-CB 3.31Å; K261-K265 WeakPolarHBondContact O-CB 3.5Å; K261-K265 PolarHBondContact O-N 2.94Å; K261-K265 VanDerWaalsContact O-N 3.08Å; A262-K265 PolarHBondContact O-N 2.87Å; V263-K265 VanDerWaalsContact C-N 3.25Å; V263-K265 PolarHBondContact O-N 3.09Å; K265-D267 HydrophobicContact CB-CB 4.33Å; K265-D267 HydrophobicContact CD-CB 3.96Å; K265-D267 WeakPolarHBondContact CE-OD2 3.18Å; K265-D267 HydrophobicContact CG-CB 4.22Å; K265-D267 IonicContact NZ-OD2 3.74Å; K265-D267 PolarHBondContact NZ-OD2 3.26Å; K265-Q309 PolarHBondContact O-NE2 3.41Å
266	G	94.5	Very high	94.3	Very high	25 Å²	25	59.2 Å²	59.2	26%	0.258	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.9	30.4	-164.5	0	0	0	0	0	112.6	A262 V263 E268 Q309	A262-G266 PolarHBondContact O-N 3.41Å; V263-G266 PolarHBondContact O-N 2.87Å; G266-E268 PolarHBondContact O-N 3.02Å; G266-Q309 VanDerWaalsContact CA-CD 3.48Å; G266-Q309 VanDerWaalsContact N-NE2 3.2Å
267	D	95.3	Very high	94.6	Very high	41 Å²	41	62 Å²	62	22%	0.219	31%	0.311	C	S	.	.			trans	-89.2	78.6	-179.4	-156.5	-33.3	0	0	0	111.5	A262 K265 Q269 A270 F271	A262-D267 HydrophobicContact CB-CB 4.24Å; A262-D267 PolarHBondContact O-N 3.33Å; K265-D267 HydrophobicContact CB-CB 4.33Å; K265-D267 HydrophobicContact CD-CB 3.96Å; K265-D267 WeakPolarHBondContact CE-OD2 3.18Å; K265-D267 HydrophobicContact CG-CB 4.22Å; K265-D267 IonicContact NZ-OD2 3.74Å; K265-D267 PolarHBondContact NZ-OD2 3.26Å; D267-Q269 PolarHBondContact O-N 3.2Å; D267-A270 HydrophobicContact CB-CB 4.07Å; D267-A270 VanDerWaalsContact CG-CB 3.44Å; D267-A270 PolarHBondContact O-N 2.96Å; D267-A270 VanDerWaalsContact OD1-CB 3.26Å; D267-A270 WeakPolarHBondContact OD1-CB 3.18Å; D267-A270 PolarHBondContact OD1-N 2.88Å; D267-A270 VanDerWaalsContact OD1-N 3.16Å; D267-F271 WeakPolarHBondContact O-CB 3.3Å; D267-F271 PolarHBondContact O-N 2.95Å
268	E	95.3	Very high	94.8	Very high	100 Å²	100	60.2 Å²	60.2	47%	0.467	29%	0.293	S	S	.	.	H	α-helix	trans	-56.5	-45	-178.1	-73.2	170.3	-157	0	0	112.8	G266 F271 S272 G311 I312 L315	G266-E268 PolarHBondContact O-N 3.02Å; E268-F271 WeakPolarHBondContact O-CB 3.43Å; E268-F271 PolarHBondContact O-N 2.91Å; E268-S272 PolarHBondContact O-N 3.12Å; E268-S272 PolarHBondContact O-OG 3.43Å; E268-G311 WeakPolarHBondContact OE1-CA 3.5Å; E268-I312 HydrophobicContact CG-CG1 3.76Å; E268-L315 HydrophobicContact CB-CD2 3.8Å; E268-L315 HydrophobicContact CG-CD2 4.04Å
269	Q	95.3	Very high	94.8	Very high	138 Å²	138	55.7 Å²	55.7	65%	0.645	27%	0.273	S	S	*	.	H	α-helix	trans	-64.7	-48.1	179.6	-178.2	174.5	-12.4	0	0	111.5	D267 F271 S272 E273	D267-Q269 PolarHBondContact O-N 3.2Å; Q269-F271 PolarHBondContact O-N 3.18Å; Q269-S272 PolarHBondContact O-N 3.46Å; Q269-E273 HydrophobicContact CG-CG 4.42Å; Q269-E273 WeakPolarHBondContact CG-OE1 3.33Å; Q269-E273 PolarHBondContact NE2-OE1 3.39Å; Q269-E273 WeakPolarHBondContact O-CB 3.49Å; Q269-E273 WeakPolarHBondContact O-CG 3.5Å; Q269-E273 PolarHBondContact O-N 3.37Å
270	A	95.5	Very high	94.7	Very high	29 Å²	29	57 Å²	57	24%	0.24	28%	0.278	C	S	.	.	H	α-helix	trans	-64.5	-29.9	176.8	0	0	0	0	0	112.4	A262 D267 L274	A262-A270 HydrophobicContact CB-CB 4.34Å; D267-A270 HydrophobicContact CB-CB 4.07Å; D267-A270 VanDerWaalsContact CG-CB 3.44Å; D267-A270 PolarHBondContact O-N 2.96Å; D267-A270 VanDerWaalsContact OD1-CB 3.26Å; D267-A270 WeakPolarHBondContact OD1-CB 3.18Å; D267-A270 PolarHBondContact OD1-N 2.88Å; D267-A270 VanDerWaalsContact OD1-N 3.16Å; A270-L274 WeakPolarHBondContact O-CB 3.38Å; A270-L274 WeakPolarHBondContact O-CD1 3.43Å; A270-L274 WeakPolarHBondContact O-CG 3.45Å; A270-L274 PolarHBondContact O-N 2.99Å; A270-L274 VanDerWaalsContact O-N 3.1Å
271	F	96.3	Very high	94.7	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-66	-53	173	178.1	-93.9	0	0	0	111.4	L259 V263 D267 E268 Q269 E273 L274 V275 L282 V300 I312 L315 L316	L259-F271 HydrophobicContact CD1-CD2 3.76Å; L259-F271 HydrophobicContact CD1-CE2 3.72Å; V263-F271 HydrophobicContact CG2-CD2 3.78Å; V263-F271 HydrophobicContact CG2-CE2 3.92Å; D267-F271 WeakPolarHBondContact O-CB 3.3Å; D267-F271 PolarHBondContact O-N 2.95Å; E268-F271 WeakPolarHBondContact O-CB 3.43Å; E268-F271 PolarHBondContact O-N 2.91Å; Q269-F271 PolarHBondContact O-N 3.18Å; F271-E273 PolarHBondContact O-N 2.79Å; F271-L274 PolarHBondContact O-N 3.48Å; F271-V275 HydrophobicContact CD1-CG2 4.47Å; F271-V275 HydrophobicContact CD2-CG2 4.39Å; F271-V275 HydrophobicContact CE1-CG2 4.18Å; F271-V275 HydrophobicContact CE2-CG2 4.09Å; F271-V275 HydrophobicContact CZ-CG2 3.98Å; F271-V275 WeakPolarHBondContact O-CB 3.33Å; F271-V275 WeakPolarHBondContact O-CG2 3.43Å; F271-V275 PolarHBondContact O-N 2.98Å; F271-L282 HydrophobicContact CE2-CD2 4.39Å; F271-L282 HydrophobicContact CZ-CD2 4.15Å; F271-V300 HydrophobicContact CE2-CG1 3.9Å; F271-V300 HydrophobicContact CZ-CG1 4.35Å; F271-I312 HydrophobicContact CB-CD1 4.45Å; F271-I312 HydrophobicContact CD2-CG2 4.16Å; F271-I312 HydrophobicContact CE2-CG2 4.22Å; F271-I312 HydrophobicContact CG-CG2 4.33Å; F271-I312 HydrophobicContact CZ-CG2 4.44Å; F271-L315 HydrophobicContact CD1-CD2 3.78Å; F271-L315 HydrophobicContact CD1-CG 4.02Å; F271-L315 HydrophobicContact CE1-CD2 4.46Å; F271-L315 HydrophobicContact CE1-CG 4.22Å; F271-L316 HydrophobicContact CE1-CB 4.48Å; F271-L316 HydrophobicContact CZ-CB 4.19Å; F271-L316 HydrophobicContact CZ-CD1 4.12Å
272	S	95.8	Very high	94.7	Very high	33 Å²	33	49 Å²	49	23%	0.231	24%	0.244	C	C	.	.	H	α-helix	trans	-56.4	-48	175.3	-71	0	0	0	0	112	E268 Q269 L274 V275 W276	E268-S272 PolarHBondContact O-N 3.12Å; E268-S272 PolarHBondContact O-OG 3.43Å; Q269-S272 PolarHBondContact O-N 3.46Å; S272-L274 VanDerWaalsContact C-N 3.35Å; S272-L274 PolarHBondContact O-N 3.42Å; S272-V275 PolarHBondContact O-N 3Å; S272-W276 WeakPolarHBondContact O-CB 3.41Å; S272-W276 PolarHBondContact O-N 3.4Å
273	E	95.3	Very high	94.5	Very high	101 Å²	101	48.7 Å²	48.7	47%	0.472	24%	0.241	S	C	.	.	H	α-helix	trans	-60.5	-41.2	179.8	-74.5	177.1	-164.7	0	0	112.1	Q269 F271 N277	Q269-E273 HydrophobicContact CG-CG 4.42Å; Q269-E273 WeakPolarHBondContact CG-OE1 3.33Å; Q269-E273 PolarHBondContact NE2-OE1 3.39Å; Q269-E273 WeakPolarHBondContact O-CB 3.49Å; Q269-E273 WeakPolarHBondContact O-CG 3.5Å; Q269-E273 PolarHBondContact O-N 3.37Å; F271-E273 PolarHBondContact O-N 2.79Å; E273-N277 VanDerWaalsContact O-CB 3.28Å; E273-N277 WeakPolarHBondContact O-CB 3.38Å; E273-N277 PolarHBondContact O-N 2.91Å; E273-N277 PolarHBondContact O-ND2 3.31Å
274	L	94.3	Very high	94.2	Very high	37 Å²	37	49.7 Å²	49.7	19%	0.194	25%	0.252	C	S	.	.	H	α-helix	trans	-66.3	-45.5	176.3	-74.6	167.3	0	0	0	112.1	K258 A270 F271 S272 N278 Y281	K258-L274 HydrophobicContact CB-CD1 3.85Å; K258-L274 HydrophobicContact CB-CD2 4.15Å; K258-L274 HydrophobicContact CD-CD2 4.21Å; A270-L274 WeakPolarHBondContact O-CB 3.38Å; A270-L274 WeakPolarHBondContact O-CD1 3.43Å; A270-L274 WeakPolarHBondContact O-CG 3.45Å; A270-L274 PolarHBondContact O-N 2.99Å; A270-L274 VanDerWaalsContact O-N 3.1Å; F271-L274 PolarHBondContact O-N 3.48Å; S272-L274 VanDerWaalsContact C-N 3.35Å; S272-L274 PolarHBondContact O-N 3.42Å; L274-N278 PolarHBondContact O-N 3.32Å; L274-Y281 HydrophobicContact CB-CD2 4.49Å; L274-Y281 HydrophobicContact CD2-CE2 4.34Å; L274-Y281 WeakPolarHBondContact O-CD2 3.34Å
275	V	94.7	Very high	93.4	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-72.1	-46.4	-173.3	168.8	0	0	0	0	111.8	L259 F271 S272 N278 P279 L282 T319 F325	L259-V275 HydrophobicContact CD1-CG2 4.09Å; F271-V275 HydrophobicContact CD1-CG2 4.47Å; F271-V275 HydrophobicContact CD2-CG2 4.39Å; F271-V275 HydrophobicContact CE1-CG2 4.18Å; F271-V275 HydrophobicContact CE2-CG2 4.09Å; F271-V275 HydrophobicContact CZ-CG2 3.98Å; F271-V275 WeakPolarHBondContact O-CB 3.33Å; F271-V275 WeakPolarHBondContact O-CG2 3.43Å; F271-V275 PolarHBondContact O-N 2.98Å; S272-V275 PolarHBondContact O-N 3Å; V275-N278 CarbonylContact O-C 3.58Å; V275-N278 PolarHBondContact O-N 3.45Å; V275-P279 WeakPolarHBondContact O-CA 3.19Å; V275-P279 VanDerWaalsContact O-N 3.11Å; V275-L282 HydrophobicContact CG1-CD1 3.54Å; V275-L282 HydrophobicContact CG1-CG 3.84Å; V275-L282 HydrophobicContact CG2-CD1 4.17Å; V275-L282 HydrophobicContact CG2-CD2 4.04Å; V275-L282 HydrophobicContact CG2-CG 3.89Å; V275-T319 HydrophobicContact CG1-CG2 3.8Å; V275-F325 HydrophobicContact CG1-CE2 3.47Å; V275-F325 VanDerWaalsContact CG1-CE2 3.47Å; V275-F325 HydrophobicContact CG1-CZ 3.54Å
276	W	94.4	Very high	92.9	Very high	106 Å²	106	46.3 Å²	46.3	40%	0.402	26%	0.262	S	S	.	.	H	α-helix	trans	-74	-28.1	-178.3	-77.1	83.3	0	0	0	113.4	S272 N278 T319 N322 F325 L328	S272-W276 WeakPolarHBondContact O-CB 3.41Å; S272-W276 PolarHBondContact O-N 3.4Å; W276-N278 VanDerWaalsContact C-N 3.3Å; W276-T319 HydrophobicContact CZ2-CG2 4.27Å; W276-N322 WeakPolarHBondContact CH2-OD1 3.48Å; W276-F325 AromaticContact CD2-CD2 3.9Å; W276-F325 HydrophobicContact CD2-CD2 3.9Å; W276-F325 AromaticContact CE2-CD2 3.97Å; W276-F325 HydrophobicContact CE3-CD2 4.04Å; W276-F325 HydrophobicContact CG-CD2 4.42Å; W276-F325 HydrophobicContact CH2-CB 3.65Å; W276-F325 HydrophobicContact CH2-CD2 4.4Å; W276-F325 HydrophobicContact CZ2-CB 3.9Å; W276-F325 HydrophobicContact CZ2-CD2 4.23Å; W276-F325 HydrophobicContact CZ2-CG 4.44Å; W276-F325 HydrophobicContact CZ3-CB 4Å; W276-F325 HydrophobicContact CZ3-CD2 4.28Å; W276-L328 HydrophobicContact CE3-CD1 4.12Å; W276-L328 HydrophobicContact CZ3-CD1 4.38Å
277	N	93.7	Very high	92.6	Very high	125 Å²	125	46.6 Å²	46.6	67%	0.668	26%	0.258	S	S	*	.	H	α-helix	trans	-72.1	-22.4	170.7	-81	-63	0	0	0	113.1	F247 E273	F247-N277 WeakPolarHBondContact CE1-O 3.3Å; E273-N277 VanDerWaalsContact O-CB 3.28Å; E273-N277 WeakPolarHBondContact O-CB 3.38Å; E273-N277 PolarHBondContact O-N 2.91Å; E273-N277 PolarHBondContact O-ND2 3.31Å
278	N	93.3	Very high	92.3	Very high	25 Å²	25	48.7 Å²	48.7	13%	0.134	27%	0.269	C	S	.	.			trans	-157.4	96.7	174.9	-178.1	-0.5	0	0	0	111.1	F247 K248 L274 V275 W276 R280 Y281	F247-N278 HydrophobicContact CD1-CB 4.28Å; K248-N278 PolarHBondContact O-ND2 3.44Å; L274-N278 PolarHBondContact O-N 3.32Å; V275-N278 CarbonylContact O-C 3.58Å; V275-N278 PolarHBondContact O-N 3.45Å; W276-N278 VanDerWaalsContact C-N 3.3Å; N278-R280 PolarHBondContact O-N 2.9Å; N278-R280 VanDerWaalsContact OD1-CB 3.32Å; N278-R280 WeakPolarHBondContact OD1-CB 3.21Å; N278-R280 PolarHBondContact OD1-N 3.28Å; N278-R280 VanDerWaalsContact OD1-N 3.09Å; N278-Y281 HydrophobicContact CB-CD2 3.89Å; N278-Y281 HydrophobicContact CB-CE2 4.09Å; N278-Y281 WeakPolarHBondContact O-CD2 3.17Å; N278-Y281 PolarHBondContact O-N 3.25Å
279	P	92.9	Very high	92.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-59.9	-15.3	-178.5	23.8	-36.8	0	0	0	114.3	F247 V275 Y281 L282 I283 F325 L328 M329	F247-P279 HydrophobicContact CD2-CG 3.94Å; F247-P279 HydrophobicContact CE2-CG 3.86Å; F247-P279 HydrophobicContact CG-CG 4.37Å; F247-P279 HydrophobicContact CZ-CG 4.22Å; V275-P279 WeakPolarHBondContact O-CA 3.19Å; V275-P279 VanDerWaalsContact O-N 3.11Å; P279-Y281 PolarHBondContact O-N 3Å; P279-Y281 VanDerWaalsContact O-N 3.11Å; P279-L282 PolarHBondContact O-N 2.97Å; P279-I283 PolarHBondContact O-N 3.2Å; P279-F325 HydrophobicContact CB-CE1 4.16Å; P279-F325 HydrophobicContact CB-CE2 3.63Å; P279-F325 HydrophobicContact CB-CZ 3.41Å; P279-F325 VanDerWaalsContact CB-CZ 3.41Å; P279-L328 HydrophobicContact CG-CB 4.02Å; P279-M329 HydrophobicContact CB-CE 4.34Å; P279-M329 HydrophobicContact CB-CG 3.56Å; P279-M329 HydrophobicContact CB-SD 3.76Å; P279-M329 HydrophobicContact CG-CE 3.55Å; P279-M329 HydrophobicContact CG-CG 3.65Å; P279-M329 HydrophobicContact CG-SD 3.66Å
280	R	92.3	Very high	92	Very high	27 Å²	27	38.8 Å²	38.8	10%	0.102	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-69.1	-2.1	173	-51.2	-124.5	-77.2	-144	17.9	113.6	E242 F247 S249 P250 N278 L282 I283 T290 M329	E242-R280 IonicContact OE1-NH1 3.78Å; E242-R280 IonicContact OE2-CZ 2.73Å; E242-R280 VanDerWaalsContact OE2-CZ 3.3Å; E242-R280 IonicContact OE2-NH1 3.69Å; E242-R280 PolarHBondContact OE2-NH1 3.49Å; E242-R280 IonicContact OE2-NH2 3.3Å; E242-R280 PolarHBondContact OE2-NH2 2.79Å; F247-R280 HydrophobicContact CB-CG 3.98Å; F247-R280 PolarHBondContact O-NE 3.1Å; F247-R280 PolarHBondContact O-NH2 2.84Å; S249-R280 PolarHBondContact OG-NE 3.48Å; S249-R280 PolarHBondContact OG-NH2 2.6Å; P250-R280 WeakPolarHBondContact CD-O 3.46Å; N278-R280 PolarHBondContact O-N 2.9Å; N278-R280 VanDerWaalsContact OD1-CB 3.32Å; N278-R280 WeakPolarHBondContact OD1-CB 3.21Å; N278-R280 PolarHBondContact OD1-N 3.28Å; N278-R280 VanDerWaalsContact OD1-N 3.09Å; R280-L282 VanDerWaalsContact C-N 3.32Å; R280-I283 WeakPolarHBondContact CA-O 3.37Å; R280-T290 PolarHBondContact O-OG1 2.86Å; R280-M329 HydrophobicContact CG-CE 3.85Å; R280-M329 HydrophobicContact CG-SD 3.89Å
281	Y	93.8	Very high	91.8	Very high	24 Å²	24	39.8 Å²	39.8	9%	0.094	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-69	-26.3	162.1	-84.3	-73.1	0	0	0	113.1	P250 D254 L255 L259 L274 N278 P279 T290	P250-Y281 HydrophobicContact CB-CD1 4.02Å; P250-Y281 HydrophobicContact CB-CE1 3.7Å; P250-Y281 HydrophobicContact CG-CD1 3.74Å; P250-Y281 HydrophobicContact CG-CD2 4Å; P250-Y281 HydrophobicContact CG-CE1 3.8Å; P250-Y281 HydrophobicContact CG-CE2 4.06Å; P250-Y281 HydrophobicContact CG-CG 3.83Å; D254-Y281 HydrophobicContact CB-CE1 4.48Å; L255-Y281 HydrophobicContact CD2-CD1 3.62Å; L255-Y281 HydrophobicContact CD2-CE1 4.05Å; L259-Y281 HydrophobicContact CB-CD1 4.01Å; L259-Y281 HydrophobicContact CB-CE1 4.45Å; L259-Y281 HydrophobicContact CD2-CD1 4.12Å; L259-Y281 WeakPolarHBondContact CD2-O 3.19Å; L259-Y281 HydrophobicContact CG-CD1 4.5Å; L274-Y281 HydrophobicContact CB-CD2 4.49Å; L274-Y281 HydrophobicContact CD2-CE2 4.34Å; L274-Y281 WeakPolarHBondContact O-CD2 3.34Å; N278-Y281 HydrophobicContact CB-CD2 3.89Å; N278-Y281 HydrophobicContact CB-CE2 4.09Å; N278-Y281 WeakPolarHBondContact O-CD2 3.17Å; N278-Y281 PolarHBondContact O-N 3.25Å; P279-Y281 PolarHBondContact O-N 3Å; P279-Y281 VanDerWaalsContact O-N 3.11Å; Y281-T290 WeakPolarHBondContact O-CB 3.36Å; Y281-T290 VanDerWaalsContact O-CG2 3.3Å; Y281-T290 WeakPolarHBondContact O-CG2 3.37Å; Y281-T290 PolarHBondContact O-OG1 3.37Å
282	L	94.1	Very high	91.6	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-40.3	174.6	-60.9	-174.4	0	0	0	112.9	F271 V275 P279 R280 T290 V300 L316 L320 F325 Y349	F271-L282 HydrophobicContact CE2-CD2 4.39Å; F271-L282 HydrophobicContact CZ-CD2 4.15Å; V275-L282 HydrophobicContact CG1-CD1 3.54Å; V275-L282 HydrophobicContact CG1-CG 3.84Å; V275-L282 HydrophobicContact CG2-CD1 4.17Å; V275-L282 HydrophobicContact CG2-CD2 4.04Å; V275-L282 HydrophobicContact CG2-CG 3.89Å; P279-L282 PolarHBondContact O-N 2.97Å; R280-L282 VanDerWaalsContact C-N 3.32Å; L282-T290 WeakPolarHBondContact O-CB 3.24Å; L282-T290 PolarHBondContact O-N 2.79Å; L282-T290 PolarHBondContact O-OG1 3.47Å; L282-V300 HydrophobicContact CD2-CG2 3.86Å; L282-L316 HydrophobicContact CD1-CD1 3.7Å; L282-L316 HydrophobicContact CD2-CD1 3.76Å; L282-L316 HydrophobicContact CG-CD1 4.36Å; L282-L320 HydrophobicContact CB-CD2 4.3Å; L282-L320 HydrophobicContact CD1-CD2 3.95Å; L282-L320 HydrophobicContact CD1-CG 4.16Å; L282-F325 HydrophobicContact CD1-CE1 4.49Å; L282-F325 HydrophobicContact CD1-CZ 4.27Å; L282-Y349 WeakPolarHBondContact CA-OH 3.24Å; L282-Y349 PolarHBondContact O-OH 2.91Å
283	I	93.2	Very high	91.1	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.015	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-105.4	107	-172.4	-62.4	170.8	0	0	0	109.8	P279 R280 L320 F325 M326 M329 Y330 I345	P279-I283 PolarHBondContact O-N 3.2Å; R280-I283 WeakPolarHBondContact CA-O 3.37Å; I283-L320 HydrophobicContact CD1-CD2 4.29Å; I283-L320 HydrophobicContact CG1-CD2 4.35Å; I283-F325 HydrophobicContact CD1-CE1 4.25Å; I283-M326 HydrophobicContact CD1-CE 4.09Å; I283-M326 HydrophobicContact CD1-SD 3.55Å; I283-M326 VanDerWaalsContact CD1-SD 3.55Å; I283-M329 HydrophobicContact CB-SD 4.22Å; I283-M329 HydrophobicContact CD1-CG 4.11Å; I283-M329 HydrophobicContact CG2-SD 4.37Å; I283-Y330 WeakPolarHBondContact CG2-OH 3.48Å; I283-I345 HydrophobicContact CD1-CD1 4.19Å; I283-I345 HydrophobicContact CG1-CD1 4.49Å; I283-I345 HydrophobicContact CG1-CG2 4.3Å; I283-I345 HydrophobicContact CG2-CD1 4.46Å
284	G	88.3	Confident	90.5	Very high	22 Å²	22	41.6 Å²	41.6	23%	0.227	23%	0.233	C	C	.	.			trans	-73.5	168.9	175.3	0	0	0	0	0	112.9	G286 D287 N288	G284-G286 PolarHBondContact O-N 2.88Å; G284-D287 PolarHBondContact O-N 3.12Å; G284-N288 WeakPolarHBondContact CA-O 3.35Å; G284-N288 PolarHBondContact N-O 2.82Å
285	S	79.8	Confident	89.9	Confident	82 Å²	82	43 Å²	43	57%	0.573	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	121.2	174.7	54	0	0	0	0	111
286	G	82.9	Confident	89.5	Confident	55 Å²	55	44.4 Å²	44.4	57%	0.567	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.3	36.5	-176.6	0	0	0	0	0	114.4	G284 N288	G284-G286 PolarHBondContact O-N 2.88Å; G286-N288 VanDerWaalsContact C-N 3.3Å; G286-N288 PolarHBondContact O-N 3.18Å; G286-N288 PolarHBondContact O-ND2 2.8Å
287	D	87.6	Confident	89.3	Confident	31 Å²	31	46.6 Å²	46.6	17%	0.166	27%	0.274	C	S	.	.	S	Bend	trans	62.9	28.4	166.3	-55.9	4.7	0	0	0	114.9	G284 Y330 R341 Y344 I345	G284-D287 PolarHBondContact O-N 3.12Å; D287-Y330 PolarHBondContact OD1-OH 3Å; D287-R341 IonicContact OD1-NH1 3.95Å; D287-R341 WeakPolarHBondContact OD2-CD 3.42Å; D287-R341 IonicContact OD2-CZ 3.61Å; D287-R341 IonicContact OD2-NE 3.25Å; D287-R341 IonicContact OD2-NH1 2.89Å; D287-R341 PolarHBondContact OD2-NH1 3Å; D287-Y344 HydrophobicContact CB-CE1 4.46Å; D287-I345 HydrophobicContact CB-CD1 4.11Å; D287-I345 HydrophobicContact CB-CG1 4.31Å
288	N	90.4	Very high	89.2	Confident	85 Å²	85	42.1 Å²	42.1	46%	0.455	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-100	142.5	178	-67.3	-84.2	0	0	0	111.3	G284 G286 T290	G284-N288 WeakPolarHBondContact CA-O 3.35Å; G284-N288 PolarHBondContact N-O 2.82Å; G286-N288 VanDerWaalsContact C-N 3.3Å; G286-N288 PolarHBondContact O-N 3.18Å; G286-N288 PolarHBondContact O-ND2 2.8Å; N288-T290 PolarHBondContact O-N 3.04Å
289	P	92.3	Very high	89.3	Confident	19 Å²	19	41.2 Å²	41.2	12%	0.123	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-52.8	131.5	170.5	-29.1	35.3	0	0	0	113.2	V291 N299 L348 Y349	P289-V291 PolarHBondContact O-N 3.09Å; P289-N299 HydrophobicContact CB-CB 4Å; P289-L348 HydrophobicContact CG-CB 3.52Å; P289-L348 HydrophobicContact CG-CD1 4.48Å; P289-Y349 HydrophobicContact CB-CD1 4.37Å; P289-Y349 HydrophobicContact CB-CD2 3.9Å; P289-Y349 HydrophobicContact CB-CE1 4.07Å; P289-Y349 HydrophobicContact CB-CE2 3.57Å; P289-Y349 HydrophobicContact CB-CG 4.3Å; P289-Y349 HydrophobicContact CG-CD2 3.79Å; P289-Y349 HydrophobicContact CG-CE2 3.92Å; P289-Y349 HydrophobicContact CG-CG 4.26Å
290	T	92.2	Very high	89.4	Confident	11 Å²	11	41.2 Å²	41.2	7%	0.067	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-65.6	123.2	177.6	-72.7	0	0	0	0	111.2	L255 R280 Y281 L282 N288 V292 Y349	L255-T290 HydrophobicContact CD1-CG2 3.55Å; L255-T290 HydrophobicContact CD2-CG2 3.58Å; L255-T290 HydrophobicContact CG-CG2 4.18Å; R280-T290 PolarHBondContact O-OG1 2.86Å; Y281-T290 WeakPolarHBondContact O-CB 3.36Å; Y281-T290 VanDerWaalsContact O-CG2 3.3Å; Y281-T290 WeakPolarHBondContact O-CG2 3.37Å; Y281-T290 PolarHBondContact O-OG1 3.37Å; L282-T290 WeakPolarHBondContact O-CB 3.24Å; L282-T290 PolarHBondContact O-N 2.79Å; L282-T290 PolarHBondContact O-OG1 3.47Å; N288-T290 PolarHBondContact O-N 3.04Å; T290-V292 PolarHBondContact O-N 3.5Å; T290-Y349 PolarHBondContact N-OH 3.44Å
291	V	91.3	Very high	89.5	Confident	50 Å²	50	39.9 Å²	39.9	30%	0.303	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-79.9	116.2	179.5	173.6	0	0	0	0	110.3	P289 R297 Y298	P289-V291 PolarHBondContact O-N 3.09Å; V291-R297 HydrophobicContact CG1-CB 4.38Å; V291-R297 HydrophobicContact CG2-CB 4.45Å; V291-Y298 WeakPolarHBondContact CA-O 3.46Å
292	V	90.7	Very high	89.6	Confident	2 Å²	2	38.8 Å²	38.8	1%	0.012	23%	0.234	C	C	.	.	S	Bend	trans	-96.6	-5.5	179.7	-65.5	0	0	0	0	113.7	L259 R260 T290 Y298 N299 V300 V303	L259-V292 HydrophobicContact CD2-CG1 3.76Å; L259-V292 HydrophobicContact CG-CG1 4.37Å; R260-V292 HydrophobicContact CB-CB 4.22Å; T290-V292 PolarHBondContact O-N 3.5Å; V292-Y298 WeakPolarHBondContact CG2-O 3.41Å; V292-Y298 PolarHBondContact N-O 3.38Å; V292-N299 WeakPolarHBondContact CG2-O 3.36Å; V292-V300 HydrophobicContact CG1-CG2 4.05Å; V292-V303 HydrophobicContact CG2-CG2 3.59Å
293	Q	86.6	Confident	89.7	Confident	48 Å²	48	38.9 Å²	38.9	22%	0.224	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-144.1	94.7	169.3	-174.7	173.6	-52.4	0	0	110.6	R260 G295 C296 R297 Y298	R260-Q293 VanDerWaalsContact NH1-OE1 3.08Å; Q293-G295 VanDerWaalsContact C-N 3.34Å; Q293-G295 PolarHBondContact O-N 3.38Å; Q293-C296 PolarHBondContact O-N 3.06Å; Q293-R297 VanDerWaalsContact O-CA 3.29Å; Q293-R297 WeakPolarHBondContact O-CA 3.44Å; Q293-R297 PolarHBondContact O-N 3.49Å; Q293-Y298 HydrophobicContact CB-CD2 3.95Å; Q293-Y298 HydrophobicContact CB-CG 4.28Å; Q293-Y298 HydrophobicContact CG-CD2 4.25Å; Q293-Y298 PolarHBondContact N-O 3.17Å; Q293-Y298 PolarHBondContact O-N 3.19Å
294	E	80.9	Confident	89.8	Confident	122 Å²	122	38.8 Å²	38.8	57%	0.57	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-39.5	-168.7	-63.3	179.5	172.3	0	0	114.9	S252 R297	S252-E294 WeakPolarHBondContact CB-OE1 3.1Å; S252-E294 PolarHBondContact OG-OE1 3.06Å; E294-R297 WeakPolarHBondContact O-CG 3.34Å; E294-R297 PolarHBondContact O-N 3.22Å
295	G	83.3	Confident	90.1	Very high	66 Å²	66	37.7 Å²	37.7	68%	0.68	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-47.9	-175.2	0	0	0	0	0	114.2	Q293	Q293-G295 VanDerWaalsContact C-N 3.34Å; Q293-G295 PolarHBondContact O-N 3.38Å
296	C	85.9	Confident	90.8	Very high	29 Å²	29	35.8 Å²	35.8	20%	0.196	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-9.2	177.6	-52.7	0	0	0	0	112.8	Q293 Y298 K355	Q293-C296 PolarHBondContact O-N 3.06Å; C296-Y298 HydrophobicContact CB-CD1 3.71Å; C296-Y298 HydrophobicContact CB-CD2 4.41Å; C296-Y298 HydrophobicContact CB-CE1 3.27Å; C296-Y298 HydrophobicContact CB-CE2 4.07Å; C296-Y298 HydrophobicContact CB-CG 4.25Å; C296-Y298 VanDerWaalsContact CB-CZ 3.49Å; C296-K355 WeakPolarHBondContact O-CB 3.28Å; C296-K355 PolarHBondContact O-N 3.2Å
297	R	89.3	Confident	91.3	Very high	153 Å²	153	36.3 Å²	36.3	58%	0.577	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.7	42.6	-172.8	-62.8	-171.6	170.8	177.4	-7.8	115.1	V291 Q293 E294 N299 K355	V291-R297 HydrophobicContact CG1-CB 4.38Å; V291-R297 HydrophobicContact CG2-CB 4.45Å; Q293-R297 VanDerWaalsContact O-CA 3.29Å; Q293-R297 WeakPolarHBondContact O-CA 3.44Å; Q293-R297 PolarHBondContact O-N 3.49Å; E294-R297 WeakPolarHBondContact O-CG 3.34Å; E294-R297 PolarHBondContact O-N 3.22Å; R297-N299 PolarHBondContact O-N 3.07Å; R297-K355 HydrophobicContact CB-CB 4.23Å; R297-K355 HydrophobicContact CG-CB 4.31Å; R297-K355 HydrophobicContact CG-CD 4.24Å
298	Y	93.2	Very high	91.6	Very high	31 Å²	31	37.3 Å²	37.3	12%	0.122	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-67.8	128.2	172.6	-58.7	-21.6	0	0	0	110.7	V291 V292 Q293 C296 H302 D354 F364	V291-Y298 WeakPolarHBondContact CA-O 3.46Å; V292-Y298 WeakPolarHBondContact CG2-O 3.41Å; V292-Y298 PolarHBondContact N-O 3.38Å; Q293-Y298 HydrophobicContact CB-CD2 3.95Å; Q293-Y298 HydrophobicContact CB-CG 4.28Å; Q293-Y298 HydrophobicContact CG-CD2 4.25Å; Q293-Y298 PolarHBondContact N-O 3.17Å; Q293-Y298 PolarHBondContact O-N 3.19Å; C296-Y298 HydrophobicContact CB-CD1 3.71Å; C296-Y298 HydrophobicContact CB-CD2 4.41Å; C296-Y298 HydrophobicContact CB-CE1 3.27Å; C296-Y298 HydrophobicContact CB-CE2 4.07Å; C296-Y298 HydrophobicContact CB-CG 4.25Å; C296-Y298 VanDerWaalsContact CB-CZ 3.49Å; Y298-H302 HydrophobicContact CD1-CB 4.22Å; Y298-H302 HydrophobicContact CG-CB 4.08Å; Y298-D354 HydrophobicContact CD1-CB 4.11Å; Y298-D354 HydrophobicContact CE1-CB 3.9Å; Y298-F364 HydrophobicContact CD1-CZ 4.21Å; Y298-F364 AromaticContact CE1-CE1 3.89Å; Y298-F364 HydrophobicContact CE1-CE1 3.89Å; Y298-F364 HydrophobicContact CE1-CE2 4.41Å; Y298-F364 AromaticContact CE1-CZ 3.43Å; Y298-F364 HydrophobicContact CE1-CZ 3.43Å; Y298-F364 VanDerWaalsContact CE1-CZ 3.43Å; Y298-F364 HydrophobicContact CE2-CE1 4.3Å; Y298-F364 AromaticContact CZ-CE1 3.75Å; Y298-F364 AromaticContact CZ-CZ 3.67Å
299	N	93.8	Very high	91.8	Very high	5 Å²	5	35.3 Å²	35.3	3%	0.027	19%	0.185	C	C	.	.			trans	-77.4	178.9	161	74.4	13.1	0	0	0	109.9	P289 V292 R297 M301 H302 Y349	P289-N299 HydrophobicContact CB-CB 4Å; V292-N299 WeakPolarHBondContact CG2-O 3.36Å; R297-N299 PolarHBondContact O-N 3.07Å; N299-M301 VanDerWaalsContact C-N 3.34Å; N299-M301 PolarHBondContact O-N 2.88Å; N299-M301 WeakPolarHBondContact OD1-CA 3.4Å; N299-M301 WeakPolarHBondContact OD1-CB 3.22Å; N299-M301 PolarHBondContact OD1-N 2.95Å; N299-H302 VanDerWaalsContact CG-ND1 3.3Å; N299-H302 PolarHBondContact O-N 3.21Å; N299-H302 PolarHBondContact OD1-N 2.83Å; N299-H302 PolarHBondContact OD1-ND1 3.46Å; N299-Y349 HydrophobicContact CB-CD1 4.18Å; N299-Y349 HydrophobicContact CB-CE1 3.92Å; N299-Y349 PolarHBondContact ND2-O 2.73Å
300	V	94.9	Very high	91.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-57.7	-43.8	177.9	178.8	0	0	0	0	112.4	L259 V263 F271 L282 V292 H302 V303 A304 L316 Y349	L259-V300 HydrophobicContact CD2-CG2 4.03Å; V263-V300 HydrophobicContact CG1-CG1 4.26Å; V263-V300 HydrophobicContact CG2-CG1 3.71Å; F271-V300 HydrophobicContact CE2-CG1 3.9Å; F271-V300 HydrophobicContact CZ-CG1 4.35Å; L282-V300 HydrophobicContact CD2-CG2 3.86Å; V292-V300 HydrophobicContact CG1-CG2 4.05Å; V300-H302 PolarHBondContact O-N 3.01Å; V300-V303 PolarHBondContact O-N 3.4Å; V300-A304 PolarHBondContact O-N 2.86Å; V300-L316 HydrophobicContact CB-CD2 3.99Å; V300-L316 HydrophobicContact CG1-CD1 4.47Å; V300-L316 HydrophobicContact CG1-CD2 3.88Å; V300-Y349 HydrophobicContact CB-CE1 3.93Å; V300-Y349 HydrophobicContact CG2-CE1 4.22Å
301	M	95.8	Very high	91.9	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-62.7	-38.6	-175.7	-165.6	63.3	94.7	0	0	112.6	N299 V303 A304 A305 A313 L316 L317 Y349 L350 P361 L377	N299-M301 VanDerWaalsContact C-N 3.34Å; N299-M301 PolarHBondContact O-N 2.88Å; N299-M301 WeakPolarHBondContact OD1-CA 3.4Å; N299-M301 WeakPolarHBondContact OD1-CB 3.22Å; N299-M301 PolarHBondContact OD1-N 2.95Å; M301-V303 VanDerWaalsContact C-N 3.27Å; M301-V303 PolarHBondContact O-N 3.23Å; M301-A304 PolarHBondContact O-N 2.9Å; M301-A305 VanDerWaalsContact O-CB 3.26Å; M301-A305 WeakPolarHBondContact O-CB 3.42Å; M301-A305 PolarHBondContact O-N 3.19Å; M301-A313 HydrophobicContact CE-CB 4.43Å; M301-A313 HydrophobicContact SD-CB 3.71Å; M301-L316 HydrophobicContact CB-CD2 4.01Å; M301-L316 HydrophobicContact CE-CD2 3.88Å; M301-L316 HydrophobicContact SD-CD2 4.09Å; M301-L317 HydrophobicContact CE-CD1 3.95Å; M301-L317 HydrophobicContact CE-CD2 3.81Å; M301-L317 HydrophobicContact CE-CG 3.72Å; M301-Y349 HydrophobicContact CB-CD1 4.35Å; M301-Y349 WeakPolarHBondContact CB-O 3.36Å; M301-L350 HydrophobicContact CE-CD2 4.2Å; M301-P361 HydrophobicContact CB-CB 4.16Å; M301-P361 HydrophobicContact CB-CG 4.07Å; M301-P361 HydrophobicContact CG-CB 3.65Å; M301-P361 HydrophobicContact CG-CG 4.01Å; M301-L377 HydrophobicContact CE-CD2 3.84Å; M301-L377 HydrophobicContact CG-CD2 3.87Å; M301-L377 HydrophobicContact SD-CD2 3.83Å
302	H	95.3	Very high	92.1	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-59.1	-36.5	172.6	-72.6	83.6	0	0	0	112.7	Y298 N299 V300 K306 T352 D354 E359 F364	Y298-H302 HydrophobicContact CD1-CB 4.22Å; Y298-H302 HydrophobicContact CG-CB 4.08Å; N299-H302 VanDerWaalsContact CG-ND1 3.3Å; N299-H302 PolarHBondContact O-N 3.21Å; N299-H302 PolarHBondContact OD1-N 2.83Å; N299-H302 PolarHBondContact OD1-ND1 3.46Å; V300-H302 PolarHBondContact O-N 3.01Å; H302-K306 VanDerWaalsContact O-CB 3.28Å; H302-K306 WeakPolarHBondContact O-CB 3.33Å; H302-K306 PolarHBondContact O-N 2.48Å; H302-K306 VanDerWaalsContact O-N 3.11Å; H302-T352 PolarHBondContact CE1-O 2.88Å; H302-D354 PolarHBondContact NE2-N 3.39Å; H302-E359 PolarHBondContact NE2-O 2.95Å; H302-F364 AromaticContact CD2-CD2 3.84Å; H302-F364 AromaticContact CD2-CE2 3.71Å
303	V	95.1	Very high	92.3	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.012	18%	0.183	C	C	.	.	H	α-helix	trans	-75.3	-43.3	179.4	-178.1	0	0	0	0	110.6	R260 V263 E264 V292 V300 M301 A305 K306 E307	R260-V303 HydrophobicContact CG-CG1 4.24Å; V263-V303 HydrophobicContact CB-CG1 4.43Å; V263-V303 HydrophobicContact CG1-CB 4Å; V263-V303 HydrophobicContact CG1-CG1 3.82Å; E264-V303 HydrophobicContact CG-CG1 3.6Å; V292-V303 HydrophobicContact CG2-CG2 3.59Å; V300-V303 PolarHBondContact O-N 3.4Å; M301-V303 VanDerWaalsContact C-N 3.27Å; M301-V303 PolarHBondContact O-N 3.23Å; V303-A305 VanDerWaalsContact C-N 3.34Å; V303-A305 PolarHBondContact O-N 2.97Å; V303-K306 PolarHBondContact O-N 3.3Å; V303-K306 VanDerWaalsContact O-N 3.17Å; V303-E307 PolarHBondContact O-N 2.99Å
304	A	96.1	Very high	92.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-59.1	-44.7	174.5	0	0	0	0	0	111.8	V263 V300 M301 K306 E307 N308 Q309 A313	V263-A304 HydrophobicContact CG1-CB 4.11Å; V300-A304 PolarHBondContact O-N 2.86Å; M301-A304 PolarHBondContact O-N 2.9Å; A304-K306 VanDerWaalsContact C-N 3.33Å; A304-K306 PolarHBondContact O-N 3.49Å; A304-E307 PolarHBondContact O-N 2.9Å; A304-N308 PolarHBondContact O-N 2.79Å; A304-N308 VanDerWaalsContact O-N 3.12Å; A304-Q309 HydrophobicContact CB-CB 4.36Å; A304-Q309 PolarHBondContact O-N 3.05Å; A304-A313 HydrophobicContact CB-CB 4.31Å
305	A	95.6	Very high	93.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-63.5	-32.2	174.9	0	0	0	0	0	113.9	M301 V303 P361 F364 A365 C370 V373	M301-A305 VanDerWaalsContact O-CB 3.26Å; M301-A305 WeakPolarHBondContact O-CB 3.42Å; M301-A305 PolarHBondContact O-N 3.19Å; V303-A305 VanDerWaalsContact C-N 3.34Å; V303-A305 PolarHBondContact O-N 2.97Å; A305-P361 WeakPolarHBondContact CB-O 3.5Å; A305-F364 HydrophobicContact CB-CB 3.92Å; A305-A365 HydrophobicContact CB-CB 4.01Å; A305-C370 PolarHBondContact O-SG 3.49Å; A305-V373 HydrophobicContact CB-CG1 4.14Å
306	K	93	Very high	94	Very high	42 Å²	42	25.8 Å²	25.8	18%	0.183	13%	0.129	C	C	.	.	H	α-helix	trans	-73.7	-31.5	179.8	179.2	170.9	151.5	-74	0	113.6	H302 V303 A304 F364 F368 K403	H302-K306 VanDerWaalsContact O-CB 3.28Å; H302-K306 WeakPolarHBondContact O-CB 3.33Å; H302-K306 PolarHBondContact O-N 2.48Å; H302-K306 VanDerWaalsContact O-N 3.11Å; V303-K306 PolarHBondContact O-N 3.3Å; V303-K306 VanDerWaalsContact O-N 3.17Å; A304-K306 VanDerWaalsContact C-N 3.33Å; A304-K306 PolarHBondContact O-N 3.49Å; K306-F364 HydrophobicContact CB-CD1 4.23Å; K306-F368 HydrophobicContact CB-CD2 4.26Å; K306-F368 HydrophobicContact CB-CE2 4.25Å; K306-F368 HydrophobicContact CD-CE2 4.43Å; K306-F368 HydrophobicContact CG-CD2 4.19Å; K306-F368 HydrophobicContact CG-CE2 3.87Å; K306-F368 HydrophobicContact CG-CZ 4.13Å; K306-K403 PolarHBondContact O-NZ 2.79Å
307	E	93.6	Very high	94.4	Very high	66 Å²	66	24.5 Å²	24.5	31%	0.308	12%	0.12	S	C	.	.	H	α-helix	trans	-110.9	12.3	-177.3	-51.8	-52.5	168	0	0	115	E264 V303 A304 Q309 K403	E264-E307 HydrophobicContact CG-CG 4.36Å; V303-E307 PolarHBondContact O-N 2.99Å; A304-E307 PolarHBondContact O-N 2.9Å; E307-Q309 HydrophobicContact CB-CG 4.13Å; E307-K403 IonicContact OE2-NZ 2.88Å; E307-K403 PolarHBondContact OE2-NZ 3.06Å
308	N	94	Very high	94.6	Very high	51 Å²	51	20.3 Å²	20.3	27%	0.273	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	43.7	179.6	-161.3	61.9	0	0	0	114.8	A304 A310 C370 D372	A304-N308 PolarHBondContact O-N 2.79Å; A304-N308 VanDerWaalsContact O-N 3.12Å; N308-A310 PolarHBondContact O-N 3.38Å; N308-C370 HydrophobicContact CB-CB 4.14Å; N308-C370 WeakPolarHBondContact OD1-CA 3.38Å; N308-C370 WeakPolarHBondContact OD1-CB 3.4Å; N308-D372 PolarHBondContact ND2-OD2 3.05Å
309	Q	95.1	Very high	94.7	Very high	43 Å²	43	19 Å²	19	20%	0.201	10%	0.104	C	C	.	.			trans	-101	72.2	-174.3	-60.7	-73.3	11.2	0	0	111	V263 E264 K265 G266 A304 E307 I312 A313	V263-Q309 WeakPolarHBondContact O-CG 3.42Å; E264-Q309 PolarHBondContact O-NE2 3.02Å; E264-Q309 VanDerWaalsContact O-NE2 3.08Å; K265-Q309 PolarHBondContact O-NE2 3.41Å; G266-Q309 VanDerWaalsContact CA-CD 3.48Å; G266-Q309 VanDerWaalsContact N-NE2 3.2Å; A304-Q309 HydrophobicContact CB-CB 4.36Å; A304-Q309 PolarHBondContact O-N 3.05Å; E307-Q309 HydrophobicContact CB-CG 4.13Å; Q309-I312 HydrophobicContact CB-CB 4.48Å; Q309-I312 PolarHBondContact O-N 2.9Å; Q309-A313 PolarHBondContact O-N 3.5Å
310	A	93.5	Very high	94.8	Very high	21 Å²	21	18.8 Å²	18.8	17%	0.174	10%	0.103	C	C	.	.	H	α-helix	trans	-66	-39.1	-172.3	0	0	0	0	0	114	N308 I312 A313 Q314 D372 V373 V376	N308-A310 PolarHBondContact O-N 3.38Å; A310-I312 VanDerWaalsContact C-N 3.34Å; A310-I312 PolarHBondContact O-N 3.14Å; A310-A313 WeakPolarHBondContact O-CB 3.35Å; A310-A313 PolarHBondContact O-N 2.82Å; A310-A313 VanDerWaalsContact O-N 3.12Å; A310-Q314 PolarHBondContact O-N 2.98Å; A310-D372 HydrophobicContact CB-CB 3.67Å; A310-V373 HydrophobicContact CB-CG2 4.05Å; A310-V376 HydrophobicContact CB-CG2 4.35Å
311	G	92.8	Very high	94.7	Very high	28 Å²	28	21.9 Å²	21.9	29%	0.289	12%	0.118	S	C	.	.	H	α-helix	trans	-61.2	-41	176.4	0	0	0	0	0	112.7	E268 Q314 L315	E268-G311 WeakPolarHBondContact OE1-CA 3.5Å; G311-Q314 PolarHBondContact O-N 2.76Å; G311-L315 WeakPolarHBondContact O-CB 3.23Å; G311-L315 PolarHBondContact O-N 2.85Å
312	I	95.6	Very high	94.6	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-70.2	-32.9	173.2	-67.1	-174	0	0	0	112.2	V263 E268 F271 Q309 A310 L316	V263-I312 HydrophobicContact CB-CG2 4.48Å; V263-I312 HydrophobicContact CG1-CG2 4.19Å; V263-I312 HydrophobicContact CG2-CG2 4.11Å; E268-I312 HydrophobicContact CG-CG1 3.76Å; F271-I312 HydrophobicContact CB-CD1 4.45Å; F271-I312 HydrophobicContact CD2-CG2 4.16Å; F271-I312 HydrophobicContact CE2-CG2 4.22Å; F271-I312 HydrophobicContact CG-CG2 4.33Å; F271-I312 HydrophobicContact CZ-CG2 4.44Å; Q309-I312 HydrophobicContact CB-CB 4.48Å; Q309-I312 PolarHBondContact O-N 2.9Å; A310-I312 VanDerWaalsContact C-N 3.34Å; A310-I312 PolarHBondContact O-N 3.14Å; I312-L316 WeakPolarHBondContact O-CB 3.47Å; I312-L316 PolarHBondContact O-N 3.26Å
313	A	96	Very high	94.5	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-64.2	-41.2	173.1	0	0	0	0	0	111.8	M301 A304 Q309 A310 L317 V373 V376	M301-A313 HydrophobicContact CE-CB 4.43Å; M301-A313 HydrophobicContact SD-CB 3.71Å; A304-A313 HydrophobicContact CB-CB 4.31Å; Q309-A313 PolarHBondContact O-N 3.5Å; A310-A313 WeakPolarHBondContact O-CB 3.35Å; A310-A313 PolarHBondContact O-N 2.82Å; A310-A313 VanDerWaalsContact O-N 3.12Å; A313-L317 PolarHBondContact O-N 2.65Å; A313-V373 HydrophobicContact CB-CG1 4.09Å; A313-V376 HydrophobicContact CB-CG1 4.07Å
314	Q	93.9	Very high	94.4	Very high	36 Å²	36	31.1 Å²	31.1	17%	0.168	17%	0.165	C	C	.	.	H	α-helix	trans	-67.5	-51.9	175.3	-174.3	58.4	44	0	0	111.3	A310 G311 L316 L317 D318 V376	A310-Q314 PolarHBondContact O-N 2.98Å; G311-Q314 PolarHBondContact O-N 2.76Å; Q314-L316 PolarHBondContact O-N 3.14Å; Q314-L317 WeakPolarHBondContact O-CA 3.39Å; Q314-L317 PolarHBondContact O-N 3.18Å; Q314-D318 PolarHBondContact NE2-OD1 3.09Å; Q314-D318 PolarHBondContact O-N 3.35Å; Q314-V376 HydrophobicContact CB-CG1 4.35Å; Q314-V376 HydrophobicContact CB-CG2 4.37Å
315	L	95	Very high	94.3	Very high	33 Å²	33	31.1 Å²	31.1	17%	0.173	17%	0.165	C	C	.	.	H	α-helix	trans	-58.9	-31.3	179.8	-178.9	60.1	0	0	0	113.3	E268 F271 G311 T319	E268-L315 HydrophobicContact CB-CD2 3.8Å; E268-L315 HydrophobicContact CG-CD2 4.04Å; F271-L315 HydrophobicContact CD1-CD2 3.78Å; F271-L315 HydrophobicContact CD1-CG 4.02Å; F271-L315 HydrophobicContact CE1-CD2 4.46Å; F271-L315 HydrophobicContact CE1-CG 4.22Å; G311-L315 WeakPolarHBondContact O-CB 3.23Å; G311-L315 PolarHBondContact O-N 2.85Å; L315-T319 VanDerWaalsContact O-CB 3.24Å; L315-T319 WeakPolarHBondContact O-CB 3.29Å; L315-T319 PolarHBondContact O-N 3.48Å; L315-T319 PolarHBondContact O-OG1 3.23Å
316	L	96.1	Very high	94.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-65	-45.2	171.4	171.2	64.4	0	0	0	111.8	F271 L282 V300 M301 I312 Q314 L320 Y349	F271-L316 HydrophobicContact CE1-CB 4.48Å; F271-L316 HydrophobicContact CZ-CB 4.19Å; F271-L316 HydrophobicContact CZ-CD1 4.12Å; L282-L316 HydrophobicContact CD1-CD1 3.7Å; L282-L316 HydrophobicContact CD2-CD1 3.76Å; L282-L316 HydrophobicContact CG-CD1 4.36Å; V300-L316 HydrophobicContact CB-CD2 3.99Å; V300-L316 HydrophobicContact CG1-CD1 4.47Å; V300-L316 HydrophobicContact CG1-CD2 3.88Å; M301-L316 HydrophobicContact CB-CD2 4.01Å; M301-L316 HydrophobicContact CE-CD2 3.88Å; M301-L316 HydrophobicContact SD-CD2 4.09Å; I312-L316 WeakPolarHBondContact O-CB 3.47Å; I312-L316 PolarHBondContact O-N 3.26Å; Q314-L316 PolarHBondContact O-N 3.14Å; L316-L320 HydrophobicContact CD1-CD1 3.74Å; L316-L320 HydrophobicContact CD1-CG 4.28Å; L316-L320 HydrophobicContact CG-CD1 4.17Å; L316-L320 WeakPolarHBondContact O-CB 3.46Å; L316-L320 VanDerWaalsContact O-CG 3.28Å; L316-L320 WeakPolarHBondContact O-CG 3.37Å; L316-L320 PolarHBondContact O-N 3.48Å; L316-L320 VanDerWaalsContact O-N 3.12Å; L316-Y349 HydrophobicContact CD1-CD1 4.4Å; L316-Y349 HydrophobicContact CD1-CE1 4.17Å; L316-Y349 HydrophobicContact CD2-CD1 3.92Å; L316-Y349 HydrophobicContact CD2-CE1 4.16Å
317	L	94.9	Very high	94.1	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.01	17%	0.172	C	C	.	.	H	α-helix	trans	-68.8	-50.4	177.6	-65.3	171.6	0	0	0	110.5	M301 A313 Q314 T319 L320 E321 V346 L350 V376 H380	M301-L317 HydrophobicContact CE-CD1 3.95Å; M301-L317 HydrophobicContact CE-CD2 3.81Å; M301-L317 HydrophobicContact CE-CG 3.72Å; A313-L317 PolarHBondContact O-N 2.65Å; Q314-L317 WeakPolarHBondContact O-CA 3.39Å; Q314-L317 PolarHBondContact O-N 3.18Å; L317-T319 PolarHBondContact O-N 2.75Å; L317-T319 VanDerWaalsContact O-N 3.13Å; L317-L320 PolarHBondContact O-N 2.7Å; L317-E321 WeakPolarHBondContact O-CB 3.4Å; L317-E321 WeakPolarHBondContact O-CG 3.44Å; L317-E321 PolarHBondContact O-N 2.71Å; L317-V346 HydrophobicContact CD2-CG1 3.99Å; L317-L350 HydrophobicContact CD1-CD2 4.3Å; L317-L350 HydrophobicContact CD2-CD1 4.5Å; L317-L350 HydrophobicContact CD2-CD2 3.89Å; L317-L350 HydrophobicContact CD2-CG 4.19Å; L317-V376 HydrophobicContact CD1-CG1 4.08Å; L317-H380 HydrophobicContact CD1-CB 4.49Å
318	D	94.2	Very high	94	Very high	65 Å²	65	32.2 Å²	32.2	35%	0.348	17%	0.172	S	C	.	.	H	α-helix	trans	-52.7	-38.8	176.6	-65.8	-26.8	0	0	0	112	Q314 N322	Q314-D318 PolarHBondContact NE2-OD1 3.09Å; Q314-D318 PolarHBondContact O-N 3.35Å; D318-N322 VanDerWaalsContact O-CB 3.24Å; D318-N322 WeakPolarHBondContact O-CB 3.34Å; D318-N322 PolarHBondContact O-N 3.09Å
319	T	95.4	Very high	93.7	Very high	4 Å²	4	30 Å²	30	3%	0.025	16%	0.16	C	C	.	.	H	α-helix	trans	-75.1	-34.8	178.3	-58.3	0	0	0	0	112.9	V275 W276 L315 L317 F325	V275-T319 HydrophobicContact CG1-CG2 3.8Å; W276-T319 HydrophobicContact CZ2-CG2 4.27Å; L315-T319 VanDerWaalsContact O-CB 3.24Å; L315-T319 WeakPolarHBondContact O-CB 3.29Å; L315-T319 PolarHBondContact O-N 3.48Å; L315-T319 PolarHBondContact O-OG1 3.23Å; L317-T319 PolarHBondContact O-N 2.75Å; L317-T319 VanDerWaalsContact O-N 3.13Å; T319-F325 HydrophobicContact CG2-CB 4.4Å; T319-F325 HydrophobicContact CG2-CD1 3.87Å; T319-F325 HydrophobicContact CG2-CD2 3.63Å; T319-F325 HydrophobicContact CG2-CE1 3.99Å; T319-F325 HydrophobicContact CG2-CE2 3.76Å; T319-F325 HydrophobicContact CG2-CG 3.69Å; T319-F325 HydrophobicContact CG2-CZ 3.93Å; T319-F325 WeakPolarHBondContact O-CB 3.38Å; T319-F325 WeakPolarHBondContact O-CD1 3.23Å; T319-F325 WeakPolarHBondContact O-CG 3.2Å
320	L	94.4	Very high	93.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-80.6	-30.2	179.1	-71.7	172.7	0	0	0	113.2	L282 I283 L316 L317 N322 F325 I345 V346 Y349	L282-L320 HydrophobicContact CB-CD2 4.3Å; L282-L320 HydrophobicContact CD1-CD2 3.95Å; L282-L320 HydrophobicContact CD1-CG 4.16Å; I283-L320 HydrophobicContact CD1-CD2 4.29Å; I283-L320 HydrophobicContact CG1-CD2 4.35Å; L316-L320 HydrophobicContact CD1-CD1 3.74Å; L316-L320 HydrophobicContact CD1-CG 4.28Å; L316-L320 HydrophobicContact CG-CD1 4.17Å; L316-L320 WeakPolarHBondContact O-CB 3.46Å; L316-L320 VanDerWaalsContact O-CG 3.28Å; L316-L320 WeakPolarHBondContact O-CG 3.37Å; L316-L320 PolarHBondContact O-N 3.48Å; L316-L320 VanDerWaalsContact O-N 3.12Å; L317-L320 PolarHBondContact O-N 2.7Å; L320-N322 VanDerWaalsContact C-N 3.33Å; L320-F325 HydrophobicContact CD2-CE1 4.26Å; L320-I345 HydrophobicContact CD2-CG2 4.01Å; L320-V346 HydrophobicContact CB-CG2 3.79Å; L320-Y349 HydrophobicContact CD1-CD2 3.39Å; L320-Y349 HydrophobicContact CD1-CE2 3.79Å; L320-Y349 HydrophobicContact CD1-CG 3.81Å
321	E	94.3	Very high	93.1	Very high	66 Å²	66	31.4 Å²	31.4	31%	0.308	17%	0.169	S	C	.	.	H	α-helix	trans	-75.3	-22.8	172.5	-70.5	176.8	-130.9	0	0	112.3	L317 P323 V346 H380	L317-E321 WeakPolarHBondContact O-CB 3.4Å; L317-E321 WeakPolarHBondContact O-CG 3.44Å; L317-E321 PolarHBondContact O-N 2.71Å; E321-P323 VanDerWaalsContact O-CD 3.31Å; E321-P323 WeakPolarHBondContact O-CD 3.38Å; E321-V346 HydrophobicContact CG-CG2 4.21Å; E321-H380 IonicContact OE1-CD2 3.67Å; E321-H380 PolarHBondContact OE1-CD2 2.75Å; E321-H380 IonicContact OE1-NE2 3.79Å
322	N	93.8	Very high	92.8	Very high	42 Å²	42	37 Å²	37	23%	0.225	19%	0.192	C	C	.	.			trans	-67.4	119.3	-177.8	178.8	-98	0	0	0	112.5	W276 D318 L320 E324 F325 M326	W276-N322 WeakPolarHBondContact CH2-OD1 3.48Å; D318-N322 VanDerWaalsContact O-CB 3.24Å; D318-N322 WeakPolarHBondContact O-CB 3.34Å; D318-N322 PolarHBondContact O-N 3.09Å; L320-N322 VanDerWaalsContact C-N 3.33Å; N322-E324 VanDerWaalsContact C-N 3.35Å; N322-E324 PolarHBondContact ND2-OE2 2.93Å; N322-E324 PolarHBondContact O-N 3.48Å; N322-E324 WeakPolarHBondContact OD1-CA 3.27Å; N322-E324 WeakPolarHBondContact OD1-CB 3.45Å; N322-E324 PolarHBondContact OD1-N 2.8Å; N322-E324 VanDerWaalsContact OD1-N 3.14Å; N322-E324 PolarHBondContact OD1-OE2 3.49Å; N322-F325 HydrophobicContact CB-CB 4.22Å; N322-F325 PolarHBondContact O-N 3.4Å; N322-F325 PolarHBondContact OD1-N 2.74Å; N322-M326 WeakPolarHBondContact O-CG 3.43Å; N322-M326 PolarHBondContact O-N 3.07Å
323	P	93.1	Very high	92.5	Very high	36 Å²	36	39 Å²	39	23%	0.234	20%	0.203	C	C	.	.	H	α-helix	trans	-64.6	-34.3	-179.2	-23.7	35.6	0	0	0	113.6	E321 M326 H327 L338	E321-P323 VanDerWaalsContact O-CD 3.31Å; E321-P323 WeakPolarHBondContact O-CD 3.38Å; P323-M326 PolarHBondContact O-N 3.42Å; P323-H327 PolarHBondContact O-N 2.91Å; P323-H327 PolarHBondContact O-ND1 3.34Å; P323-L338 HydrophobicContact CB-CD2 4.37Å
324	E	92.6	Very high	92.3	Very high	119 Å²	119	46 Å²	46	56%	0.556	24%	0.236	S	C	*	.	H	α-helix	trans	-66.7	-42.1	-178.8	-64.2	77	-169.4	0	0	112.2	N322 M326 H327 L328	N322-E324 VanDerWaalsContact C-N 3.35Å; N322-E324 PolarHBondContact ND2-OE2 2.93Å; N322-E324 PolarHBondContact O-N 3.48Å; N322-E324 WeakPolarHBondContact OD1-CA 3.27Å; N322-E324 WeakPolarHBondContact OD1-CB 3.45Å; N322-E324 PolarHBondContact OD1-N 2.8Å; N322-E324 VanDerWaalsContact OD1-N 3.14Å; N322-E324 PolarHBondContact OD1-OE2 3.49Å; E324-M326 VanDerWaalsContact C-N 3.3Å; E324-M326 PolarHBondContact O-N 3.17Å; E324-H327 PolarHBondContact O-N 3.03Å; E324-L328 PolarHBondContact O-N 3.41Å
325	F	93.8	Very high	92.2	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-58.7	-43.7	171.2	178.6	-102.8	0	0	0	111	V275 W276 P279 L282 I283 T319 L320 N322 L328	V275-F325 HydrophobicContact CG1-CE2 3.47Å; V275-F325 VanDerWaalsContact CG1-CE2 3.47Å; V275-F325 HydrophobicContact CG1-CZ 3.54Å; W276-F325 AromaticContact CD2-CD2 3.9Å; W276-F325 HydrophobicContact CD2-CD2 3.9Å; W276-F325 AromaticContact CE2-CD2 3.97Å; W276-F325 HydrophobicContact CE3-CD2 4.04Å; W276-F325 HydrophobicContact CG-CD2 4.42Å; W276-F325 HydrophobicContact CH2-CB 3.65Å; W276-F325 HydrophobicContact CH2-CD2 4.4Å; W276-F325 HydrophobicContact CZ2-CB 3.9Å; W276-F325 HydrophobicContact CZ2-CD2 4.23Å; W276-F325 HydrophobicContact CZ2-CG 4.44Å; W276-F325 HydrophobicContact CZ3-CB 4Å; W276-F325 HydrophobicContact CZ3-CD2 4.28Å; P279-F325 HydrophobicContact CB-CE1 4.16Å; P279-F325 HydrophobicContact CB-CE2 3.63Å; P279-F325 HydrophobicContact CB-CZ 3.41Å; P279-F325 VanDerWaalsContact CB-CZ 3.41Å; L282-F325 HydrophobicContact CD1-CE1 4.49Å; L282-F325 HydrophobicContact CD1-CZ 4.27Å; I283-F325 HydrophobicContact CD1-CE1 4.25Å; T319-F325 HydrophobicContact CG2-CB 4.4Å; T319-F325 HydrophobicContact CG2-CD1 3.87Å; T319-F325 HydrophobicContact CG2-CD2 3.63Å; T319-F325 HydrophobicContact CG2-CE1 3.99Å; T319-F325 HydrophobicContact CG2-CE2 3.76Å; T319-F325 HydrophobicContact CG2-CG 3.69Å; T319-F325 HydrophobicContact CG2-CZ 3.93Å; T319-F325 WeakPolarHBondContact O-CB 3.38Å; T319-F325 WeakPolarHBondContact O-CD1 3.23Å; T319-F325 WeakPolarHBondContact O-CG 3.2Å; L320-F325 HydrophobicContact CD2-CE1 4.26Å; N322-F325 HydrophobicContact CB-CB 4.22Å; N322-F325 PolarHBondContact O-N 3.4Å; N322-F325 PolarHBondContact OD1-N 2.74Å; F325-L328 HydrophobicContact CD2-CD1 4.19Å; F325-L328 WeakPolarHBondContact O-CB 3.43Å; F325-L328 WeakPolarHBondContact O-CG 3.47Å; F325-L328 PolarHBondContact O-N 2.9Å
326	M	92.6	Very high	92	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-72	-31.1	-176.9	-68.2	-67.9	-69.5	0	0	112.5	I283 N322 P323 E324 L328 M329 Y330 L338 I342 I345	I283-M326 HydrophobicContact CD1-CE 4.09Å; I283-M326 HydrophobicContact CD1-SD 3.55Å; I283-M326 VanDerWaalsContact CD1-SD 3.55Å; N322-M326 WeakPolarHBondContact O-CG 3.43Å; N322-M326 PolarHBondContact O-N 3.07Å; P323-M326 PolarHBondContact O-N 3.42Å; E324-M326 VanDerWaalsContact C-N 3.3Å; E324-M326 PolarHBondContact O-N 3.17Å; M326-L328 PolarHBondContact O-N 3.12Å; M326-M329 CarbonylContact O-C 2.99Å; M326-M329 PolarHBondContact O-N 2.9Å; M326-Y330 HydrophobicContact CE-CD2 4.25Å; M326-Y330 HydrophobicContact CE-CE2 3.91Å; M326-Y330 WeakPolarHBondContact O-CD2 3.45Å; M326-Y330 PolarHBondContact O-N 3.3Å; M326-L338 HydrophobicContact CB-CD1 3.94Å; M326-L338 HydrophobicContact CB-CD2 4.48Å; M326-L338 HydrophobicContact CB-CG 4.34Å; M326-I342 HydrophobicContact CB-CD1 4.31Å; M326-I342 HydrophobicContact CB-CG1 4.24Å; M326-I342 HydrophobicContact CE-CG1 3.88Å; M326-I342 HydrophobicContact CG-CD1 4.18Å; M326-I342 HydrophobicContact CG-CG1 3.78Å; M326-I345 HydrophobicContact CE-CD1 3.81Å
327	H	91.3	Very high	91.8	Very high	69 Å²	69	56.5 Å²	56.5	32%	0.319	29%	0.292	S	S	.	.	H	α-helix	trans	-63.7	-19.8	167.9	-77.1	98.1	0	0	0	113.4	P323 E324 M329 P331 L338	P323-H327 PolarHBondContact O-N 2.91Å; P323-H327 PolarHBondContact O-ND1 3.34Å; E324-H327 PolarHBondContact O-N 3.03Å; H327-M329 PolarHBondContact O-N 2.88Å; H327-P331 WeakPolarHBondContact O-CA 3.43Å; H327-P331 WeakPolarHBondContact O-CD 3.44Å; H327-L338 WeakPolarHBondContact CE1-CD2 3.34Å; H327-L338 WeakPolarHBondContact ND1-CD2 3.34Å
328	L	91.1	Very high	91.8	Very high	61 Å²	61	56.4 Å²	56.4	32%	0.319	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-20.5	169.7	-52.2	175.4	0	0	0	112.5	N245 F247 W276 P279 E324 F325 M326	N245-L328 PolarHBondContact OD1-O 2.98Å; N245-L328 VanDerWaalsContact OD1-O 3.07Å; F247-L328 HydrophobicContact CE2-CB 4.21Å; F247-L328 WeakPolarHBondContact CE2-O 3.48Å; W276-L328 HydrophobicContact CE3-CD1 4.12Å; W276-L328 HydrophobicContact CZ3-CD1 4.38Å; P279-L328 HydrophobicContact CG-CB 4.02Å; E324-L328 PolarHBondContact O-N 3.41Å; F325-L328 HydrophobicContact CD2-CD1 4.19Å; F325-L328 WeakPolarHBondContact O-CB 3.43Å; F325-L328 WeakPolarHBondContact O-CG 3.47Å; F325-L328 PolarHBondContact O-N 2.9Å; M326-L328 PolarHBondContact O-N 3.12Å
329	M	88.1	Confident	91.7	Very high	4 Å²	4	57.2 Å²	57.2	2%	0.02	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106	-17.1	175.2	-66.7	-84.8	74.1	0	0	113.3	N245 F247 P279 R280 I283 M326 H327	N245-M329 HydrophobicContact CB-CE 3.73Å; N245-M329 VanDerWaalsContact CG-C 3.49Å; N245-M329 VanDerWaalsContact CG-CA 3.49Å; N245-M329 VanDerWaalsContact CG-O 3.24Å; N245-M329 VanDerWaalsContact ND2-C 3.32Å; N245-M329 WeakPolarHBondContact ND2-CA 3.1Å; N245-M329 PolarHBondContact ND2-O 3.17Å; N245-M329 VanDerWaalsContact OD1-CA 3.29Å; N245-M329 WeakPolarHBondContact OD1-CA 3.3Å; N245-M329 PolarHBondContact OD1-O 3.27Å; F247-M329 HydrophobicContact CB-CE 4.41Å; F247-M329 HydrophobicContact CD2-CE 3.65Å; F247-M329 HydrophobicContact CE2-CE 4.39Å; F247-M329 HydrophobicContact CG-CE 4.38Å; P279-M329 HydrophobicContact CB-CE 4.34Å; P279-M329 HydrophobicContact CB-CG 3.56Å; P279-M329 HydrophobicContact CB-SD 3.76Å; P279-M329 HydrophobicContact CG-CE 3.55Å; P279-M329 HydrophobicContact CG-CG 3.65Å; P279-M329 HydrophobicContact CG-SD 3.66Å; R280-M329 HydrophobicContact CG-CE 3.85Å; R280-M329 HydrophobicContact CG-SD 3.89Å; I283-M329 HydrophobicContact CB-SD 4.22Å; I283-M329 HydrophobicContact CD1-CG 4.11Å; I283-M329 HydrophobicContact CG2-SD 4.37Å; M326-M329 CarbonylContact O-C 2.99Å; M326-M329 PolarHBondContact O-N 2.9Å; H327-M329 PolarHBondContact O-N 2.88Å
330	Y	89.6	Confident	91.6	Very high	19 Å²	19	63.1 Å²	63.1	8%	0.075	32%	0.319	C	S	.	.			trans	-145.5	63.7	-176.7	-47.6	-76.1	0	0	0	111.7	I283 D287 M326 D332 D333 L338 R341 I345	I283-Y330 WeakPolarHBondContact CG2-OH 3.48Å; D287-Y330 PolarHBondContact OD1-OH 3Å; M326-Y330 HydrophobicContact CE-CD2 4.25Å; M326-Y330 HydrophobicContact CE-CE2 3.91Å; M326-Y330 WeakPolarHBondContact O-CD2 3.45Å; M326-Y330 PolarHBondContact O-N 3.3Å; Y330-D332 PolarHBondContact O-N 3.46Å; Y330-D333 PolarHBondContact O-N 3.37Å; Y330-L338 HydrophobicContact CD2-CD1 4.16Å; Y330-L338 HydrophobicContact CG-CD1 4.42Å; Y330-R341 VanDerWaalsContact CE1-CD 3.46Å; Y330-R341 VanDerWaalsContact CE1-NH1 3.26Å; Y330-R341 HydrophobicContact CE2-CG 4.49Å; Y330-I345 HydrophobicContact CE2-CD1 4.49Å
331	P	87	Confident	91.5	Very high	75 Å²	75	66.2 Å²	66.2	49%	0.487	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-19.1	-174.9	28.8	-37.1	0	0	0	114.1	N245 H327	N245-P331 WeakPolarHBondContact OD1-CD 3.47Å; H327-P331 WeakPolarHBondContact O-CA 3.43Å; H327-P331 WeakPolarHBondContact O-CD 3.44Å
332	D	86.5	Confident	91.5	Very high	145 Å²	145	63.6 Å²	63.6	78%	0.775	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	0.7	177.8	-63.3	-62.3	0	0	0	112.8	Y330	Y330-D332 PolarHBondContact O-N 3.46Å
333	D	88.6	Confident	91.5	Very high	42 Å²	42	68 Å²	68	23%	0.225	33%	0.332	C	S	.	.			trans	-72.1	147.3	179.1	-97.8	18.9	0	0	0	111.6	Y330 L338 R341	Y330-D333 PolarHBondContact O-N 3.37Å; D333-L338 HydrophobicContact CB-CB 4.34Å; D333-L338 HydrophobicContact CB-CD1 4.23Å; D333-R341 IonicContact OD1-CZ 3.03Å; D333-R341 IonicContact OD1-NH2 2.8Å; D333-R341 PolarHBondContact OD1-NH2 3.27Å; D333-R341 IonicContact OD2-CZ 2.82Å; D333-R341 VanDerWaalsContact OD2-CZ 3.25Å; D333-R341 IonicContact OD2-NE 3.4Å; D333-R341 PolarHBondContact OD2-NE 3.12Å; D333-R341 IonicContact OD2-NH2 3.38Å; D333-R341 PolarHBondContact OD2-NH2 3.36Å
334	Q	91.5	Very high	91.6	Very high	147 Å²	147	72 Å²	72	69%	0.687	34%	0.343	S	S	*	.			trans	-81.5	141.4	167	-63.2	178.8	7.2	0	0	109.4	V336 M337 L338	Q334-V336 VanDerWaalsContact C-N 3.25Å; Q334-V336 PolarHBondContact O-N 3.37Å; Q334-M337 WeakPolarHBondContact O-CA 3.35Å; Q334-M337 WeakPolarHBondContact O-CB 3.38Å; Q334-M337 PolarHBondContact O-N 3.33Å; Q334-L338 PolarHBondContact O-N 3.27Å
335	E	91.9	Very high	91.7	Very high	94 Å²	94	66.4 Å²	66.4	44%	0.439	32%	0.317	S	S	.	.	H	α-helix	trans	-42.6	-47	-179.9	-170.7	60.7	-132.5	0	0	113.8	M337 L338 Q339	E335-M337 VanDerWaalsContact C-N 3.25Å; E335-M337 PolarHBondContact O-N 3.04Å; E335-L338 PolarHBondContact O-N 2.95Å; E335-Q339 HydrophobicContact CG-CG 4.43Å; E335-Q339 WeakPolarHBondContact O-CB 3.14Å; E335-Q339 VanDerWaalsContact O-CG 3.26Å; E335-Q339 WeakPolarHBondContact O-CG 3.36Å; E335-Q339 PolarHBondContact O-N 3.48Å; E335-Q339 WeakPolarHBondContact OE1-CG 3.33Å; E335-Q339 PolarHBondContact OE1-NE2 3.46Å
336	V	92.6	Very high	91.7	Very high	100 Å²	100	66.5 Å²	66.5	61%	0.606	32%	0.317	S	S	*	.	H	α-helix	trans	-65.8	-24.8	-179.5	-179	0	0	0	0	113.3	Q334 K340	Q334-V336 VanDerWaalsContact C-N 3.25Å; Q334-V336 PolarHBondContact O-N 3.37Å; V336-K340 WeakPolarHBondContact O-CD 3.48Å; V336-K340 WeakPolarHBondContact O-CG 3.28Å
337	M	91.9	Very high	91.8	Very high	97 Å²	97	69.3 Å²	69.3	48%	0.478	33%	0.333	S	S	.	.	H	α-helix	trans	-87.2	-38.9	172.4	-61.2	-56.3	-173.9	0	0	111.4	Q334 E335 Q339 K340 R341	Q334-M337 WeakPolarHBondContact O-CA 3.35Å; Q334-M337 WeakPolarHBondContact O-CB 3.38Å; Q334-M337 PolarHBondContact O-N 3.33Å; E335-M337 VanDerWaalsContact C-N 3.25Å; E335-M337 PolarHBondContact O-N 3.04Å; M337-Q339 PolarHBondContact O-N 2.82Å; M337-K340 WeakPolarHBondContact O-CB 3.49Å; M337-K340 PolarHBondContact O-N 2.82Å; M337-K340 VanDerWaalsContact O-N 3.16Å; M337-K340 HydrophobicContact SD-CD 4.19Å; M337-R341 WeakPolarHBondContact O-CB 3.46Å; M337-R341 PolarHBondContact O-N 2.89Å
338	L	93.1	Very high	92	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-57.4	-48	174.5	-168.3	73.9	0	0	0	111.1	P323 M326 H327 Y330 D333 Q334 E335 K340 R341 I342	P323-L338 HydrophobicContact CB-CD2 4.37Å; M326-L338 HydrophobicContact CB-CD1 3.94Å; M326-L338 HydrophobicContact CB-CD2 4.48Å; M326-L338 HydrophobicContact CB-CG 4.34Å; H327-L338 WeakPolarHBondContact CE1-CD2 3.34Å; H327-L338 WeakPolarHBondContact ND1-CD2 3.34Å; Y330-L338 HydrophobicContact CD2-CD1 4.16Å; Y330-L338 HydrophobicContact CG-CD1 4.42Å; D333-L338 HydrophobicContact CB-CB 4.34Å; D333-L338 HydrophobicContact CB-CD1 4.23Å; Q334-L338 PolarHBondContact O-N 3.27Å; E335-L338 PolarHBondContact O-N 2.95Å; L338-K340 VanDerWaalsContact C-N 3.29Å; L338-K340 PolarHBondContact O-N 2.99Å; L338-R341 CarbonylContact O-C 3.58Å; L338-R341 WeakPolarHBondContact O-CA 3.47Å; L338-R341 WeakPolarHBondContact O-CB 3.43Å; L338-R341 PolarHBondContact O-N 3.47Å; L338-I342 HydrophobicContact CG-CD1 4.2Å; L338-I342 WeakPolarHBondContact O-CG1 3.47Å; L338-I342 PolarHBondContact O-N 2.72Å
339	Q	92.9	Very high	92.2	Very high	82 Å²	82	64.4 Å²	64.4	38%	0.383	31%	0.309	S	S	.	.	H	α-helix	trans	-61.8	-33.5	177.2	-67.7	-64.1	-26.8	0	0	113	E335 M337 R343	E335-Q339 HydrophobicContact CG-CG 4.43Å; E335-Q339 WeakPolarHBondContact O-CB 3.14Å; E335-Q339 VanDerWaalsContact O-CG 3.26Å; E335-Q339 WeakPolarHBondContact O-CG 3.36Å; E335-Q339 PolarHBondContact O-N 3.48Å; E335-Q339 WeakPolarHBondContact OE1-CG 3.33Å; E335-Q339 PolarHBondContact OE1-NE2 3.46Å; M337-Q339 PolarHBondContact O-N 2.82Å; Q339-R343 WeakPolarHBondContact O-CB 3.4Å; Q339-R343 PolarHBondContact O-N 3.19Å; Q339-R343 VanDerWaalsContact O-N 3.12Å
340	K	93.1	Very high	92.4	Very high	128 Å²	128	64.2 Å²	64.2	56%	0.557	31%	0.308	S	S	*	.	H	α-helix	trans	-70.2	-38.2	171.5	-72.3	173.3	-178.3	-177.6	0	112.1	V336 M337 L338 R343 Y344	V336-K340 WeakPolarHBondContact O-CD 3.48Å; V336-K340 WeakPolarHBondContact O-CG 3.28Å; M337-K340 WeakPolarHBondContact O-CB 3.49Å; M337-K340 PolarHBondContact O-N 2.82Å; M337-K340 VanDerWaalsContact O-N 3.16Å; M337-K340 HydrophobicContact SD-CD 4.19Å; L338-K340 VanDerWaalsContact C-N 3.29Å; L338-K340 PolarHBondContact O-N 2.99Å; K340-R343 PolarHBondContact O-N 2.81Å; K340-Y344 WeakPolarHBondContact O-CB 3.49Å; K340-Y344 PolarHBondContact O-N 3.11Å
341	R	92.9	Very high	92.7	Very high	64 Å²	64	64.4 Å²	64.4	24%	0.242	31%	0.31	C	S	.	.	H	α-helix	trans	-69.7	-39.1	178.9	-154.7	-167	-65.8	-106.1	13.3	111.6	D287 Y330 D333 M337 L338 Y344 I345	D287-R341 IonicContact OD1-NH1 3.95Å; D287-R341 WeakPolarHBondContact OD2-CD 3.42Å; D287-R341 IonicContact OD2-CZ 3.61Å; D287-R341 IonicContact OD2-NE 3.25Å; D287-R341 IonicContact OD2-NH1 2.89Å; D287-R341 PolarHBondContact OD2-NH1 3Å; Y330-R341 VanDerWaalsContact CE1-CD 3.46Å; Y330-R341 VanDerWaalsContact CE1-NH1 3.26Å; Y330-R341 HydrophobicContact CE2-CG 4.49Å; D333-R341 IonicContact OD1-CZ 3.03Å; D333-R341 IonicContact OD1-NH2 2.8Å; D333-R341 PolarHBondContact OD1-NH2 3.27Å; D333-R341 IonicContact OD2-CZ 2.82Å; D333-R341 VanDerWaalsContact OD2-CZ 3.25Å; D333-R341 IonicContact OD2-NE 3.4Å; D333-R341 PolarHBondContact OD2-NE 3.12Å; D333-R341 IonicContact OD2-NH2 3.38Å; D333-R341 PolarHBondContact OD2-NH2 3.36Å; M337-R341 WeakPolarHBondContact O-CB 3.46Å; M337-R341 PolarHBondContact O-N 2.89Å; L338-R341 CarbonylContact O-C 3.58Å; L338-R341 WeakPolarHBondContact O-CA 3.47Å; L338-R341 WeakPolarHBondContact O-CB 3.43Å; L338-R341 PolarHBondContact O-N 3.47Å; R341-Y344 PolarHBondContact O-N 2.82Å; R341-I345 HydrophobicContact CG-CD1 3.99Å; R341-I345 WeakPolarHBondContact O-CB 3.12Å; R341-I345 WeakPolarHBondContact O-CG1 3.24Å; R341-I345 PolarHBondContact O-N 2.6Å
342	I	94.1	Very high	93	Very high	11 Å²	11	63.4 Å²	63.4	6%	0.056	30%	0.303	C	S	.	.	H	α-helix	trans	-54.2	-59.3	168	-73.5	166.6	0	0	0	109.7	M326 L338 Y344 I345 V346	M326-I342 HydrophobicContact CB-CD1 4.31Å; M326-I342 HydrophobicContact CB-CG1 4.24Å; M326-I342 HydrophobicContact CE-CG1 3.88Å; M326-I342 HydrophobicContact CG-CD1 4.18Å; M326-I342 HydrophobicContact CG-CG1 3.78Å; L338-I342 HydrophobicContact CG-CD1 4.2Å; L338-I342 WeakPolarHBondContact O-CG1 3.47Å; L338-I342 PolarHBondContact O-N 2.72Å; I342-Y344 VanDerWaalsContact C-N 3.26Å; I342-Y344 PolarHBondContact O-N 3.18Å; I342-I345 PolarHBondContact O-N 2.85Å; I342-I345 VanDerWaalsContact O-N 3.16Å; I342-V346 HydrophobicContact CG2-CG2 4.32Å; I342-V346 WeakPolarHBondContact O-CB 3.39Å; I342-V346 WeakPolarHBondContact O-CG2 3.38Å; I342-V346 PolarHBondContact O-N 2.94Å
343	R	93.6	Very high	93.3	Very high	136 Å²	136	59.1 Å²	59.1	51%	0.513	28%	0.283	S	S	.	.	H	α-helix	trans	-51.8	-45	179.6	-175.5	64.4	59	132.2	-4.7	112.2	Q339 K340 D347 D382	Q339-R343 WeakPolarHBondContact O-CB 3.4Å; Q339-R343 PolarHBondContact O-N 3.19Å; Q339-R343 VanDerWaalsContact O-N 3.12Å; K340-R343 PolarHBondContact O-N 2.81Å; R343-D347 WeakPolarHBondContact O-CB 3.32Å; R343-D347 PolarHBondContact O-N 2.99Å; R343-D382 VanDerWaalsContact CD-CG 3.49Å; R343-D382 WeakPolarHBondContact CD-OD1 3.49Å; R343-D382 WeakPolarHBondContact CD-OD2 3.28Å; R343-D382 IonicContact CZ-OD1 2.71Å; R343-D382 IonicContact CZ-OD2 2.67Å; R343-D382 IonicContact NE-OD1 3.58Å; R343-D382 IonicContact NE-OD2 3.25Å; R343-D382 PolarHBondContact NE-OD2 3.39Å; R343-D382 IonicContact NH1-OD1 3.56Å; R343-D382 PolarHBondContact NH1-OD1 2.83Å; R343-D382 IonicContact NH1-OD2 3.68Å; R343-D382 PolarHBondContact NH1-OD2 2.97Å
344	Y	94.3	Very high	93.4	Very high	118 Å²	118	57.2 Å²	57.2	46%	0.463	27%	0.273	S	S	.	.	H	α-helix	trans	-66.7	-46.4	178.9	177.1	-107.9	0	0	0	113.3	D287 K340 R341 I342 D347 L348	D287-Y344 HydrophobicContact CB-CE1 4.46Å; K340-Y344 WeakPolarHBondContact O-CB 3.49Å; K340-Y344 PolarHBondContact O-N 3.11Å; R341-Y344 PolarHBondContact O-N 2.82Å; I342-Y344 VanDerWaalsContact C-N 3.26Å; I342-Y344 PolarHBondContact O-N 3.18Å; Y344-D347 PolarHBondContact O-N 3.05Å; Y344-L348 HydrophobicContact CD1-CD1 4.23Å; Y344-L348 HydrophobicContact CE1-CD1 3.61Å; Y344-L348 HydrophobicContact CE1-CG 4.42Å; Y344-L348 HydrophobicContact CE2-CD1 4.22Å; Y344-L348 HydrophobicContact CE2-CD2 4.5Å; Y344-L348 HydrophobicContact CE2-CG 4.3Å; Y344-L348 WeakPolarHBondContact O-CG 3.46Å; Y344-L348 PolarHBondContact O-N 3.2Å
345	I	94.7	Very high	93.4	Very high	2 Å²	2	56.3 Å²	56.3	1%	0.01	27%	0.267	C	S	.	.	H	α-helix	trans	-69.4	-36.4	-179.2	-71.6	164.8	0	0	0	111.2	I283 D287 L320 M326 Y330 R341 I342 L348 Y349	I283-I345 HydrophobicContact CD1-CD1 4.19Å; I283-I345 HydrophobicContact CG1-CD1 4.49Å; I283-I345 HydrophobicContact CG1-CG2 4.3Å; I283-I345 HydrophobicContact CG2-CD1 4.46Å; D287-I345 HydrophobicContact CB-CD1 4.11Å; D287-I345 HydrophobicContact CB-CG1 4.31Å; L320-I345 HydrophobicContact CD2-CG2 4.01Å; M326-I345 HydrophobicContact CE-CD1 3.81Å; Y330-I345 HydrophobicContact CE2-CD1 4.49Å; R341-I345 HydrophobicContact CG-CD1 3.99Å; R341-I345 WeakPolarHBondContact O-CB 3.12Å; R341-I345 WeakPolarHBondContact O-CG1 3.24Å; R341-I345 PolarHBondContact O-N 2.6Å; I342-I345 PolarHBondContact O-N 2.85Å; I342-I345 VanDerWaalsContact O-N 3.16Å; I345-L348 PolarHBondContact O-N 3.2Å; I345-Y349 HydrophobicContact CG2-CD2 4.19Å; I345-Y349 HydrophobicContact CG2-CE2 4.46Å; I345-Y349 WeakPolarHBondContact O-CD2 3.28Å; I345-Y349 PolarHBondContact O-N 2.72Å
346	V	95.3	Very high	93.2	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.012	27%	0.267	C	S	.	.	H	α-helix	trans	-66.9	-45.7	175.2	173.2	0	0	0	0	111.1	L317 L320 E321 I342 L348 Y349 L350 H380	L317-V346 HydrophobicContact CD2-CG1 3.99Å; L320-V346 HydrophobicContact CB-CG2 3.79Å; E321-V346 HydrophobicContact CG-CG2 4.21Å; I342-V346 HydrophobicContact CG2-CG2 4.32Å; I342-V346 WeakPolarHBondContact O-CB 3.39Å; I342-V346 WeakPolarHBondContact O-CG2 3.38Å; I342-V346 PolarHBondContact O-N 2.94Å; V346-L348 PolarHBondContact O-N 3.12Å; V346-Y349 WeakPolarHBondContact O-CA 3.33Å; V346-Y349 WeakPolarHBondContact O-CB 3.48Å; V346-Y349 PolarHBondContact O-N 3.06Å; V346-L350 HydrophobicContact CG1-CD1 3.69Å; V346-L350 HydrophobicContact CG1-CG 4.31Å; V346-L350 WeakPolarHBondContact O-CG 3.31Å; V346-L350 PolarHBondContact O-N 3.4Å; V346-H380 WeakPolarHBondContact CG1-NE2 3.5Å
347	D	94.4	Very high	93	Very high	60 Å²	60	51.4 Å²	51.4	32%	0.321	25%	0.251	S	S	.	.	H	α-helix	trans	-53.8	-49.1	170.9	168.9	60.3	0	0	0	111.8	R343 Y344 Y349 L350 N351	R343-D347 WeakPolarHBondContact O-CB 3.32Å; R343-D347 PolarHBondContact O-N 2.99Å; Y344-D347 PolarHBondContact O-N 3.05Å; D347-Y349 PolarHBondContact O-N 2.68Å; D347-L350 PolarHBondContact O-N 2.87Å; D347-L350 VanDerWaalsContact O-N 3.11Å; D347-N351 PolarHBondContact O-N 3.29Å; D347-N351 PolarHBondContact OD1-ND2 2.85Å
348	L	94.5	Very high	93.1	Very high	27 Å²	27	52.2 Å²	52.2	14%	0.141	25%	0.251	C	S	.	.	H	α-helix	trans	-61.3	-27.5	176.2	-69.4	-176.5	0	0	0	113	P289 Y344 I345 V346 T352	P289-L348 HydrophobicContact CG-CB 3.52Å; P289-L348 HydrophobicContact CG-CD1 4.48Å; Y344-L348 HydrophobicContact CD1-CD1 4.23Å; Y344-L348 HydrophobicContact CE1-CD1 3.61Å; Y344-L348 HydrophobicContact CE1-CG 4.42Å; Y344-L348 HydrophobicContact CE2-CD1 4.22Å; Y344-L348 HydrophobicContact CE2-CD2 4.5Å; Y344-L348 HydrophobicContact CE2-CG 4.3Å; Y344-L348 WeakPolarHBondContact O-CG 3.46Å; Y344-L348 PolarHBondContact O-N 3.2Å; I345-L348 PolarHBondContact O-N 3.2Å; V346-L348 PolarHBondContact O-N 3.12Å; L348-T352 WeakPolarHBondContact CA-OG1 3.16Å; L348-T352 WeakPolarHBondContact O-CB 3.47Å; L348-T352 PolarHBondContact O-OG1 3.28Å
349	Y	95	Very high	93.1	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-77.6	-34.5	174.8	-100.7	-76.3	0	0	0	113.5	L282 P289 T290 N299 V300 M301 L316 L320 I345 V346 D347	L282-Y349 WeakPolarHBondContact CA-OH 3.24Å; L282-Y349 PolarHBondContact O-OH 2.91Å; P289-Y349 HydrophobicContact CB-CD1 4.37Å; P289-Y349 HydrophobicContact CB-CD2 3.9Å; P289-Y349 HydrophobicContact CB-CE1 4.07Å; P289-Y349 HydrophobicContact CB-CE2 3.57Å; P289-Y349 HydrophobicContact CB-CG 4.3Å; P289-Y349 HydrophobicContact CG-CD2 3.79Å; P289-Y349 HydrophobicContact CG-CE2 3.92Å; P289-Y349 HydrophobicContact CG-CG 4.26Å; T290-Y349 PolarHBondContact N-OH 3.44Å; N299-Y349 HydrophobicContact CB-CD1 4.18Å; N299-Y349 HydrophobicContact CB-CE1 3.92Å; N299-Y349 PolarHBondContact ND2-O 2.73Å; V300-Y349 HydrophobicContact CB-CE1 3.93Å; V300-Y349 HydrophobicContact CG2-CE1 4.22Å; M301-Y349 HydrophobicContact CB-CD1 4.35Å; M301-Y349 WeakPolarHBondContact CB-O 3.36Å; L316-Y349 HydrophobicContact CD1-CD1 4.4Å; L316-Y349 HydrophobicContact CD1-CE1 4.17Å; L316-Y349 HydrophobicContact CD2-CD1 3.92Å; L316-Y349 HydrophobicContact CD2-CE1 4.16Å; L320-Y349 HydrophobicContact CD1-CD2 3.39Å; L320-Y349 HydrophobicContact CD1-CE2 3.79Å; L320-Y349 HydrophobicContact CD1-CG 3.81Å; I345-Y349 HydrophobicContact CG2-CD2 4.19Å; I345-Y349 HydrophobicContact CG2-CE2 4.46Å; I345-Y349 WeakPolarHBondContact O-CD2 3.28Å; I345-Y349 PolarHBondContact O-N 2.72Å; V346-Y349 WeakPolarHBondContact O-CA 3.33Å; V346-Y349 WeakPolarHBondContact O-CB 3.48Å; V346-Y349 PolarHBondContact O-N 3.06Å; D347-Y349 PolarHBondContact O-N 2.68Å
350	L	93.9	Very high	93.2	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-84	-44.7	-177.6	-69.2	168.9	0	0	0	113.7	M301 L317 V346 D347 P361 L377 H380 I383	M301-L350 HydrophobicContact CE-CD2 4.2Å; L317-L350 HydrophobicContact CD1-CD2 4.3Å; L317-L350 HydrophobicContact CD2-CD1 4.5Å; L317-L350 HydrophobicContact CD2-CD2 3.89Å; L317-L350 HydrophobicContact CD2-CG 4.19Å; V346-L350 HydrophobicContact CG1-CD1 3.69Å; V346-L350 HydrophobicContact CG1-CG 4.31Å; V346-L350 WeakPolarHBondContact O-CG 3.31Å; V346-L350 PolarHBondContact O-N 3.4Å; D347-L350 PolarHBondContact O-N 2.87Å; D347-L350 VanDerWaalsContact O-N 3.11Å; L350-P361 VanDerWaalsContact O-CD 3.3Å; L350-P361 WeakPolarHBondContact O-CD 3.4Å; L350-L377 HydrophobicContact CD2-CD2 3.63Å; L350-H380 HydrophobicContact CD1-CB 4.27Å; L350-H380 WeakPolarHBondContact CD1-ND1 3.37Å; L350-I383 HydrophobicContact CB-CD1 4.04Å; L350-I383 HydrophobicContact CD2-CD1 4.24Å
351	N	94.6	Very high	93.3	Very high	23 Å²	23	42.5 Å²	42.5	12%	0.123	21%	0.208	C	C	.	.	H	α-helix	trans	-111.8	-15.2	-163.7	-65.3	-39.7	0	0	0	114.3	D347 P353 T360 D382 D384	D347-N351 PolarHBondContact O-N 3.29Å; D347-N351 PolarHBondContact OD1-ND2 2.85Å; N351-P353 WeakPolarHBondContact O-CD 3.44Å; N351-T360 WeakPolarHBondContact O-CG2 3.46Å; N351-D382 PolarHBondContact ND2-O 2.91Å; N351-D384 PolarHBondContact OD1-N 3.08Å
352	T	92.7	Very high	93.5	Very high	53 Å²	53	39.5 Å²	39.5	33%	0.325	20%	0.197	S	C	.	.	P	Polyproline II helix	trans	-60	123.8	175.6	-62.5	0	0	0	0	110.4	H302 L348 P361	H302-T352 PolarHBondContact CE1-O 2.88Å; L348-T352 WeakPolarHBondContact CA-OG1 3.16Å; L348-T352 WeakPolarHBondContact O-CB 3.47Å; L348-T352 PolarHBondContact O-OG1 3.28Å; T352-P361 WeakPolarHBondContact O-CD 3.3Å
353	P	92.8	Very high	93.5	Very high	56 Å²	56	39 Å²	39	36%	0.364	19%	0.194	S	C	.	.	P	Polyproline II helix	trans	-82.9	155.3	178	33.4	-35.4	0	0	0	112.8	N351 F358 T360	N351-P353 WeakPolarHBondContact O-CD 3.44Å; P353-F358 HydrophobicContact CB-CB 4.37Å; P353-F358 HydrophobicContact CB-CD1 4.44Å; P353-F358 HydrophobicContact CG-CD1 4.08Å; P353-T360 HydrophobicContact CB-CG2 4.16Å
354	D	92.8	Very high	93.6	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.011	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-65.4	157.1	174.8	108.5	-71.5	0	0	0	113.2	Y298 H302 A356 S357 F358 E359 F364	Y298-D354 HydrophobicContact CD1-CB 4.11Å; Y298-D354 HydrophobicContact CE1-CB 3.9Å; H302-D354 PolarHBondContact NE2-N 3.39Å; D354-A356 PolarHBondContact O-N 3.4Å; D354-A356 WeakPolarHBondContact OD2-CA 3.35Å; D354-A356 VanDerWaalsContact OD2-CB 3.3Å; D354-A356 WeakPolarHBondContact OD2-CB 3.29Å; D354-A356 PolarHBondContact OD2-N 3.46Å; D354-S357 WeakPolarHBondContact OD1-CA 3.43Å; D354-S357 WeakPolarHBondContact OD1-CB 3.46Å; D354-S357 PolarHBondContact OD1-N 3Å; D354-F358 VanDerWaalsContact O-CA 3.28Å; D354-F358 WeakPolarHBondContact O-CA 3.3Å; D354-F358 PolarHBondContact O-N 2.75Å; D354-F358 PolarHBondContact OD1-N 3.34Å; D354-E359 PolarHBondContact N-O 3.22Å; D354-E359 PolarHBondContact OD1-N 2.99Å; D354-E359 VanDerWaalsContact OD1-N 3.07Å; D354-F364 HydrophobicContact CB-CE2 4.1Å; D354-F364 HydrophobicContact CB-CZ 4.35Å
355	K	90.8	Very high	93.7	Very high	128 Å²	128	27.1 Å²	27.1	56%	0.557	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-23.6	-177.3	-169.7	-176.1	171	-164.6	0	113.8	C296 R297	C296-K355 WeakPolarHBondContact O-CB 3.28Å; C296-K355 PolarHBondContact O-N 3.2Å; R297-K355 HydrophobicContact CB-CB 4.23Å; R297-K355 HydrophobicContact CG-CB 4.31Å; R297-K355 HydrophobicContact CG-CD 4.24Å
356	A	88.1	Confident	93.7	Very high	55 Å²	55	27 Å²	27	46%	0.455	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-46.1	-170.5	0	0	0	0	0	113.3	D354	D354-A356 PolarHBondContact O-N 3.4Å; D354-A356 WeakPolarHBondContact OD2-CA 3.35Å; D354-A356 VanDerWaalsContact OD2-CB 3.3Å; D354-A356 WeakPolarHBondContact OD2-CB 3.29Å; D354-A356 PolarHBondContact OD2-N 3.46Å
357	S	88.2	Confident	93.6	Very high	36 Å²	36	28 Å²	28	25%	0.252	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.7	-5.5	-176.7	-74.7	0	0	0	0	113.6	D354 E359 R390	D354-S357 WeakPolarHBondContact OD1-CA 3.43Å; D354-S357 WeakPolarHBondContact OD1-CB 3.46Å; D354-S357 PolarHBondContact OD1-N 3Å; S357-E359 PolarHBondContact O-N 2.94Å; S357-R390 WeakPolarHBondContact O-CB 3.15Å; S357-R390 PolarHBondContact O-N 3.11Å
358	F	92.6	Very high	93.5	Very high	113 Å²	113	26.8 Å²	26.8	50%	0.496	14%	0.144	S	C	.	.			trans	57	33.9	-168.3	-74	-99.1	0	0	0	112.6	P353 D354 N389 R390	P353-F358 HydrophobicContact CB-CB 4.37Å; P353-F358 HydrophobicContact CB-CD1 4.44Å; P353-F358 HydrophobicContact CG-CD1 4.08Å; D354-F358 VanDerWaalsContact O-CA 3.28Å; D354-F358 WeakPolarHBondContact O-CA 3.3Å; D354-F358 PolarHBondContact O-N 2.75Å; D354-F358 PolarHBondContact OD1-N 3.34Å; F358-N389 WeakPolarHBondContact O-CA 3.3Å; F358-R390 HydrophobicContact CB-CB 4.28Å; F358-R390 HydrophobicContact CD2-CB 4.28Å
359	E	93.6	Very high	93.4	Very high	5 Å²	5	25.5 Å²	25.5	2%	0.023	14%	0.138	C	C	.	.			trans	-91.6	126.3	177.9	-79.8	176.5	178.7	0	0	110.8	H302 D354 S357 H363 F364 K367 N389 L398	H302-E359 PolarHBondContact NE2-O 2.95Å; D354-E359 PolarHBondContact N-O 3.22Å; D354-E359 PolarHBondContact OD1-N 2.99Å; D354-E359 VanDerWaalsContact OD1-N 3.07Å; S357-E359 PolarHBondContact O-N 2.94Å; E359-H363 HydrophobicContact CB-CB 3.7Å; E359-H363 HydrophobicContact CG-CB 3.86Å; E359-F364 HydrophobicContact CB-CD2 3.88Å; E359-F364 HydrophobicContact CB-CE2 3.62Å; E359-K367 IonicContact OE1-NZ 2.65Å; E359-K367 PolarHBondContact OE1-NZ 2.87Å; E359-K367 VanDerWaalsContact OE2-CD 3.28Å; E359-K367 WeakPolarHBondContact OE2-CD 3.21Å; E359-K367 IonicContact OE2-NZ 2.61Å; E359-K367 PolarHBondContact OE2-NZ 3.45Å; E359-N389 HydrophobicContact CG-CB 3.75Å; E359-L398 HydrophobicContact CG-CD1 4.47Å
360	T	95.1	Very high	93.4	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.012	14%	0.138	C	C	.	.			trans	-73.9	164.9	173.6	69.5	0	0	0	0	111.5	N351 P353 L362 H363 F364 C387	N351-T360 WeakPolarHBondContact O-CG2 3.46Å; P353-T360 HydrophobicContact CB-CG2 4.16Å; T360-L362 PolarHBondContact O-N 3.37Å; T360-L362 VanDerWaalsContact O-N 3.09Å; T360-H363 PolarHBondContact N-ND1 2.87Å; T360-H363 WeakPolarHBondContact O-CA 3.38Å; T360-H363 VanDerWaalsContact O-CB 3.3Å; T360-H363 WeakPolarHBondContact O-CB 3.19Å; T360-H363 PolarHBondContact O-N 3.09Å; T360-H363 PolarHBondContact OG1-ND1 3.35Å; T360-F364 WeakPolarHBondContact O-CD2 3.18Å; T360-F364 PolarHBondContact O-N 3.07Å; T360-C387 HydrophobicContact CG2-CB 4.13Å
361	P	96	Very high	93.3	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-49.7	-34.5	172.5	-27.6	31.4	0	0	0	114.5	M301 A305 L350 T352 F364 A365 L377	M301-P361 HydrophobicContact CB-CB 4.16Å; M301-P361 HydrophobicContact CB-CG 4.07Å; M301-P361 HydrophobicContact CG-CB 3.65Å; M301-P361 HydrophobicContact CG-CG 4.01Å; A305-P361 WeakPolarHBondContact CB-O 3.5Å; L350-P361 VanDerWaalsContact O-CD 3.3Å; L350-P361 WeakPolarHBondContact O-CD 3.4Å; T352-P361 WeakPolarHBondContact O-CD 3.3Å; P361-F364 WeakPolarHBondContact O-CB 3.1Å; P361-F364 PolarHBondContact O-N 2.93Å; P361-A365 PolarHBondContact O-N 3.38Å; P361-L377 HydrophobicContact CB-CD1 4.32Å
362	L	96.1	Very high	93.1	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-68.9	-37.9	175.3	-176.5	58.9	0	0	0	112.7	T360 F364 A365 C366 V374 L377 C378 I383 K385 P395 L417	T360-L362 PolarHBondContact O-N 3.37Å; T360-L362 VanDerWaalsContact O-N 3.09Å; L362-F364 VanDerWaalsContact C-N 3.3Å; L362-F364 PolarHBondContact O-N 3.26Å; L362-A365 PolarHBondContact O-N 3.17Å; L362-C366 WeakPolarHBondContact O-CB 3.4Å; L362-C366 PolarHBondContact O-N 3.13Å; L362-C366 PolarHBondContact O-SG 3.32Å; L362-V374 HydrophobicContact CD1-CG1 4.17Å; L362-V374 HydrophobicContact CD1-CG2 4.43Å; L362-L377 HydrophobicContact CB-CD1 4.26Å; L362-L377 HydrophobicContact CD1-CB 4.24Å; L362-L377 HydrophobicContact CD1-CD1 4.25Å; L362-C378 VanDerWaalsContact CD1-SG 3.55Å; L362-I383 HydrophobicContact CB-CD1 4.41Å; L362-I383 HydrophobicContact CD2-CD1 4.44Å; L362-I383 HydrophobicContact CD2-CG1 4.03Å; L362-K385 HydrophobicContact CD2-CB 4.46Å; L362-K385 HydrophobicContact CD2-CG 4.39Å; L362-P395 HydrophobicContact CB-CG 4.48Å; L362-P395 HydrophobicContact CD2-CB 4.39Å; L362-P395 HydrophobicContact CD2-CG 4.1Å; L362-P395 HydrophobicContact CG-CB 3.99Å; L362-P395 HydrophobicContact CG-CG 3.99Å; L362-L417 HydrophobicContact CD1-CD2 4.1Å; L362-L417 HydrophobicContact CD2-CD2 4.1Å; L362-L417 HydrophobicContact CG-CD2 4.3Å
363	H	95.5	Very high	93.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-59.2	-43.6	169.5	-70.2	76.1	0	0	0	110.5	E359 T360 C366 K367 C387 N389 Q393 L398	E359-H363 HydrophobicContact CB-CB 3.7Å; E359-H363 HydrophobicContact CG-CB 3.86Å; T360-H363 PolarHBondContact N-ND1 2.87Å; T360-H363 WeakPolarHBondContact O-CA 3.38Å; T360-H363 VanDerWaalsContact O-CB 3.3Å; T360-H363 WeakPolarHBondContact O-CB 3.19Å; T360-H363 PolarHBondContact O-N 3.09Å; T360-H363 PolarHBondContact OG1-ND1 3.35Å; H363-C366 PolarHBondContact O-N 2.98Å; H363-K367 WeakPolarHBondContact O-CB 3.47Å; H363-K367 PolarHBondContact O-N 3.14Å; H363-C387 PolarHBondContact CE1-O 2.83Å; H363-C387 VanDerWaalsContact CE1-O 3.31Å; H363-C387 PolarHBondContact NE2-O 3.2Å; H363-N389 PolarHBondContact NE2-N 2.82Å; H363-Q393 PolarHBondContact NE2-O 3.4Å; H363-L398 HydrophobicContact CB-CD1 4.18Å
364	F	94.8	Very high	93.2	Very high	5 Å²	5	22.9 Å²	22.9	2%	0.022	12%	0.119	C	C	.	.	H	α-helix	trans	-59.8	-50.8	176.6	-86.5	-115.3	0	0	0	111.5	Y298 H302 A305 K306 D354 E359 T360 P361 L362 C366 K367 F368	Y298-F364 HydrophobicContact CD1-CZ 4.21Å; Y298-F364 AromaticContact CE1-CE1 3.89Å; Y298-F364 HydrophobicContact CE1-CE1 3.89Å; Y298-F364 HydrophobicContact CE1-CE2 4.41Å; Y298-F364 AromaticContact CE1-CZ 3.43Å; Y298-F364 HydrophobicContact CE1-CZ 3.43Å; Y298-F364 VanDerWaalsContact CE1-CZ 3.43Å; Y298-F364 HydrophobicContact CE2-CE1 4.3Å; Y298-F364 AromaticContact CZ-CE1 3.75Å; Y298-F364 AromaticContact CZ-CZ 3.67Å; H302-F364 AromaticContact CD2-CD2 3.84Å; H302-F364 AromaticContact CD2-CE2 3.71Å; A305-F364 HydrophobicContact CB-CB 3.92Å; K306-F364 HydrophobicContact CB-CD1 4.23Å; D354-F364 HydrophobicContact CB-CE2 4.1Å; D354-F364 HydrophobicContact CB-CZ 4.35Å; E359-F364 HydrophobicContact CB-CD2 3.88Å; E359-F364 HydrophobicContact CB-CE2 3.62Å; T360-F364 WeakPolarHBondContact O-CD2 3.18Å; T360-F364 PolarHBondContact O-N 3.07Å; P361-F364 WeakPolarHBondContact O-CB 3.1Å; P361-F364 PolarHBondContact O-N 2.93Å; L362-F364 VanDerWaalsContact C-N 3.3Å; L362-F364 PolarHBondContact O-N 3.26Å; F364-C366 VanDerWaalsContact C-N 3.33Å; F364-C366 PolarHBondContact O-N 3.12Å; F364-K367 PolarHBondContact O-N 3.48Å; F364-F368 HydrophobicContact CB-CD2 4.42Å; F364-F368 HydrophobicContact CD1-CD2 4.22Å; F364-F368 AromaticContact CD1-CE2 3.71Å; F364-F368 HydrophobicContact CD1-CE2 3.71Å; F364-F368 HydrophobicContact CE1-CE2 4.19Å; F364-F368 HydrophobicContact CG-CE2 4.41Å; F364-F368 WeakPolarHBondContact O-CB 3.48Å; F364-F368 VanDerWaalsContact O-CD2 3.24Å; F364-F368 WeakPolarHBondContact O-CD2 3.42Å; F364-F368 PolarHBondContact O-N 3.12Å
365	A	95.4	Very high	93.2	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-59.7	-42.2	-179.2	0	0	0	0	0	111.9	A305 P361 L362 G369 C370 V373 V374 L377	A305-A365 HydrophobicContact CB-CB 4.01Å; P361-A365 PolarHBondContact O-N 3.38Å; L362-A365 PolarHBondContact O-N 3.17Å; A365-G369 PolarHBondContact O-N 3.15Å; A365-G369 VanDerWaalsContact O-N 3.12Å; A365-C370 HydrophobicContact CB-CB 4.36Å; A365-C370 WeakPolarHBondContact O-CB 3.37Å; A365-C370 PolarHBondContact O-N 3.42Å; A365-V373 HydrophobicContact CB-CB 4.27Å; A365-V373 HydrophobicContact CB-CG1 4.27Å; A365-V374 HydrophobicContact CB-CG2 3.58Å; A365-L377 HydrophobicContact CB-CD1 4.1Å
366	C	95.2	Very high	93.2	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-67.2	-47.4	175.5	-61.8	0	0	0	0	111.9	L362 H363 F364 F368 G369 P395 I399 C400 I413	L362-C366 WeakPolarHBondContact O-CB 3.4Å; L362-C366 PolarHBondContact O-N 3.13Å; L362-C366 PolarHBondContact O-SG 3.32Å; H363-C366 PolarHBondContact O-N 2.98Å; F364-C366 VanDerWaalsContact C-N 3.33Å; F364-C366 PolarHBondContact O-N 3.12Å; C366-F368 VanDerWaalsContact C-N 3.34Å; C366-F368 PolarHBondContact O-N 3.04Å; C366-G369 PolarHBondContact O-N 2.92Å; C366-P395 HydrophobicContact CB-CB 4.28Å; C366-P395 VanDerWaalsContact CB-O 3.29Å; C366-P395 WeakPolarHBondContact CB-O 3.32Å; C366-I399 HydrophobicContact CB-CG1 4.34Å; C366-I399 CarbonylContact O-C 3.53Å; C366-I399 WeakPolarHBondContact O-CA 3Å; C366-C400 PolarHBondContact O-N 2.8Å; C366-I413 HydrophobicContact CB-CG2 4.47Å
367	K	93.6	Very high	93.4	Very high	23 Å²	23	15.5 Å²	15.5	10%	0.1	8%	0.079	C	C	.	.	H	α-helix	trans	-60.4	-38.2	-178.8	178.2	171.9	-176.8	170.3	0	113.5	E359 H363 F364 L398 S401 R402	E359-K367 IonicContact OE1-NZ 2.65Å; E359-K367 PolarHBondContact OE1-NZ 2.87Å; E359-K367 VanDerWaalsContact OE2-CD 3.28Å; E359-K367 WeakPolarHBondContact OE2-CD 3.21Å; E359-K367 IonicContact OE2-NZ 2.61Å; E359-K367 PolarHBondContact OE2-NZ 3.45Å; H363-K367 WeakPolarHBondContact O-CB 3.47Å; H363-K367 PolarHBondContact O-N 3.14Å; F364-K367 PolarHBondContact O-N 3.48Å; K367-L398 WeakPolarHBondContact CA-O 3.42Å; K367-L398 HydrophobicContact CB-CB 4.32Å; K367-S401 PolarHBondContact O-N 2.87Å; K367-R402 HydrophobicContact CD-CG 4.44Å; K367-R402 HydrophobicContact CG-CB 4.38Å; K367-R402 HydrophobicContact CG-CG 3.69Å; K367-R402 WeakPolarHBondContact O-CB 3.32Å; K367-R402 PolarHBondContact O-N 2.92Å
368	F	92.8	Very high	93.5	Very high	34 Å²	34	14 Å²	14	15%	0.149	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	0.3	175.9	-67.9	-67	0	0	0	113.8	K306 F364 C366 C370 R402 K403	K306-F368 HydrophobicContact CB-CD2 4.26Å; K306-F368 HydrophobicContact CB-CE2 4.25Å; K306-F368 HydrophobicContact CD-CE2 4.43Å; K306-F368 HydrophobicContact CG-CD2 4.19Å; K306-F368 HydrophobicContact CG-CE2 3.87Å; K306-F368 HydrophobicContact CG-CZ 4.13Å; F364-F368 HydrophobicContact CB-CD2 4.42Å; F364-F368 HydrophobicContact CD1-CD2 4.22Å; F364-F368 AromaticContact CD1-CE2 3.71Å; F364-F368 HydrophobicContact CD1-CE2 3.71Å; F364-F368 HydrophobicContact CE1-CE2 4.19Å; F364-F368 HydrophobicContact CG-CE2 4.41Å; F364-F368 WeakPolarHBondContact O-CB 3.48Å; F364-F368 VanDerWaalsContact O-CD2 3.24Å; F364-F368 WeakPolarHBondContact O-CD2 3.42Å; F364-F368 PolarHBondContact O-N 3.12Å; C366-F368 VanDerWaalsContact C-N 3.34Å; C366-F368 PolarHBondContact O-N 3.04Å; F368-C370 VanDerWaalsContact CB-SG 3.59Å; F368-R402 HydrophobicContact CD1-CB 3.95Å; F368-R402 HydrophobicContact CE1-CB 3.97Å; F368-R402 HydrophobicContact CE1-CG 4.3Å; F368-K403 HydrophobicContact CB-CD 4.25Å; F368-K403 HydrophobicContact CD1-CB 4.47Å; F368-K403 HydrophobicContact CD1-CD 3.82Å; F368-K403 HydrophobicContact CD1-CG 4.01Å; F368-K403 HydrophobicContact CG-CD 4.46Å; F368-K403 WeakPolarHBondContact O-CB 3.18Å
369	G	92.6	Very high	93.2	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.2	52.1	175	0	0	0	0	0	112.1	A365 C366 P371 N404	A365-G369 PolarHBondContact O-N 3.15Å; A365-G369 VanDerWaalsContact O-N 3.12Å; C366-G369 PolarHBondContact O-N 2.92Å; G369-P371 WeakPolarHBondContact O-CD 3.49Å; G369-N404 WeakPolarHBondContact O-CB 3.48Å; G369-N404 PolarHBondContact O-ND2 2.94Å
370	C	93.8	Very high	92.9	Very high	2 Å²	2	9.6 Å²	9.6	1%	0.014	5%	0.05	C	C	.	.			trans	-108.4	74.5	-172.1	-63.5	0	0	0	0	110.5	A305 N308 A365 F368 D372 V373 V374	A305-C370 PolarHBondContact O-SG 3.49Å; N308-C370 HydrophobicContact CB-CB 4.14Å; N308-C370 WeakPolarHBondContact OD1-CA 3.38Å; N308-C370 WeakPolarHBondContact OD1-CB 3.4Å; A365-C370 HydrophobicContact CB-CB 4.36Å; A365-C370 WeakPolarHBondContact O-CB 3.37Å; A365-C370 PolarHBondContact O-N 3.42Å; F368-C370 VanDerWaalsContact CB-SG 3.59Å; C370-D372 VanDerWaalsContact C-N 3.26Å; C370-D372 PolarHBondContact O-N 3.47Å; C370-V373 HydrophobicContact CB-CB 4.31Å; C370-V373 HydrophobicContact CB-CG2 4.28Å; C370-V373 PolarHBondContact O-N 3.31Å; C370-V374 WeakPolarHBondContact O-CG2 3.43Å; C370-V374 PolarHBondContact O-N 2.84Å
371	P	92.1	Very high	92.3	Very high	14 Å²	14	12.8 Å²	12.8	9%	0.091	7%	0.071	C	C	.	.	H	α-helix	trans	-60.2	-35.1	-166.3	25.6	-35	0	0	0	113	G369 V374 N375 V409 R412 I413 Y416	G369-P371 WeakPolarHBondContact O-CD 3.49Å; P371-V374 PolarHBondContact O-N 3.3Å; P371-N375 PolarHBondContact O-N 2.91Å; P371-V409 HydrophobicContact CG-CG1 4.22Å; P371-R412 HydrophobicContact CB-CG 4.25Å; P371-I413 HydrophobicContact CB-CD1 4.48Å; P371-I413 HydrophobicContact CB-CG1 3.96Å; P371-Y416 HydrophobicContact CB-CE2 4.41Å; P371-Y416 WeakPolarHBondContact O-CD2 3.46Å; P371-Y416 WeakPolarHBondContact O-CE2 3.37Å
372	D	91.9	Very high	91.9	Very high	61 Å²	61	15.2 Å²	15.2	33%	0.326	8%	0.084	S	C	.	.	H	α-helix	trans	-73	-37.8	-174.8	-38	-57.4	0	0	0	110.6	N308 A310 C370 N375 V376	N308-D372 PolarHBondContact ND2-OD2 3.05Å; A310-D372 HydrophobicContact CB-CB 3.67Å; C370-D372 VanDerWaalsContact C-N 3.26Å; C370-D372 PolarHBondContact O-N 3.47Å; D372-N375 WeakPolarHBondContact O-CB 3.45Å; D372-N375 PolarHBondContact O-N 3.03Å; D372-V376 PolarHBondContact O-N 2.94Å; D372-V376 VanDerWaalsContact O-N 3.1Å
373	V	93.8	Very high	91.6	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-72.1	-35.4	172.9	-169.2	0	0	0	0	111.4	A305 A310 A313 A365 C370 N375 V376 L377	A305-V373 HydrophobicContact CB-CG1 4.14Å; A310-V373 HydrophobicContact CB-CG2 4.05Å; A313-V373 HydrophobicContact CB-CG1 4.09Å; A365-V373 HydrophobicContact CB-CB 4.27Å; A365-V373 HydrophobicContact CB-CG1 4.27Å; C370-V373 HydrophobicContact CB-CB 4.31Å; C370-V373 HydrophobicContact CB-CG2 4.28Å; C370-V373 PolarHBondContact O-N 3.31Å; V373-N375 VanDerWaalsContact C-N 3.3Å; V373-N375 PolarHBondContact O-N 3.29Å; V373-V376 PolarHBondContact O-N 3.14Å; V373-L377 HydrophobicContact CG1-CD1 4.06Å; V373-L377 HydrophobicContact CG1-CG 4.24Å; V373-L377 WeakPolarHBondContact O-CB 3.36Å; V373-L377 WeakPolarHBondContact O-CG 3.45Å; V373-L377 PolarHBondContact O-N 2.92Å
374	V	93.8	Very high	91.3	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-61.7	-40.6	170.5	177.4	0	0	0	0	110.2	L362 A365 C370 P371 L377 C378 I413 Y416 L417	L362-V374 HydrophobicContact CD1-CG1 4.17Å; L362-V374 HydrophobicContact CD1-CG2 4.43Å; A365-V374 HydrophobicContact CB-CG2 3.58Å; C370-V374 WeakPolarHBondContact O-CG2 3.43Å; C370-V374 PolarHBondContact O-N 2.84Å; P371-V374 PolarHBondContact O-N 3.3Å; V374-L377 PolarHBondContact O-N 3.37Å; V374-C378 VanDerWaalsContact O-CB 3.23Å; V374-C378 WeakPolarHBondContact O-CB 3.43Å; V374-C378 PolarHBondContact O-N 2.85Å; V374-I413 HydrophobicContact CG1-CG2 4.35Å; V374-I413 HydrophobicContact CG2-CG1 4.34Å; V374-I413 HydrophobicContact CG2-CG2 4.22Å; V374-Y416 HydrophobicContact CG1-CD2 4.48Å; V374-L417 HydrophobicContact CG1-CD2 4.42Å; V374-L417 HydrophobicContact CG1-CG 4.37Å
375	N	90.8	Very high	91.1	Very high	20 Å²	20	19.5 Å²	19.5	11%	0.107	11%	0.106	C	C	.	.	H	α-helix	trans	-61.5	-46.3	177.1	-167.5	31	0	0	0	112.1	P371 D372 V373 S379 Y416 R420	P371-N375 PolarHBondContact O-N 2.91Å; D372-N375 WeakPolarHBondContact O-CB 3.45Å; D372-N375 PolarHBondContact O-N 3.03Å; V373-N375 VanDerWaalsContact C-N 3.3Å; V373-N375 PolarHBondContact O-N 3.29Å; N375-S379 WeakPolarHBondContact O-CB 3.24Å; N375-S379 PolarHBondContact O-N 3.08Å; N375-S379 VanDerWaalsContact O-N 3.13Å; N375-S379 PolarHBondContact O-OG 3.42Å; N375-Y416 HydrophobicContact CB-CD1 4.45Å; N375-Y416 HydrophobicContact CB-CD2 3.89Å; N375-Y416 HydrophobicContact CB-CE1 4.22Å; N375-Y416 HydrophobicContact CB-CE2 3.64Å; N375-Y416 HydrophobicContact CB-CG 4.3Å; N375-Y416 WeakPolarHBondContact OD1-CE1 3.24Å; N375-R420 PolarHBondContact O-NH2 3.2Å; N375-R420 VanDerWaalsContact O-NH2 3.09Å; N375-R420 PolarHBondContact OD1-NH1 3.48Å; N375-R420 PolarHBondContact OD1-NH2 2.94Å
376	V	91.4	Very high	90.8	Very high	11 Å²	11	24 Å²	24	7%	0.067	13%	0.13	C	C	.	.	H	α-helix	trans	-59.3	-56.6	175.3	168.9	0	0	0	0	110.9	A310 A313 Q314 L317 D372 V373 C378 S379 L716	A310-V376 HydrophobicContact CB-CG2 4.35Å; A313-V376 HydrophobicContact CB-CG1 4.07Å; Q314-V376 HydrophobicContact CB-CG1 4.35Å; Q314-V376 HydrophobicContact CB-CG2 4.37Å; L317-V376 HydrophobicContact CD1-CG1 4.08Å; D372-V376 PolarHBondContact O-N 2.94Å; D372-V376 VanDerWaalsContact O-N 3.1Å; V373-V376 PolarHBondContact O-N 3.14Å; V376-C378 PolarHBondContact O-N 3.18Å; V376-S379 PolarHBondContact O-N 2.94Å; V376-L716 HydrophobicContact CG2-CD2 4.17Å
377	L	91.9	Very high	90.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-58	-46.8	-177.9	-72.6	174.9	0	0	0	112.2	M301 L350 P361 L362 A365 V373 V374 S379 H380 I383	M301-L377 HydrophobicContact CE-CD2 3.84Å; M301-L377 HydrophobicContact CG-CD2 3.87Å; M301-L377 HydrophobicContact SD-CD2 3.83Å; L350-L377 HydrophobicContact CD2-CD2 3.63Å; P361-L377 HydrophobicContact CB-CD1 4.32Å; L362-L377 HydrophobicContact CB-CD1 4.26Å; L362-L377 HydrophobicContact CD1-CB 4.24Å; L362-L377 HydrophobicContact CD1-CD1 4.25Å; A365-L377 HydrophobicContact CB-CD1 4.1Å; V373-L377 HydrophobicContact CG1-CD1 4.06Å; V373-L377 HydrophobicContact CG1-CG 4.24Å; V373-L377 WeakPolarHBondContact O-CB 3.36Å; V373-L377 WeakPolarHBondContact O-CG 3.45Å; V373-L377 PolarHBondContact O-N 2.92Å; V374-L377 PolarHBondContact O-N 3.37Å; L377-S379 PolarHBondContact O-N 3.47Å; L377-H380 PolarHBondContact O-N 3.02Å; L377-I383 HydrophobicContact CB-CD1 4.48Å; L377-I383 WeakPolarHBondContact O-CB 3.2Å; L377-I383 WeakPolarHBondContact O-CG2 3.3Å
378	C	90.1	Very high	90.5	Very high	4 Å²	4	31 Å²	31	3%	0.027	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	5.6	179.8	-65.7	0	0	0	0	114	L362 V374 V376 Y416 R420	L362-C378 VanDerWaalsContact CD1-SG 3.55Å; V374-C378 VanDerWaalsContact O-CB 3.23Å; V374-C378 WeakPolarHBondContact O-CB 3.43Å; V374-C378 PolarHBondContact O-N 2.85Å; V376-C378 PolarHBondContact O-N 3.18Å; C378-Y416 VanDerWaalsContact CB-O 3.25Å; C378-Y416 WeakPolarHBondContact CB-O 3.42Å; C378-R420 PolarHBondContact O-NE 3.2Å; C378-R420 PolarHBondContact O-NH2 2.7Å
379	S	86.4	Confident	90.5	Very high	7 Å²	7	29.8 Å²	29.8	5%	0.049	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-7.9	169.4	-59.3	0	0	0	0	113.3	N375 V376 L377 R420	N375-S379 WeakPolarHBondContact O-CB 3.24Å; N375-S379 PolarHBondContact O-N 3.08Å; N375-S379 VanDerWaalsContact O-N 3.13Å; N375-S379 PolarHBondContact O-OG 3.42Å; V376-S379 PolarHBondContact O-N 2.94Å; L377-S379 PolarHBondContact O-N 3.47Å; S379-R420 PolarHBondContact OG-NE 3Å; S379-R420 PolarHBondContact OG-NH1 3.48Å; S379-R420 VanDerWaalsContact OG-NH1 3.14Å; S379-R420 PolarHBondContact OG-NH2 2.97Å
380	H	87.8	Confident	90.5	Very high	19 Å²	19	38.6 Å²	38.6	9%	0.088	19%	0.193	C	C	.	.	S	Bend	trans	-88.9	129.9	174	-175	-81.2	0	0	0	110.3	L317 E321 V346 L350 L377 D382 I383	L317-H380 HydrophobicContact CD1-CB 4.49Å; E321-H380 IonicContact OE1-CD2 3.67Å; E321-H380 PolarHBondContact OE1-CD2 2.75Å; E321-H380 IonicContact OE1-NE2 3.79Å; V346-H380 WeakPolarHBondContact CG1-NE2 3.5Å; L350-H380 HydrophobicContact CD1-CB 4.27Å; L350-H380 WeakPolarHBondContact CD1-ND1 3.37Å; L377-H380 PolarHBondContact O-N 3.02Å; H380-D382 VanDerWaalsContact C-N 3.32Å; H380-D382 IonicContact CE1-OD2 2.8Å; H380-D382 PolarHBondContact CE1-OD2 3.22Å; H380-D382 PolarHBondContact ND1-N 2.83Å; H380-D382 IonicContact ND1-OD2 3.09Å; H380-D382 PolarHBondContact O-N 3.5Å; H380-I383 WeakPolarHBondContact O-CG2 3.35Å; H380-I383 PolarHBondContact O-N 3.07Å
381	P	83.7	Confident	90.4	Very high	69 Å²	69	44 Å²	44	45%	0.448	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-24.4	-168.2	24.7	-35.6	0	0	0	115.3
382	D	85.6	Confident	90.4	Very high	50 Å²	50	45.2 Å²	45.2	27%	0.267	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	12.5	-179.8	-56.6	-71.6	0	0	0	114.7	R343 N351 H380	R343-D382 VanDerWaalsContact CD-CG 3.49Å; R343-D382 WeakPolarHBondContact CD-OD1 3.49Å; R343-D382 WeakPolarHBondContact CD-OD2 3.28Å; R343-D382 IonicContact CZ-OD1 2.71Å; R343-D382 IonicContact CZ-OD2 2.67Å; R343-D382 IonicContact NE-OD1 3.58Å; R343-D382 IonicContact NE-OD2 3.25Å; R343-D382 PolarHBondContact NE-OD2 3.39Å; R343-D382 IonicContact NH1-OD1 3.56Å; R343-D382 PolarHBondContact NH1-OD1 2.83Å; R343-D382 IonicContact NH1-OD2 3.68Å; R343-D382 PolarHBondContact NH1-OD2 2.97Å; N351-D382 PolarHBondContact ND2-O 2.91Å; H380-D382 VanDerWaalsContact C-N 3.32Å; H380-D382 IonicContact CE1-OD2 2.8Å; H380-D382 PolarHBondContact CE1-OD2 3.22Å; H380-D382 PolarHBondContact ND1-N 2.83Å; H380-D382 IonicContact ND1-OD2 3.09Å; H380-D382 PolarHBondContact O-N 3.5Å
383	I	90.3	Very high	90.4	Very high	19 Å²	19	45.7 Å²	45.7	10%	0.097	24%	0.237	C	C	.	.			trans	-78.2	128.8	-179.2	-170.6	65.5	0	0	0	113.1	L350 L362 L377 H380 K385	L350-I383 HydrophobicContact CB-CD1 4.04Å; L350-I383 HydrophobicContact CD2-CD1 4.24Å; L362-I383 HydrophobicContact CB-CD1 4.41Å; L362-I383 HydrophobicContact CD2-CD1 4.44Å; L362-I383 HydrophobicContact CD2-CG1 4.03Å; L377-I383 HydrophobicContact CB-CD1 4.48Å; L377-I383 WeakPolarHBondContact O-CB 3.2Å; L377-I383 WeakPolarHBondContact O-CG2 3.3Å; H380-I383 WeakPolarHBondContact O-CG2 3.35Å; H380-I383 PolarHBondContact O-N 3.07Å; I383-K385 HydrophobicContact CG2-CG 4.43Å; I383-K385 PolarHBondContact O-N 3.22Å
384	D	89.6	Confident	90.5	Very high	62 Å²	62	48.5 Å²	48.5	33%	0.332	25%	0.249	S	C	.	.			trans	-88	99.8	171	-174.6	11.3	0	0	0	112.3	N351 N386 C387	N351-D384 PolarHBondContact OD1-N 3.08Å; D384-N386 PolarHBondContact O-N 2.78Å; D384-N386 WeakPolarHBondContact OD1-CA 3.33Å; D384-N386 WeakPolarHBondContact OD1-CB 3.37Å; D384-N386 PolarHBondContact OD1-N 3.43Å; D384-C387 HydrophobicContact CB-CB 4.39Å; D384-C387 VanDerWaalsContact CG-N 3.33Å; D384-C387 PolarHBondContact OD1-N 3.44Å; D384-C387 WeakPolarHBondContact OD2-CA 3.4Å; D384-C387 WeakPolarHBondContact OD2-CB 3.48Å; D384-C387 PolarHBondContact OD2-N 2.89Å; D384-C387 VanDerWaalsContact OD2-N 3.09Å; D384-C387 PolarHBondContact OD2-SG 2.58Å
385	K	90	Very high	90.5	Very high	14 Å²	14	48.5 Å²	48.5	6%	0.061	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-17.9	172.3	-55.4	-179.6	-170.8	165.3	0	113.9	L362 I383 L417 E418 E444	L362-K385 HydrophobicContact CD2-CB 4.46Å; L362-K385 HydrophobicContact CD2-CG 4.39Å; I383-K385 HydrophobicContact CG2-CG 4.43Å; I383-K385 PolarHBondContact O-N 3.22Å; K385-L417 WeakPolarHBondContact CD-O 3.42Å; K385-E418 PolarHBondContact NZ-O 2.73Å; K385-E444 WeakPolarHBondContact CE-OE2 3.45Å; K385-E444 IonicContact NZ-OE1 2.72Å; K385-E444 PolarHBondContact NZ-OE1 2.99Å; K385-E444 IonicContact NZ-OE2 2.98Å; K385-E444 PolarHBondContact NZ-OE2 3.05Å
386	N	89.3	Confident	90.5	Very high	95 Å²	95	50.1 Å²	50.1	51%	0.508	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-6.9	-169.3	-72.1	-76	0	0	0	114.7	D384 K394	D384-N386 PolarHBondContact O-N 2.78Å; D384-N386 WeakPolarHBondContact OD1-CA 3.33Å; D384-N386 WeakPolarHBondContact OD1-CB 3.37Å; D384-N386 PolarHBondContact OD1-N 3.43Å; N386-K394 PolarHBondContact OD1-NZ 3.03Å
387	C	89.9	Confident	90.6	Very high	36 Å²	36	54.3 Å²	54.3	24%	0.243	28%	0.284	C	S	.	.			trans	-43.8	146.2	170.3	-111.9	0	0	0	0	112	T360 H363 D384 P395	T360-C387 HydrophobicContact CG2-CB 4.13Å; H363-C387 PolarHBondContact CE1-O 2.83Å; H363-C387 VanDerWaalsContact CE1-O 3.31Å; H363-C387 PolarHBondContact NE2-O 3.2Å; D384-C387 HydrophobicContact CB-CB 4.39Å; D384-C387 VanDerWaalsContact CG-N 3.33Å; D384-C387 PolarHBondContact OD1-N 3.44Å; D384-C387 WeakPolarHBondContact OD2-CA 3.4Å; D384-C387 WeakPolarHBondContact OD2-CB 3.48Å; D384-C387 PolarHBondContact OD2-N 2.89Å; D384-C387 VanDerWaalsContact OD2-N 3.09Å; D384-C387 PolarHBondContact OD2-SG 2.58Å; C387-P395 WeakPolarHBondContact O-CD 3.34Å
388	K	93.3	Very high	90.6	Very high	135 Å²	135	54.8 Å²	54.8	59%	0.587	29%	0.287	S	S	*	.			trans	-120.6	136.5	179.9	-69.2	-178.9	175	-173	0	111.8	G392 Q393 K394	K388-G392 WeakPolarHBondContact CD-O 3.34Å; K388-Q393 WeakPolarHBondContact CA-O 3.05Å; K388-K394 HydrophobicContact CG-CG 4.18Å
389	N	93.1	Very high	90.7	Very high	8 Å²	8	55.5 Å²	55.5	4%	0.043	29%	0.29	C	S	.	.			trans	-73	178.9	172.8	79	-2.7	0	0	0	112.4	F358 E359 H363 D391 G392 Q393	F358-N389 WeakPolarHBondContact O-CA 3.3Å; E359-N389 HydrophobicContact CG-CB 3.75Å; H363-N389 PolarHBondContact NE2-N 2.82Å; N389-D391 PolarHBondContact O-N 2.9Å; N389-D391 WeakPolarHBondContact OD1-CA 3.45Å; N389-D391 PolarHBondContact OD1-N 2.97Å; N389-G392 PolarHBondContact O-N 3.19Å; N389-G392 PolarHBondContact OD1-N 2.82Å; N389-G392 VanDerWaalsContact OD1-N 3.12Å; N389-Q393 PolarHBondContact N-O 3.23Å; N389-Q393 PolarHBondContact ND2-OE1 2.96Å; N389-Q393 WeakPolarHBondContact OD1-CB 3.49Å; N389-Q393 PolarHBondContact OD1-N 3.09Å; N389-Q393 PolarHBondContact OD1-O 3.5Å
390	R	92.7	Very high	90.8	Very high	185 Å²	185	55.5 Å²	55.5	70%	0.698	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-27.9	178.2	-178.4	175.9	176.2	-174	-2.3	113.9	S357 F358 G392	S357-R390 WeakPolarHBondContact O-CB 3.15Å; S357-R390 PolarHBondContact O-N 3.11Å; F358-R390 HydrophobicContact CB-CB 4.28Å; F358-R390 HydrophobicContact CD2-CB 4.28Å; R390-G392 VanDerWaalsContact C-N 3.27Å
391	D	91.2	Very high	90.8	Very high	114 Å²	114	57 Å²	57	61%	0.61	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	5.1	179.1	-55.3	-49.9	0	0	0	112.1	N389 Q393	N389-D391 PolarHBondContact O-N 2.9Å; N389-D391 WeakPolarHBondContact OD1-CA 3.45Å; N389-D391 PolarHBondContact OD1-N 2.97Å; D391-Q393 VanDerWaalsContact C-N 3.31Å; D391-Q393 HydrophobicContact CB-CG 4.24Å; D391-Q393 PolarHBondContact O-N 3.02Å
392	G	91.6	Very high	90.9	Very high	40 Å²	40	62 Å²	62	41%	0.412	31%	0.312	S	S	.	.	S	Bend	trans	81	4.9	178	0	0	0	0	0	115.1	K388 N389 R390	K388-G392 WeakPolarHBondContact CD-O 3.34Å; N389-G392 PolarHBondContact O-N 3.19Å; N389-G392 PolarHBondContact OD1-N 2.82Å; N389-G392 VanDerWaalsContact OD1-N 3.12Å; R390-G392 VanDerWaalsContact C-N 3.27Å
393	Q	93.1	Very high	90.8	Very high	71 Å²	71	63.2 Å²	63.2	33%	0.332	32%	0.315	S	S	.	.			trans	-88.1	144.9	-174.1	-55.9	176.5	-51.9	0	0	111.3	H363 K388 N389 D391 D397	H363-Q393 PolarHBondContact NE2-O 3.4Å; K388-Q393 WeakPolarHBondContact CA-O 3.05Å; N389-Q393 PolarHBondContact N-O 3.23Å; N389-Q393 PolarHBondContact ND2-OE1 2.96Å; N389-Q393 WeakPolarHBondContact OD1-CB 3.49Å; N389-Q393 PolarHBondContact OD1-N 3.09Å; N389-Q393 PolarHBondContact OD1-O 3.5Å; D391-Q393 VanDerWaalsContact C-N 3.31Å; D391-Q393 HydrophobicContact CB-CG 4.24Å; D391-Q393 PolarHBondContact O-N 3.02Å; Q393-D397 HydrophobicContact CB-CB 4.23Å
394	K	94.4	Very high	90.2	Very high	60 Å²	60	66.2 Å²	66.2	26%	0.261	33%	0.331	S	S	.	.			trans	-87.7	167.8	171.5	-74.3	-171.9	178.2	-173.7	0	112.2	N386 K388 S396 D397	N386-K394 PolarHBondContact OD1-NZ 3.03Å; K388-K394 HydrophobicContact CG-CG 4.18Å; K394-S396 VanDerWaalsContact CB-OG 3.28Å; K394-S396 WeakPolarHBondContact CB-OG 3.5Å; K394-S396 PolarHBondContact O-N 2.94Å; K394-D397 PolarHBondContact N-OD2 2.99Å; K394-D397 PolarHBondContact O-N 2.67Å
395	P	93.4	Very high	89.9	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-53.7	-37.8	169.2	-24.4	33.1	0	0	0	113.5	L362 C366 C387 D397 L398 L417	L362-P395 HydrophobicContact CB-CG 4.48Å; L362-P395 HydrophobicContact CD2-CB 4.39Å; L362-P395 HydrophobicContact CD2-CG 4.1Å; L362-P395 HydrophobicContact CG-CB 3.99Å; L362-P395 HydrophobicContact CG-CG 3.99Å; C366-P395 HydrophobicContact CB-CB 4.28Å; C366-P395 VanDerWaalsContact CB-O 3.29Å; C366-P395 WeakPolarHBondContact CB-O 3.32Å; C387-P395 WeakPolarHBondContact O-CD 3.34Å; P395-D397 PolarHBondContact O-N 3.34Å; P395-L398 PolarHBondContact O-N 2.86Å; P395-L417 HydrophobicContact CB-CD2 4.29Å
396	S	92.6	Very high	89.9	Confident	53 Å²	53	73.1 Å²	73.1	37%	0.371	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-56.1	-31.5	175.1	52.7	0	0	0	0	114	K394 I399	K394-S396 VanDerWaalsContact CB-OG 3.28Å; K394-S396 WeakPolarHBondContact CB-OG 3.5Å; K394-S396 PolarHBondContact O-N 2.94Å; S396-I399 VanDerWaalsContact O-CD1 3.31Å; S396-I399 WeakPolarHBondContact O-CD1 3.41Å; S396-I399 WeakPolarHBondContact O-CG1 3.18Å
397	D	92.1	Very high	89.9	Confident	99 Å²	99	72.5 Å²	72.5	53%	0.529	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-87.6	-19.6	-171.7	-46.6	-19	0	0	0	110.6	Q393 K394 P395	Q393-D397 HydrophobicContact CB-CB 4.23Å; K394-D397 PolarHBondContact N-OD2 2.99Å; K394-D397 PolarHBondContact O-N 2.67Å; P395-D397 PolarHBondContact O-N 3.34Å
398	L	91.4	Very high	89.8	Confident	11 Å²	11	78.1 Å²	78.1	6%	0.058	40%	0.395	C	S	.	.	S	Bend	trans	-94.8	-4.9	-177.1	-69.4	-179.1	0	0	0	114.5	E359 H363 K367 P395 C400 S401	E359-L398 HydrophobicContact CG-CD1 4.47Å; H363-L398 HydrophobicContact CB-CD1 4.18Å; K367-L398 WeakPolarHBondContact CA-O 3.42Å; K367-L398 HydrophobicContact CB-CB 4.32Å; P395-L398 PolarHBondContact O-N 2.86Å; L398-C400 PolarHBondContact O-N 3.15Å; L398-S401 WeakPolarHBondContact O-CB 3.41Å; L398-S401 PolarHBondContact O-N 2.94Å; L398-S401 PolarHBondContact O-OG 3.01Å
399	I	92.5	Very high	89.6	Confident	19 Å²	19	73.2 Å²	73.2	10%	0.097	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50	121.2	-170.1	-58	169.3	0	0	0	112	C366 S396 S401 K410 I413 L417	C366-I399 HydrophobicContact CB-CG1 4.34Å; C366-I399 CarbonylContact O-C 3.53Å; C366-I399 WeakPolarHBondContact O-CA 3Å; S396-I399 VanDerWaalsContact O-CD1 3.31Å; S396-I399 WeakPolarHBondContact O-CD1 3.41Å; S396-I399 WeakPolarHBondContact O-CG1 3.18Å; I399-S401 PolarHBondContact O-N 3.17Å; I399-S401 VanDerWaalsContact O-N 3.15Å; I399-K410 HydrophobicContact CG2-CB 4.22Å; I399-K410 HydrophobicContact CG2-CG 3.81Å; I399-I413 HydrophobicContact CB-CG2 4.37Å; I399-I413 HydrophobicContact CD1-CG2 3.97Å; I399-I413 HydrophobicContact CG1-CG2 3.77Å; I399-I413 HydrophobicContact CG2-CB 3.92Å; I399-I413 HydrophobicContact CG2-CD1 4.19Å; I399-I413 HydrophobicContact CG2-CG2 3.73Å; I399-L417 HydrophobicContact CD1-CD1 3.83Å; I399-L417 HydrophobicContact CG1-CD1 4.12Å
400	C	89.2	Confident	89.5	Confident	7 Å²	7	78.6 Å²	78.6	5%	0.047	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.9	19.5	-180	-55.3	0	0	0	0	115	C366 L398 R402 K403 N404 K405	C366-C400 PolarHBondContact O-N 2.8Å; L398-C400 PolarHBondContact O-N 3.15Å; C400-R402 VanDerWaalsContact C-N 3.25Å; C400-R402 PolarHBondContact O-N 2.88Å; C400-K403 CarbonylContact C-O 3.49Å; C400-K403 WeakPolarHBondContact CA-O 3.48Å; C400-K403 WeakPolarHBondContact CB-O 3.33Å; C400-N404 PolarHBondContact SG-O 2.92Å; C400-K405 HydrophobicContact CB-CG 4.33Å; C400-K405 WeakPolarHBondContact O-CE 3.42Å; C400-K405 WeakPolarHBondContact O-CG 3.46Å
401	S	88.1	Confident	89.4	Confident	50 Å²	50	75 Å²	75	35%	0.35	39%	0.39	S	S	.	.	S	Bend	trans	-59.3	-31.9	-178.2	55.6	0	0	0	0	113.7	K367 L398 I399 K405	K367-S401 PolarHBondContact O-N 2.87Å; L398-S401 WeakPolarHBondContact O-CB 3.41Å; L398-S401 PolarHBondContact O-N 2.94Å; L398-S401 PolarHBondContact O-OG 3.01Å; I399-S401 PolarHBondContact O-N 3.17Å; I399-S401 VanDerWaalsContact O-N 3.15Å; S401-K405 WeakPolarHBondContact O-CE 3.31Å; S401-K405 PolarHBondContact O-NZ 3.45Å
402	R	85.4	Confident	89.3	Confident	173 Å²	173	73.5 Å²	73.5	65%	0.653	38%	0.376	S	S	*	.	S	Bend	trans	-101.3	-54.6	179.2	-63.6	-66.6	-177.5	128.6	-2.7	114.5	K367 F368 C400	K367-R402 HydrophobicContact CD-CG 4.44Å; K367-R402 HydrophobicContact CG-CB 4.38Å; K367-R402 HydrophobicContact CG-CG 3.69Å; K367-R402 WeakPolarHBondContact O-CB 3.32Å; K367-R402 PolarHBondContact O-N 2.92Å; F368-R402 HydrophobicContact CD1-CB 3.95Å; F368-R402 HydrophobicContact CE1-CB 3.97Å; F368-R402 HydrophobicContact CE1-CG 4.3Å; C400-R402 VanDerWaalsContact C-N 3.25Å; C400-R402 PolarHBondContact O-N 2.88Å
403	K	83.6	Confident	89.3	Confident	76 Å²	76	71.6 Å²	71.6	33%	0.33	36%	0.357	S	S	.	.	S	Bend	trans	-120.9	170.1	-175.3	-78.3	179.5	-171.5	174.1	0	110.2	K306 E307 F368 C400 K405	K306-K403 PolarHBondContact O-NZ 2.79Å; E307-K403 IonicContact OE2-NZ 2.88Å; E307-K403 PolarHBondContact OE2-NZ 3.06Å; F368-K403 HydrophobicContact CB-CD 4.25Å; F368-K403 HydrophobicContact CD1-CB 4.47Å; F368-K403 HydrophobicContact CD1-CD 3.82Å; F368-K403 HydrophobicContact CD1-CG 4.01Å; F368-K403 HydrophobicContact CG-CD 4.46Å; F368-K403 WeakPolarHBondContact O-CB 3.18Å; C400-K403 CarbonylContact C-O 3.49Å; C400-K403 WeakPolarHBondContact CA-O 3.48Å; C400-K403 WeakPolarHBondContact CB-O 3.33Å; K403-K405 PolarHBondContact O-N 3.43Å
404	N	77.3	Confident	89.2	Confident	82 Å²	82	70.2 Å²	70.2	44%	0.439	36%	0.355	S	S	.	.			trans	51.4	50.2	165.6	-60.1	-6.8	0	0	0	117.2	G369 C400 T406 V409	G369-N404 WeakPolarHBondContact O-CB 3.48Å; G369-N404 PolarHBondContact O-ND2 2.94Å; C400-N404 PolarHBondContact SG-O 2.92Å; N404-T406 PolarHBondContact O-N 2.97Å; N404-V409 HydrophobicContact CB-CG1 4.37Å
405	K	83.9	Confident	88.8	Confident	153 Å²	153	69.4 Å²	69.4	67%	0.665	35%	0.353	S	S	*	.			trans	-72.6	24.7	-173.6	-68.4	178.9	178.4	-175.2	0	116.5	C400 S401 K403	C400-K405 HydrophobicContact CB-CG 4.33Å; C400-K405 WeakPolarHBondContact O-CE 3.42Å; C400-K405 WeakPolarHBondContact O-CG 3.46Å; S401-K405 WeakPolarHBondContact O-CE 3.31Å; S401-K405 PolarHBondContact O-NZ 3.45Å; K403-K405 PolarHBondContact O-N 3.43Å
406	T	89.8	Confident	88.6	Confident	68 Å²	68	71.3 Å²	71.3	42%	0.417	36%	0.361	S	S	.	.			trans	-75	138.7	178.3	-48.8	0	0	0	0	110.4	N404 E408 V409 K410	N404-T406 PolarHBondContact O-N 2.97Å; T406-E408 VanDerWaalsContact C-N 3.29Å; T406-E408 HydrophobicContact CG2-CB 4.15Å; T406-E408 HydrophobicContact CG2-CG 4.45Å; T406-E408 PolarHBondContact O-N 3.23Å; T406-V409 PolarHBondContact O-N 3.46Å; T406-K410 PolarHBondContact O-N 3.49Å
407	A	88.3	Confident	88.4	Confident	82 Å²	82	69.9 Å²	69.9	68%	0.678	35%	0.349	S	S	*	.	H	α-helix	trans	-59	-40.2	179.7	0	0	0	0	0	112.6	K410 Q411	A407-K410 PolarHBondContact O-N 3.08Å; A407-Q411 PolarHBondContact O-N 3.32Å
408	E	89.3	Confident	88.2	Confident	154 Å²	154	68.5 Å²	68.5	72%	0.72	34%	0.339	S	S	*	.	H	α-helix	trans	-58.9	-48.2	175.6	-64.5	158.4	-171.4	0	0	112.2	T406 Q411 R412	T406-E408 VanDerWaalsContact C-N 3.29Å; T406-E408 HydrophobicContact CG2-CB 4.15Å; T406-E408 HydrophobicContact CG2-CG 4.45Å; T406-E408 PolarHBondContact O-N 3.23Å; E408-Q411 PolarHBondContact O-N 2.8Å; E408-R412 WeakPolarHBondContact O-CB 3.19Å; E408-R412 PolarHBondContact O-N 3.23Å
409	V	89	Confident	87.8	Confident	33 Å²	33	71.7 Å²	71.7	20%	0.2	36%	0.357	C	S	.	.	H	α-helix	trans	-65.4	-39.9	177.9	177.7	0	0	0	0	110.8	P371 N404 T406 R412 I413	P371-V409 HydrophobicContact CG-CG1 4.22Å; N404-V409 HydrophobicContact CB-CG1 4.37Å; T406-V409 PolarHBondContact O-N 3.46Å; V409-R412 PolarHBondContact O-N 3.38Å; V409-I413 HydrophobicContact CG1-CD1 3.86Å; V409-I413 WeakPolarHBondContact O-CB 3.44Å; V409-I413 WeakPolarHBondContact O-CG1 3.48Å; V409-I413 PolarHBondContact O-N 2.75Å
410	K	90.9	Very high	87.4	Confident	121 Å²	121	71.5 Å²	71.5	53%	0.526	36%	0.355	S	S	.	.	H	α-helix	trans	-61.5	-43.5	174.4	179.4	170.7	-176.9	-178.5	0	111.8	I399 T406 A407 S414	I399-K410 HydrophobicContact CG2-CB 4.22Å; I399-K410 HydrophobicContact CG2-CG 3.81Å; T406-K410 PolarHBondContact O-N 3.49Å; A407-K410 PolarHBondContact O-N 3.08Å; K410-S414 PolarHBondContact O-N 3.17Å
411	Q	89.9	Confident	87.3	Confident	108 Å²	108	71.6 Å²	71.6	51%	0.505	36%	0.355	S	S	.	.	H	α-helix	trans	-66.4	-47.8	176.9	-169.3	62.8	52	0	0	111	A407 E408 I413 S414 D415	A407-Q411 PolarHBondContact O-N 3.32Å; E408-Q411 PolarHBondContact O-N 2.8Å; Q411-I413 VanDerWaalsContact C-N 3.28Å; Q411-I413 PolarHBondContact O-N 2.6Å; Q411-S414 WeakPolarHBondContact O-CA 3.42Å; Q411-S414 WeakPolarHBondContact O-CB 3.44Å; Q411-S414 PolarHBondContact O-N 2.85Å; Q411-D415 PolarHBondContact NE2-OD1 2.89Å; Q411-D415 PolarHBondContact O-N 3.27Å; Q411-D415 VanDerWaalsContact O-OD1 3.08Å
412	R	89.3	Confident	87.2	Confident	84 Å²	84	69.7 Å²	69.7	32%	0.317	34%	0.341	S	S	.	.	H	α-helix	trans	-58	-37.6	178.5	-173.1	169.2	177	158.4	-0.5	112.5	P371 E408 V409 Y416 E718	P371-R412 HydrophobicContact CB-CG 4.25Å; E408-R412 WeakPolarHBondContact O-CB 3.19Å; E408-R412 PolarHBondContact O-N 3.23Å; V409-R412 PolarHBondContact O-N 3.38Å; R412-Y416 HydrophobicContact CG-CD2 4.24Å; R412-Y416 HydrophobicContact CG-CE2 3.61Å; R412-Y416 VanDerWaalsContact CZ-OH 3.32Å; R412-Y416 PolarHBondContact NE-OH 2.93Å; R412-Y416 PolarHBondContact NH2-OH 2.67Å; R412-Y416 WeakPolarHBondContact O-CD2 3.37Å; R412-Y416 VanDerWaalsContact O-CG 3.31Å; R412-Y416 PolarHBondContact O-N 3.43Å; R412-E718 IonicContact CZ-OE2 3.91Å; R412-E718 IonicContact NH1-OE2 3.52Å; R412-E718 IonicContact NH2-OE2 2.85Å; R412-E718 PolarHBondContact NH2-OE2 3.49Å
413	I	91.4	Very high	87.4	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-70.4	-39.4	173	-69.5	169.4	0	0	0	111.8	C366 P371 V374 I399 V409 Q411 Y416 L417	C366-I413 HydrophobicContact CB-CG2 4.47Å; P371-I413 HydrophobicContact CB-CD1 4.48Å; P371-I413 HydrophobicContact CB-CG1 3.96Å; V374-I413 HydrophobicContact CG1-CG2 4.35Å; V374-I413 HydrophobicContact CG2-CG1 4.34Å; V374-I413 HydrophobicContact CG2-CG2 4.22Å; I399-I413 HydrophobicContact CB-CG2 4.37Å; I399-I413 HydrophobicContact CD1-CG2 3.97Å; I399-I413 HydrophobicContact CG1-CG2 3.77Å; I399-I413 HydrophobicContact CG2-CB 3.92Å; I399-I413 HydrophobicContact CG2-CD1 4.19Å; I399-I413 HydrophobicContact CG2-CG2 3.73Å; V409-I413 HydrophobicContact CG1-CD1 3.86Å; V409-I413 WeakPolarHBondContact O-CB 3.44Å; V409-I413 WeakPolarHBondContact O-CG1 3.48Å; V409-I413 PolarHBondContact O-N 2.75Å; Q411-I413 VanDerWaalsContact C-N 3.28Å; Q411-I413 PolarHBondContact O-N 2.6Å; I413-Y416 PolarHBondContact O-N 3.37Å; I413-L417 HydrophobicContact CG2-CD1 3.95Å; I413-L417 HydrophobicContact CG2-CG 4.49Å; I413-L417 WeakPolarHBondContact O-CG 3.33Å; I413-L417 PolarHBondContact O-N 2.83Å; I413-L417 VanDerWaalsContact O-N 3.15Å
414	S	90.8	Very high	87.8	Confident	42 Å²	42	59 Å²	59	29%	0.294	30%	0.302	S	S	.	.	H	α-helix	trans	-60	-47.8	174.4	-162.1	0	0	0	0	111.2	K410 Q411 Y416 L417 E418	K410-S414 PolarHBondContact O-N 3.17Å; Q411-S414 WeakPolarHBondContact O-CA 3.42Å; Q411-S414 WeakPolarHBondContact O-CB 3.44Å; Q411-S414 PolarHBondContact O-N 2.85Å; S414-Y416 PolarHBondContact O-N 3.03Å; S414-L417 PolarHBondContact O-N 3.38Å; S414-E418 PolarHBondContact O-N 3.43Å
415	D	87.1	Confident	88.3	Confident	42 Å²	42	55.2 Å²	55.2	23%	0.225	28%	0.281	C	S	.	.	H	α-helix	trans	-60	-31.1	178.7	-72.8	25.2	0	0	0	112.9	Q411 K477	Q411-D415 PolarHBondContact NE2-OD1 2.89Å; Q411-D415 PolarHBondContact O-N 3.27Å; Q411-D415 VanDerWaalsContact O-OD1 3.08Å; D415-K477 IonicContact OD2-NZ 3.52Å; D415-K477 PolarHBondContact OD2-NZ 3.41Å
416	Y	88.6	Confident	88.5	Confident	40 Å²	40	48.7 Å²	48.7	16%	0.157	25%	0.254	C	S	.	.	H	α-helix	trans	-83.5	-17.3	175.6	-66.4	-34	0	0	0	114.5	P371 V374 N375 C378 R412 I413 S414	P371-Y416 HydrophobicContact CB-CE2 4.41Å; P371-Y416 WeakPolarHBondContact O-CD2 3.46Å; P371-Y416 WeakPolarHBondContact O-CE2 3.37Å; V374-Y416 HydrophobicContact CG1-CD2 4.48Å; N375-Y416 HydrophobicContact CB-CD1 4.45Å; N375-Y416 HydrophobicContact CB-CD2 3.89Å; N375-Y416 HydrophobicContact CB-CE1 4.22Å; N375-Y416 HydrophobicContact CB-CE2 3.64Å; N375-Y416 HydrophobicContact CB-CG 4.3Å; N375-Y416 WeakPolarHBondContact OD1-CE1 3.24Å; C378-Y416 VanDerWaalsContact CB-O 3.25Å; C378-Y416 WeakPolarHBondContact CB-O 3.42Å; R412-Y416 HydrophobicContact CG-CD2 4.24Å; R412-Y416 HydrophobicContact CG-CE2 3.61Å; R412-Y416 VanDerWaalsContact CZ-OH 3.32Å; R412-Y416 PolarHBondContact NE-OH 2.93Å; R412-Y416 PolarHBondContact NH2-OH 2.67Å; R412-Y416 WeakPolarHBondContact O-CD2 3.37Å; R412-Y416 VanDerWaalsContact O-CG 3.31Å; R412-Y416 PolarHBondContact O-N 3.43Å; I413-Y416 PolarHBondContact O-N 3.37Å; S414-Y416 PolarHBondContact O-N 3.03Å
417	L	89.1	Confident	88.2	Confident	24 Å²	24	46.4 Å²	46.4	13%	0.126	24%	0.237	C	C	.	.	H	α-helix	trans	-88.2	-11.8	175	-72.4	169	0	0	0	112.8	L362 V374 K385 P395 I399 I413 S414	L362-L417 HydrophobicContact CD1-CD2 4.1Å; L362-L417 HydrophobicContact CD2-CD2 4.1Å; L362-L417 HydrophobicContact CG-CD2 4.3Å; V374-L417 HydrophobicContact CG1-CD2 4.42Å; V374-L417 HydrophobicContact CG1-CG 4.37Å; K385-L417 WeakPolarHBondContact CD-O 3.42Å; P395-L417 HydrophobicContact CB-CD2 4.29Å; I399-L417 HydrophobicContact CD1-CD1 3.83Å; I399-L417 HydrophobicContact CG1-CD1 4.12Å; I413-L417 HydrophobicContact CG2-CD1 3.95Å; I413-L417 HydrophobicContact CG2-CG 4.49Å; I413-L417 WeakPolarHBondContact O-CG 3.33Å; I413-L417 PolarHBondContact O-N 2.83Å; I413-L417 VanDerWaalsContact O-N 3.15Å; S414-L417 PolarHBondContact O-N 3.38Å
418	E	86.9	Confident	88	Confident	69 Å²	69	42.6 Å²	42.6	32%	0.322	21%	0.206	S	C	.	.	S	Bend	trans	-73.4	167.8	168.4	-70.2	177.6	-151.6	0	0	111.3	K385 S414 S474	K385-E418 PolarHBondContact NZ-O 2.73Å; S414-E418 PolarHBondContact O-N 3.43Å; E418-S474 WeakPolarHBondContact OE2-CB 3.29Å; E418-S474 PolarHBondContact OE2-OG 3.37Å
419	D	82.9	Confident	87.3	Confident	79 Å²	79	39.6 Å²	39.6	42%	0.422	20%	0.198	S	C	.	.			trans	-72.7	134.6	-177.3	-53.6	-6.2	0	0	0	111	C421 P475	D419-C421 PolarHBondContact O-N 2.78Å; D419-P475 HydrophobicContact CB-CG 3.98Å; D419-P475 WeakPolarHBondContact O-CD 3.4Å
420	R	83.9	Confident	86.7	Confident	14 Å²	14	42.2 Å²	42.2	5%	0.053	21%	0.211	C	C	.	.			trans	-77.6	98.9	-179.8	-67.8	-169.8	-171.4	-109	-10.1	110.9	N375 C378 S379 Y422 P443 E444 P472	N375-R420 PolarHBondContact O-NH2 3.2Å; N375-R420 VanDerWaalsContact O-NH2 3.09Å; N375-R420 PolarHBondContact OD1-NH1 3.48Å; N375-R420 PolarHBondContact OD1-NH2 2.94Å; C378-R420 PolarHBondContact O-NE 3.2Å; C378-R420 PolarHBondContact O-NH2 2.7Å; S379-R420 PolarHBondContact OG-NE 3Å; S379-R420 PolarHBondContact OG-NH1 3.48Å; S379-R420 VanDerWaalsContact OG-NH1 3.14Å; S379-R420 PolarHBondContact OG-NH2 2.97Å; R420-Y422 HydrophobicContact CB-CE2 3.9Å; R420-Y422 WeakPolarHBondContact O-CD2 3.36Å; R420-Y422 WeakPolarHBondContact O-CE2 3.07Å; R420-P443 WeakPolarHBondContact O-CD 3.17Å; R420-E444 PolarHBondContact N-OE1 3.36Å; R420-P472 HydrophobicContact CB-CB 4.14Å; R420-P472 HydrophobicContact CG-CB 4.14Å
421	C	86.8	Confident	86	Confident	10 Å²	10	40.9 Å²	40.9	7%	0.068	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	136.1	176.2	-74.8	0	0	0	0	112.1	D419 W441 L473 A478	D419-C421 PolarHBondContact O-N 2.78Å; C421-W441 CarbonylContact C-O 3.59Å; C421-W441 VanDerWaalsContact CA-O 3.3Å; C421-W441 WeakPolarHBondContact CA-O 3.49Å; C421-L473 WeakPolarHBondContact CA-O 3.31Å; C421-L473 WeakPolarHBondContact CB-O 3.39Å; C421-L473 PolarHBondContact N-O 2.66Å; C421-L473 PolarHBondContact O-N 3.02Å; C421-A478 HydrophobicContact CB-CB 3.5Å
422	Y	87.7	Confident	85.4	Confident	9 Å²	9	40.5 Å²	40.5	4%	0.035	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	152.5	174.6	-57.2	-104.3	0	0	0	109.7	R420 W441 P443 F469 A470 P472	R420-Y422 HydrophobicContact CB-CE2 3.9Å; R420-Y422 WeakPolarHBondContact O-CD2 3.36Å; R420-Y422 WeakPolarHBondContact O-CE2 3.07Å; Y422-W441 AromaticContact CD2-CE3 3.75Å; Y422-W441 HydrophobicContact CD2-CE3 3.75Å; Y422-W441 AromaticContact CD2-CZ3 3.66Å; Y422-W441 HydrophobicContact CD2-CZ3 3.66Å; Y422-W441 HydrophobicContact CE2-CZ3 4.14Å; Y422-W441 HydrophobicContact CG-CE3 4.23Å; Y422-W441 HydrophobicContact CG-CZ3 4.35Å; Y422-W441 PolarHBondContact N-O 3.22Å; Y422-W441 PolarHBondContact O-N 2.94Å; Y422-P443 HydrophobicContact CE2-CG 4.3Å; Y422-F469 AromaticContact CD1-CD2 3.96Å; Y422-F469 HydrophobicContact CD1-CD2 3.96Å; Y422-F469 HydrophobicContact CD1-CE2 4.08Å; Y422-F469 HydrophobicContact CE1-CE2 4.36Å; Y422-A470 CarbonylContact C-O 3.59Å; Y422-A470 WeakPolarHBondContact CA-O 3.34Å; Y422-P472 HydrophobicContact CE1-CB 4.12Å; Y422-P472 HydrophobicContact CE2-CB 4.39Å
423	I	89.6	Confident	85	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	94.4	-175.1	-53.6	159.6	0	0	0	108.2	I437 F469 A470 L473 A478 F481 R482 W485	I423-I437 HydrophobicContact CG2-CG2 3.91Å; I423-F469 VanDerWaalsContact O-CA 3.31Å; I423-F469 WeakPolarHBondContact O-CA 3.35Å; I423-A470 PolarHBondContact N-O 3.3Å; I423-A470 PolarHBondContact O-N 3.4Å; I423-L473 HydrophobicContact CD1-CD1 4.22Å; I423-A478 HydrophobicContact CD1-CB 4.06Å; I423-A478 WeakPolarHBondContact CD1-O 3.31Å; I423-A478 HydrophobicContact CG1-CB 4.29Å; I423-F481 HydrophobicContact CD1-CB 3.86Å; I423-F481 HydrophobicContact CD1-CD1 3.51Å; I423-F481 HydrophobicContact CD1-CG 4.07Å; I423-R482 HydrophobicContact CD1-CB 4.2Å; I423-R482 HydrophobicContact CG2-CB 4.38Å; I423-R482 HydrophobicContact CG2-CG 4.43Å; I423-W485 HydrophobicContact CG2-CE3 4.09Å; I423-W485 HydrophobicContact CG2-CZ3 3.98Å
424	P	90.4	Very high	84.4	Confident	26 Å²	26	46.4 Å²	46.4	17%	0.169	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	142.5	-177.9	30	-33.8	0	0	0	112	L426 G438 V466	P424-L426 HydrophobicContact CB-CD2 4.42Å; P424-G438 PolarHBondContact O-N 2.92Å; P424-V466 HydrophobicContact CB-CG1 3.98Å; P424-V466 HydrophobicContact CB-CG2 4.24Å
425	L	89.4	Confident	84.2	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.005	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	120.7	163.1	-170.5	68.5	0	0	0	109.2	P435 I437 V466 T467 A468 W485 A508 E509	L425-P435 HydrophobicContact CD1-CB 4.1Å; L425-P435 HydrophobicContact CG-CB 4.44Å; L425-I437 HydrophobicContact CD1-CG1 3.7Å; L425-V466 CarbonylContact O-C 3.52Å; L425-V466 WeakPolarHBondContact O-CA 3.46Å; L425-T467 PolarHBondContact O-N 3.35Å; L425-T467 PolarHBondContact O-OG1 3.4Å; L425-A468 HydrophobicContact CB-CB 4.26Å; L425-A468 HydrophobicContact CD2-CB 4.47Å; L425-A468 PolarHBondContact N-O 3.25Å; L425-W485 HydrophobicContact CB-CH2 3.81Å; L425-W485 HydrophobicContact CB-CZ2 4.2Å; L425-W485 HydrophobicContact CD1-CH2 4.13Å; L425-W485 HydrophobicContact CD1-CZ2 3.82Å; L425-W485 HydrophobicContact CD2-CZ2 4.14Å; L425-W485 HydrophobicContact CG-CH2 4.39Å; L425-W485 HydrophobicContact CG-CZ2 4.29Å; L425-A508 HydrophobicContact CD1-CB 4.33Å; L425-A508 HydrophobicContact CD2-CB 4.05Å; L425-E509 HydrophobicContact CD2-CB 4.43Å; L425-E509 VanDerWaalsContact CD2-CD 3.41Å; L425-E509 HydrophobicContact CD2-CG 3.65Å; L425-E509 WeakPolarHBondContact CD2-OE1 3.44Å
426	L	86.6	Confident	84.1	Confident	17 Å²	17	47.2 Å²	47.2	9%	0.089	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	130.3	178.2	-55	178	0	0	0	110.1	P424 P435 I436 M464 T465 V466	P424-L426 HydrophobicContact CB-CD2 4.42Å; L426-P435 CarbonylContact O-C 3.59Å; L426-P435 WeakPolarHBondContact O-CA 3.42Å; L426-I436 HydrophobicContact CB-CB 4.35Å; L426-I436 WeakPolarHBondContact CB-O 3.35Å; L426-I436 PolarHBondContact N-O 3.13Å; L426-I436 PolarHBondContact O-N 2.94Å; L426-M464 HydrophobicContact CB-CB 4.49Å; L426-M464 HydrophobicContact CB-SD 4.47Å; L426-T465 WeakPolarHBondContact CA-O 3.32Å; L426-V466 HydrophobicContact CD2-CG2 3.83Å
427	R	84.3	Confident	84.1	Confident	19 Å²	19	46.3 Å²	46.3	7%	0.072	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	149	165.7	-77.3	-169.1	-179.6	-112.5	3.2	110.7	P435 M464 T465 T467 P504 D505 E509	R427-P435 HydrophobicContact CG-CB 3.91Å; R427-M464 WeakPolarHBondContact O-CA 3.26Å; R427-T465 PolarHBondContact N-O 2.62Å; R427-T465 PolarHBondContact O-N 3.13Å; R427-T465 PolarHBondContact O-OG1 2.98Å; R427-T467 HydrophobicContact CB-CG2 3.89Å; R427-T467 HydrophobicContact CG-CG2 4.19Å; R427-P504 PolarHBondContact NH1-O 2.93Å; R427-P504 PolarHBondContact NH2-O 3.26Å; R427-D505 PolarHBondContact NE-O 3.35Å; R427-D505 PolarHBondContact NH1-O 3.19Å; R427-D505 PolarHBondContact NH2-O 3.26Å; R427-E509 WeakPolarHBondContact CD-OE1 3.44Å; R427-E509 IonicContact CZ-OE1 2.73Å; R427-E509 IonicContact CZ-OE2 2.66Å; R427-E509 IonicContact NE-OE1 3.62Å; R427-E509 PolarHBondContact NE-OE1 2.82Å; R427-E509 IonicContact NE-OE2 2.68Å; R427-E509 PolarHBondContact NE-OE2 3.42Å; R427-E509 IonicContact NH2-OE1 3.62Å; R427-E509 IonicContact NH2-OE2 2.63Å; R427-E509 PolarHBondContact NH2-OE2 3.01Å
428	A	83.1	Confident	83.8	Confident	2 Å²	2	45.4 Å²	45.4	2%	0.017	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	134.7	165.2	0	0	0	0	0	110.3	D430 N431 S433 P462 W463 M464	A428-D430 WeakPolarHBondContact CB-OD1 3.44Å; A428-D430 PolarHBondContact O-N 3.42Å; A428-N431 PolarHBondContact O-N 2.9Å; A428-S433 WeakPolarHBondContact CB-OG 3.31Å; A428-P462 HydrophobicContact CB-CB 3.79Å; A428-P462 HydrophobicContact CB-CG 3.87Å; A428-W463 WeakPolarHBondContact CA-O 3.18Å; A428-M464 HydrophobicContact CB-SD 4.41Å
429	T	75.8	Confident	83.6	Confident	91 Å²	91	43.4 Å²	43.4	56%	0.558	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-12	-178.3	51	0	0	0	0	115	W463 T465	T429-W463 PolarHBondContact N-O 3.44Å; T429-W463 PolarHBondContact OG1-O 3.16Å; T429-T465 HydrophobicContact CG2-CG2 3.56Å
430	D	75.7	Confident	83.6	Confident	89 Å²	89	41.3 Å²	41.3	48%	0.476	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.4	5.3	178.7	57.8	18.1	0	0	0	113.1	A428 T432	A428-D430 WeakPolarHBondContact CB-OD1 3.44Å; A428-D430 PolarHBondContact O-N 3.42Å; D430-T432 HydrophobicContact CB-CG2 4.1Å; D430-T432 PolarHBondContact O-N 3Å; D430-T432 VanDerWaalsContact O-N 3.13Å; D430-T432 VanDerWaalsContact OD1-CB 3.29Å; D430-T432 WeakPolarHBondContact OD1-CB 3.49Å; D430-T432 VanDerWaalsContact OD1-CG2 3.27Å; D430-T432 WeakPolarHBondContact OD1-CG2 3.31Å; D430-T432 PolarHBondContact OD1-N 3.1Å; D430-T432 PolarHBondContact OD1-OG1 3.47Å; D430-T432 PolarHBondContact OD2-OG1 3.15Å
431	N	76.2	Confident	83.5	Confident	92 Å²	92	42.4 Å²	42.4	49%	0.492	24%	0.238	S	C	.	.	S	Bend	trans	53.5	21.7	-173.9	-71.2	-33	0	0	0	115	A428 S433	A428-N431 PolarHBondContact O-N 2.9Å; N431-S433 VanDerWaalsContact C-N 3.3Å; N431-S433 PolarHBondContact O-N 2.91Å
432	T	77.4	Confident	83.2	Confident	100 Å²	100	42.2 Å²	42.2	61%	0.613	24%	0.237	S	C	*	.			trans	-72.7	-20.1	-179.9	56.7	0	0	0	0	114.1	D430 P462	D430-T432 HydrophobicContact CB-CG2 4.1Å; D430-T432 PolarHBondContact O-N 3Å; D430-T432 VanDerWaalsContact O-N 3.13Å; D430-T432 VanDerWaalsContact OD1-CB 3.29Å; D430-T432 WeakPolarHBondContact OD1-CB 3.49Å; D430-T432 VanDerWaalsContact OD1-CG2 3.27Å; D430-T432 WeakPolarHBondContact OD1-CG2 3.31Å; D430-T432 PolarHBondContact OD1-N 3.1Å; D430-T432 PolarHBondContact OD1-OG1 3.47Å; D430-T432 PolarHBondContact OD2-OG1 3.15Å; T432-P462 WeakPolarHBondContact OG1-CB 3.41Å
433	S	80.4	Confident	82.3	Confident	38 Å²	38	43.6 Å²	43.6	27%	0.266	25%	0.247	S	C	.	.	S	Bend	trans	-122.2	154	178.4	69.6	0	0	0	0	112.2	A428 N431	A428-S433 WeakPolarHBondContact CB-OG 3.31Å; N431-S433 VanDerWaalsContact C-N 3.3Å; N431-S433 PolarHBondContact O-N 2.91Å
434	Q	80.3	Confident	81	Confident	171 Å²	171	47.6 Å²	47.6	80%	0.799	27%	0.265	S	S	*	.			trans	-61.7	149.3	173.5	-66.3	-178.7	2.6	0	0	111.7	I436	Q434-I436 PolarHBondContact O-N 3.42Å
435	P	85.8	Confident	79.6	Confident	43 Å²	43	48.4 Å²	48.4	28%	0.279	27%	0.272	S	S	.	.			trans	-60.9	134.6	175.5	23	-32.6	0	0	0	111.8	L425 L426 R427 A508	L425-P435 HydrophobicContact CD1-CB 4.1Å; L425-P435 HydrophobicContact CG-CB 4.44Å; L426-P435 CarbonylContact O-C 3.59Å; L426-P435 WeakPolarHBondContact O-CA 3.42Å; R427-P435 HydrophobicContact CG-CB 3.91Å; P435-A508 HydrophobicContact CB-CB 3.96Å; P435-A508 HydrophobicContact CG-CB 3.55Å
436	I	85.9	Confident	77.7	Confident	57 Å²	57	54.2 Å²	54.2	29%	0.292	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	110.3	-178.9	-56.4	176.6	0	0	0	108.8	L426 Q434 G438 M464	L426-I436 HydrophobicContact CB-CB 4.35Å; L426-I436 WeakPolarHBondContact CB-O 3.35Å; L426-I436 PolarHBondContact N-O 3.13Å; L426-I436 PolarHBondContact O-N 2.94Å; Q434-I436 PolarHBondContact O-N 3.42Å; I436-G438 PolarHBondContact O-N 3.34Å; I436-M464 HydrophobicContact CD1-CE 4.01Å
437	I	87.9	Confident	76	Confident	22 Å²	22	59.6 Å²	59.6	11%	0.113	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	123.8	165.2	-60.3	157.2	0	0	0	107.3	I423 L425 R482 W485 K486	I423-I437 HydrophobicContact CG2-CG2 3.91Å; L425-I437 HydrophobicContact CD1-CG1 3.7Å; I437-R482 HydrophobicContact CG2-CG 4.44Å; I437-W485 HydrophobicContact CB-CE3 4.46Å; I437-W485 HydrophobicContact CD1-CB 4.01Å; I437-W485 HydrophobicContact CD1-CD2 3.64Å; I437-W485 HydrophobicContact CD1-CE3 4.31Å; I437-W485 HydrophobicContact CD1-CG 3.44Å; I437-W485 VanDerWaalsContact CD1-CG 3.44Å; I437-W485 HydrophobicContact CG1-CD2 3.73Å; I437-W485 HydrophobicContact CG1-CE3 4.03Å; I437-W485 HydrophobicContact CG1-CG 4.11Å; I437-W485 HydrophobicContact CG1-CZ2 4.31Å; I437-W485 HydrophobicContact CG1-CZ3 4.46Å; I437-W485 HydrophobicContact CG2-CD2 4.1Å; I437-W485 HydrophobicContact CG2-CE3 3.61Å; I437-W485 HydrophobicContact CG2-CZ3 4.1Å; I437-K486 HydrophobicContact CB-CG 3.98Å; I437-K486 HydrophobicContact CD1-CB 4.49Å; I437-K486 HydrophobicContact CD1-CG 3.78Å; I437-K486 HydrophobicContact CG2-CG 4.05Å; I437-K486 VanDerWaalsContact O-CE 3.27Å; I437-K486 WeakPolarHBondContact O-CE 3.36Å; I437-K486 PolarHBondContact O-NZ 3.44Å
438	G	82.4	Confident	74.3	Confident	5 Å²	5	59.1 Å²	59.1	5%	0.052	34%	0.337	C	S	.	.			trans	-68.6	-162.1	-170.9	0	0	0	0	0	115.6	P424 I436 R482	P424-G438 PolarHBondContact O-N 2.92Å; I436-G438 PolarHBondContact O-N 3.34Å; G438-R482 PolarHBondContact O-NE 3.39Å; G438-R482 PolarHBondContact O-NH2 3.46Å
439	A	83.2	Confident	72.5	Confident	26 Å²	26	64.8 Å²	64.8	22%	0.215	37%	0.366	C	S	.	.			trans	-84.3	162.5	157.9	0	0	0	0	0	109.6	W441 L451	A439-W441 PolarHBondContact O-N 3.19Å; A439-L451 HydrophobicContact CB-CD1 4.17Å
440	S	83.6	Confident	71.2	Confident	36 Å²	36	62.1 Å²	62.1	25%	0.252	35%	0.351	S	S	.	.			trans	-56.2	128.2	155.8	7.2	0	0	0	0	107.8	D479	S440-D479 PolarHBondContact OG-OD1 3.45Å
441	W	81.6	Confident	70.1	Confident	37 Å²	37	60 Å²	60	14%	0.14	34%	0.34	C	S	.	.	B	Isolated β-bridge	trans	-126.1	136.8	-175.6	172.1	101.4	0	0	0	108.4	C421 Y422 A439 P443 S448 M708	C421-W441 CarbonylContact C-O 3.59Å; C421-W441 VanDerWaalsContact CA-O 3.3Å; C421-W441 WeakPolarHBondContact CA-O 3.49Å; Y422-W441 AromaticContact CD2-CE3 3.75Å; Y422-W441 HydrophobicContact CD2-CE3 3.75Å; Y422-W441 AromaticContact CD2-CZ3 3.66Å; Y422-W441 HydrophobicContact CD2-CZ3 3.66Å; Y422-W441 HydrophobicContact CE2-CZ3 4.14Å; Y422-W441 HydrophobicContact CG-CE3 4.23Å; Y422-W441 HydrophobicContact CG-CZ3 4.35Å; Y422-W441 PolarHBondContact N-O 3.22Å; Y422-W441 PolarHBondContact O-N 2.94Å; A439-W441 PolarHBondContact O-N 3.19Å; W441-P443 HydrophobicContact CH2-CB 4Å; W441-P443 HydrophobicContact CH2-CG 3.74Å; W441-P443 HydrophobicContact CZ3-CB 4.4Å; W441-P443 HydrophobicContact CZ3-CG 3.67Å; W441-S448 VanDerWaalsContact CD1-OG 3.27Å; W441-S448 VanDerWaalsContact NE1-CB 3.33Å; W441-S448 PolarHBondContact NE1-OG 3.23Å; W441-M708 HydrophobicContact CH2-CE 3.73Å; W441-M708 HydrophobicContact CH2-CG 4.01Å; W441-M708 HydrophobicContact CH2-SD 3.87Å; W441-M708 HydrophobicContact CZ2-CE 3.78Å; W441-M708 HydrophobicContact CZ2-CG 4.29Å; W441-M708 HydrophobicContact CZ2-SD 3.63Å
442	S	80.6	Confident	68.9	Low	5 Å²	5	58.6 Å²	58.6	4%	0.035	33%	0.331	C	S	.	.			trans	-126.2	144.2	175.9	168.4	0	0	0	0	110.3	E444 S445 S448	S442-E444 PolarHBondContact O-N 3.19Å; S442-E444 PolarHBondContact OG-N 2.86Å; S442-E444 VanDerWaalsContact OG-N 3.15Å; S442-S445 WeakPolarHBondContact CB-OG 3.21Å; S442-S445 PolarHBondContact O-N 3.2Å; S442-S445 PolarHBondContact O-OG 3.49Å; S442-S445 VanDerWaalsContact O-OG 3.05Å; S442-S448 PolarHBondContact O-OG 3.18Å
443	P	67.8	Low	67.6	Low	38 Å²	38	60.4 Å²	60.4	25%	0.247	33%	0.333	C	S	.	.	S	Bend	trans	-60.2	-36.2	170.1	-16	27	0	0	0	111.7	R420 Y422 W441 S445 E712	R420-P443 WeakPolarHBondContact O-CD 3.17Å; Y422-P443 HydrophobicContact CE2-CG 4.3Å; W441-P443 HydrophobicContact CH2-CB 4Å; W441-P443 HydrophobicContact CH2-CG 3.74Å; W441-P443 HydrophobicContact CZ3-CB 4.4Å; W441-P443 HydrophobicContact CZ3-CG 3.67Å; P443-S445 VanDerWaalsContact C-N 3.31Å; P443-S445 PolarHBondContact O-N 3.45Å; P443-E712 WeakPolarHBondContact CG-OE1 3.38Å
444	E	63.1	Low	66.1	Low	84 Å²	84	64.5 Å²	64.5	39%	0.393	34%	0.342	S	S	.	.	S	Bend	trans	-77.4	-17.4	-173.8	-59.2	162.4	-109.5	0	0	112	K385 R420 S442	K385-E444 WeakPolarHBondContact CE-OE2 3.45Å; K385-E444 IonicContact NZ-OE1 2.72Å; K385-E444 PolarHBondContact NZ-OE1 2.99Å; K385-E444 IonicContact NZ-OE2 2.98Å; K385-E444 PolarHBondContact NZ-OE2 3.05Å; R420-E444 PolarHBondContact N-OE1 3.36Å; S442-E444 PolarHBondContact O-N 3.19Å; S442-E444 PolarHBondContact OG-N 2.86Å; S442-E444 VanDerWaalsContact OG-N 3.15Å
445	S	60.9	Low	64.8	Low	44 Å²	44	59.8 Å²	59.8	31%	0.308	32%	0.321	S	S	.	.			trans	-92.4	109.6	-177.9	65.6	0	0	0	0	113	S442 P443 E447 S448	S442-S445 WeakPolarHBondContact CB-OG 3.21Å; S442-S445 PolarHBondContact O-N 3.2Å; S442-S445 PolarHBondContact O-OG 3.49Å; S442-S445 VanDerWaalsContact O-OG 3.05Å; P443-S445 VanDerWaalsContact C-N 3.31Å; P443-S445 PolarHBondContact O-N 3.45Å; S445-E447 PolarHBondContact O-N 2.94Å; S445-S448 WeakPolarHBondContact O-CB 3.47Å; S445-S448 PolarHBondContact O-N 2.76Å; S445-S448 PolarHBondContact O-OG 3.06Å; S445-S448 VanDerWaalsContact O-OG 3.14Å; S445-S448 PolarHBondContact OG-OG 3.5Å
446	S	49.2	Very low	63.3	Low	122 Å²	122	61.2 Å²	61.2	85%	0.853	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-21.7	178.2	-168.1	0	0	0	0	114.5	S448	S446-S448 PolarHBondContact O-N 2.68Å
447	E	49.9	Very low	61.9	Low	130 Å²	130	67.9 Å²	67.9	61%	0.607	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-19.5	175	-60.4	-153.7	153.3	0	0	114.5	S445 L449 S450 L451	S445-E447 PolarHBondContact O-N 2.94Å; E447-L449 VanDerWaalsContact C-N 3.31Å; E447-L449 PolarHBondContact O-N 2.81Å; E447-L449 VanDerWaalsContact O-N 3.17Å; E447-S450 WeakPolarHBondContact O-CB 3.4Å; E447-S450 PolarHBondContact O-N 2.69Å; E447-S450 PolarHBondContact O-OG 3.1Å; E447-L451 PolarHBondContact O-N 2.97Å
448	S	49.2	Very low	60.6	Low	9 Å²	9	69 Å²	69	6%	0.063	36%	0.36	C	S	.	.	H	α-helix	trans	-51.3	-40.2	-170.5	-86.5	0	0	0	0	114.7	W441 S442 S445 S446	W441-S448 VanDerWaalsContact CD1-OG 3.27Å; W441-S448 VanDerWaalsContact NE1-CB 3.33Å; W441-S448 PolarHBondContact NE1-OG 3.23Å; S442-S448 PolarHBondContact O-OG 3.18Å; S445-S448 WeakPolarHBondContact O-CB 3.47Å; S445-S448 PolarHBondContact O-N 2.76Å; S445-S448 PolarHBondContact O-OG 3.06Å; S445-S448 VanDerWaalsContact O-OG 3.14Å; S445-S448 PolarHBondContact OG-OG 3.5Å; S446-S448 PolarHBondContact O-N 2.68Å
449	L	46	Very low	59.6	Low	122 Å²	122	75.7 Å²	75.7	64%	0.639	40%	0.402	S	S	*	.	H	α-helix	trans	-68.7	-33.9	178.6	-65	176.3	0	0	0	112.5	E447 L451 Q453	E447-L449 VanDerWaalsContact C-N 3.31Å; E447-L449 PolarHBondContact O-N 2.81Å; E447-L449 VanDerWaalsContact O-N 3.17Å; L449-L451 VanDerWaalsContact C-N 3.35Å; L449-L451 PolarHBondContact O-N 2.8Å; L449-Q453 PolarHBondContact O-N 2.85Å
450	S	48.9	Very low	58.7	Low	35 Å²	35	80.4 Å²	80.4	25%	0.245	43%	0.428	C	S	.	.	H	α-helix	trans	-69.8	-32.7	-178.7	82.3	0	0	0	0	112.3	E447 R454	E447-S450 WeakPolarHBondContact O-CB 3.4Å; E447-S450 PolarHBondContact O-N 2.69Å; E447-S450 PolarHBondContact O-OG 3.1Å; S450-R454 WeakPolarHBondContact O-CB 3.42Å; S450-R454 WeakPolarHBondContact O-CG 3.27Å; S450-R454 PolarHBondContact O-N 3.04Å
451	L	51.9	Low	57.8	Low	44 Å²	44	82 Å²	82	23%	0.23	43%	0.434	C	S	.	.	H	α-helix	trans	-69.4	-35	-178.6	-74.8	166	0	0	0	112.1	A439 E447 L449 H455	A439-L451 HydrophobicContact CB-CD1 4.17Å; E447-L451 PolarHBondContact O-N 2.97Å; L449-L451 VanDerWaalsContact C-N 3.35Å; L449-L451 PolarHBondContact O-N 2.8Å; L451-H455 PolarHBondContact O-CE1 3.46Å; L451-H455 PolarHBondContact O-ND1 3.07Å
452	I	51.6	Low	57.2	Low	62 Å²	62	81.8 Å²	81.8	32%	0.318	44%	0.438	S	S	.	.	H	α-helix	trans	-70.8	-49.4	176.1	-62.6	160.6	0	0	0	109.6	R454 H455 I704	I452-R454 PolarHBondContact O-N 3.26Å; I452-H455 PolarHBondContact O-N 2.86Å; I452-I704 HydrophobicContact CD1-CD1 3.89Å; I452-I704 HydrophobicContact CG2-CD1 4.13Å
453	Q	49.2	Very low	56.7	Low	138 Å²	138	89 Å²	89	65%	0.645	46%	0.464	S	S	*	.	H	α-helix	trans	-59.7	-30.1	177.1	-71.1	-178.6	-17.9	0	0	113.7	L449 H455 T456	L449-Q453 PolarHBondContact O-N 2.85Å; Q453-H455 PolarHBondContact O-N 3.05Å; Q453-H455 VanDerWaalsContact O-N 3.1Å; Q453-T456 PolarHBondContact O-N 3.11Å; Q453-T456 VanDerWaalsContact O-N 3.08Å; Q453-T456 PolarHBondContact O-OG1 3.39Å; Q453-T456 VanDerWaalsContact O-OG1 3.14Å
454	R	49.8	Very low	57.2	Low	124 Å²	124	89 Å²	89	47%	0.468	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-14.5	175.2	-80.8	171	-163.8	177.7	9.7	114.2	S450 I452 R457	S450-R454 WeakPolarHBondContact O-CB 3.42Å; S450-R454 WeakPolarHBondContact O-CG 3.27Å; S450-R454 PolarHBondContact O-N 3.04Å; I452-R454 PolarHBondContact O-N 3.26Å; R454-R457 WeakPolarHBondContact O-CG 3.13Å; R454-R457 PolarHBondContact O-NE 2.85Å
455	H	52.4	Low	58.2	Low	73 Å²	73	87.2 Å²	87.2	34%	0.338	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-6.5	176.3	-62.8	87.2	0	0	0	113.7	L451 I452 Q453	L451-H455 PolarHBondContact O-CE1 3.46Å; L451-H455 PolarHBondContact O-ND1 3.07Å; I452-H455 PolarHBondContact O-N 2.86Å; Q453-H455 PolarHBondContact O-N 3.05Å; Q453-H455 VanDerWaalsContact O-N 3.1Å
456	T	53.3	Low	59.4	Low	72 Å²	72	86.5 Å²	86.5	44%	0.442	45%	0.45	S	S	.	.			trans	-115	74.2	175.2	55.8	0	0	0	0	108.9	Q453	Q453-T456 PolarHBondContact O-N 3.11Å; Q453-T456 VanDerWaalsContact O-N 3.08Å; Q453-T456 PolarHBondContact O-OG1 3.39Å; Q453-T456 VanDerWaalsContact O-OG1 3.14Å
457	R	56.4	Low	61.3	Low	197 Å²	197	81.9 Å²	81.9	74%	0.743	42%	0.416	S	S	*	.			trans	-96.7	-21.6	-172.8	-69.3	-174.2	-178.1	-150.2	-4	113.4	R454 D461	R454-R457 WeakPolarHBondContact O-CG 3.13Å; R454-R457 PolarHBondContact O-NE 2.85Å; R457-D461 PolarHBondContact N-OD2 2.68Å
458	S	61	Low	63.2	Low	47 Å²	47	75.7 Å²	75.7	33%	0.329	39%	0.388	S	S	.	.	S	Bend	trans	-119.2	143.2	174.3	-175.2	0	0	0	0	110.8	T460 D461	S458-T460 PolarHBondContact O-N 2.79Å; S458-T460 PolarHBondContact OG-N 3.41Å; S458-T460 VanDerWaalsContact OG-N 3.12Å; S458-T460 PolarHBondContact OG-OG1 3.03Å; S458-T460 VanDerWaalsContact OG-OG1 3.13Å; S458-D461 WeakPolarHBondContact CB-OD1 3.49Å; S458-D461 PolarHBondContact N-OD2 3.24Å; S458-D461 WeakPolarHBondContact O-CB 3.43Å; S458-D461 PolarHBondContact O-N 3.27Å
459	P	62.8	Low	65.2	Low	144 Å²	144	75.7 Å²	75.7	94%	0.935	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-4.7	163.8	-21.7	34.1	0	0	0	114.4
460	T	62.9	Low	67.3	Low	125 Å²	125	69.9 Å²	69.9	77%	0.767	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.8	-4.4	174.6	-21.9	0	0	0	0	113.5	S458	S458-T460 PolarHBondContact O-N 2.79Å; S458-T460 PolarHBondContact OG-N 3.41Å; S458-T460 VanDerWaalsContact OG-N 3.12Å; S458-T460 PolarHBondContact OG-OG1 3.03Å; S458-T460 VanDerWaalsContact OG-OG1 3.13Å
461	D	65.5	Low	69.1	Low	71 Å²	71	68.3 Å²	68.3	38%	0.38	35%	0.345	S	S	.	.	S	Bend	trans	-70.3	137.5	174.3	-63.6	-25.2	0	0	0	109.1	R457 S458	R457-D461 PolarHBondContact N-OD2 2.68Å; S458-D461 WeakPolarHBondContact CB-OD1 3.49Å; S458-D461 PolarHBondContact N-OD2 3.24Å; S458-D461 WeakPolarHBondContact O-CB 3.43Å; S458-D461 PolarHBondContact O-N 3.27Å
462	P	68.7	Low	70.8	Confident	32 Å²	32	67.3 Å²	67.3	21%	0.208	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-68.7	144.2	-179.4	30	-35.5	0	0	0	110.9	A428 T432 M464	A428-P462 HydrophobicContact CB-CB 3.79Å; A428-P462 HydrophobicContact CB-CG 3.87Å; T432-P462 WeakPolarHBondContact OG1-CB 3.41Å; P462-M464 HydrophobicContact CG-CE 4.26Å; P462-M464 PolarHBondContact O-N 2.76Å
463	W	69.8	Low	72.5	Confident	157 Å²	157	65 Å²	65	60%	0.595	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-67.1	120.5	-174.4	-172.1	-83	0	0	0	111.2	A428 T429 P703	A428-W463 WeakPolarHBondContact CA-O 3.18Å; T429-W463 PolarHBondContact N-O 3.44Å; T429-W463 PolarHBondContact OG1-O 3.16Å; W463-P703 HydrophobicContact CZ2-CG 4.21Å
464	M	79.2	Confident	74.3	Confident	36 Å²	36	58.9 Å²	58.9	18%	0.177	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	129.4	-178.2	-65	-69.4	170.9	0	0	111.3	L426 R427 A428 I436 P462	L426-M464 HydrophobicContact CB-CB 4.49Å; L426-M464 HydrophobicContact CB-SD 4.47Å; R427-M464 WeakPolarHBondContact O-CA 3.26Å; A428-M464 HydrophobicContact CB-SD 4.41Å; I436-M464 HydrophobicContact CD1-CE 4.01Å; P462-M464 HydrophobicContact CG-CE 4.26Å; P462-M464 PolarHBondContact O-N 2.76Å
465	T	83.5	Confident	76.1	Confident	48 Å²	48	55.3 Å²	55.3	29%	0.294	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	141	173	41.2	0	0	0	0	111.1	L426 R427 T429 T467	L426-T465 WeakPolarHBondContact CA-O 3.32Å; R427-T465 PolarHBondContact N-O 2.62Å; R427-T465 PolarHBondContact O-N 3.13Å; R427-T465 PolarHBondContact O-OG1 2.98Å; T429-T465 HydrophobicContact CG2-CG2 3.56Å; T465-T467 PolarHBondContact O-N 3.35Å
466	V	86.8	Confident	77.7	Confident	29 Å²	29	54.9 Å²	54.9	18%	0.176	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	132.1	166.4	-173.6	0	0	0	0	108.2	P424 L425 L426 F533 I704	P424-V466 HydrophobicContact CB-CG1 3.98Å; P424-V466 HydrophobicContact CB-CG2 4.24Å; L425-V466 CarbonylContact O-C 3.52Å; L425-V466 WeakPolarHBondContact O-CA 3.46Å; L426-V466 HydrophobicContact CD2-CG2 3.83Å; V466-F533 HydrophobicContact CB-CZ 4.25Å; V466-F533 HydrophobicContact CG1-CE1 3.97Å; V466-F533 HydrophobicContact CG1-CZ 4.08Å; V466-I704 HydrophobicContact CG2-CD1 4.38Å; V466-I704 HydrophobicContact CG2-CG1 4.48Å
467	T	87.9	Confident	79.5	Confident	24 Å²	24	55.1 Å²	55.1	15%	0.147	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	-28.2	-176.7	40.6	0	0	0	0	112.7	L425 R427 T465 Y526	L425-T467 PolarHBondContact O-N 3.35Å; L425-T467 PolarHBondContact O-OG1 3.4Å; R427-T467 HydrophobicContact CB-CG2 3.89Å; R427-T467 HydrophobicContact CG-CG2 4.19Å; T465-T467 PolarHBondContact O-N 3.35Å; T467-Y526 PolarHBondContact O-N 2.81Å
468	A	90.4	Very high	81.1	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	168.6	166.7	0	0	0	0	0	110.3	L425 E509 W523 A524 E525	L425-A468 HydrophobicContact CB-CB 4.26Å; L425-A468 HydrophobicContact CD2-CB 4.47Å; L425-A468 PolarHBondContact N-O 3.25Å; A468-E509 HydrophobicContact CB-CG 4.31Å; A468-W523 HydrophobicContact CB-CH2 3.63Å; A468-W523 HydrophobicContact CB-CZ2 3.44Å; A468-W523 VanDerWaalsContact CB-CZ2 3.44Å; A468-A524 CarbonylContact C-O 3.54Å; A468-A524 VanDerWaalsContact CA-O 3.24Å; A468-A524 WeakPolarHBondContact CA-O 3.42Å; A468-A524 WeakPolarHBondContact CB-O 3.5Å; A468-E525 HydrophobicContact CB-CB 3.72Å
469	F	91.3	Very high	82.4	Confident	9 Å²	9	46 Å²	46	4%	0.039	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	153.6	166.3	62.9	-91.2	0	0	0	111.7	Y422 I423 A524 F533 F711	Y422-F469 AromaticContact CD1-CD2 3.96Å; Y422-F469 HydrophobicContact CD1-CD2 3.96Å; Y422-F469 HydrophobicContact CD1-CE2 4.08Å; Y422-F469 HydrophobicContact CE1-CE2 4.36Å; I423-F469 VanDerWaalsContact O-CA 3.31Å; I423-F469 WeakPolarHBondContact O-CA 3.35Å; F469-A524 HydrophobicContact CD1-CB 4.42Å; F469-A524 HydrophobicContact CE1-CB 3.82Å; F469-A524 HydrophobicContact CE2-CB 4.14Å; F469-A524 HydrophobicContact CZ-CB 3.67Å; F469-A524 PolarHBondContact N-O 2.9Å; F469-A524 PolarHBondContact O-N 2.97Å; F469-F533 AromaticContact CD1-CD1 3.93Å; F469-F533 HydrophobicContact CD1-CD1 3.93Å; F469-F533 HydrophobicContact CD1-CE1 4.28Å; F469-F533 HydrophobicContact CE1-CB 4.13Å; F469-F533 AromaticContact CE1-CD1 3.84Å; F469-F533 HydrophobicContact CE1-CD1 3.84Å; F469-F533 HydrophobicContact CE1-CG 4.12Å; F469-F711 HydrophobicContact CD1-CE1 4.28Å; F469-F711 HydrophobicContact CD1-CE2 4.47Å; F469-F711 HydrophobicContact CD1-CZ 4.2Å; F469-F711 AromaticContact CE1-CD1 3.5Å; F469-F711 HydrophobicContact CE1-CD1 3.5Å; F469-F711 VanDerWaalsContact CE1-CD1 3.5Å; F469-F711 HydrophobicContact CE1-CD2 4.24Å; F469-F711 AromaticContact CE1-CE1 3.44Å; F469-F711 HydrophobicContact CE1-CE1 3.44Å; F469-F711 VanDerWaalsContact CE1-CE1 3.44Å; F469-F711 HydrophobicContact CE1-CE2 4.19Å; F469-F711 AromaticContact CE1-CG 3.9Å; F469-F711 HydrophobicContact CE1-CG 3.9Å; F469-F711 AromaticContact CE1-CZ 3.78Å; F469-F711 HydrophobicContact CE1-CZ 3.78Å; F469-F711 HydrophobicContact CZ-CB 4.08Å; F469-F711 AromaticContact CZ-CD1 3.66Å; F469-F711 HydrophobicContact CZ-CD1 3.66Å; F469-F711 HydrophobicContact CZ-CD2 4.4Å; F469-F711 HydrophobicContact CZ-CE1 4.11Å; F469-F711 AromaticContact CZ-CG 3.81Å; F469-F711 HydrophobicContact CZ-CG 3.81Å
470	A	90.5	Very high	83.7	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	135.7	161	0	0	0	0	0	108.9	Y422 I423 F481 P522 W523	Y422-A470 CarbonylContact C-O 3.59Å; Y422-A470 WeakPolarHBondContact CA-O 3.34Å; I423-A470 PolarHBondContact N-O 3.3Å; I423-A470 PolarHBondContact O-N 3.4Å; A470-F481 HydrophobicContact CB-CD1 3.86Å; A470-F481 HydrophobicContact CB-CE1 3.4Å; A470-F481 VanDerWaalsContact CB-CE1 3.4Å; A470-F481 HydrophobicContact CB-CZ 3.82Å; A470-P522 WeakPolarHBondContact CA-O 3.39Å; A470-W523 HydrophobicContact CB-CE3 4.03Å; A470-W523 HydrophobicContact CB-CZ3 4.32Å
471	G	86.9	Confident	85.1	Confident	2 Å²	2	37.2 Å²	37.2	2%	0.021	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	143.5	157.1	-176.7	0	0	0	0	0	113.2	P522	G471-P522 PolarHBondContact N-O 3.27Å
472	P	87.8	Confident	86.4	Confident	23 Å²	23	37.2 Å²	37.2	15%	0.149	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-75	138.7	8.5	28.3	-35.2	0	0	0	113.5	R420 Y422 S715	R420-P472 HydrophobicContact CB-CB 4.14Å; R420-P472 HydrophobicContact CG-CB 4.14Å; Y422-P472 HydrophobicContact CE1-CB 4.12Å; Y422-P472 HydrophobicContact CE2-CB 4.39Å; P472-S715 VanDerWaalsContact CD-OG 3.29Å; P472-S715 WeakPolarHBondContact CD-OG 3.45Å
473	L	86.4	Confident	87.4	Confident	14 Å²	14	41 Å²	41	7%	0.073	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	153.1	172	-67.1	174.5	0	0	0	108.6	C421 I423 K477 A478 F481 H521	C421-L473 WeakPolarHBondContact CA-O 3.31Å; C421-L473 WeakPolarHBondContact CB-O 3.39Å; C421-L473 PolarHBondContact N-O 2.66Å; C421-L473 PolarHBondContact O-N 3.02Å; I423-L473 HydrophobicContact CD1-CD1 4.22Å; L473-K477 HydrophobicContact CB-CB 4.29Å; L473-K477 HydrophobicContact CD2-CB 4.49Å; L473-A478 HydrophobicContact CB-CB 3.99Å; L473-F481 HydrophobicContact CD1-CB 4.15Å; L473-F481 HydrophobicContact CD1-CG 4.38Å; L473-H521 HydrophobicContact CD1-CB 4.48Å; L473-H521 HydrophobicContact CD2-CB 3.88Å; L473-H521 VanDerWaalsContact CD2-CD2 3.46Å; L473-H521 WeakPolarHBondContact CD2-CD2 3.46Å; L473-H521 VanDerWaalsContact CD2-CG 3.48Å
474	S	86.4	Confident	88.4	Confident	9 Å²	9	35 Å²	35	6%	0.063	19%	0.185	C	C	.	.			trans	-70.2	159.5	169.1	68.6	0	0	0	0	111.1	E418 S476 K477 A478	E418-S474 WeakPolarHBondContact OE2-CB 3.29Å; E418-S474 PolarHBondContact OE2-OG 3.37Å; S474-S476 VanDerWaalsContact C-N 3.26Å; S474-S476 PolarHBondContact O-N 2.92Å; S474-S476 PolarHBondContact OG-OG 3.49Å; S474-K477 PolarHBondContact O-N 3.32Å; S474-A478 WeakPolarHBondContact O-CB 3.27Å; S474-A478 PolarHBondContact O-N 3.09Å
475	P	87.3	Confident	88.9	Confident	49 Å²	49	34 Å²	34	32%	0.318	18%	0.179	S	C	.	.	H	α-helix	trans	-59	-37	-169.6	-26.7	36.8	0	0	0	113.4	D419 D479	D419-P475 HydrophobicContact CB-CG 3.98Å; D419-P475 WeakPolarHBondContact O-CD 3.4Å; P475-D479 WeakPolarHBondContact O-CB 3.44Å; P475-D479 PolarHBondContact O-N 3.28Å; P475-D479 VanDerWaalsContact O-N 3.07Å
476	S	87.6	Confident	89.1	Confident	65 Å²	65	36 Å²	36	46%	0.455	18%	0.184	S	C	.	.	H	α-helix	trans	-62.7	-55.5	175.8	51.3	0	0	0	0	112.2	S474 A478 D479 D480	S474-S476 VanDerWaalsContact C-N 3.26Å; S474-S476 PolarHBondContact O-N 2.92Å; S474-S476 PolarHBondContact OG-OG 3.49Å; S476-A478 VanDerWaalsContact C-N 3.29Å; S476-A478 PolarHBondContact O-N 3.3Å; S476-D479 PolarHBondContact O-N 2.76Å; S476-D480 PolarHBondContact O-N 3.32Å
477	K	89.8	Confident	89.1	Confident	76 Å²	76	39.7 Å²	39.7	33%	0.33	21%	0.206	S	C	.	.	H	α-helix	trans	-59.7	-40	177.5	-63.3	176.5	-169.2	174	0	111.7	D415 L473 S474 D479 D480 F481	D415-K477 IonicContact OD2-NZ 3.52Å; D415-K477 PolarHBondContact OD2-NZ 3.41Å; L473-K477 HydrophobicContact CB-CB 4.29Å; L473-K477 HydrophobicContact CD2-CB 4.49Å; S474-K477 PolarHBondContact O-N 3.32Å; K477-D479 VanDerWaalsContact C-N 3.35Å; K477-D479 PolarHBondContact O-N 3.36Å; K477-D480 PolarHBondContact O-N 2.79Å; K477-F481 WeakPolarHBondContact O-CB 3.35Å; K477-F481 PolarHBondContact O-N 3.37Å
478	A	89.8	Confident	88.8	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-62.8	-43.7	178.5	0	0	0	0	0	111.5	C421 I423 L473 S474 S476 F481 R482	C421-A478 HydrophobicContact CB-CB 3.5Å; I423-A478 HydrophobicContact CD1-CB 4.06Å; I423-A478 WeakPolarHBondContact CD1-O 3.31Å; I423-A478 HydrophobicContact CG1-CB 4.29Å; L473-A478 HydrophobicContact CB-CB 3.99Å; S474-A478 WeakPolarHBondContact O-CB 3.27Å; S474-A478 PolarHBondContact O-N 3.09Å; S476-A478 VanDerWaalsContact C-N 3.29Å; S476-A478 PolarHBondContact O-N 3.3Å; A478-F481 PolarHBondContact O-N 3.01Å; A478-R482 WeakPolarHBondContact O-CB 3.43Å; A478-R482 PolarHBondContact O-N 3.49Å
479	D	89.8	Confident	88.3	Confident	54 Å²	54	43.1 Å²	43.1	29%	0.289	23%	0.229	S	C	.	.	H	α-helix	trans	-68.7	-35.5	179.2	-119.6	41.4	0	0	0	112.5	S440 P475 S476 K477 R483	S440-D479 PolarHBondContact OG-OD1 3.45Å; P475-D479 WeakPolarHBondContact O-CB 3.44Å; P475-D479 PolarHBondContact O-N 3.28Å; P475-D479 VanDerWaalsContact O-N 3.07Å; S476-D479 PolarHBondContact O-N 2.76Å; K477-D479 VanDerWaalsContact C-N 3.35Å; K477-D479 PolarHBondContact O-N 3.36Å; D479-R483 WeakPolarHBondContact O-CB 3.32Å; D479-R483 VanDerWaalsContact O-CG 3.3Å; D479-R483 WeakPolarHBondContact O-CG 3.24Å; D479-R483 PolarHBondContact O-N 3Å; D479-R483 IonicContact OD2-NH1 3.19Å; D479-R483 PolarHBondContact OD2-NH1 2.85Å
480	D	90.6	Very high	87.8	Confident	82 Å²	82	54 Å²	54	44%	0.439	27%	0.27	S	S	.	.	H	α-helix	trans	-71.7	-39.3	173.2	-82.1	-48.9	0	0	0	113.7	S476 K477 R482 R483 S484	S476-D480 PolarHBondContact O-N 3.32Å; K477-D480 PolarHBondContact O-N 2.79Å; D480-R482 VanDerWaalsContact C-N 3.33Å; D480-R482 PolarHBondContact O-N 3.2Å; D480-R483 PolarHBondContact O-N 3.09Å; D480-R483 IonicContact OD1-CZ 3.98Å; D480-R483 IonicContact OD1-NE 2.7Å; D480-R483 PolarHBondContact OD1-NE 2.8Å; D480-R483 IonicContact OD1-NH2 3.68Å; D480-R483 PolarHBondContact OD1-NH2 3.45Å; D480-R483 IonicContact OD2-NH2 2.73Å; D480-R483 PolarHBondContact OD2-NH2 2.87Å; D480-R483 VanDerWaalsContact OD2-NH2 3.09Å; D480-S484 WeakPolarHBondContact O-CB 3.19Å; D480-S484 PolarHBondContact O-N 3.32Å; D480-S484 PolarHBondContact O-OG 3.14Å
481	F	92.2	Very high	87.4	Confident	1 Å²	1	62.7 Å²	62.7	0%	0.004	31%	0.311	C	S	.	.	H	α-helix	trans	-59.7	-46.9	171.1	-173.4	-92	0	0	0	110.6	I423 A470 L473 K477 A478 R483 S484 W485 L515 A516 L519 H521	I423-F481 HydrophobicContact CD1-CB 3.86Å; I423-F481 HydrophobicContact CD1-CD1 3.51Å; I423-F481 HydrophobicContact CD1-CG 4.07Å; A470-F481 HydrophobicContact CB-CD1 3.86Å; A470-F481 HydrophobicContact CB-CE1 3.4Å; A470-F481 VanDerWaalsContact CB-CE1 3.4Å; A470-F481 HydrophobicContact CB-CZ 3.82Å; L473-F481 HydrophobicContact CD1-CB 4.15Å; L473-F481 HydrophobicContact CD1-CG 4.38Å; K477-F481 WeakPolarHBondContact O-CB 3.35Å; K477-F481 PolarHBondContact O-N 3.37Å; A478-F481 PolarHBondContact O-N 3.01Å; F481-R483 PolarHBondContact O-N 3.13Å; F481-S484 PolarHBondContact O-N 3.02Å; F481-W485 HydrophobicContact CD1-CE3 4.09Å; F481-W485 HydrophobicContact CE1-CB 4.43Å; F481-W485 HydrophobicContact CE1-CD2 4.05Å; F481-W485 AromaticContact CE1-CE3 3.48Å; F481-W485 HydrophobicContact CE1-CE3 3.48Å; F481-W485 VanDerWaalsContact CE1-CE3 3.48Å; F481-W485 HydrophobicContact CE1-CG 4.5Å; F481-W485 AromaticContact CE1-CZ3 3.95Å; F481-W485 HydrophobicContact CE1-CZ3 3.95Å; F481-W485 HydrophobicContact CZ-CE3 4.47Å; F481-W485 WeakPolarHBondContact O-CB 3.4Å; F481-W485 PolarHBondContact O-N 2.78Å; F481-L515 HydrophobicContact CD2-CD2 4.23Å; F481-L515 HydrophobicContact CD2-CG 4.25Å; F481-L515 HydrophobicContact CE2-CB 4.16Å; F481-L515 HydrophobicContact CE2-CD2 3.83Å; F481-L515 HydrophobicContact CE2-CG 3.67Å; F481-L515 HydrophobicContact CZ-CB 4.4Å; F481-L515 HydrophobicContact CZ-CD2 4.05Å; F481-L515 HydrophobicContact CZ-CG 4.22Å; F481-A516 HydrophobicContact CE2-CB 3.91Å; F481-A516 HydrophobicContact CZ-CB 3.94Å; F481-L519 HydrophobicContact CD2-CD1 3.75Å; F481-L519 HydrophobicContact CE2-CD1 4.24Å; F481-H521 AromaticContact CD2-CD2 3.66Å
482	R	91.4	Very high	87.1	Confident	71 Å²	71	66.8 Å²	66.8	27%	0.268	33%	0.325	S	S	.	.	H	α-helix	trans	-63	-39.6	178.1	-177.4	178.9	177.3	-101.2	3.2	112.8	I423 I437 G438 A478 D480 K486	I423-R482 HydrophobicContact CD1-CB 4.2Å; I423-R482 HydrophobicContact CG2-CB 4.38Å; I423-R482 HydrophobicContact CG2-CG 4.43Å; I437-R482 HydrophobicContact CG2-CG 4.44Å; G438-R482 PolarHBondContact O-NE 3.39Å; G438-R482 PolarHBondContact O-NH2 3.46Å; A478-R482 WeakPolarHBondContact O-CB 3.43Å; A478-R482 PolarHBondContact O-N 3.49Å; D480-R482 VanDerWaalsContact C-N 3.33Å; D480-R482 PolarHBondContact O-N 3.2Å; R482-K486 HydrophobicContact CG-CD 4.24Å; R482-K486 WeakPolarHBondContact O-CB 3.45Å; R482-K486 WeakPolarHBondContact O-CG 3.33Å; R482-K486 PolarHBondContact O-N 3.02Å; R482-K486 VanDerWaalsContact O-N 3.14Å
483	R	90.4	Very high	86.8	Confident	113 Å²	113	66.6 Å²	66.6	43%	0.426	33%	0.326	S	S	.	.	H	α-helix	trans	-59.4	-49	171	-80.8	-177.7	-79	-85.7	11.2	110.7	D479 D480 F481 T487	D479-R483 WeakPolarHBondContact O-CB 3.32Å; D479-R483 VanDerWaalsContact O-CG 3.3Å; D479-R483 WeakPolarHBondContact O-CG 3.24Å; D479-R483 PolarHBondContact O-N 3Å; D479-R483 IonicContact OD2-NH1 3.19Å; D479-R483 PolarHBondContact OD2-NH1 2.85Å; D480-R483 PolarHBondContact O-N 3.09Å; D480-R483 IonicContact OD1-CZ 3.98Å; D480-R483 IonicContact OD1-NE 2.7Å; D480-R483 PolarHBondContact OD1-NE 2.8Å; D480-R483 IonicContact OD1-NH2 3.68Å; D480-R483 PolarHBondContact OD1-NH2 3.45Å; D480-R483 IonicContact OD2-NH2 2.73Å; D480-R483 PolarHBondContact OD2-NH2 2.87Å; D480-R483 VanDerWaalsContact OD2-NH2 3.09Å; F481-R483 PolarHBondContact O-N 3.13Å; R483-T487 CarbonylContact O-C 3.56Å; R483-T487 PolarHBondContact O-N 3.46Å; R483-T487 PolarHBondContact O-OG1 3.43Å
484	S	90.6	Very high	86.8	Confident	31 Å²	31	73.9 Å²	73.9	22%	0.217	36%	0.36	C	S	.	.	H	α-helix	trans	-67.7	-35.9	-176.9	-57.4	0	0	0	0	113.1	D480 F481 P488	D480-S484 WeakPolarHBondContact O-CB 3.19Å; D480-S484 PolarHBondContact O-N 3.32Å; D480-S484 PolarHBondContact O-OG 3.14Å; F481-S484 PolarHBondContact O-N 3.02Å; S484-P488 WeakPolarHBondContact O-CA 3.22Å; S484-P488 WeakPolarHBondContact O-CB 3.44Å
485	W	90.6	Very high	86.7	Confident	13 Å²	13	78.7 Å²	78.7	5%	0.049	38%	0.38	C	S	.	.	H	α-helix	trans	-75.5	-39	178.9	-167.3	10.9	0	0	0	112.6	I423 L425 I437 F481 A508 L515 W523	I423-W485 HydrophobicContact CG2-CE3 4.09Å; I423-W485 HydrophobicContact CG2-CZ3 3.98Å; L425-W485 HydrophobicContact CB-CH2 3.81Å; L425-W485 HydrophobicContact CB-CZ2 4.2Å; L425-W485 HydrophobicContact CD1-CH2 4.13Å; L425-W485 HydrophobicContact CD1-CZ2 3.82Å; L425-W485 HydrophobicContact CD2-CZ2 4.14Å; L425-W485 HydrophobicContact CG-CH2 4.39Å; L425-W485 HydrophobicContact CG-CZ2 4.29Å; I437-W485 HydrophobicContact CB-CE3 4.46Å; I437-W485 HydrophobicContact CD1-CB 4.01Å; I437-W485 HydrophobicContact CD1-CD2 3.64Å; I437-W485 HydrophobicContact CD1-CE3 4.31Å; I437-W485 HydrophobicContact CD1-CG 3.44Å; I437-W485 VanDerWaalsContact CD1-CG 3.44Å; I437-W485 HydrophobicContact CG1-CD2 3.73Å; I437-W485 HydrophobicContact CG1-CE3 4.03Å; I437-W485 HydrophobicContact CG1-CG 4.11Å; I437-W485 HydrophobicContact CG1-CZ2 4.31Å; I437-W485 HydrophobicContact CG1-CZ3 4.46Å; I437-W485 HydrophobicContact CG2-CD2 4.1Å; I437-W485 HydrophobicContact CG2-CE3 3.61Å; I437-W485 HydrophobicContact CG2-CZ3 4.1Å; F481-W485 HydrophobicContact CD1-CE3 4.09Å; F481-W485 HydrophobicContact CE1-CB 4.43Å; F481-W485 HydrophobicContact CE1-CD2 4.05Å; F481-W485 AromaticContact CE1-CE3 3.48Å; F481-W485 HydrophobicContact CE1-CE3 3.48Å; F481-W485 VanDerWaalsContact CE1-CE3 3.48Å; F481-W485 HydrophobicContact CE1-CG 4.5Å; F481-W485 AromaticContact CE1-CZ3 3.95Å; F481-W485 HydrophobicContact CE1-CZ3 3.95Å; F481-W485 HydrophobicContact CZ-CE3 4.47Å; F481-W485 WeakPolarHBondContact O-CB 3.4Å; F481-W485 PolarHBondContact O-N 2.78Å; W485-A508 PolarHBondContact NE1-O 3.05Å; W485-L515 HydrophobicContact CB-CD2 3.86Å; W485-L515 HydrophobicContact CG-CD2 4.47Å; W485-W523 AromaticContact CH2-CH2 3.56Å; W485-W523 HydrophobicContact CH2-CH2 3.56Å; W485-W523 AromaticContact CH2-CZ3 3.54Å; W485-W523 HydrophobicContact CH2-CZ3 3.54Å; W485-W523 AromaticContact CZ2-CH2 3.63Å; W485-W523 HydrophobicContact CZ2-CH2 3.63Å; W485-W523 AromaticContact CZ2-CZ3 3.91Å; W485-W523 HydrophobicContact CZ2-CZ3 3.91Å; W485-W523 HydrophobicContact CZ3-CZ3 4.12Å
486	K	87.6	Confident	86.6	Confident	91 Å²	91	76.7 Å²	76.7	40%	0.396	37%	0.366	S	S	.	.	H	α-helix	trans	-75.3	-36.9	177	-72.8	179.4	-178.1	-107.7	0	113.2	I437 R482	I437-K486 HydrophobicContact CB-CG 3.98Å; I437-K486 HydrophobicContact CD1-CB 4.49Å; I437-K486 HydrophobicContact CD1-CG 3.78Å; I437-K486 HydrophobicContact CG2-CG 4.05Å; I437-K486 VanDerWaalsContact O-CE 3.27Å; I437-K486 WeakPolarHBondContact O-CE 3.36Å; I437-K486 PolarHBondContact O-NZ 3.44Å; R482-K486 HydrophobicContact CG-CD 4.24Å; R482-K486 WeakPolarHBondContact O-CB 3.45Å; R482-K486 WeakPolarHBondContact O-CG 3.33Å; R482-K486 PolarHBondContact O-N 3.02Å; R482-K486 VanDerWaalsContact O-N 3.14Å
487	T	85.5	Confident	86.4	Confident	106 Å²	106	78.4 Å²	78.4	65%	0.65	37%	0.367	S	S	*	.	S	Bend	trans	-141.9	77.5	-172.5	38.3	0	0	0	0	109.2	R483	R483-T487 CarbonylContact O-C 3.56Å; R483-T487 PolarHBondContact O-N 3.46Å; R483-T487 PolarHBondContact O-OG1 3.43Å
488	P	82.2	Confident	86.2	Confident	29 Å²	29	81 Å²	81	19%	0.188	38%	0.38	C	S	.	.			trans	-64.7	152.8	-175	24.4	-34.7	0	0	0	113.1	S484 A493 F496	S484-P488 WeakPolarHBondContact O-CA 3.22Å; S484-P488 WeakPolarHBondContact O-CB 3.44Å; P488-A493 HydrophobicContact CG-CB 4.35Å; P488-F496 HydrophobicContact CB-CD2 3.47Å; P488-F496 VanDerWaalsContact CB-CD2 3.47Å; P488-F496 HydrophobicContact CB-CE2 3.79Å; P488-F496 HydrophobicContact CG-CD2 3.82Å
489	P	80.4	Confident	85.9	Confident	68 Å²	68	81.3 Å²	81.3	44%	0.442	38%	0.381	S	S	.	.			trans	-52.4	144.7	172.7	-26.7	35.2	0	0	0	112.3	E491 R492 A493	P489-E491 PolarHBondContact O-N 3.41Å; P489-E491 VanDerWaalsContact O-N 3.12Å; P489-R492 PolarHBondContact O-N 2.75Å; P489-A493 PolarHBondContact O-N 3Å
490	R	79.8	Confident	85.7	Confident	236 Å²	236	82.5 Å²	82.5	89%	0.891	39%	0.387	S	S	*	.	H	α-helix	trans	-53.6	-39.3	-171.4	-69.6	-174.7	176	-164.1	-1.2	113.7	R492 A493	R490-R492 PolarHBondContact O-N 2.92Å; R490-A493 PolarHBondContact O-N 3.25Å
491	E	81.9	Confident	85.3	Confident	184 Å²	184	86.7 Å²	86.7	86%	0.86	40%	0.401	S	S	*	.	H	α-helix	trans	-58.9	-25.1	177.7	-66.8	157.6	-155	0	0	113.6	P489	P489-E491 PolarHBondContact O-N 3.41Å; P489-E491 VanDerWaalsContact O-N 3.12Å
492	R	80.8	Confident	84.8	Confident	87 Å²	87	90 Å²	90	33%	0.328	43%	0.425	S	S	.	.	H	α-helix	trans	-113.1	-14.2	-176.4	-69.2	166.1	167.3	-96.6	-4.2	113.4	P489 R490 E494 F495 F496 E518	P489-R492 PolarHBondContact O-N 2.75Å; R490-R492 PolarHBondContact O-N 2.92Å; R492-E494 VanDerWaalsContact C-N 3.28Å; R492-E494 PolarHBondContact O-N 2.85Å; R492-F495 PolarHBondContact O-N 2.8Å; R492-F496 HydrophobicContact CB-CD2 4.01Å; R492-F496 HydrophobicContact CB-CE2 3.74Å; R492-F496 WeakPolarHBondContact O-CD2 3.41Å; R492-F496 PolarHBondContact O-N 3.03Å; R492-E518 VanDerWaalsContact CZ-CD 3.46Å; R492-E518 IonicContact CZ-OE1 3.19Å; R492-E518 IonicContact CZ-OE2 3.66Å; R492-E518 IonicContact NE-OE1 2.65Å; R492-E518 IonicContact NH1-OE1 3.55Å; R492-E518 PolarHBondContact NH1-OE1 3.45Å; R492-E518 IonicContact NH1-OE2 2.8Å; R492-E518 PolarHBondContact NH1-OE2 3.47Å; R492-E518 IonicContact NH2-OE1 2.8Å; R492-E518 PolarHBondContact NH2-OE1 3.05Å; R492-E518 IonicContact NH2-OE2 2.72Å; R492-E518 PolarHBondContact NH2-OE2 2.85Å
493	A	82.6	Confident	84.3	Confident	20 Å²	20	87.7 Å²	87.7	17%	0.165	42%	0.418	C	S	.	.	H	α-helix	trans	-56.5	-40.7	179.4	0	0	0	0	0	112	P488 P489 R490 H497	P488-A493 HydrophobicContact CG-CB 4.35Å; P489-A493 PolarHBondContact O-N 3Å; R490-A493 PolarHBondContact O-N 3.25Å; A493-H497 WeakPolarHBondContact O-CB 3.4Å; A493-H497 PolarHBondContact O-CD2 3.26Å; A493-H497 PolarHBondContact O-N 2.72Å
494	E	85.1	Confident	83.8	Confident	166 Å²	166	86.4 Å²	86.4	78%	0.776	42%	0.424	S	S	*	.	H	α-helix	trans	-64.9	-41.8	178	-61.4	-166.9	168.5	0	0	112.7	R492 H497 H498	R492-E494 VanDerWaalsContact C-N 3.28Å; R492-E494 PolarHBondContact O-N 2.85Å; E494-H497 PolarHBondContact O-N 3.33Å; E494-H498 PolarHBondContact O-N 3.06Å
495	F	84.7	Confident	83.2	Confident	111 Å²	111	87.8 Å²	87.8	49%	0.487	43%	0.429	S	S	.	.	H	α-helix	trans	-64.4	-49.4	177.2	176.1	-105.7	0	0	0	111.9	R492 H497 H498 I499	R492-F495 PolarHBondContact O-N 2.8Å; F495-H497 PolarHBondContact O-N 3.06Å; F495-H498 WeakPolarHBondContact O-CB 3.43Å; F495-H498 PolarHBondContact O-N 3.08Å; F495-H498 VanDerWaalsContact O-N 3.08Å; F495-I499 HydrophobicContact CD1-CD1 4.09Å; F495-I499 HydrophobicContact CE1-CD1 3.55Å; F495-I499 HydrophobicContact CE2-CD1 4.39Å; F495-I499 HydrophobicContact CZ-CD1 3.72Å; F495-I499 PolarHBondContact O-N 2.68Å
496	F	84.6	Confident	82.9	Confident	6 Å²	6	89 Å²	89	3%	0.026	43%	0.434	C	S	.	.	H	α-helix	trans	-68.1	-34.6	177.3	-61.7	-44.4	0	0	0	112.3	P488 R492 H498 I499 L500 V511	P488-F496 HydrophobicContact CB-CD2 3.47Å; P488-F496 VanDerWaalsContact CB-CD2 3.47Å; P488-F496 HydrophobicContact CB-CE2 3.79Å; P488-F496 HydrophobicContact CG-CD2 3.82Å; R492-F496 HydrophobicContact CB-CD2 4.01Å; R492-F496 HydrophobicContact CB-CE2 3.74Å; R492-F496 WeakPolarHBondContact O-CD2 3.41Å; R492-F496 PolarHBondContact O-N 3.03Å; F496-H498 VanDerWaalsContact C-N 3.27Å; F496-H498 PolarHBondContact O-N 3.45Å; F496-I499 HydrophobicContact CD1-CD1 4.36Å; F496-I499 PolarHBondContact O-N 3.35Å; F496-L500 WeakPolarHBondContact O-CB 3.13Å; F496-L500 VanDerWaalsContact O-CG 3.29Å; F496-L500 WeakPolarHBondContact O-CG 3.49Å; F496-L500 PolarHBondContact O-N 2.93Å; F496-V511 HydrophobicContact CB-CG1 4.18Å; F496-V511 HydrophobicContact CB-CG2 3.96Å; F496-V511 HydrophobicContact CD1-CB 4.22Å; F496-V511 HydrophobicContact CD1-CG1 3.73Å; F496-V511 HydrophobicContact CD1-CG2 3.79Å; F496-V511 HydrophobicContact CD2-CG1 4.39Å; F496-V511 HydrophobicContact CE1-CG1 4.09Å; F496-V511 HydrophobicContact CG-CG1 3.87Å; F496-V511 HydrophobicContact CG-CG2 4.18Å
497	H	83.3	Confident	82.8	Confident	101 Å²	101	84.7 Å²	84.7	47%	0.468	42%	0.415	S	S	.	.	H	α-helix	trans	-67.1	-24.4	170.3	-74.2	-38.4	0	0	0	113.3	A493 E494 F495 K501	A493-H497 WeakPolarHBondContact O-CB 3.4Å; A493-H497 PolarHBondContact O-CD2 3.26Å; A493-H497 PolarHBondContact O-N 2.72Å; E494-H497 PolarHBondContact O-N 3.33Å; F495-H497 PolarHBondContact O-N 3.06Å; H497-K501 WeakPolarHBondContact O-CD 3.11Å; H497-K501 WeakPolarHBondContact O-CG 3.46Å; H497-K501 PolarHBondContact O-N 2.91Å
498	H	85.8	Confident	82.9	Confident	132 Å²	132	80 Å²	80	61%	0.611	39%	0.387	S	S	*	.	H	α-helix	trans	-71.7	-49	169.1	-175.6	87	0	0	0	110.5	E494 F495 F496 L500 K501 S502	E494-H498 PolarHBondContact O-N 3.06Å; F495-H498 WeakPolarHBondContact O-CB 3.43Å; F495-H498 PolarHBondContact O-N 3.08Å; F495-H498 VanDerWaalsContact O-N 3.08Å; F496-H498 VanDerWaalsContact C-N 3.27Å; F496-H498 PolarHBondContact O-N 3.45Å; H498-L500 PolarHBondContact O-N 2.73Å; H498-K501 PolarHBondContact O-N 3Å; H498-K501 VanDerWaalsContact O-N 3.07Å; H498-S502 WeakPolarHBondContact O-CB 3.46Å; H498-S502 PolarHBondContact O-N 2.98Å; H498-S502 PolarHBondContact O-OG 2.9Å
499	I	84.8	Confident	83.4	Confident	6 Å²	6	78.9 Å²	78.9	3%	0.031	38%	0.379	C	S	.	.	H	α-helix	trans	-54.9	-52.5	177.5	-68.8	171.6	0	0	0	111	F495 F496 K501 S502 D503 G507 R510 V511	F495-I499 HydrophobicContact CD1-CD1 4.09Å; F495-I499 HydrophobicContact CE1-CD1 3.55Å; F495-I499 HydrophobicContact CE2-CD1 4.39Å; F495-I499 HydrophobicContact CZ-CD1 3.72Å; F495-I499 PolarHBondContact O-N 2.68Å; F496-I499 HydrophobicContact CD1-CD1 4.36Å; F496-I499 PolarHBondContact O-N 3.35Å; I499-K501 PolarHBondContact O-N 2.88Å; I499-K501 VanDerWaalsContact O-N 3.11Å; I499-S502 WeakPolarHBondContact CA-OG 3.48Å; I499-S502 PolarHBondContact O-N 3.06Å; I499-S502 PolarHBondContact O-OG 3.3Å; I499-D503 PolarHBondContact O-N 3.41Å; I499-G507 WeakPolarHBondContact CG2-O 3.05Å; I499-R510 HydrophobicContact CG2-CB 4.1Å; I499-R510 HydrophobicContact CG2-CG 4.06Å; I499-V511 HydrophobicContact CB-CG2 4.05Å; I499-V511 HydrophobicContact CD1-CG2 4.47Å; I499-V511 HydrophobicContact CG2-CG2 3.81Å
500	L	84.6	Confident	83.8	Confident	78 Å²	78	79.7 Å²	79.7	41%	0.408	37%	0.374	S	S	.	.	H	α-helix	trans	-62	-17.9	179.7	-69.3	167.1	0	0	0	114.5	F496 H498 A508 V511	F496-L500 WeakPolarHBondContact O-CB 3.13Å; F496-L500 VanDerWaalsContact O-CG 3.29Å; F496-L500 WeakPolarHBondContact O-CG 3.49Å; F496-L500 PolarHBondContact O-N 2.93Å; H498-L500 PolarHBondContact O-N 2.73Å; L500-A508 HydrophobicContact CD2-CB 4.09Å; L500-V511 HydrophobicContact CD2-CG2 4.42Å; L500-V511 HydrophobicContact CG-CG2 4.14Å
501	K	82.8	Confident	84.3	Confident	170 Å²	170	68.7 Å²	68.7	74%	0.739	33%	0.333	S	S	*	.	H	α-helix	trans	-94.1	-32.1	172.7	-71.1	169.6	-168.2	168.4	0	112.6	H497 H498 I499	H497-K501 WeakPolarHBondContact O-CD 3.11Å; H497-K501 WeakPolarHBondContact O-CG 3.46Å; H497-K501 PolarHBondContact O-N 2.91Å; H498-K501 PolarHBondContact O-N 3Å; H498-K501 VanDerWaalsContact O-N 3.07Å; I499-K501 PolarHBondContact O-N 2.88Å; I499-K501 VanDerWaalsContact O-N 3.11Å
502	S	82	Confident	84.7	Confident	71 Å²	71	60 Å²	60	50%	0.497	29%	0.292	S	S	.	.	H	α-helix	trans	-73	-30.6	179.5	68.6	0	0	0	0	112.7	H498 I499	H498-S502 WeakPolarHBondContact O-CB 3.46Å; H498-S502 PolarHBondContact O-N 2.98Å; H498-S502 PolarHBondContact O-OG 2.9Å; I499-S502 WeakPolarHBondContact CA-OG 3.48Å; I499-S502 PolarHBondContact O-N 3.06Å; I499-S502 PolarHBondContact O-OG 3.3Å
503	D	81.2	Confident	85.2	Confident	23 Å²	23	56.1 Å²	56.1	12%	0.123	28%	0.277	C	S	.	.			trans	-140	101.4	-179.6	-178.8	17.9	0	0	0	111.5	I499 D505 R506 G507 K857	I499-D503 PolarHBondContact O-N 3.41Å; D503-D505 VanDerWaalsContact C-N 3.29Å; D503-D505 PolarHBondContact OD1-N 2.83Å; D503-R506 PolarHBondContact OD1-N 3.5Å; D503-R506 VanDerWaalsContact OD2-C 3.26Å; D503-R506 VanDerWaalsContact OD2-CA 3.29Å; D503-R506 WeakPolarHBondContact OD2-CA 3.47Å; D503-R506 VanDerWaalsContact OD2-CB 3.31Å; D503-R506 WeakPolarHBondContact OD2-CB 3.1Å; D503-R506 PolarHBondContact OD2-N 3.37Å; D503-R506 VanDerWaalsContact OD2-N 3.09Å; D503-G507 WeakPolarHBondContact O-CA 3.15Å; D503-G507 PolarHBondContact O-N 3.34Å; D503-G507 PolarHBondContact OD2-N 3.29Å; D503-K857 IonicContact OD1-NZ 2.6Å; D503-K857 PolarHBondContact OD1-NZ 2.88Å
504	P	78.3	Confident	85.6	Confident	86 Å²	86	56.5 Å²	56.5	56%	0.558	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-23.2	174.9	30	-34.5	0	0	0	112.8	R427	R427-P504 PolarHBondContact NH1-O 2.93Å; R427-P504 PolarHBondContact NH2-O 3.26Å
505	D	78.3	Confident	85.9	Confident	60 Å²	60	49 Å²	49	32%	0.321	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-37.3	-168.3	-56.4	-48	0	0	0	112.8	R427 D503 K857	R427-D505 PolarHBondContact NE-O 3.35Å; R427-D505 PolarHBondContact NH1-O 3.19Å; R427-D505 PolarHBondContact NH2-O 3.26Å; D503-D505 VanDerWaalsContact C-N 3.29Å; D503-D505 PolarHBondContact OD1-N 2.83Å; D505-K857 IonicContact OD2-NZ 3.17Å; D505-K857 PolarHBondContact OD2-NZ 3.02Å
506	R	84.8	Confident	86.2	Confident	39 Å²	39	43.7 Å²	43.7	15%	0.147	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.7	11.9	172.2	-75.4	-158.6	-172.8	-110.6	-10.2	115.3	D503 A508 E509 R510 E525 Y526 W527 E861	D503-R506 PolarHBondContact OD1-N 3.5Å; D503-R506 VanDerWaalsContact OD2-C 3.26Å; D503-R506 VanDerWaalsContact OD2-CA 3.29Å; D503-R506 WeakPolarHBondContact OD2-CA 3.47Å; D503-R506 VanDerWaalsContact OD2-CB 3.31Å; D503-R506 WeakPolarHBondContact OD2-CB 3.1Å; D503-R506 PolarHBondContact OD2-N 3.37Å; D503-R506 VanDerWaalsContact OD2-N 3.09Å; R506-A508 VanDerWaalsContact C-N 3.32Å; R506-A508 PolarHBondContact O-N 3.07Å; R506-E509 VanDerWaalsContact C-OE2 3.27Å; R506-E509 VanDerWaalsContact CA-OE2 3.27Å; R506-E509 WeakPolarHBondContact CA-OE2 3.25Å; R506-E509 HydrophobicContact CB-CB 4.48Å; R506-E509 WeakPolarHBondContact O-CB 3.31Å; R506-E509 PolarHBondContact O-N 3.48Å; R506-R510 WeakPolarHBondContact O-CB 3.3Å; R506-R510 PolarHBondContact O-N 3.46Å; R506-E525 IonicContact NH1-OE2 2.75Å; R506-E525 PolarHBondContact NH1-OE2 3.07Å; R506-E525 VanDerWaalsContact NH1-OE2 3.09Å; R506-Y526 PolarHBondContact NH1-O 2.96Å; R506-Y526 VanDerWaalsContact NH1-O 3.13Å; R506-Y526 PolarHBondContact NH2-O 3.35Å; R506-W527 VanDerWaalsContact CZ-CZ3 3.46Å; R506-E861 VanDerWaalsContact CD-OE2 3.24Å; R506-E861 WeakPolarHBondContact CD-OE2 3.49Å; R506-E861 HydrophobicContact CG-CG 4.45Å; R506-E861 IonicContact CZ-OE2 3.19Å; R506-E861 IonicContact NE-OE2 3.38Å; R506-E861 PolarHBondContact NE-OE2 3.37Å
507	G	85.9	Confident	86.4	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-61	-34	-177.7	0	0	0	0	0	114.8	I499 D503 V511	I499-G507 WeakPolarHBondContact CG2-O 3.05Å; D503-G507 WeakPolarHBondContact O-CA 3.15Å; D503-G507 PolarHBondContact O-N 3.34Å; D503-G507 PolarHBondContact OD2-N 3.29Å; G507-V511 VanDerWaalsContact O-CG2 3.3Å; G507-V511 WeakPolarHBondContact O-CG2 3.42Å; G507-V511 PolarHBondContact O-N 3.33Å
508	A	87.9	Confident	86.7	Confident	8 Å²	8	45.7 Å²	45.7	7%	0.066	23%	0.228	C	C	.	.	H	α-helix	trans	-74.9	-37.8	180	0	0	0	0	0	112.5	L425 P435 W485 L500 R506 V511 G512	L425-A508 HydrophobicContact CD1-CB 4.33Å; L425-A508 HydrophobicContact CD2-CB 4.05Å; P435-A508 HydrophobicContact CB-CB 3.96Å; P435-A508 HydrophobicContact CG-CB 3.55Å; W485-A508 PolarHBondContact NE1-O 3.05Å; L500-A508 HydrophobicContact CD2-CB 4.09Å; R506-A508 VanDerWaalsContact C-N 3.32Å; R506-A508 PolarHBondContact O-N 3.07Å; A508-V511 PolarHBondContact O-N 3.13Å; A508-G512 PolarHBondContact O-N 2.96Å
509	E	91.4	Very high	86.8	Confident	5 Å²	5	43 Å²	43	2%	0.023	22%	0.218	C	C	.	.	H	α-helix	trans	-60.6	-47.8	170.5	-65.4	73	-178.1	0	0	109.9	L425 R427 A468 R506 G512 R513 W523	L425-E509 HydrophobicContact CD2-CB 4.43Å; L425-E509 VanDerWaalsContact CD2-CD 3.41Å; L425-E509 HydrophobicContact CD2-CG 3.65Å; L425-E509 WeakPolarHBondContact CD2-OE1 3.44Å; R427-E509 WeakPolarHBondContact CD-OE1 3.44Å; R427-E509 IonicContact CZ-OE1 2.73Å; R427-E509 IonicContact CZ-OE2 2.66Å; R427-E509 IonicContact NE-OE1 3.62Å; R427-E509 PolarHBondContact NE-OE1 2.82Å; R427-E509 IonicContact NE-OE2 2.68Å; R427-E509 PolarHBondContact NE-OE2 3.42Å; R427-E509 IonicContact NH2-OE1 3.62Å; R427-E509 IonicContact NH2-OE2 2.63Å; R427-E509 PolarHBondContact NH2-OE2 3.01Å; A468-E509 HydrophobicContact CB-CG 4.31Å; R506-E509 VanDerWaalsContact C-OE2 3.27Å; R506-E509 VanDerWaalsContact CA-OE2 3.27Å; R506-E509 WeakPolarHBondContact CA-OE2 3.25Å; R506-E509 HydrophobicContact CB-CB 4.48Å; R506-E509 WeakPolarHBondContact O-CB 3.31Å; R506-E509 PolarHBondContact O-N 3.48Å; E509-G512 PolarHBondContact O-N 3.26Å; E509-R513 WeakPolarHBondContact O-CB 3.31Å; E509-R513 PolarHBondContact O-N 3.21Å; E509-W523 WeakPolarHBondContact O-CZ2 3.42Å
510	R	89.5	Confident	86.9	Confident	85 Å²	85	45.9 Å²	45.9	32%	0.321	25%	0.249	S	C	.	.	H	α-helix	trans	-61.1	-46.1	176.8	-177.8	172.6	-180	165.1	4.7	112.4	I499 R506 G512 R513 D514	I499-R510 HydrophobicContact CG2-CB 4.1Å; I499-R510 HydrophobicContact CG2-CG 4.06Å; R506-R510 WeakPolarHBondContact O-CB 3.3Å; R506-R510 PolarHBondContact O-N 3.46Å; R510-G512 VanDerWaalsContact C-N 3.3Å; R510-G512 PolarHBondContact O-N 3.12Å; R510-R513 PolarHBondContact O-N 2.81Å; R510-D514 WeakPolarHBondContact CG-OD2 3.45Å; R510-D514 IonicContact NE-OD2 2.9Å; R510-D514 WeakPolarHBondContact O-CB 3.4Å; R510-D514 PolarHBondContact O-N 2.67Å
511	V	89.8	Confident	87.2	Confident	5 Å²	5	43.7 Å²	43.7	3%	0.03	24%	0.236	C	C	.	.	H	α-helix	trans	-59.4	-42.3	174.4	170	0	0	0	0	111.2	F496 I499 L500 G507 A508 L515	F496-V511 HydrophobicContact CB-CG1 4.18Å; F496-V511 HydrophobicContact CB-CG2 3.96Å; F496-V511 HydrophobicContact CD1-CB 4.22Å; F496-V511 HydrophobicContact CD1-CG1 3.73Å; F496-V511 HydrophobicContact CD1-CG2 3.79Å; F496-V511 HydrophobicContact CD2-CG1 4.39Å; F496-V511 HydrophobicContact CE1-CG1 4.09Å; F496-V511 HydrophobicContact CG-CG1 3.87Å; F496-V511 HydrophobicContact CG-CG2 4.18Å; I499-V511 HydrophobicContact CB-CG2 4.05Å; I499-V511 HydrophobicContact CD1-CG2 4.47Å; I499-V511 HydrophobicContact CG2-CG2 3.81Å; L500-V511 HydrophobicContact CD2-CG2 4.42Å; L500-V511 HydrophobicContact CG-CG2 4.14Å; G507-V511 VanDerWaalsContact O-CG2 3.3Å; G507-V511 WeakPolarHBondContact O-CG2 3.42Å; G507-V511 PolarHBondContact O-N 3.33Å; A508-V511 PolarHBondContact O-N 3.13Å; V511-L515 VanDerWaalsContact O-CB 3.24Å; V511-L515 WeakPolarHBondContact O-CB 3.42Å; V511-L515 PolarHBondContact O-N 3.06Å
512	G	91.3	Very high	87.5	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-64.4	-48.1	177.9	0	0	0	0	0	112.8	A508 E509 R510 L515 A516 W523	A508-G512 PolarHBondContact O-N 2.96Å; E509-G512 PolarHBondContact O-N 3.26Å; R510-G512 VanDerWaalsContact C-N 3.3Å; R510-G512 PolarHBondContact O-N 3.12Å; G512-L515 PolarHBondContact O-N 3.21Å; G512-A516 VanDerWaalsContact O-CB 3.28Å; G512-A516 WeakPolarHBondContact O-CB 3.42Å; G512-A516 PolarHBondContact O-N 3.43Å; G512-W523 VanDerWaalsContact C-CZ3 3.47Å
513	R	91.3	Very high	87.9	Confident	7 Å²	7	36 Å²	36	3%	0.026	20%	0.199	C	C	.	.	H	α-helix	trans	-59.7	-49	175.8	-173.3	173.8	60.8	-121.3	0.1	112.1	E509 R510 L515 A516 H517 W523 E525 S864	E509-R513 WeakPolarHBondContact O-CB 3.31Å; E509-R513 PolarHBondContact O-N 3.21Å; R510-R513 PolarHBondContact O-N 2.81Å; R513-L515 VanDerWaalsContact C-N 3.3Å; R513-L515 PolarHBondContact O-N 3.07Å; R513-A516 PolarHBondContact O-N 3.03Å; R513-H517 PolarHBondContact O-CD2 3.18Å; R513-H517 VanDerWaalsContact O-CD2 3.23Å; R513-H517 PolarHBondContact O-N 3.14Å; R513-W523 HydrophobicContact CB-CD2 4.18Å; R513-W523 HydrophobicContact CB-CG 4.36Å; R513-W523 HydrophobicContact CB-CZ2 4.06Å; R513-W523 HydrophobicContact CG-CG 4.34Å; R513-E525 WeakPolarHBondContact CD-OE1 3.35Å; R513-E525 IonicContact CZ-OE1 3.41Å; R513-E525 IonicContact NE-OE1 2.83Å; R513-E525 IonicContact NH1-OE1 3.26Å; R513-E525 PolarHBondContact NH1-OE1 2.63Å; R513-E525 IonicContact NH1-OE2 2.72Å; R513-E525 PolarHBondContact NH1-OE2 2.88Å; R513-S864 PolarHBondContact NH2-O 3.49Å
514	D	89.8	Confident	88.4	Confident	27 Å²	27	35.3 Å²	35.3	14%	0.144	20%	0.197	C	C	.	.	H	α-helix	trans	-63.9	-37.4	-178.4	-77.3	-34.6	0	0	0	111.6	R510 E518 R867	R510-D514 WeakPolarHBondContact CG-OD2 3.45Å; R510-D514 IonicContact NE-OD2 2.9Å; R510-D514 WeakPolarHBondContact O-CB 3.4Å; R510-D514 PolarHBondContact O-N 2.67Å; D514-E518 PolarHBondContact O-N 3.48Å; D514-R867 IonicContact OD1-CZ 2.68Å; D514-R867 IonicContact OD1-NE 2.74Å; D514-R867 IonicContact OD1-NH2 2.78Å; D514-R867 PolarHBondContact OD1-NH2 2.95Å
515	L	91	Very high	89	Confident	8 Å²	8	31.2 Å²	31.2	4%	0.042	17%	0.171	C	C	.	.	H	α-helix	trans	-69.8	-39.8	172.8	-178	66.4	0	0	0	112.8	F481 W485 V511 G512 R513 E518 L519	F481-L515 HydrophobicContact CD2-CD2 4.23Å; F481-L515 HydrophobicContact CD2-CG 4.25Å; F481-L515 HydrophobicContact CE2-CB 4.16Å; F481-L515 HydrophobicContact CE2-CD2 3.83Å; F481-L515 HydrophobicContact CE2-CG 3.67Å; F481-L515 HydrophobicContact CZ-CB 4.4Å; F481-L515 HydrophobicContact CZ-CD2 4.05Å; F481-L515 HydrophobicContact CZ-CG 4.22Å; W485-L515 HydrophobicContact CB-CD2 3.86Å; W485-L515 HydrophobicContact CG-CD2 4.47Å; V511-L515 VanDerWaalsContact O-CB 3.24Å; V511-L515 WeakPolarHBondContact O-CB 3.42Å; V511-L515 PolarHBondContact O-N 3.06Å; G512-L515 PolarHBondContact O-N 3.21Å; R513-L515 VanDerWaalsContact C-N 3.3Å; R513-L515 PolarHBondContact O-N 3.07Å; L515-E518 PolarHBondContact O-N 3.25Å; L515-L519 HydrophobicContact CD1-CD1 3.87Å; L515-L519 HydrophobicContact CD1-CG 4.42Å; L515-L519 HydrophobicContact CG-CD1 4.02Å; L515-L519 WeakPolarHBondContact O-CG 3.49Å; L515-L519 PolarHBondContact O-N 3.41Å; L515-L519 VanDerWaalsContact O-N 3.12Å
516	A	91.4	Very high	89.6	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-65.9	-45.9	179.8	0	0	0	0	0	111.7	F481 G512 R513 E518 L519 G520 H521 W523	F481-A516 HydrophobicContact CE2-CB 3.91Å; F481-A516 HydrophobicContact CZ-CB 3.94Å; G512-A516 VanDerWaalsContact O-CB 3.28Å; G512-A516 WeakPolarHBondContact O-CB 3.42Å; G512-A516 PolarHBondContact O-N 3.43Å; R513-A516 PolarHBondContact O-N 3.03Å; A516-E518 VanDerWaalsContact C-N 3.28Å; A516-E518 PolarHBondContact O-N 2.68Å; A516-L519 PolarHBondContact O-N 3.47Å; A516-G520 PolarHBondContact O-N 2.74Å; A516-H521 HydrophobicContact CB-CB 4.38Å; A516-H521 PolarHBondContact O-N 3.26Å; A516-W523 HydrophobicContact CB-CB 3.89Å; A516-W523 HydrophobicContact CB-CD2 4.37Å; A516-W523 HydrophobicContact CB-CE3 4Å; A516-W523 HydrophobicContact CB-CG 4.36Å
517	H	89.5	Confident	89.8	Confident	47 Å²	47	29.6 Å²	29.6	22%	0.218	16%	0.161	C	C	.	.	H	α-helix	trans	-64	-33.7	177.9	-66.9	-166.2	0	0	0	112.3	R513 D535 S537 R867	R513-H517 PolarHBondContact O-CD2 3.18Å; R513-H517 VanDerWaalsContact O-CD2 3.23Å; R513-H517 PolarHBondContact O-N 3.14Å; H517-D535 IonicContact NE2-OD1 3.51Å; H517-D535 PolarHBondContact NE2-OD1 3.38Å; H517-D535 IonicContact NE2-OD2 3.12Å; H517-S537 WeakPolarHBondContact NE2-CB 3.38Å; H517-S537 PolarHBondContact NE2-OG 2.79Å; H517-R867 VanDerWaalsContact CB-NH1 3.34Å; H517-R867 VanDerWaalsContact CE1-CD 3.45Å; H517-R867 WeakPolarHBondContact CE1-CD 3.3Å; H517-R867 PolarHBondContact CE1-NE 3Å; H517-R867 PolarHBondContact CE1-NH1 3.01Å; H517-R867 PolarHBondContact CE1-NH2 3.37Å
518	E	89.4	Confident	89.7	Confident	102 Å²	102	31.9 Å²	31.9	48%	0.477	18%	0.184	S	C	.	.	H	α-helix	trans	-69.7	-40.5	176.5	179.7	173.2	110.5	0	0	112.5	R492 D514 L515 A516 G520	R492-E518 VanDerWaalsContact CZ-CD 3.46Å; R492-E518 IonicContact CZ-OE1 3.19Å; R492-E518 IonicContact CZ-OE2 3.66Å; R492-E518 IonicContact NE-OE1 2.65Å; R492-E518 IonicContact NH1-OE1 3.55Å; R492-E518 PolarHBondContact NH1-OE1 3.45Å; R492-E518 IonicContact NH1-OE2 2.8Å; R492-E518 PolarHBondContact NH1-OE2 3.47Å; R492-E518 IonicContact NH2-OE1 2.8Å; R492-E518 PolarHBondContact NH2-OE1 3.05Å; R492-E518 IonicContact NH2-OE2 2.72Å; R492-E518 PolarHBondContact NH2-OE2 2.85Å; D514-E518 PolarHBondContact O-N 3.48Å; L515-E518 PolarHBondContact O-N 3.25Å; A516-E518 VanDerWaalsContact C-N 3.28Å; A516-E518 PolarHBondContact O-N 2.68Å; E518-G520 PolarHBondContact O-N 3.13Å
519	L	88.3	Confident	89.8	Confident	76 Å²	76	32.5 Å²	32.5	40%	0.398	19%	0.185	S	C	.	.	H	α-helix	trans	-82.2	-0.6	179.3	-64.9	172.4	0	0	0	113.1	F481 L515 A516 H521	F481-L519 HydrophobicContact CD2-CD1 3.75Å; F481-L519 HydrophobicContact CE2-CD1 4.24Å; L515-L519 HydrophobicContact CD1-CD1 3.87Å; L515-L519 HydrophobicContact CD1-CG 4.42Å; L515-L519 HydrophobicContact CG-CD1 4.02Å; L515-L519 WeakPolarHBondContact O-CG 3.49Å; L515-L519 PolarHBondContact O-N 3.41Å; L515-L519 VanDerWaalsContact O-N 3.12Å; A516-L519 PolarHBondContact O-N 3.47Å; L519-H521 VanDerWaalsContact C-N 3.31Å; L519-H521 PolarHBondContact O-CE1 3.27Å; L519-H521 VanDerWaalsContact O-CE1 3.26Å; L519-H521 PolarHBondContact O-N 2.79Å; L519-H521 PolarHBondContact O-ND1 2.91Å
520	G	87.4	Confident	89.5	Confident	66 Å²	66	33.7 Å²	33.7	68%	0.68	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.4	37.9	-174.9	0	0	0	0	0	112.3	A516 E518	A516-G520 PolarHBondContact O-N 2.74Å; E518-G520 PolarHBondContact O-N 3.13Å
521	H	89.9	Confident	89.4	Confident	33 Å²	33	34.9 Å²	34.9	15%	0.153	20%	0.204	C	C	.	.			trans	-105	137.7	-175.3	-73.1	13.7	0	0	0	110.9	L473 F481 A516 L519 W523	L473-H521 HydrophobicContact CD1-CB 4.48Å; L473-H521 HydrophobicContact CD2-CB 3.88Å; L473-H521 VanDerWaalsContact CD2-CD2 3.46Å; L473-H521 WeakPolarHBondContact CD2-CD2 3.46Å; L473-H521 VanDerWaalsContact CD2-CG 3.48Å; F481-H521 AromaticContact CD2-CD2 3.66Å; A516-H521 HydrophobicContact CB-CB 4.38Å; A516-H521 PolarHBondContact O-N 3.26Å; L519-H521 VanDerWaalsContact C-N 3.31Å; L519-H521 PolarHBondContact O-CE1 3.27Å; L519-H521 VanDerWaalsContact O-CE1 3.26Å; L519-H521 PolarHBondContact O-N 2.79Å; L519-H521 PolarHBondContact O-ND1 2.91Å; H521-W523 PolarHBondContact O-N 3.04Å
522	P	89	Confident	89.3	Confident	61 Å²	61	35.7 Å²	35.7	40%	0.396	21%	0.21	S	C	.	.			trans	-60.6	137.1	176.5	-23.1	33.9	0	0	0	112.2	A470 G471	A470-P522 WeakPolarHBondContact CA-O 3.39Å; G471-P522 PolarHBondContact N-O 3.27Å
523	W	91.2	Very high	89.1	Confident	17 Å²	17	36 Å²	36	6%	0.064	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	147	-177.7	177.8	-99.3	0	0	0	110.4	A468 A470 W485 E509 G512 R513 A516 H521 E525 D535	A468-W523 HydrophobicContact CB-CH2 3.63Å; A468-W523 HydrophobicContact CB-CZ2 3.44Å; A468-W523 VanDerWaalsContact CB-CZ2 3.44Å; A470-W523 HydrophobicContact CB-CE3 4.03Å; A470-W523 HydrophobicContact CB-CZ3 4.32Å; W485-W523 AromaticContact CH2-CH2 3.56Å; W485-W523 HydrophobicContact CH2-CH2 3.56Å; W485-W523 AromaticContact CH2-CZ3 3.54Å; W485-W523 HydrophobicContact CH2-CZ3 3.54Å; W485-W523 AromaticContact CZ2-CH2 3.63Å; W485-W523 HydrophobicContact CZ2-CH2 3.63Å; W485-W523 AromaticContact CZ2-CZ3 3.91Å; W485-W523 HydrophobicContact CZ2-CZ3 3.91Å; W485-W523 HydrophobicContact CZ3-CZ3 4.12Å; E509-W523 WeakPolarHBondContact O-CZ2 3.42Å; G512-W523 VanDerWaalsContact C-CZ3 3.47Å; R513-W523 HydrophobicContact CB-CD2 4.18Å; R513-W523 HydrophobicContact CB-CG 4.36Å; R513-W523 HydrophobicContact CB-CZ2 4.06Å; R513-W523 HydrophobicContact CG-CG 4.34Å; A516-W523 HydrophobicContact CB-CB 3.89Å; A516-W523 HydrophobicContact CB-CD2 4.37Å; A516-W523 HydrophobicContact CB-CE3 4Å; A516-W523 HydrophobicContact CB-CG 4.36Å; H521-W523 PolarHBondContact O-N 3.04Å; W523-E525 HydrophobicContact CZ2-CB 4.47Å; W523-E525 PolarHBondContact NE1-OE1 3.39Å; W523-D535 WeakPolarHBondContact O-CB 3.49Å
524	A	91.7	Very high	89	Confident	9 Å²	9	36 Å²	36	7%	0.074	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	142.4	164.9	0	0	0	0	0	111.1	A468 F469 F533	A468-A524 CarbonylContact C-O 3.54Å; A468-A524 VanDerWaalsContact CA-O 3.24Å; A468-A524 WeakPolarHBondContact CA-O 3.42Å; A468-A524 WeakPolarHBondContact CB-O 3.5Å; F469-A524 HydrophobicContact CD1-CB 4.42Å; F469-A524 HydrophobicContact CE1-CB 3.82Å; F469-A524 HydrophobicContact CE2-CB 4.14Å; F469-A524 HydrophobicContact CZ-CB 3.67Å; F469-A524 PolarHBondContact N-O 2.9Å; F469-A524 PolarHBondContact O-N 2.97Å; A524-F533 HydrophobicContact CB-CB 4.17Å
525	E	91.2	Very high	89	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	153.6	175.4	76.5	-163.2	96.2	0	0	111.7	A468 R506 R513 W523 W527 F533 V534	A468-E525 HydrophobicContact CB-CB 3.72Å; R506-E525 IonicContact NH1-OE2 2.75Å; R506-E525 PolarHBondContact NH1-OE2 3.07Å; R506-E525 VanDerWaalsContact NH1-OE2 3.09Å; R513-E525 WeakPolarHBondContact CD-OE1 3.35Å; R513-E525 IonicContact CZ-OE1 3.41Å; R513-E525 IonicContact NE-OE1 2.83Å; R513-E525 IonicContact NH1-OE1 3.26Å; R513-E525 PolarHBondContact NH1-OE1 2.63Å; R513-E525 IonicContact NH1-OE2 2.72Å; R513-E525 PolarHBondContact NH1-OE2 2.88Å; W523-E525 HydrophobicContact CZ2-CB 4.47Å; W523-E525 PolarHBondContact NE1-OE1 3.39Å; E525-W527 HydrophobicContact CG-CD2 4.49Å; E525-W527 HydrophobicContact CG-CZ2 3.76Å; E525-W527 VanDerWaalsContact O-CD1 3.28Å; E525-W527 VanDerWaalsContact OE2-CZ2 3.32Å; E525-W527 WeakPolarHBondContact OE2-CZ2 3.34Å; E525-F533 CarbonylContact O-C 3.49Å; E525-F533 WeakPolarHBondContact O-CA 3.42Å; E525-V534 PolarHBondContact O-N 3.44Å
526	Y	89.3	Confident	88.9	Confident	66 Å²	66	35.4 Å²	35.4	26%	0.259	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	128.6	-176.6	-179.8	-105.5	0	0	0	111.9	T467 R506 D531 F533	T467-Y526 PolarHBondContact O-N 2.81Å; R506-Y526 PolarHBondContact NH1-O 2.96Å; R506-Y526 VanDerWaalsContact NH1-O 3.13Å; R506-Y526 PolarHBondContact NH2-O 3.35Å; Y526-D531 PolarHBondContact OH-OD1 3.12Å; Y526-F533 AromaticContact CD2-CD2 3.99Å; Y526-F533 HydrophobicContact CD2-CD2 3.99Å; Y526-F533 AromaticContact CD2-CE2 3.87Å; Y526-F533 HydrophobicContact CD2-CE2 3.87Å; Y526-F533 HydrophobicContact CD2-CZ 4.41Å; Y526-F533 HydrophobicContact CG-CE2 4.35Å; Y526-F533 HydrophobicContact CG-CZ 4.45Å
527	W	89	Confident	88.8	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	100	176.7	-66	102.6	0	0	0	109.7	R506 E525 F529 L530 D531 C532 V534 L536 E861 V862 A865	R506-W527 VanDerWaalsContact CZ-CZ3 3.46Å; E525-W527 HydrophobicContact CG-CD2 4.49Å; E525-W527 HydrophobicContact CG-CZ2 3.76Å; E525-W527 VanDerWaalsContact O-CD1 3.28Å; E525-W527 VanDerWaalsContact OE2-CZ2 3.32Å; E525-W527 WeakPolarHBondContact OE2-CZ2 3.34Å; W527-F529 HydrophobicContact CB-CD1 4.17Å; W527-F529 HydrophobicContact CB-CE1 3.89Å; W527-F529 HydrophobicContact CD2-CE1 4.15Å; W527-F529 HydrophobicContact CE3-CD1 4.45Å; W527-F529 AromaticContact CE3-CE1 3.74Å; W527-F529 HydrophobicContact CE3-CE1 3.74Å; W527-F529 HydrophobicContact CG-CE1 4.25Å; W527-F529 PolarHBondContact O-N 2.68Å; W527-L530 HydrophobicContact CB-CB 4.29Å; W527-L530 HydrophobicContact CB-CD1 4.24Å; W527-L530 HydrophobicContact CB-CG 4.3Å; W527-L530 CarbonylContact O-C 3.54Å; W527-L530 WeakPolarHBondContact O-CA 3.36Å; W527-L530 PolarHBondContact O-N 3.19Å; W527-D531 PolarHBondContact O-N 2.9Å; W527-C532 PolarHBondContact N-O 3.04Å; W527-V534 PolarHBondContact NE1-O 3.13Å; W527-L536 HydrophobicContact CD2-CD1 3.85Å; W527-L536 HydrophobicContact CD2-CG 4.46Å; W527-L536 VanDerWaalsContact CE2-CD1 3.44Å; W527-L536 HydrophobicContact CE3-CD1 4.42Å; W527-L536 HydrophobicContact CG-CD1 4.29Å; W527-L536 HydrophobicContact CH2-CD1 4.25Å; W527-L536 HydrophobicContact CZ2-CD1 3.67Å; W527-L536 HydrophobicContact CZ2-CG 4.28Å; W527-E861 HydrophobicContact CH2-CB 4.33Å; W527-E861 HydrophobicContact CZ3-CB 4.2Å; W527-V862 HydrophobicContact CE3-CG2 3.81Å; W527-V862 HydrophobicContact CH2-CG2 3.86Å; W527-V862 HydrophobicContact CZ3-CG2 3.42Å; W527-V862 VanDerWaalsContact CZ3-CG2 3.42Å; W527-A865 HydrophobicContact CH2-CB 3.84Å; W527-A865 HydrophobicContact CZ2-CB 3.55Å
528	G	85.3	Confident	88.7	Confident	48 Å²	48	36.5 Å²	36.5	50%	0.495	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-13.2	-174.3	0	0	0	0	0	115.9
529	F	88.1	Confident	88.6	Confident	20 Å²	20	34.7 Å²	34.7	9%	0.088	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-18.8	171.7	73.2	-88.3	0	0	0	113.5	W527 L545 Y548 I850 L858 V862	W527-F529 HydrophobicContact CB-CD1 4.17Å; W527-F529 HydrophobicContact CB-CE1 3.89Å; W527-F529 HydrophobicContact CD2-CE1 4.15Å; W527-F529 HydrophobicContact CE3-CD1 4.45Å; W527-F529 AromaticContact CE3-CE1 3.74Å; W527-F529 HydrophobicContact CE3-CE1 3.74Å; W527-F529 HydrophobicContact CG-CE1 4.25Å; W527-F529 PolarHBondContact O-N 2.68Å; F529-L545 HydrophobicContact CE2-CD1 3.64Å; F529-L545 HydrophobicContact CZ-CD1 3.78Å; F529-Y548 HydrophobicContact CB-CE2 4.29Å; F529-Y548 AromaticContact CD2-CD1 3.88Å; F529-Y548 HydrophobicContact CD2-CD1 3.88Å; F529-Y548 HydrophobicContact CD2-CD2 4.03Å; F529-Y548 AromaticContact CD2-CE1 3.78Å; F529-Y548 HydrophobicContact CD2-CE1 3.78Å; F529-Y548 AromaticContact CD2-CE2 3.92Å; F529-Y548 HydrophobicContact CD2-CE2 3.92Å; F529-Y548 HydrophobicContact CD2-CG 4.02Å; F529-Y548 AromaticContact CD2-CZ 3.79Å; F529-Y548 HydrophobicContact CE2-CD1 4.11Å; F529-Y548 HydrophobicContact CE2-CE1 4.36Å; F529-Y548 HydrophobicContact CE2-CG 4.31Å; F529-Y548 WeakPolarHBondContact O-CD2 3.31Å; F529-Y548 WeakPolarHBondContact O-CE2 3.44Å; F529-I850 HydrophobicContact CB-CG2 4.18Å; F529-I850 HydrophobicContact CD1-CG2 3.92Å; F529-I850 HydrophobicContact CD2-CG2 3.52Å; F529-I850 HydrophobicContact CE1-CD1 4.47Å; F529-I850 HydrophobicContact CE1-CG2 4.14Å; F529-I850 HydrophobicContact CE2-CG2 3.76Å; F529-I850 HydrophobicContact CG-CG2 3.61Å; F529-I850 HydrophobicContact CZ-CD1 4.14Å; F529-I850 HydrophobicContact CZ-CG2 4.07Å; F529-L858 HydrophobicContact CD1-CD1 4.27Å; F529-L858 HydrophobicContact CD1-CD2 3.81Å; F529-L858 HydrophobicContact CE1-CD2 4.01Å; F529-V862 HydrophobicContact CE1-CG2 3.78Å; F529-V862 HydrophobicContact CZ-CG2 3.99Å
530	L	86.7	Confident	88.4	Confident	31 Å²	31	33.5 Å²	33.5	16%	0.162	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-6.6	170.8	-58	179.7	0	0	0	112.6	W527 C532 V534 L536 K544 Y548	W527-L530 HydrophobicContact CB-CB 4.29Å; W527-L530 HydrophobicContact CB-CD1 4.24Å; W527-L530 HydrophobicContact CB-CG 4.3Å; W527-L530 CarbonylContact O-C 3.54Å; W527-L530 WeakPolarHBondContact O-CA 3.36Å; W527-L530 PolarHBondContact O-N 3.19Å; L530-C532 PolarHBondContact O-N 3.18Å; L530-C532 PolarHBondContact O-SG 3.37Å; L530-C532 VanDerWaalsContact O-SG 3.33Å; L530-V534 HydrophobicContact CD1-CG1 3.98Å; L530-L536 HydrophobicContact CD1-CD2 3.82Å; L530-K544 HydrophobicContact CD1-CB 4.27Å; L530-Y548 HydrophobicContact CD2-CD2 3.99Å; L530-Y548 HydrophobicContact CD2-CG 3.96Å
531	D	86.3	Confident	88.5	Confident	109 Å²	109	30.4 Å²	30.4	58%	0.583	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.4	27.3	-173.9	-148.1	20.6	0	0	0	115.4	Y526 W527	Y526-D531 PolarHBondContact OH-OD1 3.12Å; W527-D531 PolarHBondContact O-N 2.9Å
532	C	87.9	Confident	88.5	Confident	22 Å²	22	29.4 Å²	29.4	15%	0.149	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	167.9	-179.8	61.9	0	0	0	0	112.6	W527 L530	W527-C532 PolarHBondContact N-O 3.04Å; L530-C532 PolarHBondContact O-N 3.18Å; L530-C532 PolarHBondContact O-SG 3.37Å; L530-C532 VanDerWaalsContact O-SG 3.33Å
533	F	87.9	Confident	88.6	Confident	7 Å²	7	32.1 Å²	32.1	3%	0.031	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	129.1	169	-72.2	-104.5	0	0	0	109.5	V466 F469 A524 E525 Y526 L707 F711 M714	V466-F533 HydrophobicContact CB-CZ 4.25Å; V466-F533 HydrophobicContact CG1-CE1 3.97Å; V466-F533 HydrophobicContact CG1-CZ 4.08Å; F469-F533 AromaticContact CD1-CD1 3.93Å; F469-F533 HydrophobicContact CD1-CD1 3.93Å; F469-F533 HydrophobicContact CD1-CE1 4.28Å; F469-F533 HydrophobicContact CE1-CB 4.13Å; F469-F533 AromaticContact CE1-CD1 3.84Å; F469-F533 HydrophobicContact CE1-CD1 3.84Å; F469-F533 HydrophobicContact CE1-CG 4.12Å; A524-F533 HydrophobicContact CB-CB 4.17Å; E525-F533 CarbonylContact O-C 3.49Å; E525-F533 WeakPolarHBondContact O-CA 3.42Å; Y526-F533 AromaticContact CD2-CD2 3.99Å; Y526-F533 HydrophobicContact CD2-CD2 3.99Å; Y526-F533 AromaticContact CD2-CE2 3.87Å; Y526-F533 HydrophobicContact CD2-CE2 3.87Å; Y526-F533 HydrophobicContact CD2-CZ 4.41Å; Y526-F533 HydrophobicContact CG-CE2 4.35Å; Y526-F533 HydrophobicContact CG-CZ 4.45Å; F533-L707 HydrophobicContact CD2-CD2 4.05Å; F533-L707 HydrophobicContact CE2-CD1 3.96Å; F533-L707 HydrophobicContact CE2-CD2 4.03Å; F533-F711 HydrophobicContact CB-CE1 4.14Å; F533-F711 HydrophobicContact CD1-CE1 4.36Å; F533-F711 AromaticContact CD2-CE1 3.63Å; F533-F711 HydrophobicContact CD2-CE1 3.63Å; F533-F711 HydrophobicContact CD2-CZ 4.13Å; F533-F711 HydrophobicContact CE2-CE1 4.07Å; F533-F711 HydrophobicContact CE2-CZ 4.1Å; F533-F711 AromaticContact CG-CE1 3.8Å; F533-F711 HydrophobicContact CG-CE1 3.8Å; F533-F711 HydrophobicContact CG-CZ 4.41Å; F533-F711 HydrophobicContact CZ-CZ 4.34Å; F533-M714 HydrophobicContact CB-CE 4.32Å; F533-M714 WeakPolarHBondContact O-CE 3.42Å
534	V	88.1	Confident	88.5	Confident	8 Å²	8	33.1 Å²	33.1	5%	0.048	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	145	173	66.3	0	0	0	0	110.9	E525 W527 L530 L536 G541 K544	E525-V534 PolarHBondContact O-N 3.44Å; W527-V534 PolarHBondContact NE1-O 3.13Å; L530-V534 HydrophobicContact CD1-CG1 3.98Å; V534-L536 HydrophobicContact CG1-CD2 3.84Å; V534-G541 VanDerWaalsContact CG2-CA 3.5Å; V534-K544 HydrophobicContact CB-CD 4.45Å; V534-K544 HydrophobicContact CG1-CD 4.43Å; V534-K544 HydrophobicContact CG2-CD 4.37Å
535	D	90.5	Very high	88.5	Confident	21 Å²	21	32.7 Å²	32.7	11%	0.112	18%	0.178	C	C	.	.			trans	-80.4	115.1	161.6	173	7.3	0	0	0	109.2	H517 W523 S537 S538 G541	H517-D535 IonicContact NE2-OD1 3.51Å; H517-D535 PolarHBondContact NE2-OD1 3.38Å; H517-D535 IonicContact NE2-OD2 3.12Å; W523-D535 WeakPolarHBondContact O-CB 3.49Å; D535-S537 VanDerWaalsContact CG-OG 3.26Å; D535-S537 PolarHBondContact O-N 3.49Å; D535-S537 WeakPolarHBondContact OD1-CB 3.47Å; D535-S537 PolarHBondContact OD1-N 3.11Å; D535-S537 PolarHBondContact OD1-OG 3.46Å; D535-S537 PolarHBondContact OD2-OG 2.98Å; D535-S538 WeakPolarHBondContact O-CB 3.47Å; D535-S538 PolarHBondContact O-N 3.06Å; D535-S538 VanDerWaalsContact O-N 3.14Å; D535-S538 PolarHBondContact O-OG 3.35Å; D535-G541 WeakPolarHBondContact O-CA 3.37Å
536	L	88.6	Confident	88.5	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-18.2	-178.4	-65.2	178.9	0	0	0	113.7	W527 L530 V534 S538 L545 V862 A865 L866	W527-L536 HydrophobicContact CD2-CD1 3.85Å; W527-L536 HydrophobicContact CD2-CG 4.46Å; W527-L536 VanDerWaalsContact CE2-CD1 3.44Å; W527-L536 HydrophobicContact CE3-CD1 4.42Å; W527-L536 HydrophobicContact CG-CD1 4.29Å; W527-L536 HydrophobicContact CH2-CD1 4.25Å; W527-L536 HydrophobicContact CZ2-CD1 3.67Å; W527-L536 HydrophobicContact CZ2-CG 4.28Å; L530-L536 HydrophobicContact CD1-CD2 3.82Å; V534-L536 HydrophobicContact CG1-CD2 3.84Å; L536-S538 VanDerWaalsContact C-N 3.32Å; L536-L545 HydrophobicContact CD2-CB 4.45Å; L536-V862 HydrophobicContact CD1-CB 4.24Å; L536-V862 HydrophobicContact CD1-CG1 3.72Å; L536-V862 HydrophobicContact CD1-CG2 3.81Å; L536-A865 HydrophobicContact CD1-CB 4.37Å; L536-L866 HydrophobicContact CB-CD2 4.09Å; L536-L866 HydrophobicContact CB-CG 4.33Å; L536-L866 VanDerWaalsContact O-CD2 3.23Å; L536-L866 WeakPolarHBondContact O-CD2 2.93Å
537	S	88.6	Confident	88.7	Confident	32 Å²	32	34.5 Å²	34.5	22%	0.224	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-16.6	174.7	78.9	0	0	0	0	113.3	H517 D535	H517-S537 WeakPolarHBondContact NE2-CB 3.38Å; H517-S537 PolarHBondContact NE2-OG 2.79Å; D535-S537 VanDerWaalsContact CG-OG 3.26Å; D535-S537 PolarHBondContact O-N 3.49Å; D535-S537 WeakPolarHBondContact OD1-CB 3.47Å; D535-S537 PolarHBondContact OD1-N 3.11Å; D535-S537 PolarHBondContact OD1-OG 3.46Å; D535-S537 PolarHBondContact OD2-OG 2.98Å
538	S	88.6	Confident	88.8	Confident	38 Å²	38	37.8 Å²	37.8	27%	0.266	20%	0.201	S	C	.	.	S	Bend	trans	-70.9	156.8	173.9	74.4	0	0	0	0	112.3	D535 L536 E540 G541 L542	D535-S538 WeakPolarHBondContact O-CB 3.47Å; D535-S538 PolarHBondContact O-N 3.06Å; D535-S538 VanDerWaalsContact O-N 3.14Å; D535-S538 PolarHBondContact O-OG 3.35Å; L536-S538 VanDerWaalsContact C-N 3.32Å; S538-E540 PolarHBondContact O-N 3.26Å; S538-G541 PolarHBondContact O-N 3.05Å; S538-G541 VanDerWaalsContact O-N 3.12Å; S538-G541 PolarHBondContact OG-N 2.96Å; S538-L542 WeakPolarHBondContact O-CG 3.16Å; S538-L542 PolarHBondContact O-N 3.06Å
539	T	87.3	Confident	89	Confident	65 Å²	65	35.5 Å²	35.5	40%	0.399	18%	0.178	S	C	.	.	H	α-helix	trans	-58.7	-34	177.1	48.6	0	0	0	0	113.2	R543 Y876	T539-R543 PolarHBondContact O-N 3.19Å; T539-R543 VanDerWaalsContact O-N 3.12Å; T539-Y876 PolarHBondContact O-OH 3.45Å
540	E	85	Confident	89.1	Confident	51 Å²	51	36.7 Å²	36.7	24%	0.238	19%	0.188	C	C	.	.	H	α-helix	trans	-76	-38.4	174.9	175.2	57.1	-166.4	0	0	111.9	S538 R543 K544	S538-E540 PolarHBondContact O-N 3.26Å; E540-R543 WeakPolarHBondContact O-CB 3.48Å; E540-R543 PolarHBondContact O-N 3.16Å; E540-R543 VanDerWaalsContact O-N 3.17Å; E540-R543 IonicContact OE1-CZ 3.35Å; E540-R543 IonicContact OE1-NE 3.77Å; E540-R543 IonicContact OE1-NH2 2.6Å; E540-R543 PolarHBondContact OE1-NH2 3.34Å; E540-R543 IonicContact OE2-CZ 3.3Å; E540-R543 IonicContact OE2-NE 2.98Å; E540-R543 PolarHBondContact OE2-NE 2.94Å; E540-R543 IonicContact OE2-NH2 3.21Å; E540-R543 PolarHBondContact OE2-NH2 2.63Å; E540-K544 WeakPolarHBondContact O-CG 3.33Å; E540-K544 PolarHBondContact O-N 2.66Å; E540-K544 WeakPolarHBondContact OE1-CE 3.4Å
541	G	87.9	Confident	89.1	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-60.7	-45.5	172.1	0	0	0	0	0	112.6	V534 D535 S538 R543 K544 L545	V534-G541 VanDerWaalsContact CG2-CA 3.5Å; D535-G541 WeakPolarHBondContact O-CA 3.37Å; S538-G541 PolarHBondContact O-N 3.05Å; S538-G541 VanDerWaalsContact O-N 3.12Å; S538-G541 PolarHBondContact OG-N 2.96Å; G541-R543 VanDerWaalsContact C-N 3.31Å; G541-R543 PolarHBondContact O-N 2.84Å; G541-K544 PolarHBondContact O-N 2.84Å; G541-L545 VanDerWaalsContact O-CB 3.3Å; G541-L545 WeakPolarHBondContact O-CB 3.29Å; G541-L545 PolarHBondContact O-N 2.78Å
542	L	90.3	Very high	89.1	Confident	12 Å²	12	37.7 Å²	37.7	6%	0.063	19%	0.186	C	C	.	.	H	α-helix	trans	-59.8	-39.6	171.5	-69.2	172.7	0	0	0	111.9	S538 L545 E546 L866 I871 Y876 V879	S538-L542 WeakPolarHBondContact O-CG 3.16Å; S538-L542 PolarHBondContact O-N 3.06Å; L542-L545 PolarHBondContact O-N 3.25Å; L542-E546 WeakPolarHBondContact O-CB 3.46Å; L542-E546 PolarHBondContact O-N 3.39Å; L542-L866 HydrophobicContact CD2-CD2 3.51Å; L542-I871 HydrophobicContact CD2-CD1 3.86Å; L542-I871 HydrophobicContact CD2-CG1 4.31Å; L542-Y876 HydrophobicContact CB-CD1 4Å; L542-Y876 HydrophobicContact CB-CD2 4.3Å; L542-Y876 HydrophobicContact CB-CE1 3.59Å; L542-Y876 HydrophobicContact CB-CE2 3.93Å; L542-Y876 HydrophobicContact CB-CG 4.32Å; L542-Y876 HydrophobicContact CD1-CD2 4.29Å; L542-Y876 HydrophobicContact CD1-CE2 3.84Å; L542-Y876 HydrophobicContact CG-CE2 4.5Å; L542-V879 HydrophobicContact CD2-CG1 4.38Å
543	R	90.7	Very high	88.8	Confident	119 Å²	119	37.4 Å²	37.4	45%	0.449	18%	0.183	S	C	.	.	H	α-helix	trans	-65	-49.1	177	-167.4	-172.4	69.3	77.3	1	112	T539 E540 G541 L545 E546 E547 Y876	T539-R543 PolarHBondContact O-N 3.19Å; T539-R543 VanDerWaalsContact O-N 3.12Å; E540-R543 WeakPolarHBondContact O-CB 3.48Å; E540-R543 PolarHBondContact O-N 3.16Å; E540-R543 VanDerWaalsContact O-N 3.17Å; E540-R543 IonicContact OE1-CZ 3.35Å; E540-R543 IonicContact OE1-NE 3.77Å; E540-R543 IonicContact OE1-NH2 2.6Å; E540-R543 PolarHBondContact OE1-NH2 3.34Å; E540-R543 IonicContact OE2-CZ 3.3Å; E540-R543 IonicContact OE2-NE 2.98Å; E540-R543 PolarHBondContact OE2-NE 2.94Å; E540-R543 IonicContact OE2-NH2 3.21Å; E540-R543 PolarHBondContact OE2-NH2 2.63Å; G541-R543 VanDerWaalsContact C-N 3.31Å; G541-R543 PolarHBondContact O-N 2.84Å; R543-L545 VanDerWaalsContact C-N 3.31Å; R543-L545 PolarHBondContact O-N 2.96Å; R543-E546 PolarHBondContact O-N 2.84Å; R543-E547 IonicContact NH1-OE2 2.68Å; R543-E547 PolarHBondContact NH1-OE2 2.85Å; R543-E547 WeakPolarHBondContact O-CB 3.38Å; R543-E547 PolarHBondContact O-N 2.95Å; R543-Y876 HydrophobicContact CB-CE1 4.39Å
544	K	89.9	Confident	88.2	Confident	38 Å²	38	44.2 Å²	44.2	17%	0.165	21%	0.213	C	C	.	.	H	α-helix	trans	-61.1	-39.4	176.3	-69	-176.3	-175.9	-177.8	0	111.7	L530 V534 E540 G541 Y548	L530-K544 HydrophobicContact CD1-CB 4.27Å; V534-K544 HydrophobicContact CB-CD 4.45Å; V534-K544 HydrophobicContact CG1-CD 4.43Å; V534-K544 HydrophobicContact CG2-CD 4.37Å; E540-K544 WeakPolarHBondContact O-CG 3.33Å; E540-K544 PolarHBondContact O-N 2.66Å; E540-K544 WeakPolarHBondContact OE1-CE 3.4Å; G541-K544 PolarHBondContact O-N 2.84Å; K544-Y548 WeakPolarHBondContact O-CB 3.44Å; K544-Y548 PolarHBondContact O-N 2.81Å
545	L	90.6	Very high	87.7	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-69.7	-41.2	178.2	-172.2	63.3	0	0	0	112.4	F529 L536 G541 L542 R543 Y548 L549 V862 L866 V879	F529-L545 HydrophobicContact CE2-CD1 3.64Å; F529-L545 HydrophobicContact CZ-CD1 3.78Å; L536-L545 HydrophobicContact CD2-CB 4.45Å; G541-L545 VanDerWaalsContact O-CB 3.3Å; G541-L545 WeakPolarHBondContact O-CB 3.29Å; G541-L545 PolarHBondContact O-N 2.78Å; L542-L545 PolarHBondContact O-N 3.25Å; R543-L545 VanDerWaalsContact C-N 3.31Å; R543-L545 PolarHBondContact O-N 2.96Å; L545-Y548 PolarHBondContact O-N 3.5Å; L545-L549 HydrophobicContact CD1-CD1 4.19Å; L545-L549 HydrophobicContact CD1-CG 4.29Å; L545-L549 HydrophobicContact CG-CD1 3.98Å; L545-L549 HydrophobicContact CG-CG 4.43Å; L545-L549 WeakPolarHBondContact O-CB 3.4Å; L545-L549 WeakPolarHBondContact O-CG 3.44Å; L545-L549 PolarHBondContact O-N 2.75Å; L545-V862 HydrophobicContact CD2-CG1 4.16Å; L545-L866 HydrophobicContact CD2-CD1 3.89Å; L545-L866 HydrophobicContact CD2-CD2 4.14Å; L545-L866 HydrophobicContact CD2-CG 4.46Å; L545-V879 HydrophobicContact CB-CG2 4.16Å; L545-V879 HydrophobicContact CD2-CG1 3.99Å; L545-V879 HydrophobicContact CD2-CG2 4.13Å; L545-V879 HydrophobicContact CG-CG2 3.96Å
546	E	92.7	Very high	86.4	Confident	23 Å²	23	49.7 Å²	49.7	11%	0.107	24%	0.241	C	C	.	.	H	α-helix	trans	-63.6	-42.4	173.2	-179.7	61.4	-144.7	0	0	111.4	L542 R543 Y548 L549 S550 Y876 P877 S878 V879	L542-E546 WeakPolarHBondContact O-CB 3.46Å; L542-E546 PolarHBondContact O-N 3.39Å; R543-E546 PolarHBondContact O-N 2.84Å; E546-Y548 VanDerWaalsContact C-N 3.32Å; E546-Y548 PolarHBondContact O-N 3.33Å; E546-L549 PolarHBondContact O-N 3Å; E546-S550 WeakPolarHBondContact O-CB 3.09Å; E546-S550 PolarHBondContact O-N 2.89Å; E546-S550 PolarHBondContact O-OG 3.45Å; E546-Y876 HydrophobicContact CB-CD1 3.91Å; E546-Y876 HydrophobicContact CG-CD1 4.31Å; E546-Y876 WeakPolarHBondContact OE2-CA 3.49Å; E546-P877 WeakPolarHBondContact OE1-CD 3.35Å; E546-S878 VanDerWaalsContact CD-N 3.31Å; E546-S878 WeakPolarHBondContact OE1-CB 3.4Å; E546-S878 PolarHBondContact OE1-N 3.33Å; E546-S878 PolarHBondContact OE1-OG 3.15Å; E546-S878 WeakPolarHBondContact OE2-CA 3.32Å; E546-S878 WeakPolarHBondContact OE2-CB 3.41Å; E546-S878 PolarHBondContact OE2-N 2.99Å; E546-V879 HydrophobicContact CB-CG2 3.85Å; E546-V879 WeakPolarHBondContact OE2-CG2 3.43Å; E546-V879 PolarHBondContact OE2-N 3.44Å
547	E	92.6	Very high	85.1	Confident	80 Å²	80	57.5 Å²	57.5	37%	0.374	27%	0.27	S	S	.	.	H	α-helix	trans	-62.2	-39.3	176.4	-167.5	-177.6	154	0	0	111.8	R543 S550 K551	R543-E547 IonicContact NH1-OE2 2.68Å; R543-E547 PolarHBondContact NH1-OE2 2.85Å; R543-E547 WeakPolarHBondContact O-CB 3.38Å; R543-E547 PolarHBondContact O-N 2.95Å; E547-S550 PolarHBondContact O-OG 2.95Å; E547-K551 HydrophobicContact CG-CD 4.44Å; E547-K551 WeakPolarHBondContact O-CB 3.46Å; E547-K551 VanDerWaalsContact O-CD 3.31Å; E547-K551 WeakPolarHBondContact O-CD 3.42Å; E547-K551 WeakPolarHBondContact O-CG 3.42Å; E547-K551 PolarHBondContact O-N 3Å; E547-K551 WeakPolarHBondContact OE1-CE 3.35Å; E547-K551 IonicContact OE1-NZ 3.93Å; E547-K551 PolarHBondContact OE1-NZ 3.23Å
548	Y	90.6	Very high	83.7	Confident	70 Å²	70	58.8 Å²	58.8	28%	0.275	28%	0.283	S	S	.	.	H	α-helix	trans	-66.9	-50.7	174	-177.5	-88.4	0	0	0	112.3	F529 L530 K544 L545 E546 K552 I850	F529-Y548 HydrophobicContact CB-CE2 4.29Å; F529-Y548 AromaticContact CD2-CD1 3.88Å; F529-Y548 HydrophobicContact CD2-CD1 3.88Å; F529-Y548 HydrophobicContact CD2-CD2 4.03Å; F529-Y548 AromaticContact CD2-CE1 3.78Å; F529-Y548 HydrophobicContact CD2-CE1 3.78Å; F529-Y548 AromaticContact CD2-CE2 3.92Å; F529-Y548 HydrophobicContact CD2-CE2 3.92Å; F529-Y548 HydrophobicContact CD2-CG 4.02Å; F529-Y548 AromaticContact CD2-CZ 3.79Å; F529-Y548 HydrophobicContact CE2-CD1 4.11Å; F529-Y548 HydrophobicContact CE2-CE1 4.36Å; F529-Y548 HydrophobicContact CE2-CG 4.31Å; F529-Y548 WeakPolarHBondContact O-CD2 3.31Å; F529-Y548 WeakPolarHBondContact O-CE2 3.44Å; L530-Y548 HydrophobicContact CD2-CD2 3.99Å; L530-Y548 HydrophobicContact CD2-CG 3.96Å; K544-Y548 WeakPolarHBondContact O-CB 3.44Å; K544-Y548 PolarHBondContact O-N 2.81Å; L545-Y548 PolarHBondContact O-N 3.5Å; E546-Y548 VanDerWaalsContact C-N 3.32Å; E546-Y548 PolarHBondContact O-N 3.33Å; Y548-K552 PolarHBondContact O-N 2.68Å; Y548-I850 HydrophobicContact CE1-CG2 3.92Å
549	L	89.6	Confident	82.1	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-70.3	-36.3	-175	-72.6	178.2	0	0	0	112.8	L545 E546 K552 D553 L848 I850 V879 W882	L545-L549 HydrophobicContact CD1-CD1 4.19Å; L545-L549 HydrophobicContact CD1-CG 4.29Å; L545-L549 HydrophobicContact CG-CD1 3.98Å; L545-L549 HydrophobicContact CG-CG 4.43Å; L545-L549 WeakPolarHBondContact O-CB 3.4Å; L545-L549 WeakPolarHBondContact O-CG 3.44Å; L545-L549 PolarHBondContact O-N 2.75Å; E546-L549 PolarHBondContact O-N 3Å; L549-K552 PolarHBondContact O-N 3.19Å; L549-D553 PolarHBondContact O-N 2.97Å; L549-L848 HydrophobicContact CB-CD2 4.24Å; L549-L848 HydrophobicContact CD2-CD2 4.37Å; L549-L848 HydrophobicContact CD2-CG 4.18Å; L549-I850 HydrophobicContact CD2-CG1 4.42Å; L549-V879 HydrophobicContact CD1-CG2 4.14Å; L549-W882 HydrophobicContact CD1-CB 3.79Å; L549-W882 HydrophobicContact CD1-CD2 4.49Å; L549-W882 HydrophobicContact CD1-CG 3.99Å
550	S	89.9	Confident	80.4	Confident	44 Å²	44	67 Å²	67	31%	0.308	31%	0.312	S	S	.	.	H	α-helix	trans	-66.7	-43.1	175.7	58.2	0	0	0	0	111.9	E546 E547 K552 D553 F554 S878	E546-S550 WeakPolarHBondContact O-CB 3.09Å; E546-S550 PolarHBondContact O-N 2.89Å; E546-S550 PolarHBondContact O-OG 3.45Å; E547-S550 PolarHBondContact O-OG 2.95Å; S550-K552 VanDerWaalsContact C-N 3.29Å; S550-K552 PolarHBondContact O-N 3.33Å; S550-D553 PolarHBondContact O-N 3.48Å; S550-F554 WeakPolarHBondContact O-CB 3.23Å; S550-F554 PolarHBondContact O-N 2.71Å; S550-S878 WeakPolarHBondContact CA-OG 3.48Å; S550-S878 WeakPolarHBondContact CB-OG 3.21Å
551	K	87.9	Confident	78.5	Confident	113 Å²	113	68 Å²	68	49%	0.491	34%	0.336	S	S	.	.	H	α-helix	trans	-57.8	-41.4	170.5	-73.8	170.9	-172.1	170.6	0	111.3	E547 N555	E547-K551 HydrophobicContact CG-CD 4.44Å; E547-K551 WeakPolarHBondContact O-CB 3.46Å; E547-K551 VanDerWaalsContact O-CD 3.31Å; E547-K551 WeakPolarHBondContact O-CD 3.42Å; E547-K551 WeakPolarHBondContact O-CG 3.42Å; E547-K551 PolarHBondContact O-N 3Å; E547-K551 WeakPolarHBondContact OE1-CE 3.35Å; E547-K551 IonicContact OE1-NZ 3.93Å; E547-K551 PolarHBondContact OE1-NZ 3.23Å; K551-N555 WeakPolarHBondContact O-CB 3.27Å; K551-N555 PolarHBondContact O-N 3Å; K551-N555 PolarHBondContact O-ND2 2.87Å
552	K	85	Confident	76.4	Confident	48 Å²	48	71.5 Å²	71.5	21%	0.209	37%	0.365	C	S	.	.	H	α-helix	trans	-67.6	-43.4	177.1	-166.7	176.5	-179.6	-174.8	0	112.6	Y548 L549 S550 F554 N555 H556 L848 F849 I850 G852	Y548-K552 PolarHBondContact O-N 2.68Å; L549-K552 PolarHBondContact O-N 3.19Å; S550-K552 VanDerWaalsContact C-N 3.29Å; S550-K552 PolarHBondContact O-N 3.33Å; K552-F554 VanDerWaalsContact C-N 3.34Å; K552-F554 PolarHBondContact O-N 2.87Å; K552-N555 PolarHBondContact O-N 3.42Å; K552-H556 PolarHBondContact O-N 3.48Å; K552-L848 HydrophobicContact CB-CD1 4.37Å; K552-L848 HydrophobicContact CD-CD1 4.37Å; K552-L848 HydrophobicContact CG-CD1 4.33Å; K552-F849 WeakPolarHBondContact CD-O 3.45Å; K552-F849 WeakPolarHBondContact CE-O 3.32Å; K552-F849 PolarHBondContact NZ-O 2.8Å; K552-I850 PolarHBondContact NZ-O 3.1Å; K552-G852 PolarHBondContact NZ-O 2.79Å
553	D	81.7	Confident	73.7	Confident	16 Å²	16	73 Å²	73	9%	0.086	38%	0.383	C	S	.	.	H	α-helix	trans	-65.4	-37.6	178.5	-154.5	66.4	0	0	0	112.1	L549 S550 R557 L848 K881	L549-D553 PolarHBondContact O-N 2.97Å; S550-D553 PolarHBondContact O-N 3.48Å; D553-R557 VanDerWaalsContact O-CG 3.3Å; D553-R557 WeakPolarHBondContact O-CG 3.44Å; D553-R557 PolarHBondContact O-N 2.87Å; D553-R557 IonicContact OD2-CZ 3.2Å; D553-R557 VanDerWaalsContact OD2-CZ 3.26Å; D553-R557 IonicContact OD2-NE 3.04Å; D553-R557 PolarHBondContact OD2-NE 2.93Å; D553-R557 IonicContact OD2-NH2 2.79Å; D553-R557 PolarHBondContact OD2-NH2 3.5Å; D553-L848 HydrophobicContact CB-CD1 4.33Å; D553-L848 HydrophobicContact CB-CD2 4.37Å; D553-K881 IonicContact OD1-NZ 3.67Å; D553-K881 PolarHBondContact OD1-NZ 3.42Å; D553-K881 IonicContact OD2-NZ 2.91Å; D553-K881 PolarHBondContact OD2-NZ 3.49Å
554	F	77.1	Confident	71.5	Confident	150 Å²	150	72.8 Å²	72.8	66%	0.658	40%	0.397	S	S	*	.	H	α-helix	trans	-63.8	-48.7	173.6	-171.5	-90.9	0	0	0	111.7	S550 K552 H556 R557 A558	S550-F554 WeakPolarHBondContact O-CB 3.23Å; S550-F554 PolarHBondContact O-N 2.71Å; K552-F554 VanDerWaalsContact C-N 3.34Å; K552-F554 PolarHBondContact O-N 2.87Å; F554-H556 VanDerWaalsContact C-N 3.3Å; F554-H556 PolarHBondContact O-N 2.77Å; F554-R557 PolarHBondContact O-N 3.09Å; F554-A558 PolarHBondContact O-N 3.25Å
555	N	75.8	Confident	69.2	Low	100 Å²	100	77.9 Å²	77.9	54%	0.535	43%	0.427	S	S	.	.	H	α-helix	trans	-63.2	-33.8	178.7	-71.8	-19.3	0	0	0	112.7	K551 K552 H559	K551-N555 WeakPolarHBondContact O-CB 3.27Å; K551-N555 PolarHBondContact O-N 3Å; K551-N555 PolarHBondContact O-ND2 2.87Å; K552-N555 PolarHBondContact O-N 3.42Å; N555-H559 PolarHBondContact O-N 3.26Å
556	H	63.9	Low	66.8	Low	45 Å²	45	87.2 Å²	87.2	21%	0.208	47%	0.47	C	S	.	.	H	α-helix	trans	-65	-48.1	174.4	-165.8	-82.2	0	0	0	111.6	K552 F554 A558 H559 E560 R846	K552-H556 PolarHBondContact O-N 3.48Å; F554-H556 VanDerWaalsContact C-N 3.3Å; F554-H556 PolarHBondContact O-N 2.77Å; H556-A558 VanDerWaalsContact C-N 3.29Å; H556-A558 PolarHBondContact O-N 2.93Å; H556-H559 PolarHBondContact O-N 3.17Å; H556-H559 VanDerWaalsContact O-N 3.1Å; H556-E560 IonicContact CE1-OE1 3Å; H556-E560 PolarHBondContact CE1-OE1 3.31Å; H556-E560 IonicContact CE1-OE2 2.7Å; H556-E560 PolarHBondContact CE1-OE2 2.76Å; H556-E560 VanDerWaalsContact CE1-OE2 3.26Å; H556-E560 IonicContact ND1-OE1 2.98Å; H556-E560 IonicContact ND1-OE2 3.99Å; H556-E560 PolarHBondContact ND1-OE2 2.8Å; H556-E560 PolarHBondContact O-N 3.04Å; H556-R846 WeakPolarHBondContact NE2-CD 3.35Å; H556-R846 PolarHBondContact NE2-NH1 2.8Å
557	R	61.8	Low	64.5	Low	163 Å²	163	92.3 Å²	92.3	62%	0.615	50%	0.503	S	S	*	.	H	α-helix	trans	-60.9	-37.7	177.6	-66.4	172	-164	-148.1	13.7	112.2	D553 F554 H559 E560 G561	D553-R557 VanDerWaalsContact O-CG 3.3Å; D553-R557 WeakPolarHBondContact O-CG 3.44Å; D553-R557 PolarHBondContact O-N 2.87Å; D553-R557 IonicContact OD2-CZ 3.2Å; D553-R557 VanDerWaalsContact OD2-CZ 3.26Å; D553-R557 IonicContact OD2-NE 3.04Å; D553-R557 PolarHBondContact OD2-NE 2.93Å; D553-R557 IonicContact OD2-NH2 2.79Å; D553-R557 PolarHBondContact OD2-NH2 3.5Å; F554-R557 PolarHBondContact O-N 3.09Å; R557-H559 VanDerWaalsContact C-N 3.34Å; R557-E560 PolarHBondContact O-N 3.43Å; R557-G561 PolarHBondContact O-N 2.97Å; R557-G561 VanDerWaalsContact O-N 3.07Å
558	A	59.6	Low	62	Low	60 Å²	60	93.2 Å²	93.2	50%	0.496	52%	0.518	S	S	.	.	H	α-helix	trans	-63.1	-38.5	175	0	0	0	0	0	112.4	F554 H556	F554-A558 PolarHBondContact O-N 3.25Å; H556-A558 VanDerWaalsContact C-N 3.29Å; H556-A558 PolarHBondContact O-N 2.93Å
559	H	54.8	Low	59.4	Low	152 Å²	152	98 Å²	98	70%	0.704	55%	0.548	S	S	*	.	H	α-helix	trans	-73.5	-36.5	175.5	-102.3	-64.9	0	0	0	113.6	N555 H556 R557 G561 A562	N555-H559 PolarHBondContact O-N 3.26Å; H556-H559 PolarHBondContact O-N 3.17Å; H556-H559 VanDerWaalsContact O-N 3.1Å; R557-H559 VanDerWaalsContact C-N 3.34Å; H559-G561 VanDerWaalsContact C-N 3.3Å; H559-G561 PolarHBondContact O-N 2.96Å; H559-A562 PolarHBondContact O-N 2.99Å; H559-A562 VanDerWaalsContact O-N 3.13Å
560	E	51.8	Low	57	Low	123 Å²	123	108.1 Å²	108.1	58%	0.575	59%	0.586	S	S	*	*	H	α-helix	trans	-67.4	-30	175.2	-73.1	179.9	123.9	0	0	112.6	H556 R557 A562	H556-E560 IonicContact CE1-OE1 3Å; H556-E560 PolarHBondContact CE1-OE1 3.31Å; H556-E560 IonicContact CE1-OE2 2.7Å; H556-E560 PolarHBondContact CE1-OE2 2.76Å; H556-E560 VanDerWaalsContact CE1-OE2 3.26Å; H556-E560 IonicContact ND1-OE1 2.98Å; H556-E560 IonicContact ND1-OE2 3.99Å; H556-E560 PolarHBondContact ND1-OE2 2.8Å; H556-E560 PolarHBondContact O-N 3.04Å; R557-E560 PolarHBondContact O-N 3.43Å; E560-A562 PolarHBondContact O-N 3.39Å
561	G	45.1	Very low	54.4	Low	72 Å²	72	114.6 Å²	114.6	74%	0.742	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	-18.7	170.7	0	0	0	0	0	114.4	R557 H559	R557-G561 PolarHBondContact O-N 2.97Å; R557-G561 VanDerWaalsContact O-N 3.07Å; H559-G561 VanDerWaalsContact C-N 3.3Å; H559-G561 PolarHBondContact O-N 2.96Å
562	A	43.4	Very low	51.8	Low	74 Å²	74	118.8 Å²	118.8	61%	0.612	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.3	43.9	-179.7	0	0	0	0	0	112.5	H559 E560	H559-A562 PolarHBondContact O-N 2.99Å; H559-A562 VanDerWaalsContact O-N 3.13Å; E560-A562 PolarHBondContact O-N 3.39Å
563	G	32.6	Very low	49.6	Very low	43 Å²	43	122.8 Å²	122.8	44%	0.443	66%	0.656	S	S	.	*			trans	-62	145.5	178.7	0	0	0	0	0	113.6	N565	G563-N565 PolarHBondContact O-N 2.97Å
564	P	44.3	Very low	47.3	Very low	114 Å²	114	128.1 Å²	128.1	74%	0.74	69%	0.692	S	S	*	*	S	Bend	trans	-78.3	40.4	-165	33	-38.6	0	0	0	115.9	T567	P564-T567 PolarHBondContact O-OG1 2.61Å
565	N	41.9	Very low	45.1	Very low	146 Å²	146	126.3 Å²	126.3	78%	0.781	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89	-6	-176.1	-76.1	-10.4	0	0	0	115.3	G563 T567	G563-N565 PolarHBondContact O-N 2.97Å; N565-T567 VanDerWaalsContact C-N 3.33Å; N565-T567 PolarHBondContact O-N 3.41Å
566	E	41.7	Very low	43.6	Very low	196 Å²	196	127.7 Å²	127.7	92%	0.916	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.7	8.7	180	-70	-160.2	119.6	0	0	115
567	T	42.6	Very low	41.9	Very low	130 Å²	130	129.1 Å²	129.1	80%	0.798	74%	0.739	S	S	*	*			trans	-96.2	19.4	-173.6	56.3	0	0	0	0	115.4	P564 N565	P564-T567 PolarHBondContact O-OG1 2.61Å; N565-T567 VanDerWaalsContact C-N 3.33Å; N565-T567 PolarHBondContact O-N 3.41Å
568	S	41.1	Very low	40.6	Very low	98 Å²	98	131.3 Å²	131.3	69%	0.685	75%	0.753	S	S	*	*			trans	-129.4	52.1	-178.2	71	0	0	0	0	115.3
569	N	35	Very low	40.6	Very low	170 Å²	170	134 Å²	134	91%	0.909	77%	0.765	S	S	*	*			trans	-139.5	78.9	163.3	-99.9	-41	0	0	0	112.1
570	R	40.9	Very low	39.5	Very low	213 Å²	213	135.9 Å²	135.9	80%	0.804	77%	0.772	S	S	*	*			trans	-102.3	152.3	166.5	178.6	179.3	-93.7	-168	-4.9	109.2
571	F	35	Very low	38.7	Very low	181 Å²	181	138 Å²	138	79%	0.794	78%	0.779	S	S	*	*			trans	74.5	123.5	-175.5	-47.3	-76.9	0	0	0	112.6
572	K	32.2	Very low	37.9	Very low	200 Å²	200	143.1 Å²	143.1	87%	0.87	78%	0.781	S	S	*	*			cis	-137.2	153.2	30.4	-66.7	164.2	-178	169	0	112.7
573	T	38.4	Very low	37.3	Very low	132 Å²	132	144.5 Å²	144.5	81%	0.81	79%	0.785	S	S	*	*			trans	-79	155.5	164.8	43.4	0	0	0	0	111.4
574	P	34.6	Very low	37.2	Very low	128 Å²	128	149.7 Å²	149.7	83%	0.831	80%	0.803	S	S	*	*			trans	-126.2	149.7	133.3	35.7	-29.4	0	0	0	112.8
575	S	29.9	Very low	36.8	Very low	112 Å²	112	150.1 Å²	150.1	78%	0.783	81%	0.809	S	S	*	*			trans	-89	170.1	-178.7	-57.6	0	0	0	0	111.8
576	P	44.4	Very low	36.7	Very low	129 Å²	129	151.1 Å²	151.1	84%	0.838	81%	0.812	S	S	*	*			trans	-92.1	149.6	-151.1	34.9	-36.4	0	0	0	116.2
577	G	29.7	Very low	36.3	Very low	76 Å²	76	147 Å²	147	78%	0.784	81%	0.805	S	S	*	*			trans	-139.9	140.4	166.4	0	0	0	0	0	111.4
578	K	34	Very low	35.9	Very low	208 Å²	208	147.7 Å²	147.7	90%	0.904	81%	0.809	S	S	*	*			trans	-105.1	-173.1	178.8	-50.7	-175.1	177.4	179.3	0	110.9
579	P	58.8	Low	35.4	Very low	116 Å²	116	146.5 Å²	146.5	75%	0.753	81%	0.812	S	S	*	*				-130.9	158.8	-98.9	37.7	-19.6	0	0	0	114.7
580	K	31.6	Very low	35.2	Very low	193 Å²	193	142.7 Å²	142.7	84%	0.839	80%	0.804	S	S	*	*			trans	-164.5	121.3	158	-116.1	159.5	-175.2	176.3	0	116.1
581	K	36.3	Very low	34.9	Very low	168 Å²	168	142.5 Å²	142.5	73%	0.73	81%	0.809	S	S	*	*				60.6	112	129.6	-76	-169.4	173.3	-164.2	0	122.1
582	F	28.2	Very low	34.9	Very low	179 Å²	179	141.5 Å²	141.5	79%	0.785	81%	0.812	S	S	*	*				97.8	147.9	124.2	-92.1	-70.8	0	0	0	122.9
583	C	29.8	Very low	35.1	Very low	102 Å²	102	139.5 Å²	139.5	69%	0.689	81%	0.81	S	S	*	*			trans	56.9	102.8	161.9	40.5	0	0	0	0	122.4
584	N	31.8	Very low	35.3	Very low	153 Å²	153	141.4 Å²	141.4	82%	0.818	81%	0.81	S	S	*	*				40.2	121	110.9	-50.1	8.7	0	0	0	119.7
585	S	35.7	Very low	35.3	Very low	123 Å²	123	138.4 Å²	138.4	86%	0.86	80%	0.803	S	S	*	*				-157.1	146.8	117.7	-14.1	0	0	0	0	111.1
586	I	38.3	Very low	35.9	Very low	166 Å²	166	141.1 Å²	141.1	85%	0.851	81%	0.808	S	S	*	*			trans	-120.6	134	166.3	-65.8	169.8	0	0	0	106.8
587	S	34.6	Very low	36	Very low	111 Å²	111	143 Å²	143	78%	0.776	81%	0.811	S	S	*	*			trans	-165.4	120.7	155.2	-91.4	0	0	0	0	107.7
588	V	33.5	Very low	37.2	Very low	144 Å²	144	144.4 Å²	144.4	87%	0.873	80%	0.8	S	S	*	*				64.5	124.7	91.4	177.4	0	0	0	0	112.7
589	G	30.6	Very low	38.9	Very low	73 Å²	73	137.9 Å²	137.9	75%	0.753	78%	0.78	S	S	*	*			cis	162.2	148.7	-4.9	0	0	0	0	0	112.7
590	A	31.3	Very low	38.4	Very low	89 Å²	89	139.1 Å²	139.1	74%	0.736	78%	0.78	S	S	*	*			trans	-178	135.6	172.7	0	0	0	0	0	108.1
591	F	33.7	Very low	39.5	Very low	210 Å²	210	134.8 Å²	134.8	92%	0.921	76%	0.763	S	S	*	*			cis	-128.2	176.1	-1.1	-101.4	-84.2	0	0	0	111.1
592	L	36.3	Very low	40.8	Very low	160 Å²	160	130.4 Å²	130.4	84%	0.838	75%	0.745	S	S	*	*			trans	-85.1	-177.3	178	-67.6	166.6	0	0	0	112.7
593	D	35.8	Very low	42.5	Very low	157 Å²	157	125.6 Å²	125.6	84%	0.84	73%	0.726	S	S	*	*			trans	149.8	68.9	-157.1	-57.6	3.8	0	0	0	111.3
594	E	42.5	Very low	44.1	Very low	172 Å²	172	125.6 Å²	125.6	80%	0.804	72%	0.715	S	S	*	*			trans	-71.9	158.2	174.6	-60.1	179.1	163.6	0	0	111.1
595	G	35.2	Very low	45.7	Very low	66 Å²	66	123.1 Å²	123.1	68%	0.68	70%	0.701	S	S	*	*			cis	159.5	137.3	-5.2	0	0	0	0	0	110.4
596	D	41.5	Very low	46.9	Very low	168 Å²	168	124.4 Å²	124.4	90%	0.898	69%	0.687	S	S	*	*			trans	-172.2	147.6	156.6	-109.7	-19.9	0	0	0	110.2
597	D	46.9	Very low	47.8	Very low	168 Å²	168	122.6 Å²	122.6	90%	0.898	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-88.5	131.4	-155.5	-74.5	-50.4	0	0	0	116.9
598	I	54.4	Low	48.5	Very low	107 Å²	107	121.6 Å²	121.6	55%	0.549	66%	0.661	S	S	.	*	P	Polyproline II helix	trans	-84	118.5	166.9	-59.1	173.9	0	0	0	109.4	E602 I603	I598-E602 HydrophobicContact CG2-CB 4.1Å; I598-E602 HydrophobicContact CG2-CG 4.42Å; I598-I603 HydrophobicContact CG2-CG1 4.48Å
599	S	69.5	Low	49.4	Very low	71 Å²	71	118 Å²	118	50%	0.497	65%	0.647	S	S	.	*	P	Polyproline II helix	trans	-65.9	148.6	-175.9	79	0	0	0	0	114	E601 E602	S599-E601 PolarHBondContact O-N 3.32Å; S599-E601 VanDerWaalsContact O-N 3.1Å; S599-E602 WeakPolarHBondContact O-CB 3.22Å; S599-E602 PolarHBondContact O-N 3.1Å
600	L	48.8	Very low	50	Low	142 Å²	142	117.2 Å²	117.2	74%	0.743	63%	0.633	S	S	*	*	H	α-helix	trans	-55.3	-28.8	179.9	-88.2	161.4	0	0	0	114.2	E602 I603 K604	L600-E602 VanDerWaalsContact C-N 3.34Å; L600-I603 PolarHBondContact O-N 2.58Å; L600-K604 WeakPolarHBondContact O-CB 3.48Å; L600-K604 PolarHBondContact O-N 3Å; L600-K604 VanDerWaalsContact O-N 3.16Å
601	E	55	Low	50.6	Low	102 Å²	102	118.8 Å²	118.8	48%	0.477	63%	0.629	S	S	.	*	H	α-helix	trans	-72.1	-29	-179.1	-140.4	61.3	-150.2	0	0	112.2	S599 K604 N605	S599-E601 PolarHBondContact O-N 3.32Å; S599-E601 VanDerWaalsContact O-N 3.1Å; E601-K604 WeakPolarHBondContact OE1-CD 3.39Å; E601-K604 WeakPolarHBondContact OE1-CE 3.34Å; E601-K604 IonicContact OE1-NZ 2.99Å; E601-K604 PolarHBondContact OE1-NZ 3.33Å; E601-K604 IonicContact OE2-NZ 3.72Å; E601-N605 WeakPolarHBondContact O-CB 3.27Å; E601-N605 PolarHBondContact O-N 2.93Å; E601-N605 PolarHBondContact O-ND2 3.36Å
602	E	62.6	Low	51	Low	75 Å²	75	113.3 Å²	113.3	35%	0.35	62%	0.616	S	S	.	*	H	α-helix	trans	-72.2	-39.2	176.7	-162	-176	130.5	0	0	111.6	I598 S599 L600 K604 N605 R606	I598-E602 HydrophobicContact CG2-CB 4.1Å; I598-E602 HydrophobicContact CG2-CG 4.42Å; S599-E602 WeakPolarHBondContact O-CB 3.22Å; S599-E602 PolarHBondContact O-N 3.1Å; L600-E602 VanDerWaalsContact C-N 3.34Å; E602-K604 VanDerWaalsContact C-N 3.35Å; E602-N605 PolarHBondContact O-N 3.38Å; E602-R606 PolarHBondContact O-N 2.79Å; E602-R606 VanDerWaalsContact O-N 3.11Å; E602-R606 IonicContact OE1-CZ 3.55Å; E602-R606 IonicContact OE1-NH1 2.71Å; E602-R606 PolarHBondContact OE1-NH1 2.95Å; E602-R606 IonicContact OE1-NH2 2.7Å; E602-R606 PolarHBondContact OE1-NH2 2.77Å
603	I	64.6	Low	51.2	Low	79 Å²	79	110.2 Å²	110.2	41%	0.405	61%	0.608	S	S	.	*	H	α-helix	trans	-63.2	-43.7	174.5	-61.6	173.6	0	0	0	110.2	I598 L600 R606 Q607	I598-I603 HydrophobicContact CG2-CG1 4.48Å; L600-I603 PolarHBondContact O-N 2.58Å; I603-R606 PolarHBondContact O-N 2.7Å; I603-Q607 PolarHBondContact O-N 3.31Å; I603-Q607 VanDerWaalsContact O-N 3.13Å
604	K	63.3	Low	51.4	Low	102 Å²	102	108.8 Å²	108.8	44%	0.443	60%	0.599	S	S	.	*	H	α-helix	trans	-65.3	-40.7	178.2	-177	176.6	165.2	-159.8	0	112.6	L600 E601 E602 Q607 N608	L600-K604 WeakPolarHBondContact O-CB 3.48Å; L600-K604 PolarHBondContact O-N 3Å; L600-K604 VanDerWaalsContact O-N 3.16Å; E601-K604 WeakPolarHBondContact OE1-CD 3.39Å; E601-K604 WeakPolarHBondContact OE1-CE 3.34Å; E601-K604 IonicContact OE1-NZ 2.99Å; E601-K604 PolarHBondContact OE1-NZ 3.33Å; E601-K604 IonicContact OE2-NZ 3.72Å; E602-K604 VanDerWaalsContact C-N 3.35Å; K604-Q607 PolarHBondContact O-N 2.98Å; K604-N608 PolarHBondContact O-N 3.17Å
605	N	65	Low	51.2	Low	100 Å²	100	106.4 Å²	106.4	54%	0.535	60%	0.596	S	S	.	*	H	α-helix	trans	-64.3	-39.3	173.9	-81	-23.4	0	0	0	112.6	E601 E602 Q607 N608 A609	E601-N605 WeakPolarHBondContact O-CB 3.27Å; E601-N605 PolarHBondContact O-N 2.93Å; E601-N605 PolarHBondContact O-ND2 3.36Å; E602-N605 PolarHBondContact O-N 3.38Å; N605-Q607 VanDerWaalsContact C-N 3.32Å; N605-Q607 PolarHBondContact O-N 3.23Å; N605-N608 PolarHBondContact O-N 3.44Å; N605-A609 PolarHBondContact O-N 3.1Å
606	R	62.3	Low	51.2	Low	150 Å²	150	108.8 Å²	108.8	57%	0.566	60%	0.602	S	S	*	*	H	α-helix	trans	-63.2	-35.7	173.5	-72.7	-175.3	178.4	108	9.3	112.8	E602 I603	E602-R606 PolarHBondContact O-N 2.79Å; E602-R606 VanDerWaalsContact O-N 3.11Å; E602-R606 IonicContact OE1-CZ 3.55Å; E602-R606 IonicContact OE1-NH1 2.71Å; E602-R606 PolarHBondContact OE1-NH1 2.95Å; E602-R606 IonicContact OE1-NH2 2.7Å; E602-R606 PolarHBondContact OE1-NH2 2.77Å; I603-R606 PolarHBondContact O-N 2.7Å
607	Q	55.7	Low	50.8	Low	128 Å²	128	105.8 Å²	105.8	60%	0.598	60%	0.595	S	S	*	*	H	α-helix	trans	-70.6	-39.1	176.3	-71.5	179.7	-2.4	0	0	112.8	I603 K604 N605 A609 A610	I603-Q607 PolarHBondContact O-N 3.31Å; I603-Q607 VanDerWaalsContact O-N 3.13Å; K604-Q607 PolarHBondContact O-N 2.98Å; N605-Q607 VanDerWaalsContact C-N 3.32Å; N605-Q607 PolarHBondContact O-N 3.23Å; Q607-A609 PolarHBondContact O-N 3.45Å; Q607-A610 PolarHBondContact O-N 2.9Å
608	N	51.2	Low	49.8	Very low	91 Å²	91	102.7 Å²	102.7	49%	0.487	59%	0.593	S	S	.	*	H	α-helix	trans	-63.2	-40.7	175.9	-75.4	-26.4	0	0	0	112.4	K604 N605 A610 L611	K604-N608 PolarHBondContact O-N 3.17Å; N605-N608 PolarHBondContact O-N 3.44Å; N608-A610 VanDerWaalsContact C-N 3.25Å; N608-A610 PolarHBondContact O-N 3.33Å; N608-L611 PolarHBondContact O-N 2.88Å
609	A	51.5	Low	48.5	Very low	69 Å²	69	102.9 Å²	102.9	57%	0.57	61%	0.61	S	S	*	*	H	α-helix	trans	-59.2	-34.7	178.5	0	0	0	0	0	113.2	N605 Q607 L611	N605-A609 PolarHBondContact O-N 3.1Å; Q607-A609 PolarHBondContact O-N 3.45Å; A609-L611 VanDerWaalsContact C-N 3.31Å; A609-L611 PolarHBondContact O-N 3.02Å
610	A	43.2	Very low	46.6	Very low	56 Å²	56	104.6 Å²	104.6	46%	0.463	62%	0.622	S	S	.	*	H	α-helix	trans	-74.4	-15.8	-179.4	0	0	0	0	0	114.3	Q607 N608 S613	Q607-A610 PolarHBondContact O-N 2.9Å; N608-A610 VanDerWaalsContact C-N 3.25Å; N608-A610 PolarHBondContact O-N 3.33Å; A610-S613 PolarHBondContact O-OG 3.08Å
611	L	43.1	Very low	45.7	Very low	122 Å²	122	107.4 Å²	107.4	64%	0.639	63%	0.628	S	S	*	*	H	α-helix	trans	-89.9	-25	-179.5	-72.9	171.4	0	0	0	113.3	N608 A609	N608-L611 PolarHBondContact O-N 2.88Å; A609-L611 VanDerWaalsContact C-N 3.31Å; A609-L611 PolarHBondContact O-N 3.02Å
612	S	42.4	Very low	44.4	Very low	95 Å²	95	109.2 Å²	109.2	66%	0.664	64%	0.641	S	S	*	*	H	α-helix	trans	-74.8	-23.3	177.3	-63.9	0	0	0	0	113.7	I614	S612-I614 PolarHBondContact O-N 3.16Å
613	S	41.3	Very low	42.7	Very low	95 Å²	95	111.5 Å²	111.5	66%	0.664	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	-3.6	-174.1	49.9	0	0	0	0	115.6	A610	A610-S613 PolarHBondContact O-OG 3.08Å
614	I	40	Very low	40.9	Very low	127 Å²	127	114.4 Å²	114.4	65%	0.651	68%	0.676	S	S	*	*	S	Bend	trans	-104.3	-17.8	-173.1	-62.5	177.8	0	0	0	112.4	S612 S616	S612-I614 PolarHBondContact O-N 3.16Å; I614-S616 PolarHBondContact O-N 3.26Å
615	T	37.1	Very low	39.3	Very low	121 Å²	121	119.4 Å²	119.4	74%	0.742	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.3	19.3	-164.3	-34.7	0	0	0	0	114.6
616	S	35.3	Very low	37.4	Very low	116 Å²	116	118 Å²	118	81%	0.811	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.4	13.1	-174.7	-58.1	0	0	0	0	115.5	I614	I614-S616 PolarHBondContact O-N 3.26Å
617	S	33.7	Very low	35.7	Very low	106 Å²	106	116.8 Å²	116.8	74%	0.741	72%	0.721	S	S	*	*	S	Bend	trans	-155.8	68.7	-179.5	64.1	0	0	0	0	116.3
618	A	26.6	Very low	34.2	Very low	103 Å²	103	117 Å²	117	85%	0.851	73%	0.731	S	S	*	*			trans	178.2	113.7	146.5	0	0	0	0	0	113.7
619	A	26	Very low	33	Very low	110 Å²	110	116.5 Å²	116.5	91%	0.909	75%	0.747	S	S	*	*			trans	-161.9	75.1	160.9	0	0	0	0	0	111.8
620	S	29.2	Very low	31.6	Very low	108 Å²	108	116.7 Å²	116.7	76%	0.755	76%	0.756	S	S	*	*			trans	-136.8	99.9	-176.9	61.7	0	0	0	0	113.7
621	K	29.9	Very low	30.8	Very low	201 Å²	201	126.4 Å²	126.4	87%	0.874	78%	0.781	S	S	*	*			trans	168.7	117.1	155.8	-94.8	155.1	-176.1	178.7	0	106.6
622	D	27.8	Very low	29.9	Very low	140 Å²	140	127.8 Å²	127.8	75%	0.749	78%	0.784	S	S	*	*			cis	75.3	116.5	46	-170.2	22.7	0	0	0	114.3
623	T	26.9	Very low	29	Very low	122 Å²	122	133.5 Å²	133.5	75%	0.748	80%	0.797	S	S	*	*			trans	177.9	100.9	142.1	-71.4	0	0	0	0	112.5
624	L	28.2	Very low	28.1	Very low	140 Å²	140	135 Å²	135	73%	0.733	79%	0.794	S	S	*	*			trans	57.5	139	138.1	-64.1	176.3	0	0	0	126.3
625	K	28.3	Very low	27.4	Very low	207 Å²	207	137.2 Å²	137.2	90%	0.9	81%	0.805	S	S	*	*			trans	72.9	135.8	153	-69.6	170.1	179.8	178.8	0	119.6
626	G	24.8	Very low	26.7	Very low	70 Å²	70	135.3 Å²	135.3	72%	0.722	80%	0.801	S	S	*	*			cis	161.1	151.2	-12.9	0	0	0	0	0	115.9
627	S	27.1	Very low	26.1	Very low	125 Å²	125	136.8 Å²	136.8	87%	0.874	80%	0.799	S	S	*	*			trans	69	157.2	175.2	-127.7	0	0	0	0	115.7
628	V	24.5	Very low	25.6	Very low	134 Å²	134	140.1 Å²	140.1	81%	0.812	80%	0.795	S	S	*	*			cis	-139.4	150.2	12.1	177.2	0	0	0	0	110.5
629	G	25.3	Very low	25.5	Very low	79 Å²	79	144 Å²	144	81%	0.814	80%	0.796	S	S	*	*			trans	96.1	134.7	145.6	0	0	0	0	0	117.4
630	G	23.3	Very low	25.4	Very low	74 Å²	74	150.3 Å²	150.3	76%	0.763	80%	0.796	S	S	*	*			trans	-144.6	172.5	170.6	0	0	0	0	0	111.3
631	R	26.1	Very low	25.3	Very low	260 Å²	260	148.3 Å²	148.3	98%	0.981	79%	0.793	S	S	*	*			trans	-152.9	140.6	158.4	-111.1	163.5	-162.9	-100.4	0.6	111.3
632	E	23.5	Very low	25.2	Very low	150 Å²	150	143.5 Å²	143.5	70%	0.701	79%	0.79	S	S	*	*			trans	-79.9	152.5	-175	172.5	178.2	-139	0	0	112.1
633	F	23.5	Very low	25.2	Very low	215 Å²	215	143.9 Å²	143.9	94%	0.943	79%	0.792	S	S	*	*			trans	-152.1	136.5	140	-98.7	-65.6	0	0	0	110.9
634	H	22.6	Very low	25.3	Very low	127 Å²	127	144.5 Å²	144.5	59%	0.588	79%	0.79	S	S	*	*			trans	-126.2	116.5	-178.5	-113.9	-59.9	0	0	0	109.2	K688	H634-K688 PolarHBondContact NE2-NZ 2.96Å
635	I	25.7	Very low	25.3	Very low	174 Å²	174	146.6 Å²	146.6	89%	0.892	80%	0.8	S	S	*	*			trans	-141.9	137.8	151.1	-60.2	-174.8	0	0	0	107.5
636	A	23.1	Very low	25.2	Very low	80 Å²	80	144.3 Å²	144.3	66%	0.661	79%	0.793	S	S	*	*			trans	-149.3	139.6	168.5	0	0	0	0	0	109.1
637	L	22.2	Very low	25.4	Very low	147 Å²	147	147.8 Å²	147.8	77%	0.77	80%	0.795	S	S	*	*			trans	-175.9	157.5	138.9	-128.8	67.2	0	0	0	114.1
638	R	22.3	Very low	25.6	Very low	176 Å²	176	147 Å²	147	66%	0.664	80%	0.796	S	S	*	*			trans	73.7	109.4	152.9	-62	-79.7	-178.7	-169.6	2.8	120.4
639	H	24.9	Very low	25.7	Very low	185 Å²	185	145.4 Å²	145.4	86%	0.856	80%	0.797	S	S	*	*			trans	68	157.4	142.3	-56.5	-46.9	0	0	0	117.2
640	R	24.7	Very low	25.9	Very low	243 Å²	243	150.7 Å²	150.7	92%	0.917	80%	0.801	S	S	*	*			cis	-153.3	164.1	3.3	-145.9	-179.4	-170.2	176.9	3.3	109.7
641	G	26.8	Very low	26.1	Very low	66 Å²	66	159.1 Å²	159.1	68%	0.68	81%	0.809	S	S	*	*			trans	92.9	89.5	153.1	0	0	0	0	0	116.8
642	A	27.5	Very low	26.2	Very low	100 Å²	100	153.9 Å²	153.9	83%	0.826	80%	0.801	S	S	*	*			trans	-132	112.9	151	0	0	0	0	0	105.7
643	D	27.1	Very low	26.5	Very low	148 Å²	148	154 Å²	154	79%	0.791	81%	0.805	S	S	*	*			trans	-149.6	155	-169.4	-81.8	-60.2	0	0	0	110.5
644	L	30.3	Very low	26.6	Very low	135 Å²	135	152 Å²	152	71%	0.707	80%	0.803	S	S	*	*			trans	68.3	78.6	166.1	-62.6	166.6	0	0	0	118.5
645	I	27.1	Very low	26.7	Very low	184 Å²	184	151.6 Å²	151.6	94%	0.944	81%	0.814	S	S	*	*				-120.2	98.4	113.3	-59.8	-178	0	0	0	107.2
646	E	27.7	Very low	26.7	Very low	159 Å²	159	148.8 Å²	148.8	74%	0.743	81%	0.808	S	S	*	*			trans	-152.2	161	176.8	-168.3	169.3	-122.3	0	0	108.6
647	N	28.6	Very low	26.8	Very low	142 Å²	142	151 Å²	151	76%	0.759	82%	0.818	S	S	*	*			trans	83.5	72.7	-175.4	-51.8	-83.4	0	0	0	116.8
648	A	30.3	Very low	26.9	Very low	109 Å²	109	151.7 Å²	151.7	90%	0.901	82%	0.822	S	S	*	*	S	Bend	trans	-153.6	23.6	153.3	0	0	0	0	0	114.2
649	A	27.7	Very low	27.1	Very low	101 Å²	101	151.3 Å²	151.3	84%	0.835	83%	0.833	S	S	*	*			trans	-143.7	43	-169.5	0	0	0	0	0	114.9
650	E	29.2	Very low	27.2	Very low	190 Å²	190	145.7 Å²	145.7	89%	0.888	83%	0.826	S	S	*	*			trans	-128.3	90.8	167	-75.4	-166.2	167	0	0	111.4
651	R	27.7	Very low	27.3	Very low	250 Å²	250	141.6 Å²	141.6	94%	0.943	82%	0.821	S	S	*	*			trans	-150.3	89.3	151.6	-86.5	-162.3	174.6	68.4	7.8	108.4
652	D	27.5	Very low	27.3	Very low	150 Å²	150	146 Å²	146	80%	0.802	83%	0.828	S	S	*	*			trans	-118.5	165.4	165.3	-152.5	-8.7	0	0	0	110.3	L654	D652-L654 PolarHBondContact O-N 3.26Å
653	L	29.4	Very low	27.1	Very low	152 Å²	152	146.5 Å²	146.5	80%	0.796	83%	0.825	S	S	*	*			trans	-63.6	118.3	-162.8	-70.4	144.8	0	0	0	114.6
654	L	25.8	Very low	27.5	Very low	173 Å²	173	145.6 Å²	145.6	91%	0.906	83%	0.828	S	S	*	*			trans	-137.5	110.9	140.7	-83.5	-177.9	0	0	0	110.1	D652	D652-L654 PolarHBondContact O-N 3.26Å
655	C	25.8	Very low	27.2	Very low	120 Å²	120	142.5 Å²	142.5	81%	0.811	83%	0.828	S	S	*	*			trans	-91.3	139.1	165.6	-165.5	0	0	0	0	108.6
656	C	24.9	Very low	27.1	Very low	114 Å²	114	140.4 Å²	140.4	77%	0.77	82%	0.824	S	S	*	*			trans	-70.9	144.9	-176.9	-57.7	0	0	0	0	112.1
657	C	25.1	Very low	26.9	Very low	127 Å²	127	138.7 Å²	138.7	86%	0.858	82%	0.824	S	S	*	*			trans	-120.5	143.7	153.8	-70.1	0	0	0	0	106.9
658	D	25.2	Very low	26.7	Very low	162 Å²	162	137.3 Å²	137.3	87%	0.866	82%	0.824	S	S	*	*			trans	-79.5	172.3	-160.2	-73.9	-54.4	0	0	0	116.4
659	D	26.8	Very low	26.4	Very low	167 Å²	167	141.3 Å²	141.3	89%	0.893	82%	0.821	S	S	*	*			trans	-48	147.6	-171.4	-82.2	-53.8	0	0	0	118.8
660	G	25.9	Very low	26.4	Very low	68 Å²	68	143.5 Å²	143.5	70%	0.701	83%	0.825	S	S	*	*			trans	123.7	151.5	137.1	0	0	0	0	0	117.1
661	L	27.2	Very low	26.2	Very low	157 Å²	157	138 Å²	138	82%	0.822	82%	0.818	S	S	*	*			cis	-166.3	156.3	-14.6	-125.5	178.2	0	0	0	108.9
662	L	26.7	Very low	26	Very low	157 Å²	157	131.2 Å²	131.2	82%	0.822	82%	0.816	S	S	*	*			trans	73.2	125.8	165.3	-55.7	175.7	0	0	0	121
663	S	23.4	Very low	25.9	Very low	111 Å²	111	129.8 Å²	129.8	78%	0.776	82%	0.816	S	S	*	*			trans	-87.2	-166.6	162.7	-15.4	0	0	0	0	111.1
664	P	35.4	Very low	25.8	Very low	129 Å²	129	127.5 Å²	127.5	84%	0.838	81%	0.813	S	S	*	*			cis	-135.9	170.8	-37.9	35.3	-18.7	0	0	0	114.4
665	G	23.3	Very low	25.8	Very low	70 Å²	70	124.4 Å²	124.4	72%	0.722	81%	0.806	S	S	*	*				127.5	147.1	126.7	0	0	0	0	0	122.8
666	V	25.3	Very low	25.7	Very low	141 Å²	141	124.4 Å²	124.4	86%	0.855	81%	0.807	S	S	*	*			trans	86.4	97.8	138	-175.7	0	0	0	0	120.8
667	V	23.3	Very low	25.6	Very low	122 Å²	122	124.8 Å²	124.8	74%	0.739	81%	0.811	S	S	*	*			trans	86.8	94.3	135.2	177.3	0	0	0	0	122
668	C	23.9	Very low	25.6	Very low	113 Å²	113	124.3 Å²	124.3	76%	0.764	81%	0.809	S	S	*	*				26.1	137.9	119.2	-43.6	0	0	0	0	122.5
669	K	25.6	Very low	25.5	Very low	194 Å²	194	122.4 Å²	122.4	84%	0.843	81%	0.808	S	S	*	*				-168.4	160.5	106.8	-111.7	173.7	-178.5	175.5	0	115.5
670	T	26.8	Very low	25.6	Very low	147 Å²	147	125.9 Å²	125.9	90%	0.902	81%	0.809	S	S	*	*			trans	64.2	140.2	173.3	58.1	0	0	0	0	117.8
671	G	25.4	Very low	25.5	Very low	73 Å²	73	130.2 Å²	130.2	75%	0.753	82%	0.816	S	S	*	*			cis	169.1	163.5	-9.7	0	0	0	0	0	114.1
672	A	24	Very low	25.6	Very low	108 Å²	108	133 Å²	133	89%	0.893	82%	0.816	S	S	*	*			trans	83.9	90.7	170.3	0	0	0	0	0	120.3
673	C	25.4	Very low	25.6	Very low	121 Å²	121	131.6 Å²	131.6	82%	0.818	81%	0.814	S	S	*	*			trans	-54.8	176	150.8	-57.9	0	0	0	0	114
674	S	26.5	Very low	25.8	Very low	103 Å²	103	134.1 Å²	134.1	72%	0.72	81%	0.813	S	S	*	*			cis	-179.6	-176.3	-21.6	-84.9	0	0	0	0	109.3
675	S	25.3	Very low	25.3	Very low	108 Å²	108	135.1 Å²	135.1	76%	0.755	81%	0.811	S	S	*	*			trans	100.4	91	143.6	-54.2	0	0	0	0	120.4
676	S	24.6	Very low	25.4	Very low	120 Å²	120	135.4 Å²	135.4	84%	0.839	81%	0.814	S	S	*	*				3.4	146.8	127.2	59.3	0	0	0	0	121.3
677	S	22.9	Very low	25.3	Very low	122 Å²	122	138.1 Å²	138.1	85%	0.853	82%	0.817	S	S	*	*			trans	-128.9	138.1	152.3	61.4	0	0	0	0	111.2
678	S	25.1	Very low	25.5	Very low	118 Å²	118	140.7 Å²	140.7	83%	0.825	82%	0.819	S	S	*	*			trans	-135	153.3	175.5	63	0	0	0	0	111.4
679	S	22.5	Very low	25.6	Very low	121 Å²	121	140.3 Å²	140.3	85%	0.846	82%	0.823	S	S	*	*			trans	-138.5	162.3	163.8	68.1	0	0	0	0	110.1
680	R	29.7	Very low	25.5	Very low	241 Å²	241	136.5 Å²	136.5	91%	0.909	82%	0.821	S	S	*	*			trans	-136.2	143.2	-177.2	-57.9	162.8	77.4	176.4	7.8	107.3
681	D	24	Very low	25.5	Very low	158 Å²	158	135.4 Å²	135.4	85%	0.845	82%	0.817	S	S	*	*			trans	-153.7	176.3	141.6	-134.9	-34.9	0	0	0	112.9
682	R	28.4	Very low	25.5	Very low	217 Å²	217	143.9 Å²	143.9	82%	0.819	83%	0.826	S	S	*	*			trans	-107.4	145.1	-167.7	-62.6	160.8	153.7	154.7	-11.3	112.6
683	T	26.6	Very low	25.4	Very low	127 Å²	127	141.8 Å²	141.8	78%	0.779	82%	0.815	S	S	*	*				162.1	136.7	107.4	40.8	0	0	0	0	114.8
684	H	28	Very low	25.4	Very low	164 Å²	164	141.7 Å²	141.7	76%	0.759	82%	0.816	S	S	*	*			trans	43.2	132.9	143.9	-85.9	-83.1	0	0	0	126.3
685	N	25.3	Very low	25.6	Very low	150 Å²	150	142.1 Å²	142.1	80%	0.802	82%	0.816	S	S	*	*			trans	94.3	130.9	140.9	-64.1	-8.9	0	0	0	121.9
686	G	25	Very low	25.6	Very low	75 Å²	75	143 Å²	143	77%	0.773	82%	0.823	S	S	*	*			trans	81.4	142.7	160.2	0	0	0	0	0	116.8
687	E	24.3	Very low	25.6	Very low	199 Å²	199	143.1 Å²	143.1	93%	0.93	82%	0.823	S	S	*	*			cis	-148.4	171.3	-15.2	-83.1	-160	104.8	0	0	109.6
688	K	26	Very low	25.8	Very low	176 Å²	176	142.2 Å²	142.2	77%	0.765	82%	0.817	S	S	*	*			trans	-82.9	131.6	176.6	-72.5	174.2	177.2	169.9	0	111.9	H634	H634-K688 PolarHBondContact NE2-NZ 2.96Å
689	A	26.2	Very low	25.8	Very low	104 Å²	104	141.2 Å²	141.2	86%	0.86	81%	0.808	S	S	*	*			trans	-147.4	141.7	151.4	0	0	0	0	0	110.8
690	S	24.1	Very low	26	Very low	115 Å²	115	144.1 Å²	144.1	80%	0.804	81%	0.811	S	S	*	*			trans	-141.4	126.2	175.3	175.8	0	0	0	0	109.5
691	P	27.4	Very low	25.8	Very low	124 Å²	124	138 Å²	138	81%	0.805	80%	0.796	S	S	*	*			trans	-86.6	132.6	177.4	32.8	-31.5	0	0	0	111.8
692	R	24.3	Very low	26	Very low	250 Å²	250	133.7 Å²	133.7	94%	0.943	78%	0.778	S	S	*	*			trans	-80.7	135.9	165.2	-80.3	175.7	163.7	177.8	-6.4	110.5
693	G	21.8	Very low	26	Very low	64 Å²	64	127.5 Å²	127.5	66%	0.66	77%	0.766	S	S	*	*				62.3	109.6	121	0	0	0	0	0	120.4
694	S	24.7	Very low	26.4	Very low	120 Å²	120	123.6 Å²	123.6	84%	0.839	74%	0.74	S	S	*	*			trans	77.8	158.4	141.7	-52	0	0	0	0	118.5
695	P	31.2	Very low	26.6	Very low	111 Å²	111	118.3 Å²	118.3	72%	0.721	72%	0.721	S	S	*	*			cis	-136.1	132.4	-45.2	35	-20.2	0	0	0	112.8
696	S	26.4	Very low	27.2	Very low	128 Å²	128	117.1 Å²	117.1	90%	0.895	72%	0.715	S	S	*	*			trans	177.6	94.1	152.9	-85.1	0	0	0	0	110.3
697	S	24.4	Very low	28	Very low	121 Å²	121	115.8 Å²	115.8	85%	0.846	69%	0.69	S	S	*	*			trans	-112.9	78	163.7	59.6	0	0	0	0	108.9	C699	S697-C699 VanDerWaalsContact C-N 3.33Å; S697-C699 PolarHBondContact O-N 3.39Å
698	S	25.9	Very low	29	Very low	103 Å²	103	108.9 Å²	108.9	72%	0.72	66%	0.658	S	S	*	*			trans	-59.7	99.1	162.1	52.4	0	0	0	0	107.8	M700	S698-M700 PolarHBondContact O-N 2.95Å
699	C	24.9	Very low	29.7	Very low	97 Å²	97	102.9 Å²	102.9	66%	0.655	64%	0.641	S	S	*	*			trans	-61.4	125.1	176.3	-168.9	0	0	0	0	108.2	S697 L701	S697-C699 VanDerWaalsContact C-N 3.33Å; S697-C699 PolarHBondContact O-N 3.39Å; C699-L701 HydrophobicContact CB-CD2 4.38Å; C699-L701 HydrophobicContact CB-CG 4.27Å; C699-L701 PolarHBondContact O-N 3.43Å
700	M	28.4	Very low	30.4	Very low	182 Å²	182	102.3 Å²	102.3	90%	0.897	62%	0.621	S	S	*	*			trans	-77.2	70.5	179	-67.7	-74.9	-91.2	0	0	109.3	S698	S698-M700 PolarHBondContact O-N 2.95Å
701	L	25.3	Very low	31.8	Very low	114 Å²	114	97.8 Å²	97.8	60%	0.597	59%	0.587	S	S	*	*			trans	-65.3	145.6	175.5	-62.5	176.9	0	0	0	110.2	C699	C699-L701 HydrophobicContact CB-CD2 4.38Å; C699-L701 HydrophobicContact CB-CG 4.27Å; C699-L701 PolarHBondContact O-N 3.43Å
702	S	27.4	Very low	32.9	Very low	66 Å²	66	92.9 Å²	92.9	46%	0.462	55%	0.553	S	S	.	*			trans	-61.3	132.8	177.7	38.1	0	0	0	0	111.1	I704 S705	S702-I704 PolarHBondContact O-N 2.91Å; S702-S705 PolarHBondContact O-N 3.06Å; S702-S705 PolarHBondContact OG-OG 3.27Å
703	P	28.1	Very low	34	Very low	88 Å²	88	86.8 Å²	86.8	57%	0.571	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-2.9	-169.4	-27.1	35.3	0	0	0	117.8	W463	W463-P703 HydrophobicContact CZ2-CG 4.21Å
704	I	35.7	Very low	34.8	Very low	44 Å²	44	86.8 Å²	86.8	23%	0.226	51%	0.514	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-28.5	-171.5	-62.6	169.4	0	0	0	111.3	I452 V466 S702 N706 L707	I452-I704 HydrophobicContact CD1-CD1 3.89Å; I452-I704 HydrophobicContact CG2-CD1 4.13Å; V466-I704 HydrophobicContact CG2-CD1 4.38Å; V466-I704 HydrophobicContact CG2-CG1 4.48Å; S702-I704 PolarHBondContact O-N 2.91Å; I704-N706 PolarHBondContact O-N 3.18Å; I704-L707 PolarHBondContact O-N 2.96Å
705	S	30.9	Very low	35.6	Very low	53 Å²	53	82.7 Å²	82.7	37%	0.371	49%	0.485	S	S	.	.	H	α-helix	trans	-66.1	-37.7	-168.4	-52	0	0	0	0	114	S702	S702-S705 PolarHBondContact O-N 3.06Å; S702-S705 PolarHBondContact OG-OG 3.27Å
706	N	38.6	Very low	36	Very low	126 Å²	126	79 Å²	79	67%	0.674	46%	0.459	S	S	*	.	H	α-helix	trans	-81.6	-21.1	179.3	-74.8	25.9	0	0	0	113.3	I704 M708	I704-N706 PolarHBondContact O-N 3.18Å; N706-M708 VanDerWaalsContact C-N 3.31Å
707	L	41	Very low	36.4	Very low	47 Å²	47	79.9 Å²	79.9	25%	0.246	45%	0.449	C	S	.	.	H	α-helix	trans	-70.7	-27.7	176.9	-85.1	167.2	0	0	0	112.1	F533 I704 A709 E710 F711	F533-L707 HydrophobicContact CD2-CD2 4.05Å; F533-L707 HydrophobicContact CE2-CD1 3.96Å; F533-L707 HydrophobicContact CE2-CD2 4.03Å; I704-L707 PolarHBondContact O-N 2.96Å; L707-A709 PolarHBondContact O-N 2.93Å; L707-E710 PolarHBondContact O-N 3.32Å; L707-E710 VanDerWaalsContact O-N 3.08Å; L707-F711 HydrophobicContact CB-CD2 4.49Å; L707-F711 HydrophobicContact CB-CE1 3.96Å; L707-F711 HydrophobicContact CB-CE2 3.86Å; L707-F711 HydrophobicContact CB-CZ 3.58Å; L707-F711 HydrophobicContact CD1-CZ 4.14Å; L707-F711 HydrophobicContact CD2-CE1 3.95Å; L707-F711 HydrophobicContact CD2-CZ 4.19Å; L707-F711 HydrophobicContact CG-CE1 4.42Å; L707-F711 HydrophobicContact CG-CZ 4.19Å; L707-F711 WeakPolarHBondContact O-CD1 3.4Å; L707-F711 WeakPolarHBondContact O-CG 3.49Å; L707-F711 PolarHBondContact O-N 3.47Å
708	M	46	Very low	36.6	Very low	54 Å²	54	80.7 Å²	80.7	27%	0.266	44%	0.439	S	S	.	.	H	α-helix	trans	-60.1	-45.5	-176	-72.8	161.6	43.1	0	0	113.3	W441 N706 E710 F711 E712	W441-M708 HydrophobicContact CH2-CE 3.73Å; W441-M708 HydrophobicContact CH2-CG 4.01Å; W441-M708 HydrophobicContact CH2-SD 3.87Å; W441-M708 HydrophobicContact CZ2-CE 3.78Å; W441-M708 HydrophobicContact CZ2-CG 4.29Å; W441-M708 HydrophobicContact CZ2-SD 3.63Å; N706-M708 VanDerWaalsContact C-N 3.31Å; M708-E710 PolarHBondContact O-N 3.13Å; M708-F711 WeakPolarHBondContact O-CB 3.44Å; M708-F711 PolarHBondContact O-N 3.18Å; M708-E712 PolarHBondContact O-N 2.89Å; M708-E712 VanDerWaalsContact O-N 3.08Å
709	A	41.8	Very low	36.7	Very low	49 Å²	49	79.2 Å²	79.2	41%	0.405	43%	0.427	S	S	.	.	H	α-helix	trans	-66.4	-22.1	176.9	0	0	0	0	0	113	L707 R713	L707-A709 PolarHBondContact O-N 2.93Å; A709-R713 WeakPolarHBondContact O-CG 3.39Å; A709-R713 PolarHBondContact O-NE 3.22Å
710	E	40.8	Very low	36.9	Very low	92 Å²	92	79.8 Å²	79.8	43%	0.43	44%	0.438	S	S	.	.	H	α-helix	trans	-80.3	-37.2	168.7	-65.8	-170.7	156.3	0	0	112.1	L707 M708 E712 R713 M714	L707-E710 PolarHBondContact O-N 3.32Å; L707-E710 VanDerWaalsContact O-N 3.08Å; M708-E710 PolarHBondContact O-N 3.13Å; E710-E712 PolarHBondContact O-N 2.92Å; E710-R713 PolarHBondContact O-N 3.19Å; E710-M714 HydrophobicContact CB-CE 4.41Å; E710-M714 WeakPolarHBondContact O-CB 3.39Å; E710-M714 WeakPolarHBondContact O-CG 3.29Å; E710-M714 PolarHBondContact O-N 3.27Å
711	F	52.8	Low	36.9	Very low	21 Å²	21	77.5 Å²	77.5	9%	0.092	43%	0.43	C	S	.	.	H	α-helix	trans	-61.3	-42.9	177.9	-61.7	-22	0	0	0	112.7	F469 F533 L707 M708 M714 S715	F469-F711 HydrophobicContact CD1-CE1 4.28Å; F469-F711 HydrophobicContact CD1-CE2 4.47Å; F469-F711 HydrophobicContact CD1-CZ 4.2Å; F469-F711 AromaticContact CE1-CD1 3.5Å; F469-F711 HydrophobicContact CE1-CD1 3.5Å; F469-F711 VanDerWaalsContact CE1-CD1 3.5Å; F469-F711 HydrophobicContact CE1-CD2 4.24Å; F469-F711 AromaticContact CE1-CE1 3.44Å; F469-F711 HydrophobicContact CE1-CE1 3.44Å; F469-F711 VanDerWaalsContact CE1-CE1 3.44Å; F469-F711 HydrophobicContact CE1-CE2 4.19Å; F469-F711 AromaticContact CE1-CG 3.9Å; F469-F711 HydrophobicContact CE1-CG 3.9Å; F469-F711 AromaticContact CE1-CZ 3.78Å; F469-F711 HydrophobicContact CE1-CZ 3.78Å; F469-F711 HydrophobicContact CZ-CB 4.08Å; F469-F711 AromaticContact CZ-CD1 3.66Å; F469-F711 HydrophobicContact CZ-CD1 3.66Å; F469-F711 HydrophobicContact CZ-CD2 4.4Å; F469-F711 HydrophobicContact CZ-CE1 4.11Å; F469-F711 AromaticContact CZ-CG 3.81Å; F469-F711 HydrophobicContact CZ-CG 3.81Å; F533-F711 HydrophobicContact CB-CE1 4.14Å; F533-F711 HydrophobicContact CD1-CE1 4.36Å; F533-F711 AromaticContact CD2-CE1 3.63Å; F533-F711 HydrophobicContact CD2-CE1 3.63Å; F533-F711 HydrophobicContact CD2-CZ 4.13Å; F533-F711 HydrophobicContact CE2-CE1 4.07Å; F533-F711 HydrophobicContact CE2-CZ 4.1Å; F533-F711 AromaticContact CG-CE1 3.8Å; F533-F711 HydrophobicContact CG-CE1 3.8Å; F533-F711 HydrophobicContact CG-CZ 4.41Å; F533-F711 HydrophobicContact CZ-CZ 4.34Å; L707-F711 HydrophobicContact CB-CD2 4.49Å; L707-F711 HydrophobicContact CB-CE1 3.96Å; L707-F711 HydrophobicContact CB-CE2 3.86Å; L707-F711 HydrophobicContact CB-CZ 3.58Å; L707-F711 HydrophobicContact CD1-CZ 4.14Å; L707-F711 HydrophobicContact CD2-CE1 3.95Å; L707-F711 HydrophobicContact CD2-CZ 4.19Å; L707-F711 HydrophobicContact CG-CE1 4.42Å; L707-F711 HydrophobicContact CG-CZ 4.19Å; L707-F711 WeakPolarHBondContact O-CD1 3.4Å; L707-F711 WeakPolarHBondContact O-CG 3.49Å; L707-F711 PolarHBondContact O-N 3.47Å; M708-F711 WeakPolarHBondContact O-CB 3.44Å; M708-F711 PolarHBondContact O-N 3.18Å; F711-M714 HydrophobicContact CD1-CE 4.08Å; F711-S715 PolarHBondContact O-N 2.77Å; F711-S715 PolarHBondContact O-OG 3.28Å
712	E	50.2	Low	36.8	Very low	21 Å²	21	77.2 Å²	77.2	10%	0.098	44%	0.437	C	S	.	.	H	α-helix	trans	-68.7	-44.9	178.6	-75.8	162.6	162.6	0	0	111.3	P443 M708 E710 M714 S715	P443-E712 WeakPolarHBondContact CG-OE1 3.38Å; M708-E712 PolarHBondContact O-N 2.89Å; M708-E712 VanDerWaalsContact O-N 3.08Å; E710-E712 PolarHBondContact O-N 2.92Å; E712-M714 VanDerWaalsContact C-N 3.34Å; E712-M714 PolarHBondContact O-N 3.2Å; E712-S715 WeakPolarHBondContact O-CB 3.47Å; E712-S715 PolarHBondContact O-N 2.82Å
713	R	46.6	Very low	36.8	Very low	122 Å²	122	80.2 Å²	80.2	46%	0.46	46%	0.455	S	S	.	.	H	α-helix	trans	-60.1	-38.1	174.8	-73.1	-178.9	-66.1	-173.4	4.4	113.4	A709 E710 S715 L716	A709-R713 WeakPolarHBondContact O-CG 3.39Å; A709-R713 PolarHBondContact O-NE 3.22Å; E710-R713 PolarHBondContact O-N 3.19Å; R713-S715 VanDerWaalsContact C-N 3.25Å; R713-S715 PolarHBondContact O-N 3.17Å; R713-L716 PolarHBondContact O-N 3.36Å
714	M	39.8	Very low	36.7	Very low	64 Å²	64	80.9 Å²	80.9	32%	0.315	47%	0.469	S	S	.	.	H	α-helix	trans	-71.1	-18.1	175.1	-70.7	-173	-63.7	0	0	113.8	F533 E710 F711 E712 L716	F533-M714 HydrophobicContact CB-CE 4.32Å; F533-M714 WeakPolarHBondContact O-CE 3.42Å; E710-M714 HydrophobicContact CB-CE 4.41Å; E710-M714 WeakPolarHBondContact O-CB 3.39Å; E710-M714 WeakPolarHBondContact O-CG 3.29Å; E710-M714 PolarHBondContact O-N 3.27Å; F711-M714 HydrophobicContact CD1-CE 4.08Å; E712-M714 VanDerWaalsContact C-N 3.34Å; E712-M714 PolarHBondContact O-N 3.2Å; M714-L716 VanDerWaalsContact C-N 3.33Å
715	S	41.4	Very low	36.2	Very low	34 Å²	34	82.3 Å²	82.3	24%	0.238	49%	0.494	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-4.1	179.6	-56.2	0	0	0	0	113.9	P472 F711 E712 R713	P472-S715 VanDerWaalsContact CD-OG 3.29Å; P472-S715 WeakPolarHBondContact CD-OG 3.45Å; F711-S715 PolarHBondContact O-N 2.77Å; F711-S715 PolarHBondContact O-OG 3.28Å; E712-S715 WeakPolarHBondContact O-CB 3.47Å; E712-S715 PolarHBondContact O-N 2.82Å; R713-S715 VanDerWaalsContact C-N 3.25Å; R713-S715 PolarHBondContact O-N 3.17Å
716	L	39.8	Very low	35.9	Very low	34 Å²	34	90.7 Å²	90.7	18%	0.178	52%	0.519	C	S	.	.	S	Bend	trans	-100.1	-12.9	-172.6	-74.7	162.2	0	0	0	114.2	V376 R713 M714 E718	V376-L716 HydrophobicContact CG2-CD2 4.17Å; R713-L716 PolarHBondContact O-N 3.36Å; M714-L716 VanDerWaalsContact C-N 3.33Å; L716-E718 PolarHBondContact O-N 3.42Å; L716-E718 VanDerWaalsContact O-N 3.17Å
717	H	33.5	Very low	35.2	Very low	146 Å²	146	96.5 Å²	96.5	68%	0.676	53%	0.531	S	S	*	.			trans	-88	68.8	178.9	-69.3	-44.6	0	0	0	113.1	P719	H717-P719 WeakPolarHBondContact O-CD 3.49Å
718	E	29.1	Very low	34.4	Very low	138 Å²	138	100.2 Å²	100.2	65%	0.645	55%	0.548	S	S	*	.			trans	-73.9	119.9	153.7	-111.9	-166.2	167.4	0	0	108.6	R412 L716	R412-E718 IonicContact CZ-OE2 3.91Å; R412-E718 IonicContact NH1-OE2 3.52Å; R412-E718 IonicContact NH2-OE2 2.85Å; R412-E718 PolarHBondContact NH2-OE2 3.49Å; L716-E718 PolarHBondContact O-N 3.42Å; L716-E718 VanDerWaalsContact O-N 3.17Å
719	P	28.9	Very low	33.4	Very low	72 Å²	72	109.4 Å²	109.4	47%	0.468	58%	0.579	S	S	.	*			trans	-73.2	132	174.4	29.7	-33	0	0	0	110.3	H717 D721	H717-P719 WeakPolarHBondContact O-CD 3.49Å; P719-D721 PolarHBondContact O-N 3.17Å
720	A	28.7	Very low	32.7	Very low	108 Å²	108	116.8 Å²	116.8	89%	0.893	60%	0.597	S	S	*	*			trans	-76.6	48.6	-179	0	0	0	0	0	113.6	S722	A720-S722 PolarHBondContact O-N 3.14Å
721	D	27.6	Very low	31.9	Very low	134 Å²	134	118.5 Å²	118.5	72%	0.717	62%	0.619	S	S	*	*			trans	-96.3	86.4	-178.3	-84.5	-47.6	0	0	0	112	P719	P719-D721 PolarHBondContact O-N 3.17Å
722	S	24	Very low	30.5	Very low	108 Å²	108	121.2 Å²	121.2	76%	0.755	65%	0.653	S	S	*	*	S	Bend	trans	-148.1	129.2	156.1	-82	0	0	0	0	109.6	A720 A724	A720-S722 PolarHBondContact O-N 3.14Å; S722-A724 PolarHBondContact O-N 3.13Å
723	P	27.8	Very low	29.2	Very low	129 Å²	129	126.2 Å²	126.2	84%	0.838	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-69.9	130.9	-160.8	25.7	-34.7	0	0	0	113	G725	P723-G725 PolarHBondContact O-N 3.07Å
724	A	24.8	Very low	28.3	Very low	103 Å²	103	132.3 Å²	132.3	85%	0.851	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-58.6	121	179.3	0	0	0	0	0	111.9	S722 Y726	S722-A724 PolarHBondContact O-N 3.13Å; A724-Y726 PolarHBondContact O-N 3.17Å
725	G	25	Very low	27.6	Very low	73 Å²	73	135.5 Å²	135.5	75%	0.753	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-57.8	120.8	-176.3	0	0	0	0	0	113.4	P723 R727	P723-G725 PolarHBondContact O-N 3.07Å; G725-R727 PolarHBondContact O-N 3.16Å
726	Y	24.9	Very low	27	Very low	230 Å²	230	143.3 Å²	143.3	90%	0.902	76%	0.756	S	S	*	*			trans	-41.7	120.9	177.1	-137.4	-105.4	0	0	0	112.4	A724	A724-Y726 PolarHBondContact O-N 3.17Å
727	R	25.1	Very low	26.3	Very low	247 Å²	247	148.9 Å²	148.9	93%	0.932	78%	0.781	S	S	*	*			trans	-112.1	113.1	162.4	-81.3	-161.9	171.6	-155.4	-1.8	110.8	G725	G725-R727 PolarHBondContact O-N 3.16Å
728	E	24.1	Very low	26	Very low	126 Å²	126	149.6 Å²	149.6	59%	0.589	78%	0.782	S	S	*	*			trans	-56.6	128	-174.6	-170.2	-175.8	155.1	0	0	112.6	R730	E728-R730 HydrophobicContact CG-CG 4.41Å; E728-R730 PolarHBondContact O-N 3.05Å; E728-R730 IonicContact OE1-CZ 3.18Å; E728-R730 IonicContact OE1-NE 2.7Å; E728-R730 PolarHBondContact OE1-NE 3.37Å; E728-R730 IonicContact OE1-NH2 2.77Å; E728-R730 PolarHBondContact OE1-NH2 2.89Å; E728-R730 IonicContact OE2-NH2 3.82Å
729	R	24.6	Very low	25.9	Very low	246 Å²	246	149.4 Å²	149.4	93%	0.928	79%	0.785	S	S	*	*			trans	-69.8	113.7	165.6	-73.9	-177.6	177.9	177.7	0.3	109
730	R	27.1	Very low	25.7	Very low	204 Å²	204	149.9 Å²	149.9	77%	0.77	80%	0.803	S	S	*	*			trans	-110.2	119.3	157.3	-69.8	-162.2	178.3	-162.7	-0.5	110.9	E728	E728-R730 HydrophobicContact CG-CG 4.41Å; E728-R730 PolarHBondContact O-N 3.05Å; E728-R730 IonicContact OE1-CZ 3.18Å; E728-R730 IonicContact OE1-NE 2.7Å; E728-R730 PolarHBondContact OE1-NE 3.37Å; E728-R730 IonicContact OE1-NH2 2.77Å; E728-R730 PolarHBondContact OE1-NH2 2.89Å; E728-R730 IonicContact OE2-NH2 3.82Å
731	S	23.3	Very low	25.7	Very low	128 Å²	128	156 Å²	156	90%	0.895	80%	0.803	S	S	*	*			trans	-73.2	123.7	176.2	34.3	0	0	0	0	110.6
732	G	24.7	Very low	25.6	Very low	79 Å²	79	155.8 Å²	155.8	81%	0.814	80%	0.802	S	S	*	*			trans	-131.4	73.9	178.1	0	0	0	0	0	111.2	R734	G732-R734 PolarHBondContact O-N 3.23Å
733	S	23.3	Very low	25.8	Very low	125 Å²	125	155.8 Å²	155.8	87%	0.874	80%	0.802	S	S	*	*			trans	-76.7	114.3	-179.7	-175.2	0	0	0	0	111.4
734	R	26	Very low	25.7	Very low	251 Å²	251	155.4 Å²	155.4	95%	0.947	80%	0.801	S	S	*	*			trans	-149.7	163	157	-126	177	-178.2	-173.7	-0.5	111.8	G732	G732-R734 PolarHBondContact O-N 3.23Å
735	N	25.7	Very low	25.6	Very low	131 Å²	131	156.3 Å²	156.3	70%	0.701	80%	0.801	S	S	*	*			trans	-126.5	141.2	-145.8	-152.1	1.8	0	0	0	112.2
736	R	28	Very low	25.6	Very low	198 Å²	198	157.2 Å²	157.2	75%	0.747	80%	0.796	S	S	*	*			trans	69.3	143.4	153.9	-78.6	171.2	-169.2	-149.7	4	122.7
737	H	26.4	Very low	25.6	Very low	151 Å²	151	155.3 Å²	155.3	70%	0.699	79%	0.793	S	S	*	*			trans	82.3	102.1	141.1	-73.5	-44.9	0	0	0	123.3
738	K	27.9	Very low	25.7	Very low	160 Å²	160	148.8 Å²	148.8	70%	0.696	79%	0.785	S	S	*	*				93.3	142.1	102.9	-148.3	-167.5	177	-83.2	0	119.8
739	D	26.6	Very low	25.8	Very low	135 Å²	135	146.3 Å²	146.3	72%	0.722	79%	0.786	S	S	*	*			trans	64.4	154.8	165.9	-57.5	-35.5	0	0	0	119
740	G	24.7	Very low	25.8	Very low	82 Å²	82	140.9 Å²	140.9	85%	0.845	78%	0.781	S	S	*	*			trans	138.9	74.5	159.2	0	0	0	0	0	118.8
741	R	28.2	Very low	25.7	Very low	235 Å²	235	137.5 Å²	137.5	89%	0.887	78%	0.778	S	S	*	*			trans	-44	158.4	169.3	-99.6	177.3	171.3	162.2	-5.1	118.4
742	N	25.8	Very low	25.9	Very low	131 Å²	131	137.9 Å²	137.9	70%	0.701	77%	0.769	S	S	*	*			trans	86.6	114.6	140.3	-72.6	14.3	0	0	0	123.2
743	S	28	Very low	25.9	Very low	107 Å²	107	138.6 Å²	138.6	75%	0.748	76%	0.762	S	S	*	*				80.8	133.4	118.4	-55.3	0	0	0	0	123.7
744	C	24.5	Very low	26	Very low	122 Å²	122	138.6 Å²	138.6	82%	0.824	76%	0.762	S	S	*	*			trans	-25.8	146.2	163.3	-46.8	0	0	0	0	118.5
745	S	24.4	Very low	26	Very low	122 Å²	122	129.9 Å²	129.9	85%	0.853	75%	0.75	S	S	*	*				179.2	162.7	90.2	45.8	0	0	0	0	115.9
746	S	24.4	Very low	26.1	Very low	92 Å²	92	131.4 Å²	131.4	64%	0.643	76%	0.757	S	S	*	*			trans	-64.1	-179.8	-171.8	-43.1	0	0	0	0	119.3
747	F	25.6	Very low	26.2	Very low	190 Å²	190	129.1 Å²	129.1	83%	0.833	76%	0.76	S	S	*	*			trans	78.8	122.8	162.1	-58.5	-59.8	0	0	0	116
748	S	26	Very low	26.1	Very low	109 Å²	109	132.1 Å²	132.1	76%	0.762	77%	0.765	S	S	*	*				74.7	142.1	69.6	94.9	0	0	0	0	112.8
749	A	26.1	Very low	26.1	Very low	75 Å²	75	131.7 Å²	131.7	62%	0.62	77%	0.769	S	S	*	*			cis	-167.1	179.4	-11.3	0	0	0	0	0	107.8
750	T	25.8	Very low	26	Very low	132 Å²	132	130.2 Å²	130.2	81%	0.81	77%	0.77	S	S	*	*			trans	63.7	155.6	156.8	38.4	0	0	0	0	117.3
751	D	25	Very low	26.1	Very low	132 Å²	132	133.1 Å²	133.1	71%	0.706	77%	0.765	S	S	*	*			cis	-159.9	-175.6	-14.6	-141.5	-38.2	0	0	0	111.1
752	L	26.3	Very low	25.9	Very low	137 Å²	137	132 Å²	132	72%	0.717	76%	0.761	S	S	*	*			trans	63.1	95.8	144	-72.8	169.5	0	0	0	122.8
753	S	24.9	Very low	26	Very low	94 Å²	94	131.8 Å²	131.8	66%	0.657	76%	0.756	S	S	*	*				68.7	152.2	110.2	79.2	0	0	0	0	124.9
754	S	26.8	Very low	25.9	Very low	125 Å²	125	133.4 Å²	133.4	87%	0.874	76%	0.756	S	S	*	*			trans	72.7	148.5	164.8	79.6	0	0	0	0	118.1
755	G	25.2	Very low	26	Very low	68 Å²	68	130.9 Å²	130.9	70%	0.701	75%	0.751	S	S	*	*			cis	173	149.4	-11.1	0	0	0	0	0	115.3
756	L	27.9	Very low	26.2	Very low	162 Å²	162	136 Å²	136	85%	0.848	75%	0.751	S	S	*	*			trans	56.3	112	160.2	-63.3	172	0	0	0	120.8
757	N	28.7	Very low	26.5	Very low	150 Å²	150	137.9 Å²	137.9	80%	0.802	75%	0.754	S	S	*	*				171.5	161.6	111.4	-89.8	-56.5	0	0	0	110.3
758	R	26	Very low	26.6	Very low	214 Å²	214	140.6 Å²	140.6	81%	0.808	76%	0.759	S	S	*	*			cis	-178.3	156.8	-38.1	178.8	172.6	-175.5	-166.6	2.3	106.6
759	L	27.7	Very low	26.8	Very low	151 Å²	151	139.3 Å²	139.3	79%	0.791	76%	0.755	S	S	*	*			trans	93.6	114.1	-177.4	-54.5	167.5	0	0	0	111.6
760	S	25.1	Very low	27	Very low	105 Å²	105	144.5 Å²	144.5	73%	0.734	77%	0.766	S	S	*	*				69.9	133.3	57.4	-53.8	0	0	0	0	111.8
761	L	25.9	Very low	27.1	Very low	143 Å²	143	143.2 Å²	143.2	75%	0.749	76%	0.763	S	S	*	*			cis	-159.9	129.2	37.5	-175.3	71.9	0	0	0	113.9
762	R	24.8	Very low	27.3	Very low	211 Å²	211	141.6 Å²	141.6	80%	0.796	76%	0.762	S	S	*	*			trans	63.2	159.5	152.7	-74.5	-174	167.8	-165.8	-7.1	119.9
763	Q	27.8	Very low	27.3	Very low	126 Å²	126	140.1 Å²	140.1	59%	0.589	76%	0.763	S	S	*	*			cis	-167.3	158	-22	176.8	162.7	-0.9	0	0	110.1
764	D	25.7	Very low	27.4	Very low	142 Å²	142	141.5 Å²	141.5	76%	0.759	77%	0.773	S	S	*	*			trans	0.9	145.5	163.6	-40.6	-33.1	0	0	0	120.3
765	G	26.1	Very low	27.3	Very low	69 Å²	69	139.4 Å²	139.4	71%	0.711	77%	0.771	S	S	*	*			cis	140.5	165.3	0.3	0	0	0	0	0	113.4
766	R	28.8	Very low	27.3	Very low	230 Å²	230	141.1 Å²	141.1	87%	0.868	77%	0.772	S	S	*	*			trans	85.3	126.3	166.7	-60.5	-167.1	-169.1	-160.6	3.9	121.6
767	D	30.1	Very low	27.4	Very low	131 Å²	131	137.7 Å²	137.7	70%	0.701	76%	0.762	S	S	*	*				67.8	102.6	125.3	-52.8	-18.4	0	0	0	123.7
768	R	28.1	Very low	27.4	Very low	246 Å²	246	137 Å²	137	93%	0.928	76%	0.758	S	S	*	*				80.2	142.7	108.7	-163.4	-178.7	-176.6	179.5	1.8	121
769	A	30.5	Very low	27.5	Very low	83 Å²	83	133.8 Å²	133.8	69%	0.686	75%	0.752	S	S	*	*			trans	101.3	107	155.4	0	0	0	0	0	120.1
770	E	30.3	Very low	27.6	Very low	184 Å²	184	137 Å²	137	86%	0.86	76%	0.755	S	S	*	*			trans	49.3	122.2	130	-62.7	-171.1	166.1	0	0	124.4
771	S	28.3	Very low	27.7	Very low	105 Å²	105	137.4 Å²	137.4	73%	0.734	75%	0.748	S	S	*	*			trans	92.2	158.9	130.6	83.8	0	0	0	0	121.6
772	S	29	Very low	27.9	Very low	97 Å²	97	137.2 Å²	137.2	68%	0.678	75%	0.753	S	S	*	*			trans	79.9	71.6	150	-50.2	0	0	0	0	120.4
773	S	26.6	Very low	28.1	Very low	106 Å²	106	131.4 Å²	131.4	74%	0.741	75%	0.75	S	S	*	*				58.8	134.1	118.2	68.6	0	0	0	0	123.8
774	S	26.3	Very low	28.6	Very low	124 Å²	124	134.8 Å²	134.8	87%	0.867	77%	0.766	S	S	*	*			trans	94.8	133.3	138.6	-60.2	0	0	0	0	121.4
775	G	23.7	Very low	28.8	Very low	81 Å²	81	136.9 Å²	136.9	84%	0.835	77%	0.771	S	S	*	*			trans	91	144.1	163.7	0	0	0	0	0	115.6
776	S	26.6	Very low	28.8	Very low	103 Å²	103	137.9 Å²	137.9	72%	0.72	77%	0.768	S	S	*	*			cis	-165.2	141.4	-14.3	177.2	0	0	0	0	109.7
777	S	29.4	Very low	28.8	Very low	91 Å²	91	134.3 Å²	134.3	64%	0.636	77%	0.765	S	S	*	*			trans	47.5	170.9	149.6	69.8	0	0	0	0	118.9
778	D	28.3	Very low	28.8	Very low	135 Å²	135	134.6 Å²	134.6	72%	0.722	76%	0.762	S	S	*	*			cis	-130.9	131	0.6	-73.6	-88.6	0	0	0	106.9
779	E	29.2	Very low	28.8	Very low	147 Å²	147	127 Å²	127	69%	0.687	75%	0.747	S	S	*	*				65.9	116.5	80	-71.2	-157.5	-169.6	0	0	117.1
780	Y	28.4	Very low	28.6	Very low	218 Å²	218	130.6 Å²	130.6	86%	0.855	75%	0.753	S	S	*	*			trans	-167.8	99.6	133	-122.4	-85.9	0	0	0	107.8
781	L	28.8	Very low	28.4	Very low	113 Å²	113	124.5 Å²	124.5	59%	0.592	74%	0.74	S	S	*	*				67.7	105.8	71.5	-76.8	169.6	0	0	0	115.8
782	T	28.9	Very low	28.5	Very low	139 Å²	139	131.1 Å²	131.1	85%	0.853	75%	0.749	S	S	*	*				174.4	149.3	112.9	29.9	0	0	0	0	110.8
783	A	28.2	Very low	28.4	Very low	89 Å²	89	132.5 Å²	132.5	74%	0.736	75%	0.754	S	S	*	*			cis	-167.6	150.9	-33.3	0	0	0	0	0	109.2
784	E	38.6	Very low	28.5	Very low	197 Å²	197	139.2 Å²	139.2	92%	0.921	76%	0.763	S	S	*	*			trans	-119	148.4	159.9	-78.2	-159.8	161.3	0	0	110
785	E	30	Very low	28.5	Very low	186 Å²	186	136.8 Å²	136.8	87%	0.869	76%	0.757	S	S	*	*			trans	-156.1	155.9	171	-84.6	-168.4	149.2	0	0	108.6
786	S	26.6	Very low	28.6	Very low	91 Å²	91	138.6 Å²	138.6	64%	0.636	76%	0.757	S	S	*	*			cis	-155.5	149.2	-1.1	-119.1	0	0	0	0	108.6
787	L	29.1	Very low	28.6	Very low	154 Å²	154	137.6 Å²	137.6	81%	0.806	76%	0.756	S	S	*	*				60.7	151.6	82.1	-115.3	77.4	0	0	0	116.4
788	E	29.2	Very low	28.5	Very low	138 Å²	138	139.5 Å²	139.5	65%	0.645	77%	0.769	S	S	*	*			cis	-113.4	168.5	11.1	-106.7	-121.1	70.4	0	0	113.3	L790	E788-L790 PolarHBondContact OE1-N 3.43Å
789	S	28.6	Very low	28.5	Very low	86 Å²	86	136.6 Å²	136.6	60%	0.601	77%	0.771	S	S	*	*			cis	115.2	4.3	-6.2	76.2	0	0	0	0	124.4
790	L	26.4	Very low	28.5	Very low	158 Å²	158	135.7 Å²	135.7	83%	0.827	78%	0.775	S	S	*	*			trans	-99	134.3	179.2	-95.6	156.1	0	0	0	115.7	E788	E788-L790 PolarHBondContact OE1-N 3.43Å
791	G	27	Very low	28.6	Very low	57 Å²	57	136 Å²	136	59%	0.588	77%	0.774	S	S	*	*			cis	165.8	145	-15.9	0	0	0	0	0	115.1
792	R	30.2	Very low	28.6	Very low	243 Å²	243	137.5 Å²	137.5	92%	0.917	78%	0.783	S	S	*	*			trans	63	150.5	164.9	-59.5	-172	-179.7	-161.9	0.5	117.9
793	T	27.2	Very low	28.6	Very low	126 Å²	126	140.6 Å²	140.6	77%	0.773	79%	0.785	S	S	*	*			cis	-162.3	157.1	4.6	-1.9	0	0	0	0	113.2
794	R	27.9	Very low	28.7	Very low	247 Å²	247	142.3 Å²	142.3	93%	0.932	79%	0.791	S	S	*	*			trans	67.9	126.6	142.9	-167	-172.2	-154.2	-179.1	7.3	120.2
795	G	25.7	Very low	28.3	Very low	73 Å²	73	137.8 Å²	137.8	75%	0.753	79%	0.787	S	S	*	*			trans	167.8	31.1	161.8	0	0	0	0	0	126.4
796	S	27	Very low	28.2	Very low	119 Å²	119	139.9 Å²	139.9	83%	0.832	79%	0.787	S	S	*	*			trans	42.5	106.5	152.2	-168.7	0	0	0	0	123.4
797	A	26.4	Very low	28.4	Very low	83 Å²	83	140.2 Å²	140.2	69%	0.686	79%	0.789	S	S	*	*				45.3	125.5	128.8	0	0	0	0	0	124.9
798	S	27.5	Very low	28.6	Very low	130 Å²	130	142 Å²	142	91%	0.909	79%	0.79	S	S	*	*			trans	68.9	144.1	142.8	76.9	0	0	0	0	120.5
799	G	27.2	Very low	28.7	Very low	75 Å²	75	140 Å²	140	77%	0.773	79%	0.792	S	S	*	*			trans	158.3	65.1	167.7	0	0	0	0	0	120.4
800	V	28.7	Very low	28.8	Very low	127 Å²	127	146.9 Å²	146.9	77%	0.77	81%	0.805	S	S	*	*			trans	-5.9	117.9	146.7	174.4	0	0	0	0	118.7
801	R	30.8	Very low	29.2	Very low	224 Å²	224	146.2 Å²	146.2	85%	0.845	80%	0.802	S	S	*	*				155	139.6	128.5	-107.4	163.2	-69.2	-163.1	-2.3	115
802	N	29.7	Very low	29.7	Very low	145 Å²	145	151.5 Å²	151.5	78%	0.775	81%	0.811	S	S	*	*			trans	-55.5	156.4	165.8	-36.8	-21.8	0	0	0	113.2
803	F	27.8	Very low	29.7	Very low	204 Å²	204	143.4 Å²	143.4	90%	0.895	80%	0.803	S	S	*	*				-172.3	158.3	109.6	-112.3	-76.9	0	0	0	112.7
804	C	31.4	Very low	29.8	Very low	126 Å²	126	140.7 Å²	140.7	85%	0.851	80%	0.8	S	S	*	*			trans	-113.2	130.8	177.6	-63.4	0	0	0	0	112.7
805	A	30.1	Very low	30	Very low	101 Å²	101	139.9 Å²	139.9	84%	0.835	80%	0.797	S	S	*	*			trans	-156.3	133.8	154.7	0	0	0	0	0	107.5
806	R	28.4	Very low	30.3	Very low	230 Å²	230	142.6 Å²	142.6	87%	0.868	79%	0.794	S	S	*	*			cis	101.9	93.1	23	-167.7	174.5	-177.4	148.8	3.5	114.5
807	S	30.3	Very low	30.6	Very low	98 Å²	98	144.3 Å²	144.3	69%	0.685	79%	0.793	S	S	*	*			trans	66	124.5	145.6	-52.2	0	0	0	0	120.8
808	K	33	Very low	30.8	Very low	191 Å²	191	145 Å²	145	83%	0.83	79%	0.793	S	S	*	*				170	116.3	119.8	-89.6	167.7	179.3	-175.8	0	108
809	S	31.4	Very low	30.9	Very low	97 Å²	97	144.8 Å²	144.8	68%	0.678	79%	0.792	S	S	*	*				69	105.7	66.7	78.2	0	0	0	0	114.4
810	W	31.7	Very low	31.1	Very low	231 Å²	231	146.8 Å²	146.8	88%	0.875	79%	0.794	S	S	*	*			trans	-144.5	140.3	154.7	-84.5	94	0	0	0	107.9	H812	W810-H812 AromaticContact CZ3-NE2 3.88Å
811	D	34.3	Very low	31	Very low	144 Å²	144	146.7 Å²	146.7	77%	0.77	80%	0.799	S	S	*	*			trans	-149.1	117.2	-178.1	173.3	27.8	0	0	0	109.8
812	H	36.3	Very low	31	Very low	167 Å²	167	141.7 Å²	141.7	77%	0.773	80%	0.798	S	S	*	*			trans	-158.3	144.1	170.8	-67	-39.2	0	0	0	107.8	W810	W810-H812 AromaticContact CZ3-NE2 3.88Å
813	G	30.3	Very low	31.2	Very low	73 Å²	73	141.2 Å²	141.2	75%	0.753	81%	0.806	S	S	*	*			cis	161.3	70.1	-4.5	0	0	0	0	0	115.2
814	G	29.8	Very low	31.1	Very low	69 Å²	69	135.4 Å²	135.4	71%	0.711	80%	0.804	S	S	*	*			trans	70.9	139.3	154.4	0	0	0	0	0	121.1
815	R	32.5	Very low	30.9	Very low	230 Å²	230	135.2 Å²	135.2	87%	0.868	80%	0.804	S	S	*	*				176.1	114.2	120.2	-95	175.2	-139.6	-113.1	3.7	114.1
816	D	31.6	Very low	30.9	Very low	131 Å²	131	135 Å²	135	70%	0.701	80%	0.797	S	S	*	*				59	116.6	113.7	-54.9	-7.3	0	0	0	123
817	L	33	Very low	30.8	Very low	154 Å²	154	133.5 Å²	133.5	81%	0.806	79%	0.792	S	S	*	*			trans	82.3	106.1	132.5	-63	169.6	0	0	0	122.1
818	S	30.5	Very low	30.9	Very low	98 Å²	98	138.1 Å²	138.1	69%	0.685	80%	0.8	S	S	*	*				58	122.4	120.9	-53.4	0	0	0	0	121.6
819	S	30.3	Very low	30.6	Very low	126 Å²	126	134.6 Å²	134.6	88%	0.881	80%	0.799	S	S	*	*				-178.6	152.8	101.9	-78.6	0	0	0	0	114.2
820	S	30.6	Very low	30.5	Very low	116 Å²	116	137.4 Å²	137.4	81%	0.811	81%	0.806	S	S	*	*			trans	-74.5	151.6	-179.5	-45	0	0	0	0	114.2
821	S	28.4	Very low	30.2	Very low	125 Å²	125	132.2 Å²	132.2	87%	0.874	80%	0.795	S	S	*	*				-176.3	137.7	120.8	38.5	0	0	0	0	112.7
822	S	30.5	Very low	29.8	Very low	120 Å²	120	131.8 Å²	131.8	84%	0.839	79%	0.793	S	S	*	*			trans	-116.4	131.5	167.4	-65.9	0	0	0	0	109.5
823	S	32.6	Very low	29.6	Very low	135 Å²	135	129.1 Å²	129.1	94%	0.944	79%	0.793	S	S	*	*			trans	-178.3	150.3	152.5	-85.2	0	0	0	0	110.3
824	G	25.8	Very low	29.5	Very low	82 Å²	82	132.6 Å²	132.6	85%	0.845	79%	0.79	S	S	*	*			trans	131.5	69.4	169.6	0	0	0	0	0	115.5
825	S	26.8	Very low	29.4	Very low	122 Å²	122	138.7 Å²	138.7	85%	0.853	80%	0.8	S	S	*	*			trans	-79.4	140.9	163.7	177.9	0	0	0	0	110.2
826	S	30.1	Very low	29.3	Very low	97 Å²	97	135.5 Å²	135.5	68%	0.678	79%	0.793	S	S	*	*				173.9	137.3	116.9	-164	0	0	0	0	115.2
827	Y	27.3	Very low	29.6	Very low	197 Å²	197	137 Å²	137	77%	0.773	80%	0.8	S	S	*	*			trans	68.9	113	149.7	102.5	-81	0	0	0	124.4
828	K	31.7	Very low	29.6	Very low	195 Å²	195	134.7 Å²	134.7	85%	0.848	79%	0.794	S	S	*	*			trans	61.2	113.3	139.5	-59.9	-176.4	-176.5	-176.3	0	121
829	S	27.4	Very low	30.1	Very low	117 Å²	117	141.9 Å²	141.9	82%	0.818	81%	0.806	S	S	*	*				-139.8	148.4	100.3	-162	0	0	0	0	110.9
830	L	28.9	Very low	30.1	Very low	157 Å²	157	140.4 Å²	140.4	82%	0.822	79%	0.792	S	S	*	*			trans	-86.3	172.3	155.8	-61.7	167.5	0	0	0	106.9
831	D	25.4	Very low	30.1	Very low	121 Å²	121	139.9 Å²	139.9	65%	0.647	79%	0.786	S	S	*	*			cis	-157.4	160	20.5	-174.5	33.6	0	0	0	110.8
832	N	26.4	Very low	30.2	Very low	135 Å²	135	139 Å²	139	72%	0.722	78%	0.777	S	S	*	*			trans	44.7	143.4	163	-84.5	-56	0	0	0	121.1
833	S	32.1	Very low	30.2	Very low	112 Å²	112	141 Å²	141	78%	0.783	77%	0.773	S	S	*	*			cis	-139.1	175.4	5.4	58.6	0	0	0	0	111.3
834	H	27.5	Very low	30.5	Very low	145 Å²	145	143.4 Å²	143.4	67%	0.671	77%	0.766	S	S	*	*			trans	-135.2	114.7	-148	171.9	-67.2	0	0	0	113.3	F836	H834-F836 AromaticContact CD2-CD2 3.74Å; H834-F836 AromaticContact CD2-CE2 3.63Å; H834-F836 AromaticContact CE1-CD2 3.54Å; H834-F836 AromaticContact NE2-CD2 3.32Å; H834-F836 VanDerWaalsContact NE2-CD2 3.32Å; H834-F836 WeakPolarHBondContact NE2-CD2 3.43Å; H834-F836 AromaticContact NE2-CE2 3.41Å; H834-F836 WeakPolarHBondContact NE2-CE2 3.26Å
835	E	29	Very low	31.6	Very low	198 Å²	198	150.9 Å²	150.9	93%	0.925	77%	0.769	S	S	*	*			trans	-140.3	111	160.7	-146.2	165	-128.5	0	0	110.3
836	F	29.1	Very low	33	Very low	163 Å²	163	151.4 Å²	151.4	72%	0.715	75%	0.752	S	S	*	*			trans	-88.3	134.5	-174.3	-97.8	-114.3	0	0	0	111.2	H834 P838	H834-F836 AromaticContact CD2-CD2 3.74Å; H834-F836 AromaticContact CD2-CE2 3.63Å; H834-F836 AromaticContact CE1-CD2 3.54Å; H834-F836 AromaticContact NE2-CD2 3.32Å; H834-F836 VanDerWaalsContact NE2-CD2 3.32Å; H834-F836 WeakPolarHBondContact NE2-CD2 3.43Å; H834-F836 AromaticContact NE2-CE2 3.41Å; H834-F836 WeakPolarHBondContact NE2-CE2 3.26Å; F836-P838 WeakPolarHBondContact O-CD 3.48Å
837	L	38.6	Very low	34.7	Very low	162 Å²	162	147.6 Å²	147.6	85%	0.848	73%	0.729	S	S	*	*			trans	-81.5	112.4	162.5	-68.9	173.2	0	0	0	110.3	R839	L837-R839 PolarHBondContact O-N 3.4Å
838	P	32.3	Very low	37.4	Very low	106 Å²	106	138.7 Å²	138.7	69%	0.688	69%	0.694	S	S	*	*			trans	-76.2	111.8	161.1	31	-31.2	0	0	0	109	F836 T840	F836-P838 WeakPolarHBondContact O-CD 3.48Å; P838-T840 PolarHBondContact O-N 2.97Å
839	R	40.4	Very low	40	Very low	248 Å²	248	129.8 Å²	129.8	94%	0.936	66%	0.656	S	S	*	*			trans	-71.2	79.3	163.3	-85.1	-176.8	169.9	159.7	-3.6	109.7	L837	L837-R839 PolarHBondContact O-N 3.4Å
840	T	31.2	Very low	42.8	Very low	96 Å²	96	124.2 Å²	124.2	59%	0.589	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-72	138.6	154.1	43.2	0	0	0	0	108.6	P838	P838-T840 PolarHBondContact O-N 2.97Å
841	P	31.3	Very low	45.3	Very low	105 Å²	105	120.1 Å²	120.1	68%	0.682	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-56.3	147	157.6	-18.1	31.6	0	0	0	108.4	H843	P841-H843 PolarHBondContact O-N 3.48Å
842	P	29.3	Very low	47.9	Very low	107 Å²	107	116.7 Å²	116.7	70%	0.695	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-59.3	117.5	173.7	25.6	-32.9	0	0	0	108.3	F844	P842-F844 VanDerWaalsContact C-N 3.3Å; P842-F844 PolarHBondContact O-N 3.5Å
843	H	31.7	Very low	50.3	Low	161 Å²	161	114.5 Å²	114.5	75%	0.745	58%	0.575	S	S	*	*			trans	-63	98.4	168.3	-75.3	-97.5	0	0	0	107.2	P841 R845	P841-H843 PolarHBondContact O-N 3.48Å; H843-R845 VanDerWaalsContact C-N 3.32Å; H843-R845 PolarHBondContact O-N 2.92Å
844	F	39	Very low	52.6	Low	185 Å²	185	112.3 Å²	112.3	81%	0.811	56%	0.56	S	S	*	*			trans	-52.9	104.7	158	-86.1	-92.1	0	0	0	106.2	P842 R846	P842-F844 VanDerWaalsContact C-N 3.3Å; P842-F844 PolarHBondContact O-N 3.5Å; F844-R846 PolarHBondContact O-N 3.22Å
845	R	47.4	Very low	55.2	Low	240 Å²	240	106.4 Å²	106.4	91%	0.906	53%	0.534	S	S	*	.			trans	-57.6	112.1	167	-69	-172.9	179	-150.9	1.1	105.2	H843 G847	H843-R845 VanDerWaalsContact C-N 3.32Å; H843-R845 PolarHBondContact O-N 2.92Å; R845-G847 PolarHBondContact O-N 3.15Å
846	R	57.5	Low	58	Low	132 Å²	132	97.6 Å²	97.6	50%	0.498	49%	0.494	S	S	.	.			trans	-53.1	116.7	177.8	-98.3	171.2	157.4	-117.7	-8.2	107.4	H556 F844 D853	H556-R846 WeakPolarHBondContact NE2-CD 3.35Å; H556-R846 PolarHBondContact NE2-NH1 2.8Å; F844-R846 PolarHBondContact O-N 3.22Å; R846-D853 VanDerWaalsContact CZ-CG 3.44Å; R846-D853 IonicContact CZ-OD1 3.2Å; R846-D853 IonicContact CZ-OD2 3.36Å; R846-D853 VanDerWaalsContact CZ-OD2 3.25Å; R846-D853 IonicContact NH1-OD1 2.97Å; R846-D853 PolarHBondContact NH1-OD1 2.87Å; R846-D853 IonicContact NH1-OD2 2.7Å; R846-D853 PolarHBondContact NH1-OD2 3.02Å; R846-D853 IonicContact NH2-OD1 3.26Å; R846-D853 IonicContact NH2-OD2 3.98Å; R846-D853 PolarHBondContact NH2-OD2 2.96Å
847	G	65.6	Low	60.6	Low	18 Å²	18	91.6 Å²	91.6	19%	0.186	47%	0.468	C	S	.	.			trans	-63.9	145.2	-177.6	0	0	0	0	0	109.4	R845 F849	R845-G847 PolarHBondContact O-N 3.15Å; G847-F849 VanDerWaalsContact CA-CE2 3.45Å; G847-F849 WeakPolarHBondContact O-CD2 3.46Å; G847-F849 WeakPolarHBondContact O-CE2 3.45Å; G847-F849 PolarHBondContact O-N 3.03Å
848	L	82.8	Confident	62.9	Low	9 Å²	9	84.5 Å²	84.5	5%	0.047	43%	0.431	C	S	.	.			trans	-74.8	111.3	161.6	-172.9	59.3	0	0	0	105.5	L549 K552 D553 K881 W882	L549-L848 HydrophobicContact CB-CD2 4.24Å; L549-L848 HydrophobicContact CD2-CD2 4.37Å; L549-L848 HydrophobicContact CD2-CG 4.18Å; K552-L848 HydrophobicContact CB-CD1 4.37Å; K552-L848 HydrophobicContact CD-CD1 4.37Å; K552-L848 HydrophobicContact CG-CD1 4.33Å; D553-L848 HydrophobicContact CB-CD1 4.33Å; D553-L848 HydrophobicContact CB-CD2 4.37Å; L848-K881 HydrophobicContact CD2-CD 4.2Å; L848-W882 HydrophobicContact CD2-CB 4.38Å; L848-W882 HydrophobicContact CG-CB 4.48Å
849	F	87.6	Confident	65.5	Low	9 Å²	9	79.5 Å²	79.5	4%	0.039	40%	0.398	C	S	.	.			trans	-115.2	164.5	174	-55.1	-72	0	0	0	108.7	K552 G847 D853 P855 D859 M886 Y889	K552-F849 WeakPolarHBondContact CD-O 3.45Å; K552-F849 WeakPolarHBondContact CE-O 3.32Å; K552-F849 PolarHBondContact NZ-O 2.8Å; G847-F849 VanDerWaalsContact CA-CE2 3.45Å; G847-F849 WeakPolarHBondContact O-CD2 3.46Å; G847-F849 WeakPolarHBondContact O-CE2 3.45Å; G847-F849 PolarHBondContact O-N 3.03Å; F849-D853 VanDerWaalsContact CD2-C 3.46Å; F849-D853 WeakPolarHBondContact CE2-O 3.43Å; F849-P855 VanDerWaalsContact CD1-CA 3.49Å; F849-P855 HydrophobicContact CD1-CB 3.69Å; F849-P855 HydrophobicContact CD1-CG 4.41Å; F849-P855 HydrophobicContact CE1-CB 3.58Å; F849-P855 HydrophobicContact CE1-CG 3.89Å; F849-P855 HydrophobicContact CZ-CB 4.44Å; F849-P855 HydrophobicContact CZ-CG 4.32Å; F849-D859 WeakPolarHBondContact CA-OD1 3.48Å; F849-M886 HydrophobicContact CD1-CE 3.54Å; F849-M886 HydrophobicContact CD1-SD 4.4Å; F849-M886 HydrophobicContact CE1-CE 3.72Å; F849-Y889 HydrophobicContact CE1-CE2 4.41Å
850	I	84.8	Confident	67.6	Low	0 Å²	0	68.7 Å²	68.7	0%	0	36%	0.361	C	S	.	.	S	Bend	trans	-76.3	-58.5	-179.9	-58.8	175.8	0	0	0	110.2	F529 Y548 L549 K552 L858 D859 V862 W882	F529-I850 HydrophobicContact CB-CG2 4.18Å; F529-I850 HydrophobicContact CD1-CG2 3.92Å; F529-I850 HydrophobicContact CD2-CG2 3.52Å; F529-I850 HydrophobicContact CE1-CD1 4.47Å; F529-I850 HydrophobicContact CE1-CG2 4.14Å; F529-I850 HydrophobicContact CE2-CG2 3.76Å; F529-I850 HydrophobicContact CG-CG2 3.61Å; F529-I850 HydrophobicContact CZ-CD1 4.14Å; F529-I850 HydrophobicContact CZ-CG2 4.07Å; Y548-I850 HydrophobicContact CE1-CG2 3.92Å; L549-I850 HydrophobicContact CD2-CG1 4.42Å; K552-I850 PolarHBondContact NZ-O 3.1Å; I850-L858 HydrophobicContact CB-CD2 3.75Å; I850-L858 HydrophobicContact CD1-CD2 3.97Å; I850-L858 HydrophobicContact CG1-CD2 4.45Å; I850-L858 HydrophobicContact CG2-CD2 3.48Å; I850-L858 VanDerWaalsContact CG2-CD2 3.48Å; I850-D859 PolarHBondContact N-OD1 3.21Å; I850-V862 HydrophobicContact CD1-CB 3.63Å; I850-V862 HydrophobicContact CD1-CG1 3.74Å; I850-V862 HydrophobicContact CD1-CG2 3.59Å; I850-W882 HydrophobicContact CD1-CZ2 3.99Å; I850-W882 HydrophobicContact CG1-CZ2 4.5Å
851	E	81.8	Confident	70.2	Confident	70 Å²	70	65.2 Å²	65.2	33%	0.327	34%	0.338	S	S	.	.	S	Bend	trans	-100.4	141	173	-68.9	-159.2	167	0	0	112.4	T856 P900	E851-T856 HydrophobicContact CB-CG2 4.21Å; E851-P900 WeakPolarHBondContact OE2-CB 3.4Å
852	G	80	Confident	73	Confident	50 Å²	50	60.2 Å²	60.2	52%	0.515	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	61	-152.8	175.3	0	0	0	0	0	115.4	K552	K552-G852 PolarHBondContact NZ-O 2.79Å
853	D	77.8	Confident	75.7	Confident	88 Å²	88	57.5 Å²	57.5	47%	0.471	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	9.6	-175.3	-65.3	-31.5	0	0	0	112.9	R846 F849	R846-D853 VanDerWaalsContact CZ-CG 3.44Å; R846-D853 IonicContact CZ-OD1 3.2Å; R846-D853 IonicContact CZ-OD2 3.36Å; R846-D853 VanDerWaalsContact CZ-OD2 3.25Å; R846-D853 IonicContact NH1-OD1 2.97Å; R846-D853 PolarHBondContact NH1-OD1 2.87Å; R846-D853 IonicContact NH1-OD2 2.7Å; R846-D853 PolarHBondContact NH1-OD2 3.02Å; R846-D853 IonicContact NH2-OD1 3.26Å; R846-D853 IonicContact NH2-OD2 3.98Å; R846-D853 PolarHBondContact NH2-OD2 2.96Å; F849-D853 VanDerWaalsContact CD2-C 3.46Å; F849-D853 WeakPolarHBondContact CE2-O 3.43Å
854	S	79.6	Confident	78.2	Confident	66 Å²	66	51.6 Å²	51.6	46%	0.462	26%	0.261	S	S	.	.	S	Bend	trans	-148.4	150	-170.1	56.3	0	0	0	0	109.6
855	P	83.6	Confident	80.4	Confident	21 Å²	21	42.8 Å²	42.8	14%	0.136	22%	0.222	C	C	.	.			trans	-66	140.7	-177.6	28.2	-32.5	0	0	0	111.4	F849 W897	F849-P855 VanDerWaalsContact CD1-CA 3.49Å; F849-P855 HydrophobicContact CD1-CB 3.69Å; F849-P855 HydrophobicContact CD1-CG 4.41Å; F849-P855 HydrophobicContact CE1-CB 3.58Å; F849-P855 HydrophobicContact CE1-CG 3.89Å; F849-P855 HydrophobicContact CZ-CB 4.44Å; F849-P855 HydrophobicContact CZ-CG 4.32Å; P855-W897 HydrophobicContact CB-CD2 3.75Å; P855-W897 HydrophobicContact CB-CE3 3.9Å; P855-W897 HydrophobicContact CB-CG 4.45Å; P855-W897 HydrophobicContact CB-CH2 3.66Å; P855-W897 HydrophobicContact CB-CZ2 3.53Å; P855-W897 HydrophobicContact CB-CZ3 3.86Å; P855-W897 HydrophobicContact CG-CD2 4.25Å; P855-W897 HydrophobicContact CG-CZ2 3.9Å
856	T	86.6	Confident	82.2	Confident	13 Å²	13	31.3 Å²	31.3	8%	0.08	18%	0.179	C	C	.	.			trans	-120.9	163.4	-179.5	65.5	0	0	0	0	110.5	E851 L858 D859 S860	E851-T856 HydrophobicContact CB-CG2 4.21Å; T856-L858 PolarHBondContact O-N 3.01Å; T856-L858 VanDerWaalsContact O-N 3.09Å; T856-L858 PolarHBondContact OG1-N 3.24Å; T856-D859 PolarHBondContact N-OD2 3.36Å; T856-D859 WeakPolarHBondContact O-CB 3.36Å; T856-D859 PolarHBondContact O-N 3.1Å; T856-D859 PolarHBondContact OG1-N 2.84Å; T856-D859 PolarHBondContact OG1-OD2 3.42Å; T856-S860 PolarHBondContact O-N 2.93Å
857	K	84.6	Confident	82.8	Confident	37 Å²	37	29.6 Å²	29.6	16%	0.161	17%	0.172	C	C	.	.	H	α-helix	trans	-52.5	-33.7	172	-174.8	-179	164.9	170.3	0	111.9	D503 D505 D859 S860 E861 P898	D503-K857 IonicContact OD1-NZ 2.6Å; D503-K857 PolarHBondContact OD1-NZ 2.88Å; D505-K857 IonicContact OD2-NZ 3.17Å; D505-K857 PolarHBondContact OD2-NZ 3.02Å; K857-D859 VanDerWaalsContact C-N 3.33Å; K857-D859 PolarHBondContact O-N 3.05Å; K857-S860 CarbonylContact O-C 3.58Å; K857-S860 WeakPolarHBondContact O-CA 3.3Å; K857-S860 WeakPolarHBondContact O-CB 3.39Å; K857-S860 PolarHBondContact O-N 2.8Å; K857-E861 VanDerWaalsContact CE-OE1 3.27Å; K857-E861 WeakPolarHBondContact CE-OE1 3.3Å; K857-E861 HydrophobicContact CG-CG 4.44Å; K857-E861 PolarHBondContact O-N 3.15Å; K857-P898 PolarHBondContact N-O 3.27Å
858	L	85.3	Confident	82.8	Confident	14 Å²	14	36 Å²	36	7%	0.073	20%	0.202	C	C	.	.	H	α-helix	trans	-63.6	-33.1	177.9	-174.1	145.4	0	0	0	113	F529 I850 T856 S860 E861 V862 P900	F529-L858 HydrophobicContact CD1-CD1 4.27Å; F529-L858 HydrophobicContact CD1-CD2 3.81Å; F529-L858 HydrophobicContact CE1-CD2 4.01Å; I850-L858 HydrophobicContact CB-CD2 3.75Å; I850-L858 HydrophobicContact CD1-CD2 3.97Å; I850-L858 HydrophobicContact CG1-CD2 4.45Å; I850-L858 HydrophobicContact CG2-CD2 3.48Å; I850-L858 VanDerWaalsContact CG2-CD2 3.48Å; T856-L858 PolarHBondContact O-N 3.01Å; T856-L858 VanDerWaalsContact O-N 3.09Å; T856-L858 PolarHBondContact OG1-N 3.24Å; L858-S860 VanDerWaalsContact C-N 3.33Å; L858-E861 PolarHBondContact O-N 3.23Å; L858-V862 HydrophobicContact CD2-CG2 4.43Å; L858-V862 WeakPolarHBondContact O-CG2 3.46Å; L858-V862 PolarHBondContact O-N 3.16Å; L858-P900 HydrophobicContact CB-CG 4.32Å
859	D	87.4	Confident	82.4	Confident	0 Å²	0	37 Å²	37	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63	-41	170	-64.7	-91.5	0	0	0	111.1	F849 I850 T856 K857 V862 M863 W882 M886 W897	F849-D859 WeakPolarHBondContact CA-OD1 3.48Å; I850-D859 PolarHBondContact N-OD1 3.21Å; T856-D859 PolarHBondContact N-OD2 3.36Å; T856-D859 WeakPolarHBondContact O-CB 3.36Å; T856-D859 PolarHBondContact O-N 3.1Å; T856-D859 PolarHBondContact OG1-N 2.84Å; T856-D859 PolarHBondContact OG1-OD2 3.42Å; K857-D859 VanDerWaalsContact C-N 3.33Å; K857-D859 PolarHBondContact O-N 3.05Å; D859-V862 PolarHBondContact O-N 2.95Å; D859-M863 WeakPolarHBondContact O-CB 3.33Å; D859-M863 PolarHBondContact O-N 2.85Å; D859-W882 HydrophobicContact CB-CZ2 4.34Å; D859-W882 WeakPolarHBondContact O-CZ2 3.44Å; D859-W882 PolarHBondContact OD1-NE1 2.99Å; D859-M886 HydrophobicContact CB-SD 3.9Å; D859-W897 HydrophobicContact CB-CE3 4.45Å; D859-W897 HydrophobicContact CB-CZ3 3.88Å
860	S	85.2	Confident	81.9	Confident	22 Å²	22	44.1 Å²	44.1	15%	0.154	25%	0.25	C	S	.	.	H	α-helix	trans	-69.2	-34.3	176	-173.3	0	0	0	0	113	T856 K857 L858 S864	T856-S860 PolarHBondContact O-N 2.93Å; K857-S860 CarbonylContact O-C 3.58Å; K857-S860 WeakPolarHBondContact O-CA 3.3Å; K857-S860 WeakPolarHBondContact O-CB 3.39Å; K857-S860 PolarHBondContact O-N 2.8Å; L858-S860 VanDerWaalsContact C-N 3.33Å; S860-S864 WeakPolarHBondContact O-CB 3.34Å; S860-S864 PolarHBondContact O-N 2.93Å; S860-S864 PolarHBondContact O-OG 3.49Å
861	E	86.4	Confident	81.9	Confident	23 Å²	23	44.4 Å²	44.4	11%	0.107	25%	0.252	C	S	.	.	H	α-helix	trans	-63.3	-47.3	173	-73.2	167.9	-151.6	0	0	111	R506 W527 K857 L858 S864 A865	R506-E861 VanDerWaalsContact CD-OE2 3.24Å; R506-E861 WeakPolarHBondContact CD-OE2 3.49Å; R506-E861 HydrophobicContact CG-CG 4.45Å; R506-E861 IonicContact CZ-OE2 3.19Å; R506-E861 IonicContact NE-OE2 3.38Å; R506-E861 PolarHBondContact NE-OE2 3.37Å; W527-E861 HydrophobicContact CH2-CB 4.33Å; W527-E861 HydrophobicContact CZ3-CB 4.2Å; K857-E861 VanDerWaalsContact CE-OE1 3.27Å; K857-E861 WeakPolarHBondContact CE-OE1 3.3Å; K857-E861 HydrophobicContact CG-CG 4.44Å; K857-E861 PolarHBondContact O-N 3.15Å; L858-E861 PolarHBondContact O-N 3.23Å; E861-S864 CarbonylContact O-C 3.52Å; E861-S864 WeakPolarHBondContact O-CB 3.4Å; E861-S864 PolarHBondContact O-N 3.02Å; E861-A865 WeakPolarHBondContact O-CB 3.26Å; E861-A865 PolarHBondContact O-N 3.17Å
862	V	88.3	Confident	82.1	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-67.8	-37	178.1	170.2	0	0	0	0	111.8	W527 F529 L536 L545 I850 L858 D859 S864 A865 L866 W882	W527-V862 HydrophobicContact CE3-CG2 3.81Å; W527-V862 HydrophobicContact CH2-CG2 3.86Å; W527-V862 HydrophobicContact CZ3-CG2 3.42Å; W527-V862 VanDerWaalsContact CZ3-CG2 3.42Å; F529-V862 HydrophobicContact CE1-CG2 3.78Å; F529-V862 HydrophobicContact CZ-CG2 3.99Å; L536-V862 HydrophobicContact CD1-CB 4.24Å; L536-V862 HydrophobicContact CD1-CG1 3.72Å; L536-V862 HydrophobicContact CD1-CG2 3.81Å; L545-V862 HydrophobicContact CD2-CG1 4.16Å; I850-V862 HydrophobicContact CD1-CB 3.63Å; I850-V862 HydrophobicContact CD1-CG1 3.74Å; I850-V862 HydrophobicContact CD1-CG2 3.59Å; L858-V862 HydrophobicContact CD2-CG2 4.43Å; L858-V862 WeakPolarHBondContact O-CG2 3.46Å; L858-V862 PolarHBondContact O-N 3.16Å; D859-V862 PolarHBondContact O-N 2.95Å; V862-S864 VanDerWaalsContact C-N 3.27Å; V862-S864 PolarHBondContact O-N 3.29Å; V862-A865 PolarHBondContact O-N 2.69Å; V862-L866 HydrophobicContact CG1-CD1 3.8Å; V862-L866 HydrophobicContact CG1-CG 4.36Å; V862-L866 WeakPolarHBondContact O-CG 3.46Å; V862-L866 PolarHBondContact O-N 3.47Å; V862-W882 HydrophobicContact CB-CH2 4.21Å; V862-W882 HydrophobicContact CB-CZ2 4.26Å; V862-W882 HydrophobicContact CG1-CH2 3.73Å; V862-W882 HydrophobicContact CG1-CZ2 4.04Å; V862-W882 HydrophobicContact CG1-CZ3 4.35Å
863	M	86.2	Confident	82.4	Confident	49 Å²	49	45.4 Å²	45.4	24%	0.241	25%	0.251	C	S	.	.	H	α-helix	trans	-64.3	-36.1	174.4	-141.3	-72.9	-70.8	0	0	110.9	D859 A865 W882 M886 M894	D859-M863 WeakPolarHBondContact O-CB 3.33Å; D859-M863 PolarHBondContact O-N 2.85Å; M863-A865 VanDerWaalsContact C-N 3.31Å; M863-A865 PolarHBondContact O-N 3.38Å; M863-W882 HydrophobicContact CB-CH2 3.81Å; M863-W882 HydrophobicContact CG-CH2 3.9Å; M863-W882 HydrophobicContact CG-CZ3 4.36Å; M863-M886 HydrophobicContact CG-CB 3.86Å; M863-M886 HydrophobicContact CG-CG 4.31Å; M863-M894 HydrophobicContact CB-CE 4.14Å; M863-M894 HydrophobicContact CE-CE 4.02Å; M863-M894 HydrophobicContact CE-SD 4.37Å; M863-M894 HydrophobicContact CG-CE 4.38Å
864	S	85.4	Confident	82.7	Confident	37 Å²	37	49.8 Å²	49.8	26%	0.259	27%	0.269	S	S	.	.	H	α-helix	trans	-74.8	-14.9	172.5	-55.6	0	0	0	0	114.2	R513 S860 E861 V862	R513-S864 PolarHBondContact NH2-O 3.49Å; S860-S864 WeakPolarHBondContact O-CB 3.34Å; S860-S864 PolarHBondContact O-N 2.93Å; S860-S864 PolarHBondContact O-OG 3.49Å; E861-S864 CarbonylContact O-C 3.52Å; E861-S864 WeakPolarHBondContact O-CB 3.4Å; E861-S864 PolarHBondContact O-N 3.02Å; V862-S864 VanDerWaalsContact C-N 3.27Å; V862-S864 PolarHBondContact O-N 3.29Å
865	A	85.8	Confident	83.1	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-90.9	-39.4	178.2	0	0	0	0	0	112.7	W527 L536 E861 V862 M863 R867	W527-A865 HydrophobicContact CH2-CB 3.84Å; W527-A865 HydrophobicContact CZ2-CB 3.55Å; L536-A865 HydrophobicContact CD1-CB 4.37Å; E861-A865 WeakPolarHBondContact O-CB 3.26Å; E861-A865 PolarHBondContact O-N 3.17Å; V862-A865 PolarHBondContact O-N 2.69Å; M863-A865 VanDerWaalsContact C-N 3.31Å; M863-A865 PolarHBondContact O-N 3.38Å; A865-R867 PolarHBondContact O-N 3.12Å
866	L	84.6	Confident	83.4	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.268	C	S	.	.	S	Bend	trans	-66	-15.2	176.8	-73.4	160.8	0	0	0	113.8	L536 L542 L545 V862 A869 I871 W882	L536-L866 HydrophobicContact CB-CD2 4.09Å; L536-L866 HydrophobicContact CB-CG 4.33Å; L536-L866 VanDerWaalsContact O-CD2 3.23Å; L536-L866 WeakPolarHBondContact O-CD2 2.93Å; L542-L866 HydrophobicContact CD2-CD2 3.51Å; L545-L866 HydrophobicContact CD2-CD1 3.89Å; L545-L866 HydrophobicContact CD2-CD2 4.14Å; L545-L866 HydrophobicContact CD2-CG 4.46Å; V862-L866 HydrophobicContact CG1-CD1 3.8Å; V862-L866 HydrophobicContact CG1-CG 4.36Å; V862-L866 WeakPolarHBondContact O-CG 3.46Å; V862-L866 PolarHBondContact O-N 3.47Å; L866-A869 WeakPolarHBondContact O-CB 3.38Å; L866-A869 PolarHBondContact O-N 2.72Å; L866-I871 HydrophobicContact CD2-CD1 4.31Å; L866-W882 HydrophobicContact CD1-CE3 4.3Å; L866-W882 HydrophobicContact CD1-CH2 3.94Å; L866-W882 HydrophobicContact CD1-CZ3 3.4Å
867	R	69.6	Low	83.5	Confident	96 Å²	96	54.6 Å²	54.6	36%	0.362	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.1	-168.2	-176.8	-162.8	175.6	-95.6	-161.9	-6.7	110.8	D514 H517 A865 A869 K883	D514-R867 IonicContact OD1-CZ 2.68Å; D514-R867 IonicContact OD1-NE 2.74Å; D514-R867 IonicContact OD1-NH2 2.78Å; D514-R867 PolarHBondContact OD1-NH2 2.95Å; H517-R867 VanDerWaalsContact CB-NH1 3.34Å; H517-R867 VanDerWaalsContact CE1-CD 3.45Å; H517-R867 WeakPolarHBondContact CE1-CD 3.3Å; H517-R867 PolarHBondContact CE1-NE 3Å; H517-R867 PolarHBondContact CE1-NH1 3.01Å; H517-R867 PolarHBondContact CE1-NH2 3.37Å; A865-R867 PolarHBondContact O-N 3.12Å; R867-A869 PolarHBondContact O-N 2.8Å; R867-K883 PolarHBondContact O-NZ 2.8Å
868	D	65.5	Low	83.7	Confident	152 Å²	152	53.5 Å²	53.5	81%	0.813	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	26	165.8	-61.9	-64.5	0	0	0	113	D870	D868-D870 PolarHBondContact O-N 3.14Å
869	A	73.9	Confident	83.9	Confident	31 Å²	31	52.8 Å²	52.8	26%	0.256	28%	0.278	S	S	.	.			trans	-55.6	131.7	171.2	0	0	0	0	0	109.7	L866 R867 I871 K883	L866-A869 WeakPolarHBondContact O-CB 3.38Å; L866-A869 PolarHBondContact O-N 2.72Å; R867-A869 PolarHBondContact O-N 2.8Å; A869-I871 WeakPolarHBondContact O-CG1 3.36Å; A869-K883 PolarHBondContact O-NZ 3.13Å
870	D	77.5	Confident	83.9	Confident	157 Å²	157	56.3 Å²	56.3	84%	0.84	30%	0.295	S	S	*	.			trans	-74.6	129.8	176	-162.2	6.1	0	0	0	108.9	D868	D868-D870 PolarHBondContact O-N 3.14Å
871	I	84.6	Confident	84	Confident	6 Å²	6	59.2 Å²	59.2	3%	0.031	30%	0.304	C	S	.	.			trans	-118.8	99.6	-171.6	-55.8	-167.9	0	0	0	107.6	L542 L866 A869 P873 Y876 V879 K883	L542-I871 HydrophobicContact CD2-CD1 3.86Å; L542-I871 HydrophobicContact CD2-CG1 4.31Å; L866-I871 HydrophobicContact CD2-CD1 4.31Å; A869-I871 WeakPolarHBondContact O-CG1 3.36Å; I871-P873 WeakPolarHBondContact O-CD 3.47Å; I871-P873 VanDerWaalsContact O-N 3.09Å; I871-Y876 HydrophobicContact CG2-CD2 4.21Å; I871-Y876 HydrophobicContact CG2-CG 4.4Å; I871-V879 HydrophobicContact CD1-CG1 3.62Å; I871-V879 HydrophobicContact CG2-CB 4.34Å; I871-V879 HydrophobicContact CG2-CG1 4.19Å; I871-K883 HydrophobicContact CD1-CD 3.49Å; I871-K883 VanDerWaalsContact CD1-CD 3.49Å; I871-K883 HydrophobicContact CG1-CD 4.19Å
872	D	85.4	Confident	84.2	Confident	71 Å²	71	58.1 Å²	58.1	38%	0.38	30%	0.299	S	S	.	.			trans	-49.3	112.9	175.6	174.6	7.7	0	0	0	110.6	Q874 K875 Y876	D872-Q874 PolarHBondContact O-N 2.89Å; D872-Q874 WeakPolarHBondContact OD1-CB 3.42Å; D872-Q874 PolarHBondContact OD1-N 2.78Å; D872-K875 HydrophobicContact CB-CB 4.05Å; D872-K875 PolarHBondContact O-N 3.05Å; D872-K875 VanDerWaalsContact OD2-CB 3.25Å; D872-K875 WeakPolarHBondContact OD2-CB 3.36Å; D872-K875 PolarHBondContact OD2-N 3.19Å; D872-Y876 PolarHBondContact O-N 3.25Å
873	P	86.4	Confident	84.2	Confident	70 Å²	70	58.7 Å²	58.7	46%	0.455	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-17.5	-179.3	-19.4	31.9	0	0	0	113.8	I871 H880	I871-P873 WeakPolarHBondContact O-CD 3.47Å; I871-P873 VanDerWaalsContact O-N 3.09Å; P873-H880 HydrophobicContact CB-CB 4.43Å
874	Q	85.4	Confident	84.3	Confident	180 Å²	180	59.1 Å²	59.1	84%	0.841	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-40.3	176.1	-56.2	-169.4	3	0	0	111.5	D872	D872-Q874 PolarHBondContact O-N 2.89Å; D872-Q874 WeakPolarHBondContact OD1-CB 3.42Å; D872-Q874 PolarHBondContact OD1-N 2.78Å
875	K	87.4	Confident	84.4	Confident	117 Å²	117	59.2 Å²	59.2	51%	0.509	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-32.7	-178.5	-169	174.8	-179	-178.9	0	113.7	D872	D872-K875 HydrophobicContact CB-CB 4.05Å; D872-K875 PolarHBondContact O-N 3.05Å; D872-K875 VanDerWaalsContact OD2-CB 3.25Å; D872-K875 WeakPolarHBondContact OD2-CB 3.36Å; D872-K875 PolarHBondContact OD2-N 3.19Å
876	Y	89.4	Confident	84.4	Confident	17 Å²	17	59.2 Å²	59.2	7%	0.067	31%	0.309	C	S	.	.			trans	-133.6	63.8	-176.7	-51.6	-73.1	0	0	0	112.5	T539 L542 R543 E546 I871 D872 S878 V879 H880	T539-Y876 PolarHBondContact O-OH 3.45Å; L542-Y876 HydrophobicContact CB-CD1 4Å; L542-Y876 HydrophobicContact CB-CD2 4.3Å; L542-Y876 HydrophobicContact CB-CE1 3.59Å; L542-Y876 HydrophobicContact CB-CE2 3.93Å; L542-Y876 HydrophobicContact CB-CG 4.32Å; L542-Y876 HydrophobicContact CD1-CD2 4.29Å; L542-Y876 HydrophobicContact CD1-CE2 3.84Å; L542-Y876 HydrophobicContact CG-CE2 4.5Å; R543-Y876 HydrophobicContact CB-CE1 4.39Å; E546-Y876 HydrophobicContact CB-CD1 3.91Å; E546-Y876 HydrophobicContact CG-CD1 4.31Å; E546-Y876 WeakPolarHBondContact OE2-CA 3.49Å; I871-Y876 HydrophobicContact CG2-CD2 4.21Å; I871-Y876 HydrophobicContact CG2-CG 4.4Å; D872-Y876 PolarHBondContact O-N 3.25Å; Y876-S878 PolarHBondContact O-N 3.2Å; Y876-V879 PolarHBondContact O-N 2.82Å; Y876-H880 WeakPolarHBondContact O-CB 3.45Å; Y876-H880 PolarHBondContact O-N 3.45Å
877	P	89.3	Confident	84.5	Confident	67 Å²	67	66 Å²	66	44%	0.435	34%	0.338	S	S	.	.	H	α-helix	trans	-66.9	-34	-171.4	26.1	-35.2	0	0	0	114.6	E546 K881	E546-P877 WeakPolarHBondContact OE1-CD 3.35Å; P877-K881 VanDerWaalsContact O-CB 3.3Å; P877-K881 WeakPolarHBondContact O-CB 3.39Å; P877-K881 PolarHBondContact O-N 3.35Å
878	S	88	Confident	85.2	Confident	14 Å²	14	65.7 Å²	65.7	10%	0.098	35%	0.351	C	S	.	.	H	α-helix	trans	-76.1	-38.7	178.5	-46.1	0	0	0	0	111.4	E546 S550 Y876 K881 W882	E546-S878 VanDerWaalsContact CD-N 3.31Å; E546-S878 WeakPolarHBondContact OE1-CB 3.4Å; E546-S878 PolarHBondContact OE1-N 3.33Å; E546-S878 PolarHBondContact OE1-OG 3.15Å; E546-S878 WeakPolarHBondContact OE2-CA 3.32Å; E546-S878 WeakPolarHBondContact OE2-CB 3.41Å; E546-S878 PolarHBondContact OE2-N 2.99Å; S550-S878 WeakPolarHBondContact CA-OG 3.48Å; S550-S878 WeakPolarHBondContact CB-OG 3.21Å; Y876-S878 PolarHBondContact O-N 3.2Å; S878-K881 PolarHBondContact O-N 3.18Å; S878-W882 WeakPolarHBondContact O-CB 3.41Å; S878-W882 PolarHBondContact O-N 2.63Å
879	V	89.4	Confident	86.1	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-63.2	-44.4	170.8	-175.3	0	0	0	0	110.1	L542 L545 E546 L549 I871 Y876 K881 W882 K883	L542-V879 HydrophobicContact CD2-CG1 4.38Å; L545-V879 HydrophobicContact CB-CG2 4.16Å; L545-V879 HydrophobicContact CD2-CG1 3.99Å; L545-V879 HydrophobicContact CD2-CG2 4.13Å; L545-V879 HydrophobicContact CG-CG2 3.96Å; E546-V879 HydrophobicContact CB-CG2 3.85Å; E546-V879 WeakPolarHBondContact OE2-CG2 3.43Å; E546-V879 PolarHBondContact OE2-N 3.44Å; L549-V879 HydrophobicContact CD1-CG2 4.14Å; I871-V879 HydrophobicContact CD1-CG1 3.62Å; I871-V879 HydrophobicContact CG2-CB 4.34Å; I871-V879 HydrophobicContact CG2-CG1 4.19Å; Y876-V879 PolarHBondContact O-N 2.82Å; V879-K881 PolarHBondContact O-N 3.41Å; V879-W882 PolarHBondContact O-N 3.24Å; V879-K883 WeakPolarHBondContact O-CB 3.31Å; V879-K883 PolarHBondContact O-N 2.87Å
880	H	88	Confident	86.5	Confident	74 Å²	74	63 Å²	63	34%	0.343	33%	0.331	S	S	.	.	H	α-helix	trans	-62.6	-42.3	176.8	-177.3	-89.3	0	0	0	111.9	P873 Y876 K883 S884	P873-H880 HydrophobicContact CB-CB 4.43Å; Y876-H880 WeakPolarHBondContact O-CB 3.45Å; Y876-H880 PolarHBondContact O-N 3.45Å; H880-K883 PolarHBondContact O-N 2.78Å; H880-S884 PolarHBondContact CE1-OG 2.68Å; H880-S884 VanDerWaalsContact O-CB 3.27Å; H880-S884 WeakPolarHBondContact O-CB 3.4Å; H880-S884 PolarHBondContact O-N 2.96Å; H880-S884 PolarHBondContact O-OG 3.14Å
881	K	87.7	Confident	86.4	Confident	82 Å²	82	60.1 Å²	60.1	36%	0.357	32%	0.32	S	S	.	.	H	α-helix	trans	-58.1	-49.6	173	-178.8	-174.3	179.5	-173.5	0	111.5	D553 L848 P877 S878 V879 S884 T885	D553-K881 IonicContact OD1-NZ 3.67Å; D553-K881 PolarHBondContact OD1-NZ 3.42Å; D553-K881 IonicContact OD2-NZ 2.91Å; D553-K881 PolarHBondContact OD2-NZ 3.49Å; L848-K881 HydrophobicContact CD2-CD 4.2Å; P877-K881 VanDerWaalsContact O-CB 3.3Å; P877-K881 WeakPolarHBondContact O-CB 3.39Å; P877-K881 PolarHBondContact O-N 3.35Å; S878-K881 PolarHBondContact O-N 3.18Å; V879-K881 PolarHBondContact O-N 3.41Å; K881-S884 WeakPolarHBondContact O-CB 3.32Å; K881-S884 PolarHBondContact O-N 3.22Å; K881-T885 PolarHBondContact O-N 2.59Å; K881-T885 PolarHBondContact O-OG1 3.11Å
882	W	90.9	Very high	85.9	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-62.8	-47.5	178	169.8	95.7	0	0	0	111.8	L549 L848 I850 D859 V862 M863 L866 S878 V879 S884 T885 M886	L549-W882 HydrophobicContact CD1-CB 3.79Å; L549-W882 HydrophobicContact CD1-CD2 4.49Å; L549-W882 HydrophobicContact CD1-CG 3.99Å; L848-W882 HydrophobicContact CD2-CB 4.38Å; L848-W882 HydrophobicContact CG-CB 4.48Å; I850-W882 HydrophobicContact CD1-CZ2 3.99Å; I850-W882 HydrophobicContact CG1-CZ2 4.5Å; D859-W882 HydrophobicContact CB-CZ2 4.34Å; D859-W882 WeakPolarHBondContact O-CZ2 3.44Å; D859-W882 PolarHBondContact OD1-NE1 2.99Å; V862-W882 HydrophobicContact CB-CH2 4.21Å; V862-W882 HydrophobicContact CB-CZ2 4.26Å; V862-W882 HydrophobicContact CG1-CH2 3.73Å; V862-W882 HydrophobicContact CG1-CZ2 4.04Å; V862-W882 HydrophobicContact CG1-CZ3 4.35Å; M863-W882 HydrophobicContact CB-CH2 3.81Å; M863-W882 HydrophobicContact CG-CH2 3.9Å; M863-W882 HydrophobicContact CG-CZ3 4.36Å; L866-W882 HydrophobicContact CD1-CE3 4.3Å; L866-W882 HydrophobicContact CD1-CH2 3.94Å; L866-W882 HydrophobicContact CD1-CZ3 3.4Å; S878-W882 WeakPolarHBondContact O-CB 3.41Å; S878-W882 PolarHBondContact O-N 2.63Å; V879-W882 PolarHBondContact O-N 3.24Å; W882-S884 VanDerWaalsContact C-N 3.28Å; W882-S884 PolarHBondContact O-N 3.08Å; W882-T885 WeakPolarHBondContact CA-OG1 3.39Å; W882-T885 CarbonylContact O-C 3.57Å; W882-T885 PolarHBondContact O-N 3.49Å; W882-T885 PolarHBondContact O-OG1 2.97Å; W882-M886 HydrophobicContact CD2-CG 4.04Å; W882-M886 HydrophobicContact CE3-CG 4.46Å; W882-M886 HydrophobicContact CH2-CG 3.95Å; W882-M886 HydrophobicContact CZ2-CG 3.53Å; W882-M886 HydrophobicContact CZ2-SD 4.37Å; W882-M886 HydrophobicContact CZ3-CG 4.39Å; W882-M886 WeakPolarHBondContact O-CG 3.46Å; W882-M886 PolarHBondContact O-N 2.72Å
883	K	88.5	Confident	85.6	Confident	13 Å²	13	64.3 Å²	64.3	6%	0.057	35%	0.35	C	S	.	.	H	α-helix	trans	-63.5	-35.3	179.3	-167.4	167.2	-173.7	172.1	0	110.8	R867 A869 I871 V879 H880 M886 K887	R867-K883 PolarHBondContact O-NZ 2.8Å; A869-K883 PolarHBondContact O-NZ 3.13Å; I871-K883 HydrophobicContact CD1-CD 3.49Å; I871-K883 VanDerWaalsContact CD1-CD 3.49Å; I871-K883 HydrophobicContact CG1-CD 4.19Å; V879-K883 WeakPolarHBondContact O-CB 3.31Å; V879-K883 PolarHBondContact O-N 2.87Å; H880-K883 PolarHBondContact O-N 2.78Å; K883-M886 PolarHBondContact O-N 3.13Å; K883-K887 WeakPolarHBondContact O-CB 3.27Å; K883-K887 WeakPolarHBondContact O-CG 3.27Å; K883-K887 PolarHBondContact O-N 2.83Å
884	S	87.5	Confident	85.3	Confident	58 Å²	58	61.7 Å²	61.7	41%	0.406	33%	0.331	S	S	.	.	H	α-helix	trans	-65.1	-41.9	172.1	-60.4	0	0	0	0	112.5	H880 K881 W882	H880-S884 PolarHBondContact CE1-OG 2.68Å; H880-S884 VanDerWaalsContact O-CB 3.27Å; H880-S884 WeakPolarHBondContact O-CB 3.4Å; H880-S884 PolarHBondContact O-N 2.96Å; H880-S884 PolarHBondContact O-OG 3.14Å; K881-S884 WeakPolarHBondContact O-CB 3.32Å; K881-S884 PolarHBondContact O-N 3.22Å; W882-S884 VanDerWaalsContact C-N 3.28Å; W882-S884 PolarHBondContact O-N 3.08Å
885	T	86.6	Confident	84.8	Confident	39 Å²	39	61.1 Å²	61.1	24%	0.239	33%	0.329	C	S	.	.	H	α-helix	trans	-70.7	-30.5	174	42.8	0	0	0	0	113.4	K881 W882 S888 Y889	K881-T885 PolarHBondContact O-N 2.59Å; K881-T885 PolarHBondContact O-OG1 3.11Å; W882-T885 WeakPolarHBondContact CA-OG1 3.39Å; W882-T885 CarbonylContact O-C 3.57Å; W882-T885 PolarHBondContact O-N 3.49Å; W882-T885 PolarHBondContact O-OG1 2.97Å; T885-S888 PolarHBondContact O-N 3.25Å; T885-S888 PolarHBondContact O-OG 3.35Å; T885-Y889 VanDerWaalsContact O-CD2 3.28Å; T885-Y889 WeakPolarHBondContact O-CD2 3.49Å; T885-Y889 WeakPolarHBondContact O-CE2 3.46Å
886	M	87.4	Confident	84.3	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-71.4	-39.3	175	-64.2	-45.2	106	0	0	111.1	F849 D859 M863 W882 K883 S888 Y889 W897	F849-M886 HydrophobicContact CD1-CE 3.54Å; F849-M886 HydrophobicContact CD1-SD 4.4Å; F849-M886 HydrophobicContact CE1-CE 3.72Å; D859-M886 HydrophobicContact CB-SD 3.9Å; M863-M886 HydrophobicContact CG-CB 3.86Å; M863-M886 HydrophobicContact CG-CG 4.31Å; W882-M886 HydrophobicContact CD2-CG 4.04Å; W882-M886 HydrophobicContact CE3-CG 4.46Å; W882-M886 HydrophobicContact CH2-CG 3.95Å; W882-M886 HydrophobicContact CZ2-CG 3.53Å; W882-M886 HydrophobicContact CZ2-SD 4.37Å; W882-M886 HydrophobicContact CZ3-CG 4.39Å; W882-M886 WeakPolarHBondContact O-CG 3.46Å; W882-M886 PolarHBondContact O-N 2.72Å; K883-M886 PolarHBondContact O-N 3.13Å; M886-S888 PolarHBondContact O-N 3.01Å; M886-S888 VanDerWaalsContact O-N 3.09Å; M886-Y889 PolarHBondContact O-N 3.03Å; M886-W897 HydrophobicContact SD-CH2 3.77Å; M886-W897 HydrophobicContact SD-CZ3 4.14Å
887	K	85.6	Confident	84	Confident	142 Å²	142	60.4 Å²	60.4	62%	0.617	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-8.7	176.2	-78.8	-177.9	173.8	-172.1	0	114.9	K883	K883-K887 WeakPolarHBondContact O-CB 3.27Å; K883-K887 WeakPolarHBondContact O-CG 3.27Å; K883-K887 PolarHBondContact O-N 2.83Å
888	S	84.9	Confident	83.4	Confident	90 Å²	90	61.1 Å²	61.1	63%	0.629	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-8	175	67.7	0	0	0	0	114.4	T885 M886	T885-S888 PolarHBondContact O-N 3.25Å; T885-S888 PolarHBondContact O-OG 3.35Å; M886-S888 PolarHBondContact O-N 3.01Å; M886-S888 VanDerWaalsContact O-N 3.09Å
889	Y	83.7	Confident	82.6	Confident	81 Å²	81	64 Å²	64	32%	0.318	36%	0.361	S	S	.	.	S	Bend	trans	-98.3	150.5	174.6	-62.7	-86.9	0	0	0	111	F849 T885 M886 W897	F849-Y889 HydrophobicContact CE1-CE2 4.41Å; T885-Y889 VanDerWaalsContact O-CD2 3.28Å; T885-Y889 WeakPolarHBondContact O-CD2 3.49Å; T885-Y889 WeakPolarHBondContact O-CE2 3.46Å; M886-Y889 PolarHBondContact O-N 3.03Å; Y889-W897 HydrophobicContact CD1-CZ2 4.1Å; Y889-W897 HydrophobicContact CD2-CH2 4.22Å; Y889-W897 AromaticContact CD2-CZ2 3.82Å; Y889-W897 HydrophobicContact CD2-CZ2 3.82Å; Y889-W897 HydrophobicContact CE2-CZ2 4.37Å; Y889-W897 HydrophobicContact CG-CH2 4.42Å; Y889-W897 AromaticContact CG-CZ2 3.67Å; Y889-W897 HydrophobicContact CG-CZ2 3.67Å
890	S	82.3	Confident	81.4	Confident	46 Å²	46	65.7 Å²	65.7	32%	0.322	37%	0.372	S	S	.	.			trans	-78.7	153.7	175.6	83.5	0	0	0	0	111.2	S892 D893 M894	S890-S892 PolarHBondContact O-N 3.47Å; S890-S892 VanDerWaalsContact O-N 3.08Å; S890-S892 PolarHBondContact OG-N 3.43Å; S890-D893 WeakPolarHBondContact CB-OD2 3.29Å; S890-D893 PolarHBondContact N-OD2 3.02Å; S890-D893 WeakPolarHBondContact O-CB 3.49Å; S890-D893 PolarHBondContact O-N 2.93Å; S890-D893 PolarHBondContact OG-N 2.98Å; S890-D893 PolarHBondContact OG-OD2 3.16Å; S890-M894 WeakPolarHBondContact O-CG 3.46Å; S890-M894 PolarHBondContact O-N 3.19Å
891	P	75.8	Confident	79.6	Confident	95 Å²	95	68.1 Å²	68.1	62%	0.617	39%	0.392	S	S	*	.	H	α-helix	trans	-57.5	-24.6	174.5	-26	35.2	0	0	0	114	Q895	P891-Q895 WeakPolarHBondContact O-CG 3.18Å; P891-Q895 PolarHBondContact O-N 2.96Å
892	S	75.2	Confident	77.5	Confident	90 Å²	90	70.2 Å²	70.2	63%	0.629	41%	0.412	S	S	*	.	H	α-helix	trans	-75.1	-37.3	175.8	-58	0	0	0	0	111.8	S890 Q895	S890-S892 PolarHBondContact O-N 3.47Å; S890-S892 VanDerWaalsContact O-N 3.08Å; S890-S892 PolarHBondContact OG-N 3.43Å; S892-Q895 PolarHBondContact O-N 3Å
893	D	78.1	Confident	74.9	Confident	76 Å²	76	78.7 Å²	78.7	41%	0.406	45%	0.448	S	S	.	.	H	α-helix	trans	-66.3	-43.3	174.1	-54.6	-54.7	0	0	0	110.3	S890 Q895 S896 W897	S890-D893 WeakPolarHBondContact CB-OD2 3.29Å; S890-D893 PolarHBondContact N-OD2 3.02Å; S890-D893 WeakPolarHBondContact O-CB 3.49Å; S890-D893 PolarHBondContact O-N 2.93Å; S890-D893 PolarHBondContact OG-N 2.98Å; S890-D893 PolarHBondContact OG-OD2 3.16Å; D893-Q895 VanDerWaalsContact C-N 3.27Å; D893-Q895 PolarHBondContact O-N 3.34Å; D893-S896 WeakPolarHBondContact O-CA 3.24Å; D893-S896 WeakPolarHBondContact O-CB 3.39Å; D893-S896 PolarHBondContact O-N 3.03Å; D893-S896 PolarHBondContact O-OG 3.12Å; D893-W897 PolarHBondContact O-NE1 3.13Å
894	M	80.1	Confident	71.9	Confident	14 Å²	14	83.3 Å²	83.3	7%	0.069	48%	0.48	C	S	.	.	H	α-helix	trans	-59.3	-35.2	179	-64.1	-179.6	75.3	0	0	112.8	M863 S890 S896 W897	M863-M894 HydrophobicContact CB-CE 4.14Å; M863-M894 HydrophobicContact CE-CE 4.02Å; M863-M894 HydrophobicContact CE-SD 4.37Å; M863-M894 HydrophobicContact CG-CE 4.38Å; S890-M894 WeakPolarHBondContact O-CG 3.46Å; S890-M894 PolarHBondContact O-N 3.19Å; M894-S896 PolarHBondContact O-N 2.74Å; M894-W897 HydrophobicContact CB-CD2 4.36Å; M894-W897 HydrophobicContact CB-CE3 4.32Å; M894-W897 HydrophobicContact CB-CH2 4.49Å; M894-W897 HydrophobicContact CB-CZ2 4.47Å; M894-W897 HydrophobicContact CB-CZ3 4.39Å; M894-W897 HydrophobicContact CE-CH2 3.97Å; M894-W897 HydrophobicContact CE-CZ3 3.84Å; M894-W897 HydrophobicContact CG-CD2 4.48Å; M894-W897 HydrophobicContact CG-CE3 4.38Å; M894-W897 HydrophobicContact CG-CH2 3.69Å; M894-W897 HydrophobicContact CG-CZ2 3.73Å; M894-W897 HydrophobicContact CG-CZ3 4.01Å; M894-W897 PolarHBondContact O-N 2.93Å; M894-W897 HydrophobicContact SD-CH2 4.45Å
895	Q	74.8	Confident	69.2	Low	169 Å²	169	90.3 Å²	90.3	79%	0.79	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-16.3	174.4	-72.2	171.8	22.9	0	0	113.9	P891 S892 D893	P891-Q895 WeakPolarHBondContact O-CG 3.18Å; P891-Q895 PolarHBondContact O-N 2.96Å; S892-Q895 PolarHBondContact O-N 3Å; D893-Q895 VanDerWaalsContact C-N 3.27Å; D893-Q895 PolarHBondContact O-N 3.34Å
896	S	77.1	Confident	66.4	Low	91 Å²	91	96.7 Å²	96.7	64%	0.636	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-3.9	178.1	77.3	0	0	0	0	114	D893 M894	D893-S896 WeakPolarHBondContact O-CA 3.24Å; D893-S896 WeakPolarHBondContact O-CB 3.39Å; D893-S896 PolarHBondContact O-N 3.03Å; D893-S896 PolarHBondContact O-OG 3.12Å; M894-S896 PolarHBondContact O-N 2.74Å
897	W	83	Confident	63.5	Low	28 Å²	28	107.5 Å²	107.5	11%	0.106	57%	0.57	C	S	.	*	S	Bend	trans	-67.4	145.1	-175.6	-69.3	-7.2	0	0	0	112.6	P855 D859 M886 Y889 D893 M894	P855-W897 HydrophobicContact CB-CD2 3.75Å; P855-W897 HydrophobicContact CB-CE3 3.9Å; P855-W897 HydrophobicContact CB-CG 4.45Å; P855-W897 HydrophobicContact CB-CH2 3.66Å; P855-W897 HydrophobicContact CB-CZ2 3.53Å; P855-W897 HydrophobicContact CB-CZ3 3.86Å; P855-W897 HydrophobicContact CG-CD2 4.25Å; P855-W897 HydrophobicContact CG-CZ2 3.9Å; D859-W897 HydrophobicContact CB-CE3 4.45Å; D859-W897 HydrophobicContact CB-CZ3 3.88Å; M886-W897 HydrophobicContact SD-CH2 3.77Å; M886-W897 HydrophobicContact SD-CZ3 4.14Å; Y889-W897 HydrophobicContact CD1-CZ2 4.1Å; Y889-W897 HydrophobicContact CD2-CH2 4.22Å; Y889-W897 AromaticContact CD2-CZ2 3.82Å; Y889-W897 HydrophobicContact CD2-CZ2 3.82Å; Y889-W897 HydrophobicContact CE2-CZ2 4.37Å; Y889-W897 HydrophobicContact CG-CH2 4.42Å; Y889-W897 AromaticContact CG-CZ2 3.67Å; Y889-W897 HydrophobicContact CG-CZ2 3.67Å; D893-W897 PolarHBondContact O-NE1 3.13Å; M894-W897 HydrophobicContact CB-CD2 4.36Å; M894-W897 HydrophobicContact CB-CE3 4.32Å; M894-W897 HydrophobicContact CB-CH2 4.49Å; M894-W897 HydrophobicContact CB-CZ2 4.47Å; M894-W897 HydrophobicContact CB-CZ3 4.39Å; M894-W897 HydrophobicContact CE-CH2 3.97Å; M894-W897 HydrophobicContact CE-CZ3 3.84Å; M894-W897 HydrophobicContact CG-CD2 4.48Å; M894-W897 HydrophobicContact CG-CE3 4.38Å; M894-W897 HydrophobicContact CG-CH2 3.69Å; M894-W897 HydrophobicContact CG-CZ2 3.73Å; M894-W897 HydrophobicContact CG-CZ3 4.01Å; M894-W897 PolarHBondContact O-N 2.93Å; M894-W897 HydrophobicContact SD-CH2 4.45Å
898	P	76.4	Confident	60.8	Low	81 Å²	81	109.5 Å²	109.5	53%	0.526	58%	0.583	S	S	.	*	P	Polyproline II helix	trans	-66.3	138	-178.8	28.1	-34.8	0	0	0	111.1	K857	K857-P898 PolarHBondContact N-O 3.27Å
899	S	71.3	Confident	58.1	Low	75 Å²	75	113.3 Å²	113.3	52%	0.524	59%	0.591	S	S	.	*	P	Polyproline II helix	trans	-55.2	141	164.6	-54.7	0	0	0	0	109.9	V901	S899-V901 PolarHBondContact O-N 3.07Å
900	P	65.4	Low	55.4	Low	35 Å²	35	116.9 Å²	116.9	23%	0.227	61%	0.611	C	S	.	*	P	Polyproline II helix	trans	-56.1	138	179.7	24	-34.4	0	0	0	110.6	E851 L858 V902	E851-P900 WeakPolarHBondContact OE2-CB 3.4Å; L858-P900 HydrophobicContact CB-CG 4.32Å; P900-V902 PolarHBondContact O-N 3.3Å
901	V	49.5	Very low	52.9	Low	125 Å²	125	122.5 Å²	122.5	76%	0.758	63%	0.632	S	S	*	*			trans	-70.9	101.1	-178.6	178.4	0	0	0	0	108	S899 K903	S899-V901 PolarHBondContact O-N 3.07Å; V901-K903 PolarHBondContact O-N 3.01Å
902	V	44.6	Very low	50.6	Low	127 Å²	127	126 Å²	126	77%	0.77	64%	0.64	S	S	*	*			trans	-60.5	88.8	172.8	-176.8	0	0	0	0	108.6	P900 P904	P900-V902 PolarHBondContact O-N 3.3Å; V902-P904 VanDerWaalsContact O-CD 3.24Å; V902-P904 WeakPolarHBondContact O-CD 3.47Å; V902-P904 VanDerWaalsContact O-N 3.15Å
903	K	34.7	Very low	48.3	Very low	177 Å²	177	129.4 Å²	129.4	77%	0.77	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-56.5	117.3	164.9	-69.9	174.9	-176.7	168.3	0	105.7	V901 R905	V901-K903 PolarHBondContact O-N 3.01Å; K903-R905 PolarHBondContact O-N 3.1Å
904	P	26.4	Very low	45.9	Very low	110 Å²	110	132.4 Å²	132.4	71%	0.714	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-57.4	119.7	174.9	-21.8	33.3	0	0	0	107.3	V902 L906	V902-P904 VanDerWaalsContact O-CD 3.24Å; V902-P904 WeakPolarHBondContact O-CD 3.47Å; V902-P904 VanDerWaalsContact O-N 3.15Å; P904-L906 PolarHBondContact O-N 2.69Å
905	R	30.9	Very low	43.7	Very low	206 Å²	206	137.8 Å²	137.8	78%	0.777	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-49.8	117.3	167.8	-81.7	-175.1	170.4	-175	-4	105.5	K903 R907	K903-R905 PolarHBondContact O-N 3.1Å; R905-R907 VanDerWaalsContact C-N 3.34Å; R905-R907 PolarHBondContact O-N 3.39Å
906	L	27.8	Very low	41.4	Very low	172 Å²	172	133.1 Å²	133.1	90%	0.901	70%	0.701	S	S	*	*			trans	-59.4	98.4	-168.3	-86.7	169.1	0	0	0	109	P904 M908	P904-L906 PolarHBondContact O-N 2.69Å; L906-M908 PolarHBondContact O-N 2.91Å
907	R	27.1	Very low	39.2	Very low	228 Å²	228	134.4 Å²	134.4	86%	0.86	71%	0.71	S	S	*	*			trans	-62.5	106.9	175.6	-169.1	176.6	-169	169.5	4.5	105.2	R905 Q909	R905-R907 VanDerWaalsContact C-N 3.34Å; R905-R907 PolarHBondContact O-N 3.39Å; R907-Q909 PolarHBondContact O-N 2.92Å
908	M	27	Very low	37.2	Very low	183 Å²	183	139.4 Å²	139.4	90%	0.901	75%	0.746	S	S	*	*			trans	-64	79.6	175.1	-99.1	-71.2	177.5	0	0	108.5	L906 Q910	L906-M908 PolarHBondContact O-N 2.91Å; M908-Q910 PolarHBondContact O-N 2.89Å
909	Q	28.8	Very low	34.9	Very low	170 Å²	170	139 Å²	139	79%	0.794	76%	0.757	S	S	*	*			trans	-76.3	85.1	178.2	-167.7	173.1	35.2	0	0	106.4	R907 Q911	R907-Q909 PolarHBondContact O-N 2.92Å; Q909-Q911 PolarHBondContact O-N 3.1Å
910	Q	28.2	Very low	32.9	Very low	156 Å²	156	141.4 Å²	141.4	73%	0.729	77%	0.774	S	S	*	*			trans	-54.9	104.4	-174.4	-168.7	-179.3	74.7	0	0	109.5	M908 Q912	M908-Q910 PolarHBondContact O-N 2.89Å; Q910-Q912 VanDerWaalsContact C-N 3.35Å; Q910-Q912 PolarHBondContact O-N 3.13Å
911	Q	28.1	Very low	31.2	Very low	165 Å²	165	143.1 Å²	143.1	77%	0.771	80%	0.798	S	S	*	*			trans	-70.9	89.6	-178.7	-76.7	-172.8	-22.5	0	0	110.1	Q909 Q913	Q909-Q911 PolarHBondContact O-N 3.1Å; Q911-Q913 PolarHBondContact O-N 3.04Å; Q911-Q913 VanDerWaalsContact O-N 3.1Å
912	Q	28.1	Very low	30.3	Very low	167 Å²	167	145.3 Å²	145.3	78%	0.78	80%	0.804	S	S	*	*			trans	-76.9	90.6	163.3	-65.1	-169.6	6.4	0	0	108.7	Q910	Q910-Q912 VanDerWaalsContact C-N 3.35Å; Q910-Q912 PolarHBondContact O-N 3.13Å
913	Q	27.1	Very low	29.6	Very low	162 Å²	162	147.5 Å²	147.5	76%	0.757	81%	0.808	S	S	*	*			trans	-94.2	118.6	162.6	-69.2	-170.3	10.1	0	0	109.6	Q911	Q911-Q913 PolarHBondContact O-N 3.04Å; Q911-Q913 VanDerWaalsContact O-N 3.1Å
914	T	28.5	Very low	29.5	Very low	139 Å²	139	144.3 Å²	144.3	85%	0.853	81%	0.808	S	S	*	*			trans	-136.4	153.3	159.4	42.5	0	0	0	0	109.3
915	P	33.1	Very low	30.2	Very low	128 Å²	128	145 Å²	145	83%	0.831	81%	0.813	S	S	*	*			trans	-115.8	142.7	-140.3	37.9	-29.3	0	0	0	117.2
916	G	26.7	Very low	30.1	Very low	71 Å²	71	142.2 Å²	142.2	73%	0.732	82%	0.818	S	S	*	*			trans	81.3	155.3	159.6	0	0	0	0	0	116.4
917	S	31.2	Very low	30.2	Very low	118 Å²	118	137.7 Å²	137.7	83%	0.825	81%	0.813	S	S	*	*			cis	-165.6	-175.8	-7.9	-75.6	0	0	0	0	107.8
918	P	41.2	Very low	30.4	Very low	132 Å²	132	137.5 Å²	137.5	86%	0.857	81%	0.813	S	S	*	*				-116.9	166.2	-70	38.6	-26.1	0	0	0	112.1
919	G	27.4	Very low	30.4	Very low	74 Å²	74	138.5 Å²	138.5	76%	0.763	81%	0.813	S	S	*	*			trans	177.4	119.1	168.9	0	0	0	0	0	116.9
920	S	29.3	Very low	30.5	Very low	125 Å²	125	135.7 Å²	135.7	87%	0.874	81%	0.812	S	S	*	*			trans	41.1	108.2	159.4	-154.4	0	0	0	0	119.3
921	G	28.8	Very low	31.2	Very low	71 Å²	71	134.5 Å²	134.5	73%	0.732	82%	0.817	S	S	*	*			trans	-96.2	161.3	161.3	0	0	0	0	0	112.2
922	L	30.6	Very low	31.1	Very low	170 Å²	170	134.5 Å²	134.5	89%	0.89	82%	0.821	S	S	*	*			trans	-147.2	164.8	160.1	-107.3	171.9	0	0	0	110.2
923	M	30.1	Very low	31.3	Very low	173 Å²	173	136.9 Å²	136.9	85%	0.852	82%	0.823	S	S	*	*			trans	-85	157.7	-162.6	-65.5	-84.4	90.2	0	0	114.9
924	S	33	Very low	31.5	Very low	110 Å²	110	137.9 Å²	137.9	77%	0.769	83%	0.827	S	S	*	*			trans	-60.3	167.2	165.7	-39.7	0	0	0	0	112.3
925	P	40.8	Very low	31.6	Very low	126 Å²	126	136.2 Å²	136.2	82%	0.818	83%	0.827	S	S	*	*				-144.1	176.2	92.4	39.2	-24.5	0	0	0	115.9
926	T	30.4	Very low	31.3	Very low	146 Å²	146	134.8 Å²	134.8	90%	0.896	83%	0.827	S	S	*	*			trans	-71.6	152.1	178.6	44.6	0	0	0	0	114.1
927	G	28.4	Very low	31.5	Very low	77 Å²	77	137 Å²	137	79%	0.794	83%	0.831	S	S	*	*			trans	-145.4	134.5	166.6	0	0	0	0	0	111.4
928	R	30.7	Very low	32.4	Very low	224 Å²	224	136.6 Å²	136.6	85%	0.845	83%	0.825	S	S	*	*			trans	-93.5	156.1	170.6	-62	176.2	179.9	171.4	-0.7	109.2
929	F	28.3	Very low	31.8	Very low	205 Å²	205	136.9 Å²	136.9	90%	0.899	82%	0.819	S	S	*	*				162.3	152.5	119.4	-86.9	-64.1	0	0	0	112.5
930	S	29.9	Very low	31.9	Very low	111 Å²	111	142.4 Å²	142.4	78%	0.776	82%	0.823	S	S	*	*			trans	-100.4	169.6	179	-52.2	0	0	0	0	110.6
931	P	42.9	Very low	32.1	Very low	130 Å²	130	141.4 Å²	141.4	84%	0.844	82%	0.816	S	S	*	*			trans	-85.7	161.9	-154.9	34.3	-37.2	0	0	0	115.6
932	I	27.3	Very low	32.8	Very low	166 Å²	166	143.8 Å²	143.8	85%	0.851	82%	0.818	S	S	*	*			trans	-123.7	149.3	172.4	-71.2	177.6	0	0	0	109.8
933	R	31.5	Very low	32.6	Very low	217 Å²	217	140.9 Å²	140.9	82%	0.819	81%	0.812	S	S	*	*			trans	-113.6	-176.3	177	-85.7	-171.4	172.9	-165	0.1	111.2
934	H	31	Very low	32.6	Very low	182 Å²	182	143.7 Å²	143.7	84%	0.843	81%	0.814	S	S	*	*			trans	82.5	112.6	178.2	-47.8	-76.9	0	0	0	112.4
935	A	30.8	Very low	32.3	Very low	104 Å²	104	149.1 Å²	149.1	86%	0.86	82%	0.819	S	S	*	*			cis	87.5	111.2	28.5	0	0	0	0	0	114.9
936	A	26.4	Very low	32	Very low	99 Å²	99	148.1 Å²	148.1	82%	0.818	82%	0.815	S	S	*	*			trans	-152.8	155.4	165.5	0	0	0	0	0	110.5
937	S	31.7	Very low	32.5	Very low	118 Å²	118	146.7 Å²	146.7	83%	0.825	81%	0.808	S	S	*	*			trans	-147.2	171.7	174.3	-66.4	0	0	0	0	105.7
938	P	50.3	Low	32.6	Very low	108 Å²	108	147.1 Å²	147.1	70%	0.701	80%	0.804	S	S	*	*			cis	-135.5	-167.4	17.5	43.1	-24.8	0	0	0	114.2
939	D	28.3	Very low	32.5	Very low	138 Å²	138	143.5 Å²	143.5	74%	0.738	80%	0.802	S	S	*	*				-166.8	156	119.6	-105.1	-22.8	0	0	0	115.6
940	F	29.2	Very low	32.5	Very low	190 Å²	190	139 Å²	139	83%	0.833	79%	0.791	S	S	*	*			trans	13	127	167.3	-76.8	-95.1	0	0	0	124.3
941	S	34	Very low	32.6	Very low	105 Å²	105	138.5 Å²	138.5	73%	0.734	79%	0.787	S	S	*	*			trans	-96.1	-172.5	144.8	-52.8	0	0	0	0	108.9
942	P	43.8	Very low	31.9	Very low	120 Å²	120	142.3 Å²	142.3	78%	0.779	79%	0.786	S	S	*	*			cis	-147.5	169.1	9	43.6	-24.5	0	0	0	118.9
943	S	25.6	Very low	32.2	Very low	109 Å²	109	140.8 Å²	140.8	76%	0.762	78%	0.778	S	S	*	*			trans	-168.6	105.2	136.2	49.6	0	0	0	0	116.5
944	R	30.3	Very low	32.2	Very low	233 Å²	233	139.1 Å²	139.1	88%	0.879	78%	0.779	S	S	*	*			trans	38.2	112	137.4	-48.2	174.5	-155.2	-112.8	1.2	120.1
945	Y	26.7	Very low	32.2	Very low	224 Å²	224	141.4 Å²	141.4	88%	0.878	78%	0.781	S	S	*	*				-162.8	149.2	101.3	-119	-82.3	0	0	0	112.7
946	S	33.6	Very low	32.3	Very low	105 Å²	105	144.8 Å²	144.8	73%	0.734	78%	0.783	S	S	*	*			trans	-177	164.7	178.2	-81.4	0	0	0	0	107
947	P	41.8	Very low	32.5	Very low	115 Å²	115	150.3 Å²	150.3	75%	0.747	78%	0.783	S	S	*	*			cis	-139.4	-177	18.1	45.3	-28.1	0	0	0	115.8
948	A	30.6	Very low	32.4	Very low	87 Å²	87	153 Å²	153	72%	0.719	78%	0.78	S	S	*	*			trans	44.4	164.8	135.5	0	0	0	0	0	122.1
949	N	27.9	Very low	31.4	Very low	148 Å²	148	156.5 Å²	156.5	79%	0.791	79%	0.785	S	S	*	*			cis	-164.4	165.1	1.8	-135.6	-4.7	0	0	0	112.9
950	V	28.8	Very low	31.6	Very low	111 Å²	111	158.8 Å²	158.8	67%	0.673	79%	0.79	S	S	*	*			trans	64	114.6	141.3	168.4	0	0	0	0	123.1
951	S	31.7	Very low	31.7	Very low	99 Å²	99	157.6 Å²	157.6	69%	0.692	79%	0.792	S	S	*	*			trans	45.9	148.1	138	85.8	0	0	0	0	124.7
952	Y	27.9	Very low	31.5	Very low	210 Å²	210	157.6 Å²	157.6	82%	0.824	79%	0.792	S	S	*	*				-159.1	179.6	104.8	-150.9	-114.1	0	0	0	113.6
953	I	35.1	Very low	30.9	Very low	134 Å²	134	160.6 Å²	160.6	69%	0.687	80%	0.795	S	S	*	*			trans	-122.3	143.8	-173.8	-67.9	163.7	0	0	0	110.1
954	Q	31.2	Very low	32.5	Very low	182 Å²	182	160.3 Å²	160.3	85%	0.85	79%	0.791	S	S	*	*			trans	-159.5	147.8	139.9	-115.7	162.8	16.1	0	0	115.7
955	R	31.4	Very low	32.9	Very low	230 Å²	230	156.3 Å²	156.3	87%	0.868	79%	0.786	S	S	*	*			trans	-107.9	158.7	166.9	-56.7	169.4	176.1	161.7	-4.3	108.1
956	L	31.6	Very low	33.5	Very low	175 Å²	175	158.5 Å²	158.5	92%	0.916	80%	0.801	S	S	*	*			trans	-138.9	165.9	148.7	-101.1	173.7	0	0	0	111.4
957	R	30.3	Very low	33.5	Very low	216 Å²	216	161.2 Å²	161.2	82%	0.815	80%	0.804	S	S	*	*			trans	-133.1	166.5	-165.7	-101	-178.4	166.6	178.1	-5.5	111.5
958	F	29.4	Very low	33.1	Very low	175 Å²	175	163.6 Å²	163.6	77%	0.768	81%	0.807	S	S	*	*			trans	121.2	148.3	155	-67.1	-52.8	0	0	0	113.4
959	K	29.6	Very low	33.2	Very low	181 Å²	181	167.9 Å²	167.9	79%	0.787	81%	0.812	S	S	*	*			cis	-151.8	170.5	-0	-132.7	155.4	-171.4	176	0	110.5
960	H	33.9	Very low	33.5	Very low	185 Å²	185	169.1 Å²	169.1	86%	0.856	81%	0.813	S	S	*	*			trans	-77.6	151.4	163.1	-100.7	10.9	0	0	0	111.2
961	L	31.4	Very low	33.8	Very low	166 Å²	166	172.7 Å²	172.7	87%	0.869	82%	0.822	S	S	*	*			trans	-163.4	141.5	146.8	-106.1	167	0	0	0	111.9
962	S	29.8	Very low	34	Very low	105 Å²	105	177.6 Å²	177.6	73%	0.734	83%	0.831	S	S	*	*			trans	-7.5	148.8	167.9	53.2	0	0	0	0	125.1
963	E	31.3	Very low	34.4	Very low	182 Å²	182	175.3 Å²	175.3	85%	0.85	83%	0.831	S	S	*	*			trans	-43	178.8	146.7	-70.2	-176.5	143.5	0	0	116.9
964	P	57.9	Low	34.4	Very low	103 Å²	103	178.5 Å²	178.5	67%	0.669	84%	0.842	S	S	*	*			cis	-135.2	-160.7	-26.6	30.5	-7.8	0	0	0	113
965	L	38.4	Very low	34.6	Very low	149 Å²	149	178.2 Å²	178.2	78%	0.78	84%	0.842	S	S	*	*			trans	72.5	111.5	159.9	-64.3	164.9	0	0	0	118.9
966	F	40.7	Very low	34.9	Very low	271 Å²	271	173.5 Å²	173.5	100%	1.189	84%	0.839	S	S	*	*				-156.3	0	88.9	-117.7	-78.4	0	0	0	111.6

Retrieved 966 of 966 residues in 335.1 ms (Link to these results)

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