A0A077ZLU0_TRITR Loading...

Methionine synthase

Catalyzes the transfer of a methyl group from methyl-cobalamin to homocysteine, yielding enzyme-bound cob(I)alamin and methionine. Subsequently, remethylates the cofactor using methyltetrahydrofolate.

AlphaFold DB , UniProt , Accession A0A077ZLU0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,220 aa.

						>A0A077ZLU0_TRITR|A0A077ZLU0
MRAQLNERILVLDGGMGTMIQSYRLNEADFRGERFADWPCDLKGNNDLLVLSKPEVIAAIHNAYFEAGADIIETNTFNSTTIAMADYQMESLSAEINFAAAKLARACADEWTARTPEKPRYVAGVLGPTNRTASISPDVNDPAFRNITFDGLVAAYRESTKALVEGGADLILIETVFDTLNAKAAVFAVKTEFEALGVELPIMISGTITDASGRTLSGQTTEAFYNSLRHAEALSFGLNCALGPDELRQYVQELSRIAECYVTAHPNAGLPNAFGEYDLDADTMAKQIREWAQAGFLNIVGGCCGTTPQHIAAMSRAVEGLAPRKLPEIPVACRLSGLEPLNIGEDSLFVNVGERTNVTGSAKFKRLIKEEKYSEALDVARQQVENGAQIIDINMDEGMLDAEAAMVRFLNLIAGEPDIARVPIMIDSSKWDVIEKGLKCIQGKGIVNSISMKEGVDAFIHHAKLLRRYGAAVVVMAFDEQGQADTRARKIEICRRAYKILTEEVGFPPEDIIFDPNIFAVATGIEEHNNYAQDFIGACEDIKRELPHALISGGVSNVSFSFRGNDPVREAIHAVFLYYAIRNGMDMGIVNAGQLAIYDDLPAELRDAVEDVILNRRDDGTERLLELAEKYRGSKTDDTANAQQAEWRSWEVNKRLEYSLVKGITEFIEQDTEEARQQATRPIEVIEGPLMDGMNVVGDLFGEGKMFLPQVVKSARVMKQAVAYLEPFIEASKEQGKTNGKMVIATVKGDVHDIGKNIVGVVLQCNNYEIVDLGVMVPAEKILRTAKEVNADLIGLSGLITPSLDEMVNVAKEMERQGFTIPLLIGGATTSKAHTAVKIEQNYSGPTVYVQNASRTVGVVAALLSDTQRDDFVARTRKEYETVRIQHGRKKPRTPPVTLEAARDNDFAFDWQAYTPPVAHRLGVQEVEASIETLRNYIDWTPFFMTWSLAGKYPRILEDEVVGVEAQRLFKDANDMLDKLSAEKTLNPRGVVGLFPANRVGDDIEIYRDETRTHVINVSHHLRQQTEKTGFANYCLADFVAPKLSGKADYIGAFAVTGGLEEDALADAFEAQHDDYNKIMVKALADRLAEAFAEYLHERVRKVYWGYAPNENLSNEELIRENYQGIRPAPGYPACPEHTEKATIWELLEVEKHTGMKLTESFAMWPGASVSGWYFSHPDSKYYAVAQIQRDQVEDYARRKGMSVTEVERWLAPNLGYDAD
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	90.1	Very high	94.6	Very high	39 Å²	39	54.5 Å²	54.5	19%	0.192	27%	0.266	C	S	.	.				0	-65	0	-162.1	175.8	-177.1	0	0	114.1	A3 Q4 L5 L10 I71 Y121 L170 M203 L234 I299	M1-A3 VanDerWaalsContact C-N 3.3Å; M1-A3 PolarHBondContact O-N 2.86Å; M1-A3 VanDerWaalsContact O-N 3.16Å; M1-Q4 WeakPolarHBondContact O-CA 3.45Å; M1-Q4 WeakPolarHBondContact O-CB 3.48Å; M1-Q4 PolarHBondContact O-N 3.41Å; M1-L5 HydrophobicContact CE-CD1 4.39Å; M1-L5 HydrophobicContact CG-CD1 4.12Å; M1-L5 HydrophobicContact CG-CG 4.46Å; M1-L5 PolarHBondContact O-N 3.05Å; M1-L5 VanDerWaalsContact O-N 3.11Å; M1-L10 HydrophobicContact CE-CD1 4.35Å; M1-L10 HydrophobicContact CG-CD1 4.19Å; M1-I71 HydrophobicContact CE-CD1 3.53Å; M1-I71 HydrophobicContact CE-CG1 4.32Å; M1-Y121 WeakPolarHBondContact CA-OH 3.47Å; M1-Y121 HydrophobicContact CB-CD1 4.43Å; M1-Y121 HydrophobicContact CB-CE1 3.92Å; M1-Y121 HydrophobicContact CB-CE2 4.44Å; M1-Y121 PolarHBondContact N-OH 3.15Å; M1-L170 HydrophobicContact CE-CD2 3.72Å; M1-L170 HydrophobicContact SD-CD2 3.63Å; M1-M203 HydrophobicContact CE-SD 4.17Å; M1-L234 HydrophobicContact CE-CD2 3.75Å; M1-L234 HydrophobicContact CG-CD2 4.45Å; M1-L234 HydrophobicContact SD-CD2 3.61Å; M1-I299 HydrophobicContact CE-CD1 3.95Å
2	R	92.7	Very high	94.9	Very high	145 Å²	145	50 Å²	50	55%	0.547	24%	0.244	S	C	.	.	H	α-helix	trans	-50.2	-42.2	-177	-71	-175.8	-173.9	-93.9	2.7	115	Q4 L5 N6 L234	R2-Q4 VanDerWaalsContact C-N 3.3Å; R2-Q4 PolarHBondContact O-N 3.08Å; R2-L5 PolarHBondContact O-N 3.27Å; R2-N6 PolarHBondContact O-N 2.73Å; R2-L234 HydrophobicContact CG-CD1 3.84Å
3	A	92.2	Very high	95.2	Very high	64 Å²	64	46.2 Å²	46.2	53%	0.529	23%	0.226	S	C	.	.	H	α-helix	trans	-57.2	-42.3	174.7	0	0	0	0	0	112.4	M1 N6 E7	M1-A3 VanDerWaalsContact C-N 3.3Å; M1-A3 PolarHBondContact O-N 2.86Å; M1-A3 VanDerWaalsContact O-N 3.16Å; A3-N6 PolarHBondContact O-N 3.26Å; A3-E7 WeakPolarHBondContact O-CG 3.35Å; A3-E7 PolarHBondContact O-N 2.82Å
4	Q	93.1	Very high	95.2	Very high	36 Å²	36	43 Å²	43	17%	0.168	21%	0.21	C	C	.	.	H	α-helix	trans	-69.3	-38.1	178.6	-67.2	-77.3	-66.2	0	0	112.5	M1 R2 N6 E7 R8 L10	M1-Q4 WeakPolarHBondContact O-CA 3.45Å; M1-Q4 WeakPolarHBondContact O-CB 3.48Å; M1-Q4 PolarHBondContact O-N 3.41Å; R2-Q4 VanDerWaalsContact C-N 3.3Å; R2-Q4 PolarHBondContact O-N 3.08Å; Q4-N6 PolarHBondContact O-N 3.12Å; Q4-E7 PolarHBondContact NE2-OE2 3.23Å; Q4-E7 VanDerWaalsContact NE2-OE2 3.14Å; Q4-E7 PolarHBondContact O-N 2.98Å; Q4-R8 PolarHBondContact O-N 3.39Å; Q4-R8 VanDerWaalsContact O-O 3.09Å; Q4-R8 VanDerWaalsContact OE1-NH2 3.15Å; Q4-L10 HydrophobicContact CB-CD1 4.41Å; Q4-L10 HydrophobicContact CB-CD2 3.98Å
5	L	95.7	Very high	95.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-62.8	-25	177.3	-71.7	168.4	0	0	0	113.3	M1 R2 L10 L234 Y261 N298 I299	M1-L5 HydrophobicContact CE-CD1 4.39Å; M1-L5 HydrophobicContact CG-CD1 4.12Å; M1-L5 HydrophobicContact CG-CG 4.46Å; M1-L5 PolarHBondContact O-N 3.05Å; M1-L5 VanDerWaalsContact O-N 3.11Å; R2-L5 PolarHBondContact O-N 3.27Å; L5-L10 HydrophobicContact CD2-CB 4.44Å; L5-L10 HydrophobicContact CD2-CD1 3.71Å; L5-L10 HydrophobicContact CD2-CG 3.9Å; L5-L10 HydrophobicContact CG-CD1 3.98Å; L5-L10 HydrophobicContact CG-CG 4.49Å; L5-L234 HydrophobicContact CD1-CD1 4.07Å; L5-L234 HydrophobicContact CD1-CD2 4.04Å; L5-L234 HydrophobicContact CD1-CG 4.19Å; L5-Y261 HydrophobicContact CB-CD1 4.37Å; L5-Y261 HydrophobicContact CB-CD2 4.49Å; L5-Y261 HydrophobicContact CB-CE1 4.05Å; L5-Y261 HydrophobicContact CB-CE2 4.22Å; L5-Y261 HydrophobicContact CD1-CD2 3.72Å; L5-Y261 HydrophobicContact CD1-CE2 3.85Å; L5-Y261 HydrophobicContact CD1-CG 4.26Å; L5-N298 HydrophobicContact CD2-CB 4.14Å; L5-I299 HydrophobicContact CD2-CD1 3.83Å; L5-I299 HydrophobicContact CD2-CG1 3.46Å; L5-I299 VanDerWaalsContact CD2-CG1 3.46Å
6	N	93.6	Very high	95.1	Very high	105 Å²	105	39.4 Å²	39.4	56%	0.561	20%	0.196	S	C	*	.	H	α-helix	trans	-83.2	-22	174.1	-69.1	-24.8	0	0	0	112.9	R2 A3 Q4 Y261	R2-N6 PolarHBondContact O-N 2.73Å; A3-N6 PolarHBondContact O-N 3.26Å; Q4-N6 PolarHBondContact O-N 3.12Å; N6-Y261 PolarHBondContact OD1-OH 3.28Å
7	E	93.2	Very high	94.8	Very high	134 Å²	134	38.8 Å²	38.8	63%	0.626	20%	0.202	S	C	*	.	H	α-helix	trans	-94.7	-38.3	-175.8	-72.3	172	-177.9	0	0	112.4	A3 Q4	A3-E7 WeakPolarHBondContact O-CG 3.35Å; A3-E7 PolarHBondContact O-N 2.82Å; Q4-E7 PolarHBondContact NE2-OE2 3.23Å; Q4-E7 VanDerWaalsContact NE2-OE2 3.14Å; Q4-E7 PolarHBondContact O-N 2.98Å
8	R	95.7	Very high	94.5	Very high	68 Å²	68	38.3 Å²	38.3	26%	0.257	20%	0.201	S	C	.	.	S	Bend	trans	-153.7	164.3	-174.4	66.3	-179.8	-177.4	97.4	-3.4	112.4	Q4 L10 D70	Q4-R8 PolarHBondContact O-N 3.39Å; Q4-R8 VanDerWaalsContact O-O 3.09Å; Q4-R8 VanDerWaalsContact OE1-NH2 3.15Å; R8-L10 HydrophobicContact CG-CD2 4.22Å; R8-D70 IonicContact CZ-OD1 3.44Å; R8-D70 IonicContact CZ-OD2 3.62Å; R8-D70 IonicContact NH1-OD1 3.27Å; R8-D70 PolarHBondContact NH1-OD1 3.11Å; R8-D70 IonicContact NH1-OD2 2.79Å; R8-D70 PolarHBondContact NH1-OD2 2.87Å; R8-D70 IonicContact NH2-OD1 2.72Å; R8-D70 PolarHBondContact NH2-OD1 2.78Å; R8-D70 IonicContact NH2-OD2 3.61Å
9	I	98	Very high	94.4	Very high	6 Å²	6	37.6 Å²	37.6	3%	0.031	20%	0.197	C	C	.	.			trans	-74.4	127	168.3	-58.1	175.9	0	0	0	108.4	A292 N298 V300 V318 P323	I9-A292 HydrophobicContact CD1-CB 3.62Å; I9-N298 WeakPolarHBondContact CA-O 3.36Å; I9-V300 HydrophobicContact CG2-CG1 4.14Å; I9-V318 HydrophobicContact CB-CB 4.25Å; I9-V318 HydrophobicContact CB-CG2 4.32Å; I9-V318 HydrophobicContact CD1-CB 4.27Å; I9-V318 HydrophobicContact CD1-CG1 4.49Å; I9-V318 HydrophobicContact CG2-CB 4.26Å; I9-V318 HydrophobicContact CG2-CG1 4.4Å; I9-V318 HydrophobicContact CG2-CG2 4.24Å; I9-P323 HydrophobicContact CG1-CB 4.07Å
10	L	98	Very high	94.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	153.4	174.8	-62.4	-172.9	0	0	0	111.3	M1 Q4 L5 R8 D70 I71 N298 I299 V300	M1-L10 HydrophobicContact CE-CD1 4.35Å; M1-L10 HydrophobicContact CG-CD1 4.19Å; Q4-L10 HydrophobicContact CB-CD1 4.41Å; Q4-L10 HydrophobicContact CB-CD2 3.98Å; L5-L10 HydrophobicContact CD2-CB 4.44Å; L5-L10 HydrophobicContact CD2-CD1 3.71Å; L5-L10 HydrophobicContact CD2-CG 3.9Å; L5-L10 HydrophobicContact CG-CD1 3.98Å; L5-L10 HydrophobicContact CG-CG 4.49Å; R8-L10 HydrophobicContact CG-CD2 4.22Å; L10-D70 WeakPolarHBondContact CA-OD2 3.45Å; L10-D70 HydrophobicContact CB-CB 4.33Å; L10-D70 HydrophobicContact CD2-CB 4.31Å; L10-I71 HydrophobicContact CB-CD1 4.47Å; L10-I71 HydrophobicContact CD1-CD1 4.4Å; L10-N298 PolarHBondContact N-O 3.22Å; L10-I299 HydrophobicContact CB-CG1 4.26Å; L10-I299 CarbonylContact O-C 3.2Å; L10-I299 VanDerWaalsContact O-CA 3.3Å; L10-I299 WeakPolarHBondContact O-CA 3.37Å; L10-V300 PolarHBondContact O-N 3.2Å
11	V	98.4	Very high	94	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.012	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	119.4	179.9	-176.2	0	0	0	0	110.1	D70 I71 V300 I311 V318	V11-D70 PolarHBondContact N-OD2 3.16Å; V11-D70 WeakPolarHBondContact O-CA 3.35Å; V11-D70 WeakPolarHBondContact O-CB 3.47Å; V11-D70 PolarHBondContact O-N 2.92Å; V11-I71 PolarHBondContact O-N 3.47Å; V11-I71 VanDerWaalsContact O-N 3.12Å; V11-V300 CarbonylContact C-O 3.54Å; V11-V300 VanDerWaalsContact CA-O 3.29Å; V11-V300 WeakPolarHBondContact CA-O 3.31Å; V11-I311 HydrophobicContact CG1-CG2 3.78Å; V11-V318 HydrophobicContact CG2-CG2 4.21Å
12	L	98.3	Very high	93.9	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-83	161.5	166.8	-177.4	66.9	0	0	0	109.1	I71 E73 H265 I299 V300	L12-I71 HydrophobicContact CD1-CB 3.78Å; L12-I71 HydrophobicContact CD1-CG2 3.62Å; L12-E73 HydrophobicContact CD1-CG 4.06Å; L12-E73 VanDerWaalsContact CD2-OE1 3.31Å; L12-E73 WeakPolarHBondContact CD2-OE1 3.45Å; L12-H265 HydrophobicContact CD2-CB 4.26Å; L12-I299 HydrophobicContact CB-CG2 4.04Å; L12-V300 PolarHBondContact N-O 3.18Å
13	D	98.1	Very high	93.8	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	22%	0.218	C	C	.	.			trans	-74.9	-167	179.5	64	-26.9	0	0	0	113.5	Y64 A69 I71 I72 E73 G302 I311	D13-Y64 HydrophobicContact CB-CD1 4.29Å; D13-Y64 HydrophobicContact CB-CD2 4.04Å; D13-Y64 HydrophobicContact CB-CG 3.85Å; D13-A69 HydrophobicContact CB-CB 4.29Å; D13-I71 PolarHBondContact N-O 3.07Å; D13-I71 VanDerWaalsContact N-O 3.17Å; D13-I72 HydrophobicContact CB-CD1 3.58Å; D13-I72 HydrophobicContact CB-CG1 4.43Å; D13-I72 WeakPolarHBondContact OD2-CD1 3.44Å; D13-I72 VanDerWaalsContact OD2-CG1 3.26Å; D13-I72 WeakPolarHBondContact OD2-CG1 3.46Å; D13-E73 WeakPolarHBondContact OD1-CG 3.35Å; D13-E73 PolarHBondContact OD1-N 2.86Å; D13-E73 VanDerWaalsContact OD1-N 3.16Å; D13-E73 PolarHBondContact OD2-N 3.09Å; D13-E73 VanDerWaalsContact OD2-N 3.07Å; D13-G302 PolarHBondContact O-N 3.44Å; D13-I311 VanDerWaalsContact C-CD1 3.41Å; D13-I311 VanDerWaalsContact O-CD1 3.26Å; D13-I311 WeakPolarHBondContact O-CD1 3.38Å
14	G	95.7	Very high	93.6	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.01	23%	0.225	C	C	.	.			trans	-116.8	-170.7	-173.4	0	0	0	0	0	112.8	M16 G302 T306	G14-M16 PolarHBondContact O-N 3.2Å; G14-G302 CarbonylContact C-O 3.59Å; G14-G302 VanDerWaalsContact CA-O 3.24Å; G14-G302 WeakPolarHBondContact CA-O 3.2Å; G14-T306 VanDerWaalsContact CA-OG1 3.31Å; G14-T306 WeakPolarHBondContact CA-OG1 3.22Å
15	G	93.2	Very high	93.4	Very high	9 Å²	9	45.2 Å²	45.2	9%	0.093	22%	0.223	C	C	.	.			trans	-64.3	99.1	-176.5	0	0	0	0	0	115.1	G17 T18 M19 Y64 C303 T306	G15-G17 PolarHBondContact O-N 3.5Å; G15-T18 WeakPolarHBondContact O-CB 3.35Å; G15-T18 PolarHBondContact O-N 2.97Å; G15-T18 VanDerWaalsContact O-N 3.08Å; G15-M19 PolarHBondContact O-N 3.33Å; G15-M19 VanDerWaalsContact O-N 3.1Å; G15-Y64 PolarHBondContact N-OH 3.27Å; G15-Y64 PolarHBondContact O-OH 3.48Å; G15-C303 VanDerWaalsContact CA-O 3.31Å; G15-C303 WeakPolarHBondContact CA-O 3.49Å; G15-C303 PolarHBondContact N-O 3.23Å; G15-T306 PolarHBondContact N-O 2.82Å; G15-T306 PolarHBondContact N-OG1 2.88Å
16	M	95.5	Very high	93.2	Very high	20 Å²	20	49.1 Å²	49.1	10%	0.099	24%	0.244	C	C	.	.	H	α-helix	trans	-50.9	-50	173.6	178.5	57.8	69.6	0	0	112.5	G14 T18 M19 I20 I57 I60 H61 N75	G14-M16 PolarHBondContact O-N 3.2Å; M16-T18 VanDerWaalsContact C-N 3.31Å; M16-T18 PolarHBondContact O-N 3.01Å; M16-M19 PolarHBondContact O-N 2.82Å; M16-M19 VanDerWaalsContact O-N 3.13Å; M16-I20 HydrophobicContact CG-CD1 3.88Å; M16-I20 WeakPolarHBondContact O-CG1 3.48Å; M16-I20 PolarHBondContact O-N 2.61Å; M16-I20 HydrophobicContact SD-CD1 3.98Å; M16-I20 HydrophobicContact SD-CG1 4.21Å; M16-I57 HydrophobicContact SD-CD1 4.34Å; M16-I60 HydrophobicContact CE-CG2 3.96Å; M16-I60 HydrophobicContact SD-CB 4.36Å; M16-I60 HydrophobicContact SD-CD1 4.03Å; M16-I60 HydrophobicContact SD-CG2 3.81Å; M16-H61 WeakPolarHBondContact CE-CE1 3.32Å; M16-N75 HydrophobicContact CE-CB 4.33Å; M16-N75 HydrophobicContact CG-CB 4.27Å; M16-N75 WeakPolarHBondContact CG-OD1 3.43Å; M16-N75 HydrophobicContact SD-CB 4.45Å
17	G	90.1	Very high	93	Very high	29 Å²	29	46.2 Å²	46.2	30%	0.299	23%	0.227	S	C	.	.	H	α-helix	trans	-61.3	-36.3	178.6	0	0	0	0	0	113.5	G15 M19 I20 Q21	G15-G17 PolarHBondContact O-N 3.5Å; G17-M19 VanDerWaalsContact C-N 3.34Å; G17-I20 PolarHBondContact O-N 3.22Å; G17-Q21 VanDerWaalsContact O-CG 3.26Å; G17-Q21 WeakPolarHBondContact O-CG 3.45Å; G17-Q21 PolarHBondContact O-N 3.09Å
18	T	89	Confident	92.9	Very high	29 Å²	29	43.1 Å²	43.1	18%	0.178	22%	0.224	C	C	.	.	H	α-helix	trans	-64.1	-41	175.3	-58.3	0	0	0	0	111.1	G15 M16 S22 G305 T307	G15-T18 WeakPolarHBondContact O-CB 3.35Å; G15-T18 PolarHBondContact O-N 2.97Å; G15-T18 VanDerWaalsContact O-N 3.08Å; M16-T18 VanDerWaalsContact C-N 3.31Å; M16-T18 PolarHBondContact O-N 3.01Å; T18-S22 PolarHBondContact O-N 3.21Å; T18-G305 PolarHBondContact OG1-N 2.88Å; T18-T307 HydrophobicContact CG2-CG2 4.47Å
19	M	93.9	Very high	92.9	Very high	25 Å²	25	41.4 Å²	41.4	12%	0.123	22%	0.22	C	C	.	.	H	α-helix	trans	-69.1	-43.3	176.9	-70.3	-60	-63.8	0	0	112.2	G15 M16 G17 Q21 S22 Y23 I60 Y64 P308	G15-M19 PolarHBondContact O-N 3.33Å; G15-M19 VanDerWaalsContact O-N 3.1Å; M16-M19 PolarHBondContact O-N 2.82Å; M16-M19 VanDerWaalsContact O-N 3.13Å; G17-M19 VanDerWaalsContact C-N 3.34Å; M19-Q21 VanDerWaalsContact C-N 3.33Å; M19-Q21 PolarHBondContact O-N 3.35Å; M19-S22 WeakPolarHBondContact O-CB 3.34Å; M19-S22 PolarHBondContact O-N 2.81Å; M19-S22 VanDerWaalsContact O-N 3.11Å; M19-S22 PolarHBondContact O-OG 3.35Å; M19-Y23 VanDerWaalsContact O-CD2 3.24Å; M19-Y23 WeakPolarHBondContact O-CD2 3.42Å; M19-I60 HydrophobicContact CB-CB 4.47Å; M19-I60 HydrophobicContact CB-CD1 3.77Å; M19-I60 HydrophobicContact CB-CG1 3.9Å; M19-I60 HydrophobicContact CB-CG2 3.71Å; M19-I60 HydrophobicContact CG-CG2 4.02Å; M19-Y64 HydrophobicContact CG-CE2 3.94Å; M19-Y64 WeakPolarHBondContact CG-OH 3.43Å; M19-P308 HydrophobicContact CE-CG 4.06Å; M19-P308 WeakPolarHBondContact SD-CD 3.2Å; M19-P308 HydrophobicContact SD-CG 4.24Å
20	I	92.1	Very high	92.7	Very high	4 Å²	4	41.5 Å²	41.5	2%	0.021	22%	0.22	C	C	.	.	H	α-helix	trans	-58.5	-44.7	176.1	-68.6	167.4	0	0	0	111.1	M16 G17 S22 Y23 L25 N46 L49 I57 I60	M16-I20 HydrophobicContact CG-CD1 3.88Å; M16-I20 WeakPolarHBondContact O-CG1 3.48Å; M16-I20 PolarHBondContact O-N 2.61Å; M16-I20 HydrophobicContact SD-CD1 3.98Å; M16-I20 HydrophobicContact SD-CG1 4.21Å; G17-I20 PolarHBondContact O-N 3.22Å; I20-S22 PolarHBondContact O-N 3.23Å; I20-Y23 WeakPolarHBondContact O-CB 3.16Å; I20-Y23 PolarHBondContact O-N 3.32Å; I20-L25 HydrophobicContact CG2-CD1 4.28Å; I20-N46 HydrophobicContact CD1-CB 3.85Å; I20-L49 HydrophobicContact CD1-CD1 4.15Å; I20-L49 HydrophobicContact CG1-CD1 4.35Å; I20-L49 HydrophobicContact CG2-CD1 3.56Å; I20-I57 HydrophobicContact CD1-CD1 3.87Å; I20-I57 HydrophobicContact CG1-CD1 4.07Å; I20-I60 HydrophobicContact CG1-CD1 3.74Å
21	Q	88.2	Confident	92.5	Very high	137 Å²	137	43.3 Å²	43.3	64%	0.64	23%	0.227	S	C	*	.	H	α-helix	trans	-57.9	-32.4	177.5	-75.2	171.9	-6.2	0	0	112.8	G17 M19 Y23 R24	G17-Q21 VanDerWaalsContact O-CG 3.26Å; G17-Q21 WeakPolarHBondContact O-CG 3.45Å; G17-Q21 PolarHBondContact O-N 3.09Å; M19-Q21 VanDerWaalsContact C-N 3.33Å; M19-Q21 PolarHBondContact O-N 3.35Å; Q21-Y23 PolarHBondContact O-N 2.95Å; Q21-R24 PolarHBondContact O-N 3.46Å; Q21-R24 VanDerWaalsContact O-N 3.09Å
22	S	87.7	Confident	92.2	Very high	77 Å²	77	44.6 Å²	44.6	54%	0.538	24%	0.241	S	C	.	.	H	α-helix	trans	-65.2	-24.1	178.5	80.2	0	0	0	0	113.9	T18 M19 I20 R24	T18-S22 PolarHBondContact O-N 3.21Å; M19-S22 WeakPolarHBondContact O-CB 3.34Å; M19-S22 PolarHBondContact O-N 2.81Å; M19-S22 VanDerWaalsContact O-N 3.11Å; M19-S22 PolarHBondContact O-OG 3.35Å; I20-S22 PolarHBondContact O-N 3.23Å; S22-R24 VanDerWaalsContact C-N 3.29Å
23	Y	91.3	Very high	92	Very high	97 Å²	97	53.7 Å²	53.7	38%	0.38	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-11.2	175.4	-72.1	-92.4	0	0	0	113.4	M19 I20 Q21 L25 V56 I60	M19-Y23 VanDerWaalsContact O-CD2 3.24Å; M19-Y23 WeakPolarHBondContact O-CD2 3.42Å; I20-Y23 WeakPolarHBondContact O-CB 3.16Å; I20-Y23 PolarHBondContact O-N 3.32Å; Q21-Y23 PolarHBondContact O-N 2.95Å; Y23-L25 VanDerWaalsContact C-N 3.28Å; Y23-L25 PolarHBondContact O-N 3.06Å; Y23-V56 HydrophobicContact CD1-CG1 4Å; Y23-V56 HydrophobicContact CD1-CG2 4.47Å; Y23-V56 HydrophobicContact CD2-CG1 3.76Å; Y23-V56 HydrophobicContact CE1-CG1 4.05Å; Y23-V56 HydrophobicContact CE2-CG1 3.82Å; Y23-V56 HydrophobicContact CG-CG1 3.86Å; Y23-I60 HydrophobicContact CD2-CD1 4.41Å; Y23-I60 HydrophobicContact CE2-CD1 3.92Å; Y23-I60 HydrophobicContact CE2-CG1 3.8Å
24	R	87.9	Confident	91.9	Very high	180 Å²	180	60.2 Å²	60.2	68%	0.679	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	40.8	177.2	-54.8	-179.5	-178.1	-171.1	-0.3	113.8	Q21 S22	Q21-R24 PolarHBondContact O-N 3.46Å; Q21-R24 VanDerWaalsContact O-N 3.09Å; S22-R24 VanDerWaalsContact C-N 3.29Å
25	L	88	Confident	91.9	Very high	25 Å²	25	60.5 Å²	60.5	13%	0.131	31%	0.309	C	S	.	.			trans	-60.8	144.6	179.9	-58.1	178.7	0	0	0	111.9	I20 Y23 D29 F30 L49	I20-L25 HydrophobicContact CG2-CD1 4.28Å; Y23-L25 VanDerWaalsContact C-N 3.28Å; Y23-L25 PolarHBondContact O-N 3.06Å; L25-D29 HydrophobicContact CB-CB 4Å; L25-D29 HydrophobicContact CD2-CB 4.07Å; L25-D29 HydrophobicContact CG-CB 4.49Å; L25-F30 HydrophobicContact CB-CD2 4.43Å; L25-F30 HydrophobicContact CB-CE2 3.82Å; L25-L49 HydrophobicContact CD1-CD1 3.62Å; L25-L49 HydrophobicContact CD1-CD2 3.84Å; L25-L49 HydrophobicContact CD1-CG 4.41Å
26	N	90.5	Very high	91.9	Very high	82 Å²	82	62.5 Å²	62.5	44%	0.439	32%	0.324	S	S	.	.			trans	-110.3	175.5	177.4	66.6	55.3	0	0	0	111.7	A28 D29 F30	N26-A28 VanDerWaalsContact C-N 3.26Å; N26-A28 PolarHBondContact O-N 2.67Å; N26-A28 WeakPolarHBondContact OD1-CB 3.49Å; N26-A28 PolarHBondContact OD1-N 2.76Å; N26-D29 VanDerWaalsContact CG-OD2 3.3Å; N26-D29 PolarHBondContact N-OD2 3.47Å; N26-D29 PolarHBondContact ND2-OD2 2.98Å; N26-D29 VanDerWaalsContact O-CB 3.31Å; N26-D29 WeakPolarHBondContact O-CB 3.15Å; N26-D29 PolarHBondContact O-N 3.24Å; N26-D29 PolarHBondContact OD1-N 2.96Å; N26-D29 PolarHBondContact OD1-OD2 2.95Å; N26-F30 WeakPolarHBondContact O-CD2 3.37Å; N26-F30 PolarHBondContact O-N 3.39Å
27	E	90.4	Very high	91.7	Very high	44 Å²	44	69.4 Å²	69.4	21%	0.206	36%	0.362	C	S	.	.	H	α-helix	trans	-51.6	-40.2	-178.4	-178.1	62.8	-162.1	0	0	113.9	D29 F30 R31 D41 L42 K43	E27-D29 VanDerWaalsContact C-N 3.27Å; E27-D29 PolarHBondContact O-N 3.1Å; E27-F30 PolarHBondContact O-N 3.07Å; E27-R31 WeakPolarHBondContact O-CG 3.42Å; E27-R31 PolarHBondContact O-N 2.81Å; E27-R31 IonicContact OE1-CZ 3.81Å; E27-R31 IonicContact OE1-NE 3.21Å; E27-R31 PolarHBondContact OE1-NE 3Å; E27-R31 IonicContact OE1-NH2 3.86Å; E27-R31 PolarHBondContact OE1-NH2 3.4Å; E27-D41 WeakPolarHBondContact OE1-CA 3.32Å; E27-L42 PolarHBondContact OE1-N 2.96Å; E27-L42 PolarHBondContact OE2-N 3.14Å; E27-K43 WeakPolarHBondContact OE2-CA 2.97Å; E27-K43 WeakPolarHBondContact OE2-CB 3.25Å; E27-K43 PolarHBondContact OE2-N 3.16Å
28	A	92	Very high	92	Very high	68 Å²	68	71 Å²	71	56%	0.562	36%	0.359	S	S	*	.	H	α-helix	trans	-66.6	-30.2	179.5	0	0	0	0	0	112.3	N26 G32	N26-A28 VanDerWaalsContact C-N 3.26Å; N26-A28 PolarHBondContact O-N 2.67Å; N26-A28 WeakPolarHBondContact OD1-CB 3.49Å; N26-A28 PolarHBondContact OD1-N 2.76Å; A28-G32 PolarHBondContact O-N 3.49Å
29	D	93.9	Very high	92	Very high	33 Å²	33	74.3 Å²	74.3	18%	0.176	38%	0.38	C	S	.	.	H	α-helix	trans	-68.3	-40.4	174.5	-66.7	-56.8	0	0	0	112.2	L25 N26 E27 S52 K53	L25-D29 HydrophobicContact CB-CB 4Å; L25-D29 HydrophobicContact CD2-CB 4.07Å; L25-D29 HydrophobicContact CG-CB 4.49Å; N26-D29 VanDerWaalsContact CG-OD2 3.3Å; N26-D29 PolarHBondContact N-OD2 3.47Å; N26-D29 PolarHBondContact ND2-OD2 2.98Å; N26-D29 VanDerWaalsContact O-CB 3.31Å; N26-D29 WeakPolarHBondContact O-CB 3.15Å; N26-D29 PolarHBondContact O-N 3.24Å; N26-D29 PolarHBondContact OD1-N 2.96Å; N26-D29 PolarHBondContact OD1-OD2 2.95Å; E27-D29 VanDerWaalsContact C-N 3.27Å; E27-D29 PolarHBondContact O-N 3.1Å; D29-S52 PolarHBondContact O-OG 2.97Å; D29-K53 WeakPolarHBondContact O-CE 3.44Å; D29-K53 WeakPolarHBondContact OD1-CE 3.47Å; D29-K53 IonicContact OD1-NZ 3.29Å; D29-K53 PolarHBondContact OD1-NZ 3.03Å
30	F	93.8	Very high	91.7	Very high	7 Å²	7	74.6 Å²	74.6	3%	0.031	39%	0.385	C	S	.	.	H	α-helix	trans	-68.3	-42.6	176.6	-75.6	-97	0	0	0	111.5	L25 N26 E27 L42 K43 N45 L48 L49 S52	L25-F30 HydrophobicContact CB-CD2 4.43Å; L25-F30 HydrophobicContact CB-CE2 3.82Å; N26-F30 WeakPolarHBondContact O-CD2 3.37Å; N26-F30 PolarHBondContact O-N 3.39Å; E27-F30 PolarHBondContact O-N 3.07Å; F30-L42 HydrophobicContact CB-CB 4.03Å; F30-L42 WeakPolarHBondContact CD1-O 3.46Å; F30-K43 HydrophobicContact CD2-CB 4.19Å; F30-K43 HydrophobicContact CD2-CG 4.27Å; F30-K43 HydrophobicContact CE2-CB 4.4Å; F30-K43 HydrophobicContact CE2-CG 4.03Å; F30-N45 WeakPolarHBondContact CD1-O 3.31Å; F30-L48 WeakPolarHBondContact O-CD2 3.44Å; F30-L49 HydrophobicContact CD1-CD2 3.8Å; F30-L49 HydrophobicContact CD1-CG 4.08Å; F30-L49 HydrophobicContact CE1-CD1 3.93Å; F30-L49 HydrophobicContact CE1-CD2 3.97Å; F30-L49 HydrophobicContact CE1-CG 3.91Å; F30-L49 HydrophobicContact CG-CD2 4.1Å; F30-L49 HydrophobicContact CZ-CD1 4.15Å; F30-L49 HydrophobicContact CZ-CD2 4.4Å; F30-S52 VanDerWaalsContact O-CB 3.25Å; F30-S52 WeakPolarHBondContact O-CB 3.36Å; F30-S52 PolarHBondContact O-OG 3.36Å
31	R	95.5	Very high	91.6	Very high	39 Å²	39	80.2 Å²	80.2	15%	0.147	42%	0.415	C	S	.	.	H	α-helix	trans	-64.8	-44	178.9	-72.5	-179.8	-179.1	-90.7	-15.2	113.1	E27 F35 A36 W38 C40 L42	E27-R31 WeakPolarHBondContact O-CG 3.42Å; E27-R31 PolarHBondContact O-N 2.81Å; E27-R31 IonicContact OE1-CZ 3.81Å; E27-R31 IonicContact OE1-NE 3.21Å; E27-R31 PolarHBondContact OE1-NE 3Å; E27-R31 IonicContact OE1-NH2 3.86Å; E27-R31 PolarHBondContact OE1-NH2 3.4Å; R31-F35 PolarHBondContact NH1-O 2.95Å; R31-F35 WeakPolarHBondContact O-CB 3.44Å; R31-F35 WeakPolarHBondContact O-CD2 3.3Å; R31-F35 PolarHBondContact O-N 2.99Å; R31-F35 VanDerWaalsContact O-N 3.1Å; R31-A36 PolarHBondContact NH1-O 3.07Å; R31-W38 PolarHBondContact NH1-O 2.87Å; R31-C40 PolarHBondContact NH2-O 3.49Å; R31-L42 HydrophobicContact CG-CD1 3.8Å; R31-L42 HydrophobicContact CG-CG 4.47Å
32	G	91.7	Very high	91.7	Very high	29 Å²	29	73.7 Å²	73.7	30%	0.299	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.1	-156.4	-167.3	0	0	0	0	0	112.2	A28	A28-G32 PolarHBondContact O-N 3.49Å
33	E	92.5	Very high	91.7	Very high	192 Å²	192	76.4 Å²	76.4	90%	0.897	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-36.2	175.6	-65.2	-175.8	171.9	0	0	112.4	F35	E33-F35 PolarHBondContact O-N 3.17Å
34	R	96.2	Very high	91.4	Very high	138 Å²	138	73.5 Å²	73.5	52%	0.521	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-33.4	-171.4	-178.1	177.6	170.3	-174.1	-1.5	113.3	E95	R34-E95 IonicContact CZ-OE1 3.84Å; R34-E95 IonicContact CZ-OE2 3.42Å; R34-E95 IonicContact NH1-OE1 2.67Å; R34-E95 PolarHBondContact NH1-OE1 2.64Å; R34-E95 IonicContact NH1-OE2 3.35Å; R34-E95 PolarHBondContact NH1-OE2 2.88Å; R34-E95 IonicContact NH2-OE1 2.75Å; R34-E95 IonicContact NH2-OE2 3Å; R34-E95 PolarHBondContact NH2-OE2 2.93Å
35	F	95.9	Very high	91.7	Very high	7 Å²	7	65.1 Å²	65.1	3%	0.031	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.4	24.1	-174.3	-46.8	-71.3	0	0	0	112.3	R31 E33 D37 W38 L42 L48 L51 M89 L92	R31-F35 PolarHBondContact NH1-O 2.95Å; R31-F35 WeakPolarHBondContact O-CB 3.44Å; R31-F35 WeakPolarHBondContact O-CD2 3.3Å; R31-F35 PolarHBondContact O-N 2.99Å; R31-F35 VanDerWaalsContact O-N 3.1Å; E33-F35 PolarHBondContact O-N 3.17Å; F35-D37 VanDerWaalsContact C-N 3.26Å; F35-D37 PolarHBondContact O-N 3.34Å; F35-W38 HydrophobicContact CB-CB 4.25Å; F35-W38 HydrophobicContact CB-CE3 4.36Å; F35-W38 HydrophobicContact CD1-CD2 4.39Å; F35-W38 AromaticContact CD1-CE3 3.65Å; F35-W38 HydrophobicContact CD1-CE3 3.65Å; F35-W38 AromaticContact CD1-CZ3 3.74Å; F35-W38 HydrophobicContact CD1-CZ3 3.74Å; F35-W38 HydrophobicContact CE1-CE3 4.49Å; F35-W38 HydrophobicContact CE1-CZ3 4.16Å; F35-W38 HydrophobicContact CG-CE3 4.46Å; F35-W38 WeakPolarHBondContact O-CB 3.49Å; F35-W38 PolarHBondContact O-N 3.32Å; F35-W38 VanDerWaalsContact O-N 3.13Å; F35-L42 HydrophobicContact CB-CD1 3.77Å; F35-L48 HydrophobicContact CD2-CD1 4.04Å; F35-L48 HydrophobicContact CD2-CD2 4.33Å; F35-L48 HydrophobicContact CE2-CD1 3.55Å; F35-L48 HydrophobicContact CE2-CG 4.43Å; F35-L48 HydrophobicContact CZ-CD1 4.03Å; F35-L51 HydrophobicContact CZ-CD1 4.34Å; F35-M89 HydrophobicContact CB-CE 4.4Å; F35-M89 HydrophobicContact CD1-CE 3.89Å; F35-M89 HydrophobicContact CD2-CE 4.46Å; F35-M89 HydrophobicContact CE1-CE 4.24Å; F35-M89 HydrophobicContact CG-CE 4Å; F35-L92 HydrophobicContact CD1-CD1 4.48Å; F35-L92 HydrophobicContact CE1-CD1 3.52Å; F35-L92 HydrophobicContact CZ-CD1 3.75Å
36	A	92.9	Very high	92.1	Very high	50 Å²	50	65.8 Å²	65.8	41%	0.413	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-45	-179.7	0	0	0	0	0	112.2	R31	R31-A36 PolarHBondContact NH1-O 3.07Å
37	D	92.8	Very high	92.4	Very high	165 Å²	165	62 Å²	62	88%	0.882	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	18.7	-177.6	-58.3	-42.4	0	0	0	114	F35	F35-D37 VanDerWaalsContact C-N 3.26Å; F35-D37 PolarHBondContact O-N 3.34Å
38	W	95.2	Very high	92.8	Very high	64 Å²	64	59.9 Å²	59.9	24%	0.242	33%	0.328	C	S	.	.			trans	-62.8	138.8	-179.3	-151.5	-99.5	0	0	0	111.9	R31 F35 C40 L42 Y87 Q88 M89 L92	R31-W38 PolarHBondContact NH1-O 2.87Å; F35-W38 HydrophobicContact CB-CB 4.25Å; F35-W38 HydrophobicContact CB-CE3 4.36Å; F35-W38 HydrophobicContact CD1-CD2 4.39Å; F35-W38 AromaticContact CD1-CE3 3.65Å; F35-W38 HydrophobicContact CD1-CE3 3.65Å; F35-W38 AromaticContact CD1-CZ3 3.74Å; F35-W38 HydrophobicContact CD1-CZ3 3.74Å; F35-W38 HydrophobicContact CE1-CE3 4.49Å; F35-W38 HydrophobicContact CE1-CZ3 4.16Å; F35-W38 HydrophobicContact CG-CE3 4.46Å; F35-W38 WeakPolarHBondContact O-CB 3.49Å; F35-W38 PolarHBondContact O-N 3.32Å; F35-W38 VanDerWaalsContact O-N 3.13Å; W38-C40 VanDerWaalsContact C-N 3.32Å; W38-C40 PolarHBondContact O-N 3.49Å; W38-L42 HydrophobicContact CB-CD1 3.89Å; W38-L42 HydrophobicContact CB-CG 4.43Å; W38-L42 HydrophobicContact CG-CD1 4.13Å; W38-L42 HydrophobicContact CG-CD2 4.23Å; W38-Y87 PolarHBondContact NE1-O 3.45Å; W38-Q88 VanDerWaalsContact CZ2-O 3.32Å; W38-Q88 WeakPolarHBondContact CZ2-O 3.45Å; W38-M89 HydrophobicContact CD2-CE 3.77Å; W38-M89 HydrophobicContact CE3-CE 4.31Å; W38-M89 HydrophobicContact CG-CE 4.05Å; W38-M89 HydrophobicContact CH2-CE 4.49Å; W38-M89 HydrophobicContact CH2-CG 4.39Å; W38-M89 HydrophobicContact CZ2-CB 4.49Å; W38-M89 HydrophobicContact CZ2-CE 3.97Å; W38-M89 HydrophobicContact CZ2-CG 3.48Å; W38-M89 VanDerWaalsContact CZ2-CG 3.48Å; W38-L92 HydrophobicContact CH2-CD1 4.28Å
39	P	90.2	Very high	93.1	Very high	97 Å²	97	56.7 Å²	56.7	63%	0.63	30%	0.302	S	S	*	.	S	Bend	trans	-70.6	-15.5	-165.9	26	-37.6	0	0	0	116.5	Q88	P39-Q88 VanDerWaalsContact CG-OE1 3.25Å
40	C	87.6	Confident	93.3	Very high	32 Å²	32	55.5 Å²	55.5	22%	0.216	30%	0.296	C	S	.	.	S	Bend	trans	-130.2	167.3	178.8	65.5	0	0	0	0	111	R31 W38 Y87	R31-C40 PolarHBondContact NH2-O 3.49Å; W38-C40 VanDerWaalsContact C-N 3.32Å; W38-C40 PolarHBondContact O-N 3.49Å; C40-Y87 PolarHBondContact SG-O 2.9Å
41	D	89.3	Confident	93.5	Very high	122 Å²	122	57.2 Å²	57.2	65%	0.652	31%	0.305	S	S	*	.			trans	-64.5	140.8	175.3	-70.2	-18.9	0	0	0	111.1	E27 Y87	E27-D41 WeakPolarHBondContact OE1-CA 3.32Å; D41-Y87 WeakPolarHBondContact O-CD1 3.39Å
42	L	89.8	Confident	93.6	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.306	C	S	.	.			trans	-112.4	-14.2	-177	-63.2	179.7	0	0	0	113.3	E27 F30 R31 F35 W38 G44 N45 L48 Y87 M89	E27-L42 PolarHBondContact OE1-N 2.96Å; E27-L42 PolarHBondContact OE2-N 3.14Å; F30-L42 HydrophobicContact CB-CB 4.03Å; F30-L42 WeakPolarHBondContact CD1-O 3.46Å; R31-L42 HydrophobicContact CG-CD1 3.8Å; R31-L42 HydrophobicContact CG-CG 4.47Å; F35-L42 HydrophobicContact CB-CD1 3.77Å; W38-L42 HydrophobicContact CB-CD1 3.89Å; W38-L42 HydrophobicContact CB-CG 4.43Å; W38-L42 HydrophobicContact CG-CD1 4.13Å; W38-L42 HydrophobicContact CG-CD2 4.23Å; L42-G44 PolarHBondContact O-N 2.91Å; L42-N45 WeakPolarHBondContact O-CB 3.36Å; L42-N45 PolarHBondContact O-N 3.05Å; L42-L48 HydrophobicContact CB-CD2 4.29Å; L42-L48 HydrophobicContact CD1-CD2 3.95Å; L42-Y87 HydrophobicContact CD2-CD1 4.29Å; L42-M89 HydrophobicContact CD1-CE 3.71Å; L42-M89 HydrophobicContact CD2-CE 3.56Å; L42-M89 HydrophobicContact CD2-SD 3.98Å; L42-M89 HydrophobicContact CG-CE 4.29Å
43	K	88	Confident	93.8	Very high	133 Å²	133	57.3 Å²	57.3	58%	0.578	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	120.3	174.9	-177.8	-177.7	-177.9	-171.5	0	110.1	E27 F30	E27-K43 WeakPolarHBondContact OE2-CA 2.97Å; E27-K43 WeakPolarHBondContact OE2-CB 3.25Å; E27-K43 PolarHBondContact OE2-N 3.16Å; F30-K43 HydrophobicContact CD2-CB 4.19Å; F30-K43 HydrophobicContact CD2-CG 4.27Å; F30-K43 HydrophobicContact CE2-CB 4.4Å; F30-K43 HydrophobicContact CE2-CG 4.03Å
44	G	85.9	Confident	94.1	Very high	36 Å²	36	50.4 Å²	50.4	37%	0.371	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	112.8	-21.8	-174	0	0	0	0	0	113	L42 N46 Y87	L42-G44 PolarHBondContact O-N 2.91Å; G44-N46 PolarHBondContact O-N 3.29Å; G44-Y87 VanDerWaalsContact C-OH 3.29Å
45	N	93.3	Very high	94.2	Very high	4 Å²	4	49.1 Å²	49.1	2%	0.021	27%	0.273	C	S	.	.			trans	-77.1	71.7	171.8	-168.3	-6.7	0	0	0	110.5	F30 L42 D47 L48 Y87	F30-N45 WeakPolarHBondContact CD1-O 3.31Å; L42-N45 WeakPolarHBondContact O-CB 3.36Å; L42-N45 PolarHBondContact O-N 3.05Å; N45-D47 PolarHBondContact O-N 3.17Å; N45-L48 HydrophobicContact CB-CB 4.26Å; N45-L48 VanDerWaalsContact O-CB 3.26Å; N45-L48 WeakPolarHBondContact O-CB 3.4Å; N45-L48 PolarHBondContact O-N 2.97Å; N45-L48 VanDerWaalsContact O-N 3.14Å; N45-Y87 HydrophobicContact CB-CD1 3.93Å; N45-Y87 HydrophobicContact CB-CD2 3.91Å; N45-Y87 HydrophobicContact CB-CE1 3.79Å; N45-Y87 HydrophobicContact CB-CE2 3.78Å; N45-Y87 HydrophobicContact CB-CG 3.99Å; N45-Y87 PolarHBondContact N-OH 3.45Å
46	N	96.1	Very high	94.3	Very high	39 Å²	39	49.5 Å²	49.5	21%	0.209	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-59.4	-33.8	-175.3	-71.5	-27.8	0	0	0	112.9	I20 G44 L48 L49 N75	I20-N46 HydrophobicContact CD1-CB 3.85Å; G44-N46 PolarHBondContact O-N 3.29Å; N46-L48 VanDerWaalsContact C-N 3.27Å; N46-L48 PolarHBondContact O-N 3.16Å; N46-L49 VanDerWaalsContact O-CB 3.3Å; N46-L49 WeakPolarHBondContact O-CB 3.17Å; N46-L49 WeakPolarHBondContact O-CG 3.37Å; N46-L49 PolarHBondContact O-N 2.78Å; N46-N75 PolarHBondContact O-ND2 2.99Å
47	D	97.6	Very high	94.5	Very high	3 Å²	3	47.1 Å²	47.1	2%	0.016	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-57.9	-38.3	177	-62.1	-121.4	0	0	0	112	N45 L49 V50 T76 F77 N78 S79 M84 I96	N45-D47 PolarHBondContact O-N 3.17Å; D47-L49 PolarHBondContact O-N 2.99Å; D47-L49 VanDerWaalsContact O-N 3.12Å; D47-V50 VanDerWaalsContact O-CG2 3.29Å; D47-V50 WeakPolarHBondContact O-CG2 3.38Å; D47-V50 PolarHBondContact O-N 3.02Å; D47-T76 VanDerWaalsContact OD1-CA 3.28Å; D47-T76 WeakPolarHBondContact OD1-CA 3.4Å; D47-F77 PolarHBondContact OD1-N 3.15Å; D47-N78 WeakPolarHBondContact OD1-CA 3.45Å; D47-N78 PolarHBondContact OD1-N 3.29Å; D47-N78 PolarHBondContact OD2-ND2 3.06Å; D47-S79 WeakPolarHBondContact CB-OG 3.32Å; D47-S79 PolarHBondContact OD1-N 3.02Å; D47-S79 VanDerWaalsContact OD1-N 3.08Å; D47-S79 PolarHBondContact OD1-OG 3.39Å; D47-M84 HydrophobicContact CB-CE 3.6Å; D47-I96 HydrophobicContact CB-CG2 4.13Å
48	L	97.9	Very high	94.8	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-57.9	-26.9	178	-177.7	63	0	0	0	113.6	F30 F35 L42 N45 N46 V50 L51 S52 M89 I96	F30-L48 WeakPolarHBondContact O-CD2 3.44Å; F35-L48 HydrophobicContact CD2-CD1 4.04Å; F35-L48 HydrophobicContact CD2-CD2 4.33Å; F35-L48 HydrophobicContact CE2-CD1 3.55Å; F35-L48 HydrophobicContact CE2-CG 4.43Å; F35-L48 HydrophobicContact CZ-CD1 4.03Å; L42-L48 HydrophobicContact CB-CD2 4.29Å; L42-L48 HydrophobicContact CD1-CD2 3.95Å; N45-L48 HydrophobicContact CB-CB 4.26Å; N45-L48 VanDerWaalsContact O-CB 3.26Å; N45-L48 WeakPolarHBondContact O-CB 3.4Å; N45-L48 PolarHBondContact O-N 2.97Å; N45-L48 VanDerWaalsContact O-N 3.14Å; N46-L48 VanDerWaalsContact C-N 3.27Å; N46-L48 PolarHBondContact O-N 3.16Å; L48-V50 PolarHBondContact O-N 3Å; L48-L51 HydrophobicContact CD1-CD1 4.37Å; L48-L51 WeakPolarHBondContact O-CB 3.43Å; L48-L51 PolarHBondContact O-N 3.39Å; L48-S52 PolarHBondContact O-N 3.46Å; L48-M89 HydrophobicContact CD1-CE 4.16Å; L48-M89 HydrophobicContact CD1-SD 4.01Å; L48-M89 HydrophobicContact CD2-CE 3.92Å; L48-M89 HydrophobicContact CD2-SD 4.08Å; L48-I96 HydrophobicContact CD1-CD1 4.3Å
49	L	98.1	Very high	95	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-62.7	-17.3	-175.3	-64.4	173.7	0	0	0	113.1	I20 L25 F30 N46 D47 L51 K53 I57	I20-L49 HydrophobicContact CD1-CD1 4.15Å; I20-L49 HydrophobicContact CG1-CD1 4.35Å; I20-L49 HydrophobicContact CG2-CD1 3.56Å; L25-L49 HydrophobicContact CD1-CD1 3.62Å; L25-L49 HydrophobicContact CD1-CD2 3.84Å; L25-L49 HydrophobicContact CD1-CG 4.41Å; F30-L49 HydrophobicContact CD1-CD2 3.8Å; F30-L49 HydrophobicContact CD1-CG 4.08Å; F30-L49 HydrophobicContact CE1-CD1 3.93Å; F30-L49 HydrophobicContact CE1-CD2 3.97Å; F30-L49 HydrophobicContact CE1-CG 3.91Å; F30-L49 HydrophobicContact CG-CD2 4.1Å; F30-L49 HydrophobicContact CZ-CD1 4.15Å; F30-L49 HydrophobicContact CZ-CD2 4.4Å; N46-L49 VanDerWaalsContact O-CB 3.3Å; N46-L49 WeakPolarHBondContact O-CB 3.17Å; N46-L49 WeakPolarHBondContact O-CG 3.37Å; N46-L49 PolarHBondContact O-N 2.78Å; D47-L49 PolarHBondContact O-N 2.99Å; D47-L49 VanDerWaalsContact O-N 3.12Å; L49-L51 PolarHBondContact O-N 2.94Å; L49-K53 HydrophobicContact CB-CB 4.46Å; L49-K53 HydrophobicContact CD2-CB 4.17Å; L49-K53 HydrophobicContact CD2-CG 4.03Å; L49-K53 CarbonylContact O-C 3.53Å; L49-K53 VanDerWaalsContact O-CA 3.27Å; L49-K53 WeakPolarHBondContact O-CA 3.48Å; L49-K53 PolarHBondContact O-N 2.74Å; L49-I57 HydrophobicContact CB-CD1 3.98Å; L49-I57 HydrophobicContact CB-CG1 4.07Å
50	V	98.3	Very high	95.4	Very high	8 Å²	8	34.3 Å²	34.3	5%	0.048	20%	0.195	C	C	.	.	H	α-helix	trans	-65.3	-21.3	171.4	-58	0	0	0	0	112.4	D47 L48 I57 N75 I96 A99 A100	D47-V50 VanDerWaalsContact O-CG2 3.29Å; D47-V50 WeakPolarHBondContact O-CG2 3.38Å; D47-V50 PolarHBondContact O-N 3.02Å; L48-V50 PolarHBondContact O-N 3Å; V50-I57 HydrophobicContact CG1-CG1 4.26Å; V50-I57 HydrophobicContact CG1-CG2 4.23Å; V50-N75 HydrophobicContact CG1-CB 3.96Å; V50-I96 HydrophobicContact CG2-CB 4.46Å; V50-I96 HydrophobicContact CG2-CG2 3.86Å; V50-A99 HydrophobicContact CG2-CB 4.24Å; V50-A100 HydrophobicContact CB-CB 4.35Å; V50-A100 HydrophobicContact CG1-CB 3.8Å; V50-A100 HydrophobicContact CG2-CB 4.34Å
51	L	98.1	Very high	95.9	Very high	44 Å²	44	32.8 Å²	32.8	23%	0.23	19%	0.185	C	C	.	.	H	α-helix	trans	-98.3	-43.2	175.6	-57.5	-176.5	0	0	0	112	F35 L48 L49 E95 I96 A99	F35-L51 HydrophobicContact CZ-CD1 4.34Å; L48-L51 HydrophobicContact CD1-CD1 4.37Å; L48-L51 WeakPolarHBondContact O-CB 3.43Å; L48-L51 PolarHBondContact O-N 3.39Å; L49-L51 PolarHBondContact O-N 2.94Å; L51-E95 HydrophobicContact CD1-CG 4.5Å; L51-E95 HydrophobicContact CD2-CG 4.42Å; L51-I96 HydrophobicContact CD1-CG1 3.72Å; L51-I96 HydrophobicContact CG-CG1 4.21Å; L51-A99 HydrophobicContact CD2-CB 3.68Å
52	S	97.4	Very high	96.3	Very high	23 Å²	23	28.9 Å²	28.9	16%	0.161	16%	0.164	C	C	.	.	H	α-helix	trans	-88.9	-28.6	-174.3	55.1	0	0	0	0	114.6	D29 F30 L48	D29-S52 PolarHBondContact O-OG 2.97Å; F30-S52 VanDerWaalsContact O-CB 3.25Å; F30-S52 WeakPolarHBondContact O-CB 3.36Å; F30-S52 PolarHBondContact O-OG 3.36Å; L48-S52 PolarHBondContact O-N 3.46Å
53	K	97.5	Very high	96.8	Very high	46 Å²	46	30.2 Å²	30.2	20%	0.2	18%	0.175	C	C	.	.			trans	-140.3	52.6	-179.6	-61.6	-66.4	-177.8	164.4	0	112.6	D29 L49 E55 V56 I57	D29-K53 WeakPolarHBondContact O-CE 3.44Å; D29-K53 WeakPolarHBondContact OD1-CE 3.47Å; D29-K53 IonicContact OD1-NZ 3.29Å; D29-K53 PolarHBondContact OD1-NZ 3.03Å; L49-K53 HydrophobicContact CB-CB 4.46Å; L49-K53 HydrophobicContact CD2-CB 4.17Å; L49-K53 HydrophobicContact CD2-CG 4.03Å; L49-K53 CarbonylContact O-C 3.53Å; L49-K53 VanDerWaalsContact O-CA 3.27Å; L49-K53 WeakPolarHBondContact O-CA 3.48Å; L49-K53 PolarHBondContact O-N 2.74Å; K53-E55 WeakPolarHBondContact CD-OE1 3.15Å; K53-E55 PolarHBondContact O-N 3.3Å; K53-E55 VanDerWaalsContact O-N 3.12Å; K53-V56 HydrophobicContact CB-CB 4.22Å; K53-V56 HydrophobicContact CB-CG2 4.09Å; K53-V56 PolarHBondContact O-N 3.46Å; K53-I57 PolarHBondContact O-N 3.14Å
54	P	97.9	Very high	97.3	Very high	47 Å²	47	23.9 Å²	23.9	31%	0.305	15%	0.147	S	C	.	.	H	α-helix	trans	-56.9	-30.3	-176.9	22.9	-33.8	0	0	0	113.3	V56 I57 A58 L103	P54-V56 VanDerWaalsContact C-N 3.32Å; P54-V56 PolarHBondContact O-N 3.04Å; P54-I57 PolarHBondContact O-N 2.74Å; P54-A58 WeakPolarHBondContact O-CB 3.42Å; P54-A58 PolarHBondContact O-N 3.03Å; P54-L103 HydrophobicContact CB-CD2 4.27Å
55	E	98	Very high	97.8	Very high	111 Å²	111	22.3 Å²	22.3	52%	0.519	13%	0.13	S	C	.	.	H	α-helix	trans	-63.7	-34.4	176.9	71.4	-71.3	171.4	0	0	113.2	K53 A59	K53-E55 WeakPolarHBondContact CD-OE1 3.15Å; K53-E55 PolarHBondContact O-N 3.3Å; K53-E55 VanDerWaalsContact O-N 3.12Å; E55-A59 WeakPolarHBondContact O-CB 3.08Å; E55-A59 PolarHBondContact O-N 2.81Å
56	V	98.1	Very high	98	Very high	15 Å²	15	29.2 Å²	29.2	9%	0.091	16%	0.162	C	C	.	.	H	α-helix	trans	-70.4	-46.4	177.2	174.1	0	0	0	0	109.9	Y23 K53 P54 A59 I60	Y23-V56 HydrophobicContact CD1-CG1 4Å; Y23-V56 HydrophobicContact CD1-CG2 4.47Å; Y23-V56 HydrophobicContact CD2-CG1 3.76Å; Y23-V56 HydrophobicContact CE1-CG1 4.05Å; Y23-V56 HydrophobicContact CE2-CG1 3.82Å; Y23-V56 HydrophobicContact CG-CG1 3.86Å; K53-V56 HydrophobicContact CB-CB 4.22Å; K53-V56 HydrophobicContact CB-CG2 4.09Å; K53-V56 PolarHBondContact O-N 3.46Å; P54-V56 VanDerWaalsContact C-N 3.32Å; P54-V56 PolarHBondContact O-N 3.04Å; V56-A59 WeakPolarHBondContact O-CB 3.49Å; V56-A59 PolarHBondContact O-N 3.39Å; V56-I60 HydrophobicContact CG1-CD1 4.25Å; V56-I60 WeakPolarHBondContact O-CG1 3.49Å; V56-I60 PolarHBondContact O-N 3.45Å
57	I	98.5	Very high	98.1	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-64.2	-43.2	179	-56.9	-55.8	0	0	0	111	M16 I20 L49 V50 K53 P54 A59 I60 H61 N75 L103	M16-I57 HydrophobicContact SD-CD1 4.34Å; I20-I57 HydrophobicContact CD1-CD1 3.87Å; I20-I57 HydrophobicContact CG1-CD1 4.07Å; L49-I57 HydrophobicContact CB-CD1 3.98Å; L49-I57 HydrophobicContact CB-CG1 4.07Å; V50-I57 HydrophobicContact CG1-CG1 4.26Å; V50-I57 HydrophobicContact CG1-CG2 4.23Å; K53-I57 PolarHBondContact O-N 3.14Å; P54-I57 PolarHBondContact O-N 2.74Å; I57-A59 VanDerWaalsContact C-N 3.31Å; I57-A59 PolarHBondContact O-N 2.9Å; I57-I60 PolarHBondContact O-N 2.77Å; I57-I60 VanDerWaalsContact O-N 3.16Å; I57-H61 PolarHBondContact O-CD2 3.49Å; I57-H61 PolarHBondContact O-N 3.44Å; I57-N75 HydrophobicContact CG2-CB 4.17Å; I57-L103 HydrophobicContact CB-CD2 3.91Å; I57-L103 HydrophobicContact CG2-CD2 3.89Å
58	A	98.6	Very high	98.1	Very high	17 Å²	17	28.4 Å²	28.4	14%	0.14	16%	0.163	C	C	.	.	H	α-helix	trans	-60.7	-39	174.1	0	0	0	0	0	112.4	P54 I60 H61 N62 L103	P54-A58 WeakPolarHBondContact O-CB 3.42Å; P54-A58 PolarHBondContact O-N 3.03Å; A58-I60 VanDerWaalsContact C-N 3.33Å; A58-I60 PolarHBondContact O-N 3.44Å; A58-H61 PolarHBondContact O-N 3.22Å; A58-N62 WeakPolarHBondContact O-CB 3.33Å; A58-N62 PolarHBondContact O-N 3.24Å; A58-N62 PolarHBondContact O-ND2 3.2Å; A58-L103 HydrophobicContact CB-CD1 4.1Å; A58-L103 HydrophobicContact CB-CD2 4.46Å; A58-L103 HydrophobicContact CB-CG 4.41Å
59	A	98.4	Very high	98.1	Very high	40 Å²	40	28.4 Å²	28.4	33%	0.331	16%	0.163	S	C	.	.	H	α-helix	trans	-63.3	-39	175.8	0	0	0	0	0	111.9	E55 V56 I57 A63	E55-A59 WeakPolarHBondContact O-CB 3.08Å; E55-A59 PolarHBondContact O-N 2.81Å; V56-A59 WeakPolarHBondContact O-CB 3.49Å; V56-A59 PolarHBondContact O-N 3.39Å; I57-A59 VanDerWaalsContact C-N 3.31Å; I57-A59 PolarHBondContact O-N 2.9Å; A59-A63 WeakPolarHBondContact O-CB 3.24Å; A59-A63 PolarHBondContact O-N 2.94Å
60	I	98.5	Very high	98.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-64.9	-48.9	176.4	-64.7	168.8	0	0	0	111	M16 M19 I20 Y23 V56 I57 A58 N62 A63 Y64	M16-I60 HydrophobicContact CE-CG2 3.96Å; M16-I60 HydrophobicContact SD-CB 4.36Å; M16-I60 HydrophobicContact SD-CD1 4.03Å; M16-I60 HydrophobicContact SD-CG2 3.81Å; M19-I60 HydrophobicContact CB-CB 4.47Å; M19-I60 HydrophobicContact CB-CD1 3.77Å; M19-I60 HydrophobicContact CB-CG1 3.9Å; M19-I60 HydrophobicContact CB-CG2 3.71Å; M19-I60 HydrophobicContact CG-CG2 4.02Å; I20-I60 HydrophobicContact CG1-CD1 3.74Å; Y23-I60 HydrophobicContact CD2-CD1 4.41Å; Y23-I60 HydrophobicContact CE2-CD1 3.92Å; Y23-I60 HydrophobicContact CE2-CG1 3.8Å; V56-I60 HydrophobicContact CG1-CD1 4.25Å; V56-I60 WeakPolarHBondContact O-CG1 3.49Å; V56-I60 PolarHBondContact O-N 3.45Å; I57-I60 PolarHBondContact O-N 2.77Å; I57-I60 VanDerWaalsContact O-N 3.16Å; A58-I60 VanDerWaalsContact C-N 3.33Å; A58-I60 PolarHBondContact O-N 3.44Å; I60-N62 VanDerWaalsContact C-N 3.32Å; I60-N62 PolarHBondContact O-N 2.94Å; I60-A63 WeakPolarHBondContact O-CB 3.13Å; I60-A63 PolarHBondContact O-N 3.15Å; I60-A63 VanDerWaalsContact O-N 3.16Å; I60-Y64 HydrophobicContact CG2-CD2 3.88Å; I60-Y64 HydrophobicContact CG2-CE2 3.61Å; I60-Y64 WeakPolarHBondContact O-CD2 3.37Å; I60-Y64 PolarHBondContact O-N 3.25Å; I60-Y64 VanDerWaalsContact O-N 3.13Å
61	H	98.7	Very high	98.1	Very high	1 Å²	1	28 Å²	28	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-57.9	-45.3	176.7	-67.1	-40.1	0	0	0	112	M16 I57 A58 A63 Y64 F65 I72 E73 C107	M16-H61 WeakPolarHBondContact CE-CE1 3.32Å; I57-H61 PolarHBondContact O-CD2 3.49Å; I57-H61 PolarHBondContact O-N 3.44Å; A58-H61 PolarHBondContact O-N 3.22Å; H61-A63 VanDerWaalsContact C-N 3.31Å; H61-A63 PolarHBondContact O-N 3.36Å; H61-Y64 PolarHBondContact O-N 3.47Å; H61-F65 WeakPolarHBondContact O-CD2 3.21Å; H61-F65 PolarHBondContact O-N 3.32Å; H61-I72 HydrophobicContact CB-CD1 4.25Å; H61-I72 HydrophobicContact CB-CG1 4.22Å; H61-I72 WeakPolarHBondContact ND1-CG1 3.22Å; H61-E73 PolarHBondContact CE1-O 2.9Å; H61-C107 HydrophobicContact CB-CB 4.18Å
62	N	98.5	Very high	98.1	Very high	40 Å²	40	26 Å²	26	21%	0.214	15%	0.149	C	C	.	.	H	α-helix	trans	-61.2	-38.9	177.3	-78.8	-48.6	0	0	0	112.6	A58 I60 Y64 F65 E66 W111	A58-N62 WeakPolarHBondContact O-CB 3.33Å; A58-N62 PolarHBondContact O-N 3.24Å; A58-N62 PolarHBondContact O-ND2 3.2Å; I60-N62 VanDerWaalsContact C-N 3.32Å; I60-N62 PolarHBondContact O-N 2.94Å; N62-Y64 VanDerWaalsContact C-N 3.35Å; N62-Y64 PolarHBondContact O-N 2.67Å; N62-F65 PolarHBondContact O-N 3.06Å; N62-E66 WeakPolarHBondContact O-CB 3.33Å; N62-E66 PolarHBondContact O-N 3.47Å; N62-W111 PolarHBondContact OD1-NE1 3.24Å
63	A	98.4	Very high	98.1	Very high	28 Å²	28	25.8 Å²	25.8	23%	0.231	15%	0.146	C	C	.	.	H	α-helix	trans	-64.8	-37.3	177.3	0	0	0	0	0	112.4	A59 I60 H61 A67 P308	A59-A63 WeakPolarHBondContact O-CB 3.24Å; A59-A63 PolarHBondContact O-N 2.94Å; I60-A63 WeakPolarHBondContact O-CB 3.13Å; I60-A63 PolarHBondContact O-N 3.15Å; I60-A63 VanDerWaalsContact O-N 3.16Å; H61-A63 VanDerWaalsContact C-N 3.31Å; H61-A63 PolarHBondContact O-N 3.36Å; A63-A67 WeakPolarHBondContact O-CB 3.31Å; A63-A67 PolarHBondContact O-N 3.27Å; A63-P308 HydrophobicContact CB-CG 3.89Å
64	Y	98.6	Very high	98.2	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-72.5	-38.3	175.7	-75.2	-55.8	0	0	0	113.1	D13 G15 M19 I60 H61 N62 E66 A67 G68 A69 I72 T306 P308 I311	D13-Y64 HydrophobicContact CB-CD1 4.29Å; D13-Y64 HydrophobicContact CB-CD2 4.04Å; D13-Y64 HydrophobicContact CB-CG 3.85Å; G15-Y64 PolarHBondContact N-OH 3.27Å; G15-Y64 PolarHBondContact O-OH 3.48Å; M19-Y64 HydrophobicContact CG-CE2 3.94Å; M19-Y64 WeakPolarHBondContact CG-OH 3.43Å; I60-Y64 HydrophobicContact CG2-CD2 3.88Å; I60-Y64 HydrophobicContact CG2-CE2 3.61Å; I60-Y64 WeakPolarHBondContact O-CD2 3.37Å; I60-Y64 PolarHBondContact O-N 3.25Å; I60-Y64 VanDerWaalsContact O-N 3.13Å; H61-Y64 PolarHBondContact O-N 3.47Å; N62-Y64 VanDerWaalsContact C-N 3.35Å; N62-Y64 PolarHBondContact O-N 2.67Å; Y64-E66 VanDerWaalsContact C-N 3.35Å; Y64-A67 WeakPolarHBondContact O-CB 3.44Å; Y64-A67 PolarHBondContact O-N 2.94Å; Y64-G68 PolarHBondContact O-N 3.24Å; Y64-A69 VanDerWaalsContact O-CB 3.3Å; Y64-A69 WeakPolarHBondContact O-CB 3.33Å; Y64-A69 PolarHBondContact O-N 3.46Å; Y64-I72 HydrophobicContact CD2-CD1 4.23Å; Y64-I72 HydrophobicContact CG-CD1 4.37Å; Y64-T306 PolarHBondContact OH-O 2.81Å; Y64-P308 HydrophobicContact CD1-CG 4.03Å; Y64-P308 HydrophobicContact CE1-CG 3.98Å; Y64-I311 HydrophobicContact CD1-CB 4.34Å; Y64-I311 HydrophobicContact CD1-CG1 3.69Å; Y64-I311 HydrophobicContact CE1-CG1 3.73Å
65	F	98.3	Very high	98.2	Very high	3 Å²	3	22.1 Å²	22.1	1%	0.013	13%	0.126	C	C	.	.	H	α-helix	trans	-63.6	-40.7	172.3	-73.1	-47.1	0	0	0	112.4	H61 N62 A67 G68 A69 I72 C107 A108 W111 R120	H61-F65 WeakPolarHBondContact O-CD2 3.21Å; H61-F65 PolarHBondContact O-N 3.32Å; N62-F65 PolarHBondContact O-N 3.06Å; F65-A67 VanDerWaalsContact C-N 3.29Å; F65-A67 PolarHBondContact O-N 3.3Å; F65-G68 PolarHBondContact O-N 3.43Å; F65-A69 HydrophobicContact CD1-CB 4.41Å; F65-I72 HydrophobicContact CE1-CB 3.95Å; F65-I72 HydrophobicContact CE1-CG2 4.35Å; F65-I72 HydrophobicContact CE2-CB 4.33Å; F65-I72 HydrophobicContact CE2-CG2 4.26Å; F65-I72 HydrophobicContact CZ-CB 3.62Å; F65-I72 HydrophobicContact CZ-CD1 4.49Å; F65-I72 HydrophobicContact CZ-CG1 4.31Å; F65-I72 HydrophobicContact CZ-CG2 3.59Å; F65-C107 HydrophobicContact CD2-CB 4.39Å; F65-C107 HydrophobicContact CE2-CB 3.94Å; F65-A108 HydrophobicContact CE2-CB 4.18Å; F65-A108 HydrophobicContact CZ-CB 3.8Å; F65-W111 HydrophobicContact CB-CB 4.33Å; F65-W111 HydrophobicContact CB-CD2 3.54Å; F65-W111 HydrophobicContact CB-CE3 4.18Å; F65-W111 HydrophobicContact CB-CG 3.59Å; F65-W111 HydrophobicContact CB-CZ2 4.26Å; F65-W111 HydrophobicContact CD2-CB 4.36Å; F65-W111 AromaticContact CD2-CD1 3.46Å; F65-W111 VanDerWaalsContact CD2-CD1 3.46Å; F65-W111 AromaticContact CD2-CG 3.93Å; F65-W111 HydrophobicContact CD2-CG 3.93Å; F65-W111 AromaticContact CD2-NE1 3.98Å; F65-W111 HydrophobicContact CG-CB 4.3Å; F65-W111 AromaticContact CG-CD1 3.85Å; F65-W111 HydrophobicContact CG-CD2 4.39Å; F65-W111 AromaticContact CG-CG 3.91Å; F65-W111 HydrophobicContact CG-CG 3.91Å; F65-R120 HydrophobicContact CD1-CB 4.42Å; F65-R120 HydrophobicContact CD1-CG 3.67Å; F65-R120 HydrophobicContact CE1-CB 3.78Å; F65-R120 HydrophobicContact CE1-CG 3.53Å; F65-R120 HydrophobicContact CG-CG 4.45Å; F65-R120 HydrophobicContact CZ-CB 4.11Å; F65-R120 HydrophobicContact CZ-CG 4.2Å
66	E	97.5	Very high	98.2	Very high	148 Å²	148	16.9 Å²	16.9	69%	0.692	10%	0.102	S	C	*	.	H	α-helix	trans	-61.5	-38.8	173.4	-172.3	168.1	-153.3	0	0	112	N62 Y64 G68 W111	N62-E66 WeakPolarHBondContact O-CB 3.33Å; N62-E66 PolarHBondContact O-N 3.47Å; Y64-E66 VanDerWaalsContact C-N 3.35Å; E66-G68 PolarHBondContact O-N 2.59Å; E66-W111 HydrophobicContact CB-CH2 3.48Å; E66-W111 VanDerWaalsContact CB-CH2 3.48Å; E66-W111 HydrophobicContact CB-CZ2 3.7Å; E66-W111 HydrophobicContact CB-CZ3 4.49Å; E66-W111 HydrophobicContact CG-CH2 3.92Å; E66-W111 HydrophobicContact CG-CZ2 4.48Å
67	A	97.7	Very high	98.2	Very high	16 Å²	16	19.2 Å²	19.2	13%	0.132	11%	0.111	C	C	.	.	H	α-helix	trans	-68.3	-12.4	174.5	0	0	0	0	0	114.2	A63 Y64 F65 P308 I311 A312	A63-A67 WeakPolarHBondContact O-CB 3.31Å; A63-A67 PolarHBondContact O-N 3.27Å; Y64-A67 WeakPolarHBondContact O-CB 3.44Å; Y64-A67 PolarHBondContact O-N 2.94Å; F65-A67 VanDerWaalsContact C-N 3.29Å; F65-A67 PolarHBondContact O-N 3.3Å; A67-P308 HydrophobicContact CB-CB 3.93Å; A67-P308 WeakPolarHBondContact CB-O 3.3Å; A67-I311 HydrophobicContact CB-CB 4.1Å; A67-I311 HydrophobicContact CB-CG2 4.11Å; A67-A312 HydrophobicContact CB-CB 4.16Å; A67-A312 WeakPolarHBondContact O-CA 3.38Å
68	G	96.2	Very high	98	Very high	10 Å²	10	22 Å²	22	10%	0.103	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	113.5	7.3	172.9	0	0	0	0	0	115.7	Y64 F65 E66 K118	Y64-G68 PolarHBondContact O-N 3.24Å; F65-G68 PolarHBondContact O-N 3.43Å; E66-G68 PolarHBondContact O-N 2.59Å; G68-K118 PolarHBondContact O-NZ 3.31Å
69	A	98.1	Very high	98	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.12	C	C	.	.			trans	-56.3	139.6	174	0	0	0	0	0	112	D13 Y64 F65 I311	D13-A69 HydrophobicContact CB-CB 4.29Å; Y64-A69 VanDerWaalsContact O-CB 3.3Å; Y64-A69 WeakPolarHBondContact O-CB 3.33Å; Y64-A69 PolarHBondContact O-N 3.46Å; F65-A69 HydrophobicContact CD1-CB 4.41Å; A69-I311 HydrophobicContact CB-CG2 4.35Å
70	D	98.1	Very high	97.9	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.105	C	C	.	.	S	Bend	trans	-96.5	-32.5	171.7	-67.2	-65.1	0	0	0	111.6	R8 L10 V11 K118 R120 Y121	R8-D70 IonicContact CZ-OD1 3.44Å; R8-D70 IonicContact CZ-OD2 3.62Å; R8-D70 IonicContact NH1-OD1 3.27Å; R8-D70 PolarHBondContact NH1-OD1 3.11Å; R8-D70 IonicContact NH1-OD2 2.79Å; R8-D70 PolarHBondContact NH1-OD2 2.87Å; R8-D70 IonicContact NH2-OD1 2.72Å; R8-D70 PolarHBondContact NH2-OD1 2.78Å; R8-D70 IonicContact NH2-OD2 3.61Å; L10-D70 WeakPolarHBondContact CA-OD2 3.45Å; L10-D70 HydrophobicContact CB-CB 4.33Å; L10-D70 HydrophobicContact CD2-CB 4.31Å; V11-D70 PolarHBondContact N-OD2 3.16Å; V11-D70 WeakPolarHBondContact O-CA 3.35Å; V11-D70 WeakPolarHBondContact O-CB 3.47Å; V11-D70 PolarHBondContact O-N 2.92Å; D70-K118 WeakPolarHBondContact OD1-CE 3.46Å; D70-K118 IonicContact OD1-NZ 3.76Å; D70-R120 WeakPolarHBondContact O-CA 3.4Å; D70-Y121 PolarHBondContact O-N 2.99Å
71	I	98.4	Very high	97.9	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	135.2	-177.9	-50.5	163.2	0	0	0	107.3	M1 L10 V11 L12 D13 Y121 A123 I299	M1-I71 HydrophobicContact CE-CD1 3.53Å; M1-I71 HydrophobicContact CE-CG1 4.32Å; L10-I71 HydrophobicContact CB-CD1 4.47Å; L10-I71 HydrophobicContact CD1-CD1 4.4Å; V11-I71 PolarHBondContact O-N 3.47Å; V11-I71 VanDerWaalsContact O-N 3.12Å; L12-I71 HydrophobicContact CD1-CB 3.78Å; L12-I71 HydrophobicContact CD1-CG2 3.62Å; D13-I71 PolarHBondContact N-O 3.07Å; D13-I71 VanDerWaalsContact N-O 3.17Å; I71-Y121 WeakPolarHBondContact CA-O 3.4Å; I71-Y121 HydrophobicContact CG1-CD2 4.45Å; I71-A123 HydrophobicContact CG2-CB 4.04Å; I71-I299 HydrophobicContact CD1-CD1 4.14Å; I71-I299 HydrophobicContact CD1-CG2 4.02Å
72	I	98.4	Very high	97.8	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	140.9	173.9	-158.4	84.9	0	0	0	109.8	D13 H61 Y64 F65 A104 Y121 V122 A123	D13-I72 HydrophobicContact CB-CD1 3.58Å; D13-I72 HydrophobicContact CB-CG1 4.43Å; D13-I72 WeakPolarHBondContact OD2-CD1 3.44Å; D13-I72 VanDerWaalsContact OD2-CG1 3.26Å; D13-I72 WeakPolarHBondContact OD2-CG1 3.46Å; H61-I72 HydrophobicContact CB-CD1 4.25Å; H61-I72 HydrophobicContact CB-CG1 4.22Å; H61-I72 WeakPolarHBondContact ND1-CG1 3.22Å; Y64-I72 HydrophobicContact CD2-CD1 4.23Å; Y64-I72 HydrophobicContact CG-CD1 4.37Å; F65-I72 HydrophobicContact CE1-CB 3.95Å; F65-I72 HydrophobicContact CE1-CG2 4.35Å; F65-I72 HydrophobicContact CE2-CB 4.33Å; F65-I72 HydrophobicContact CE2-CG2 4.26Å; F65-I72 HydrophobicContact CZ-CB 3.62Å; F65-I72 HydrophobicContact CZ-CD1 4.49Å; F65-I72 HydrophobicContact CZ-CG1 4.31Å; F65-I72 HydrophobicContact CZ-CG2 3.59Å; I72-A104 HydrophobicContact CG2-CB 4.16Å; I72-Y121 PolarHBondContact N-O 3.13Å; I72-V122 HydrophobicContact CG2-CG2 4.21Å; I72-A123 PolarHBondContact O-N 3.48Å
73	E	98.5	Very high	97.6	Very high	20 Å²	20	20.4 Å²	20.4	9%	0.093	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	137.3	172.1	-74.4	170.5	-161.4	0	0	111	L12 D13 H61 A123 V125 L172	L12-E73 HydrophobicContact CD1-CG 4.06Å; L12-E73 VanDerWaalsContact CD2-OE1 3.31Å; L12-E73 WeakPolarHBondContact CD2-OE1 3.45Å; D13-E73 WeakPolarHBondContact OD1-CG 3.35Å; D13-E73 PolarHBondContact OD1-N 2.86Å; D13-E73 VanDerWaalsContact OD1-N 3.16Å; D13-E73 PolarHBondContact OD2-N 3.09Å; D13-E73 VanDerWaalsContact OD2-N 3.07Å; H61-E73 PolarHBondContact CE1-O 2.9Å; E73-A123 HydrophobicContact CG-CB 4.43Å; E73-V125 HydrophobicContact CB-CG2 3.72Å; E73-V125 HydrophobicContact CG-CG2 3.8Å; E73-L172 HydrophobicContact CG-CD2 4.05Å
74	T	98.7	Very high	97.5	Very high	6 Å²	6	19.1 Å²	19.1	4%	0.037	10%	0.101	C	C	.	.			trans	-69.6	145.9	169.6	51.6	0	0	0	0	110.6	T76 A101 A104 V122 A123 V125	T74-T76 PolarHBondContact O-N 2.87Å; T74-T76 PolarHBondContact OG1-OG1 3.08Å; T74-A101 HydrophobicContact CG2-CB 4.16Å; T74-A104 HydrophobicContact CG2-CB 3.97Å; T74-V122 HydrophobicContact CG2-CG1 3.64Å; T74-A123 WeakPolarHBondContact CG2-O 3.45Å; T74-A123 PolarHBondContact N-O 3.47Å; T74-A123 PolarHBondContact OG1-O 3.25Å; T74-A123 VanDerWaalsContact OG1-O 3.07Å; T74-V125 PolarHBondContact OG1-N 3.36Å; T74-V125 VanDerWaalsContact OG1-N 3.1Å
75	N	98.3	Very high	97.3	Very high	9 Å²	9	20.4 Å²	20.4	5%	0.048	11%	0.112	C	C	.	.	S	Bend	trans	-76.5	63.8	174.9	-174.7	47	0	0	0	111.2	M16 N46 V50 I57	M16-N75 HydrophobicContact CE-CB 4.33Å; M16-N75 HydrophobicContact CG-CB 4.27Å; M16-N75 WeakPolarHBondContact CG-OD1 3.43Å; M16-N75 HydrophobicContact SD-CB 4.45Å; N46-N75 PolarHBondContact O-ND2 2.99Å; V50-N75 HydrophobicContact CG1-CB 3.96Å; I57-N75 HydrophobicContact CG2-CB 4.17Å
76	T	98.4	Very high	96.9	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.012	14%	0.137	C	C	.	.			trans	-132.1	12.2	-171.2	56	0	0	0	0	113.7	D47 T74 N78 S79 N97 A100 V125 L163	D47-T76 VanDerWaalsContact OD1-CA 3.28Å; D47-T76 WeakPolarHBondContact OD1-CA 3.4Å; T74-T76 PolarHBondContact O-N 2.87Å; T74-T76 PolarHBondContact OG1-OG1 3.08Å; T76-N78 PolarHBondContact O-N 3.38Å; T76-N78 VanDerWaalsContact O-N 3.09Å; T76-S79 WeakPolarHBondContact CA-OG 3.43Å; T76-S79 WeakPolarHBondContact O-CB 3.47Å; T76-S79 PolarHBondContact O-N 3.4Å; T76-N97 WeakPolarHBondContact CB-OD1 3.02Å; T76-A100 HydrophobicContact CG2-CB 3.28Å; T76-V125 PolarHBondContact OG1-O 3.08Å; T76-V125 VanDerWaalsContact OG1-O 3.1Å; T76-L163 HydrophobicContact CG2-CD2 3.94Å
77	F	96.4	Very high	96.7	Very high	63 Å²	63	20.9 Å²	20.9	28%	0.276	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.6	-39.9	-175.3	-174	-95.8	0	0	0	113.9	D47 V125 G127 P128 E174 T175	D47-F77 PolarHBondContact OD1-N 3.15Å; F77-V125 HydrophobicContact CB-CG1 4.37Å; F77-V125 HydrophobicContact CD2-CG1 4.1Å; F77-G127 VanDerWaalsContact O-CA 3.31Å; F77-G127 WeakPolarHBondContact O-CA 3.31Å; F77-G127 PolarHBondContact O-N 3.31Å; F77-P128 HydrophobicContact CZ-CG 4.28Å; F77-E174 HydrophobicContact CD2-CG 4.39Å; F77-E174 HydrophobicContact CE2-CG 4.25Å; F77-T175 HydrophobicContact CE2-CG2 4.45Å; F77-T175 WeakPolarHBondContact CE2-OG1 3.48Å; F77-T175 HydrophobicContact CZ-CG2 4.02Å
78	N	95.4	Very high	96.7	Very high	60 Å²	60	25.4 Å²	25.4	32%	0.321	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	11.2	177	-58.9	-62	0	0	0	113.2	D47 T76 T80 A83	D47-N78 WeakPolarHBondContact OD1-CA 3.45Å; D47-N78 PolarHBondContact OD1-N 3.29Å; D47-N78 PolarHBondContact OD2-ND2 3.06Å; T76-N78 PolarHBondContact O-N 3.38Å; T76-N78 VanDerWaalsContact O-N 3.09Å; N78-T80 PolarHBondContact O-N 2.85Å; N78-A83 HydrophobicContact CB-CB 4.07Å; N78-A83 WeakPolarHBondContact O-CB 3.45Å
79	S	97.5	Very high	96.7	Very high	1 Å²	1	25 Å²	25	1%	0.007	13%	0.129	C	C	.	.			trans	-79.9	63.6	-176.1	-62.4	0	0	0	0	111.6	D47 T76 I96 N97 S159	D47-S79 WeakPolarHBondContact CB-OG 3.32Å; D47-S79 PolarHBondContact OD1-N 3.02Å; D47-S79 VanDerWaalsContact OD1-N 3.08Å; D47-S79 PolarHBondContact OD1-OG 3.39Å; T76-S79 WeakPolarHBondContact CA-OG 3.43Å; T76-S79 WeakPolarHBondContact O-CB 3.47Å; T76-S79 PolarHBondContact O-N 3.4Å; S79-I96 WeakPolarHBondContact OG-CG2 3.4Å; S79-N97 WeakPolarHBondContact CB-ND2 3.4Å; S79-N97 PolarHBondContact O-ND2 3.45Å; S79-S159 PolarHBondContact O-OG 2.9Å
80	T	97.9	Very high	96.7	Very high	4 Å²	4	28.8 Å²	28.8	3%	0.025	15%	0.147	C	C	.	.	S	Bend	trans	-125.3	153.4	170.7	61.8	0	0	0	0	108.6	N78 I82 A83 M84 T129 Y156	N78-T80 PolarHBondContact O-N 2.85Å; T80-I82 PolarHBondContact O-N 3.37Å; T80-I82 VanDerWaalsContact O-N 3.09Å; T80-A83 PolarHBondContact O-N 2.96Å; T80-A83 PolarHBondContact OG1-N 3.23Å; T80-M84 VanDerWaalsContact O-CB 3.25Å; T80-M84 WeakPolarHBondContact O-CB 3.41Å; T80-M84 VanDerWaalsContact O-CG 3.31Å; T80-M84 WeakPolarHBondContact O-CG 3.42Å; T80-M84 PolarHBondContact O-N 3.13Å; T80-T129 HydrophobicContact CG2-CG2 4.29Å; T80-Y156 HydrophobicContact CG2-CD1 4.37Å; T80-Y156 HydrophobicContact CG2-CE1 4.28Å
81	T	97.8	Very high	96.6	Very high	39 Å²	39	33.8 Å²	33.8	24%	0.239	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-25.9	173.9	53.1	0	0	0	0	112.6	E90 S93 A155 E158	T81-E90 WeakPolarHBondContact O-CG 3.27Å; T81-S93 PolarHBondContact N-OG 3.23Å; T81-A155 WeakPolarHBondContact OG1-CB 3.27Å; T81-E158 WeakPolarHBondContact CG2-OE1 3.34Å
82	I	96.8	Very high	96.6	Very high	14 Å²	14	34.4 Å²	34.4	7%	0.072	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-51.7	179.5	-61.8	166.5	0	0	0	111.3	T80 A85 T129 N130 R131 I147 L152 A155	T80-I82 PolarHBondContact O-N 3.37Å; T80-I82 VanDerWaalsContact O-N 3.09Å; I82-A85 WeakPolarHBondContact O-CB 3.28Å; I82-A85 PolarHBondContact O-N 3.11Å; I82-T129 HydrophobicContact CB-CG2 4.5Å; I82-T129 HydrophobicContact CD1-CG2 4.37Å; I82-N130 WeakPolarHBondContact CG2-OD1 3.37Å; I82-R131 HydrophobicContact CG2-CB 4.4Å; I82-R131 HydrophobicContact CG2-CG 4.05Å; I82-I147 HydrophobicContact CD1-CD1 3.67Å; I82-I147 HydrophobicContact CD1-CG1 4.11Å; I82-I147 HydrophobicContact CG1-CD1 4.13Å; I82-L152 HydrophobicContact CD1-CD2 3.77Å; I82-L152 HydrophobicContact CD1-CG 4.35Å; I82-A155 HydrophobicContact CD1-CB 3.65Å; I82-A155 HydrophobicContact CG1-CB 3.89Å
83	A	93.9	Very high	96.6	Very high	6 Å²	6	34.4 Å²	34.4	5%	0.05	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-32	-178.2	0	0	0	0	0	112.6	N78 T80 A85 D86	N78-A83 HydrophobicContact CB-CB 4.07Å; N78-A83 WeakPolarHBondContact O-CB 3.45Å; T80-A83 PolarHBondContact O-N 2.96Å; T80-A83 PolarHBondContact OG1-N 3.23Å; A83-A85 PolarHBondContact O-N 3.32Å; A83-D86 PolarHBondContact O-N 2.91Å
84	M	96.4	Very high	96.6	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-66.9	-16.5	174.8	-73.1	-70	-178.8	0	0	113.4	D47 T80 D86 Y87 Q88 M89 I96	D47-M84 HydrophobicContact CB-CE 3.6Å; T80-M84 VanDerWaalsContact O-CB 3.25Å; T80-M84 WeakPolarHBondContact O-CB 3.41Å; T80-M84 VanDerWaalsContact O-CG 3.31Å; T80-M84 WeakPolarHBondContact O-CG 3.42Å; T80-M84 PolarHBondContact O-N 3.13Å; M84-D86 PolarHBondContact O-N 2.92Å; M84-Y87 PolarHBondContact O-N 3.39Å; M84-Y87 VanDerWaalsContact O-N 3.14Å; M84-Q88 PolarHBondContact O-N 3.49Å; M84-M89 HydrophobicContact CB-CB 4.34Å; M84-M89 PolarHBondContact O-N 3.29Å; M84-M89 HydrophobicContact SD-CB 4.26Å; M84-I96 HydrophobicContact CE-CB 4.46Å; M84-I96 HydrophobicContact CE-CD1 3.37Å; M84-I96 HydrophobicContact CE-CG1 4.48Å; M84-I96 HydrophobicContact CE-CG2 4.12Å; M84-I96 HydrophobicContact SD-CD1 4.06Å
85	A	94.5	Very high	96.6	Very high	27 Å²	27	38.5 Å²	38.5	22%	0.223	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-63.5	-27.7	175.3	0	0	0	0	0	112.9	I82 A83 Y87 Q88 E90	I82-A85 WeakPolarHBondContact O-CB 3.28Å; I82-A85 PolarHBondContact O-N 3.11Å; A83-A85 PolarHBondContact O-N 3.32Å; A85-Y87 PolarHBondContact O-N 3.45Å; A85-Y87 VanDerWaalsContact O-N 3.12Å; A85-Q88 PolarHBondContact O-N 2.75Å; A85-E90 VanDerWaalsContact CA-CD 3.47Å; A85-E90 HydrophobicContact CB-CG 3.66Å; A85-E90 WeakPolarHBondContact CB-OE1 3.38Å
86	D	90.4	Very high	96.6	Very high	103 Å²	103	38.1 Å²	38.1	55%	0.551	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	-60.9	-22.5	175.9	-69.5	-3.4	0	0	0	112.2	A83 M84 N130	A83-D86 PolarHBondContact O-N 2.91Å; M84-D86 PolarHBondContact O-N 2.92Å; D86-N130 PolarHBondContact OD1-ND2 3.2Å; D86-N130 PolarHBondContact OD2-ND2 2.9Å
87	Y	93.8	Very high	96.6	Very high	58 Å²	58	38 Å²	38	23%	0.227	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-112.8	9.3	177.7	-57.4	-82.8	0	0	0	113	W38 C40 D41 L42 G44 N45 M84 A85 M89	W38-Y87 PolarHBondContact NE1-O 3.45Å; C40-Y87 PolarHBondContact SG-O 2.9Å; D41-Y87 WeakPolarHBondContact O-CD1 3.39Å; L42-Y87 HydrophobicContact CD2-CD1 4.29Å; G44-Y87 VanDerWaalsContact C-OH 3.29Å; N45-Y87 HydrophobicContact CB-CD1 3.93Å; N45-Y87 HydrophobicContact CB-CD2 3.91Å; N45-Y87 HydrophobicContact CB-CE1 3.79Å; N45-Y87 HydrophobicContact CB-CE2 3.78Å; N45-Y87 HydrophobicContact CB-CG 3.99Å; N45-Y87 PolarHBondContact N-OH 3.45Å; M84-Y87 PolarHBondContact O-N 3.39Å; M84-Y87 VanDerWaalsContact O-N 3.14Å; A85-Y87 PolarHBondContact O-N 3.45Å; A85-Y87 VanDerWaalsContact O-N 3.12Å; Y87-M89 WeakPolarHBondContact O-CG 3.35Å; Y87-M89 PolarHBondContact O-N 2.97Å
88	Q	96.2	Very high	96.8	Very high	111 Å²	111	38.7 Å²	38.7	52%	0.519	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	30.4	-174.2	-52.5	177.8	7	0	0	113.4	W38 P39 M84 A85 E90	W38-Q88 VanDerWaalsContact CZ2-O 3.32Å; W38-Q88 WeakPolarHBondContact CZ2-O 3.45Å; P39-Q88 VanDerWaalsContact CG-OE1 3.25Å; M84-Q88 PolarHBondContact O-N 3.49Å; A85-Q88 PolarHBondContact O-N 2.75Å; Q88-E90 WeakPolarHBondContact CA-OE2 3.47Å
89	M	96.5	Very high	96.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.204	C	C	.	.			trans	-112.3	21.1	-172.3	-78	-172.6	162.4	0	0	113.5	F35 W38 L42 L48 M84 Y87 S91 L92	F35-M89 HydrophobicContact CB-CE 4.4Å; F35-M89 HydrophobicContact CD1-CE 3.89Å; F35-M89 HydrophobicContact CD2-CE 4.46Å; F35-M89 HydrophobicContact CE1-CE 4.24Å; F35-M89 HydrophobicContact CG-CE 4Å; W38-M89 HydrophobicContact CD2-CE 3.77Å; W38-M89 HydrophobicContact CE3-CE 4.31Å; W38-M89 HydrophobicContact CG-CE 4.05Å; W38-M89 HydrophobicContact CH2-CE 4.49Å; W38-M89 HydrophobicContact CH2-CG 4.39Å; W38-M89 HydrophobicContact CZ2-CB 4.49Å; W38-M89 HydrophobicContact CZ2-CE 3.97Å; W38-M89 HydrophobicContact CZ2-CG 3.48Å; W38-M89 VanDerWaalsContact CZ2-CG 3.48Å; L42-M89 HydrophobicContact CD1-CE 3.71Å; L42-M89 HydrophobicContact CD2-CE 3.56Å; L42-M89 HydrophobicContact CD2-SD 3.98Å; L42-M89 HydrophobicContact CG-CE 4.29Å; L48-M89 HydrophobicContact CD1-CE 4.16Å; L48-M89 HydrophobicContact CD1-SD 4.01Å; L48-M89 HydrophobicContact CD2-CE 3.92Å; L48-M89 HydrophobicContact CD2-SD 4.08Å; M84-M89 HydrophobicContact CB-CB 4.34Å; M84-M89 PolarHBondContact O-N 3.29Å; M84-M89 HydrophobicContact SD-CB 4.26Å; Y87-M89 WeakPolarHBondContact O-CG 3.35Å; Y87-M89 PolarHBondContact O-N 2.97Å; M89-S91 PolarHBondContact O-N 2.66Å; M89-S91 VanDerWaalsContact O-N 3.12Å; M89-L92 HydrophobicContact CB-CD1 4.24Å; M89-L92 HydrophobicContact CE-CD1 4.13Å; M89-L92 HydrophobicContact CG-CD1 3.94Å; M89-L92 WeakPolarHBondContact O-CB 3.48Å; M89-L92 PolarHBondContact O-N 3.46Å; M89-L92 HydrophobicContact SD-CD1 4.09Å
90	E	97.4	Very high	97	Very high	81 Å²	81	36.9 Å²	36.9	38%	0.379	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-52.6	-40.9	-177.5	-56.4	96	130.7	0	0	111.7	T81 A85 Q88 L92 S93	T81-E90 WeakPolarHBondContact O-CG 3.27Å; A85-E90 VanDerWaalsContact CA-CD 3.47Å; A85-E90 HydrophobicContact CB-CG 3.66Å; A85-E90 WeakPolarHBondContact CB-OE1 3.38Å; Q88-E90 WeakPolarHBondContact CA-OE2 3.47Å; E90-L92 PolarHBondContact O-N 3.35Å; E90-L92 VanDerWaalsContact O-N 3.12Å; E90-S93 VanDerWaalsContact O-CB 3.28Å; E90-S93 WeakPolarHBondContact O-CB 3.49Å; E90-S93 PolarHBondContact O-N 2.94Å; E90-S93 VanDerWaalsContact O-N 3.16Å
91	S	97.4	Very high	97	Very high	105 Å²	105	36.7 Å²	36.7	73%	0.734	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	-64.1	-14	178.7	64.8	0	0	0	0	115.1	M89	M89-S91 PolarHBondContact O-N 2.66Å; M89-S91 VanDerWaalsContact O-N 3.12Å
92	L	98.1	Very high	97.1	Very high	12 Å²	12	40.7 Å²	40.7	6%	0.063	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-99.8	-7.3	179.4	-58.3	177.2	0	0	0	113.1	F35 W38 M89 E90 A94 E95 I96	F35-L92 HydrophobicContact CD1-CD1 4.48Å; F35-L92 HydrophobicContact CE1-CD1 3.52Å; F35-L92 HydrophobicContact CZ-CD1 3.75Å; W38-L92 HydrophobicContact CH2-CD1 4.28Å; M89-L92 HydrophobicContact CB-CD1 4.24Å; M89-L92 HydrophobicContact CE-CD1 4.13Å; M89-L92 HydrophobicContact CG-CD1 3.94Å; M89-L92 WeakPolarHBondContact O-CB 3.48Å; M89-L92 PolarHBondContact O-N 3.46Å; M89-L92 HydrophobicContact SD-CD1 4.09Å; E90-L92 PolarHBondContact O-N 3.35Å; E90-L92 VanDerWaalsContact O-N 3.12Å; L92-A94 PolarHBondContact O-N 3.32Å; L92-E95 PolarHBondContact O-N 3.06Å; L92-E95 VanDerWaalsContact O-N 3.08Å; L92-I96 HydrophobicContact CB-CD1 4.03Å; L92-I96 HydrophobicContact CB-CG1 4.42Å; L92-I96 WeakPolarHBondContact O-CG1 3.08Å; L92-I96 PolarHBondContact O-N 3.03Å
93	S	98.2	Very high	97.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-49.4	-54.8	-178.7	161.2	0	0	0	0	112.3	T81 E90 E95 I96 N97 E158	T81-S93 PolarHBondContact N-OG 3.23Å; E90-S93 VanDerWaalsContact O-CB 3.28Å; E90-S93 WeakPolarHBondContact O-CB 3.49Å; E90-S93 PolarHBondContact O-N 2.94Å; E90-S93 VanDerWaalsContact O-N 3.16Å; S93-E95 PolarHBondContact O-N 2.96Å; S93-I96 PolarHBondContact O-N 2.86Å; S93-N97 PolarHBondContact O-N 2.93Å; S93-N97 PolarHBondContact O-ND2 3.28Å; S93-E158 WeakPolarHBondContact CB-OE1 3.34Å; S93-E158 PolarHBondContact OG-OE1 3.16Å
94	A	98.5	Very high	97.4	Very high	35 Å²	35	41.5 Å²	41.5	29%	0.289	22%	0.22	S	C	.	.	H	α-helix	trans	-61.1	-40.2	178.1	0	0	0	0	0	113.4	L92 F98 E158 A162	L92-A94 PolarHBondContact O-N 3.32Å; A94-F98 WeakPolarHBondContact O-CB 3.38Å; A94-F98 PolarHBondContact O-N 3.23Å; A94-E158 HydrophobicContact CB-CG 3.94Å; A94-E158 PolarHBondContact N-OE1 3.31Å; A94-A162 HydrophobicContact CB-CB 4.38Å; A94-A162 VanDerWaalsContact O-CB 3.29Å; A94-A162 WeakPolarHBondContact O-CB 3.26Å
95	E	98.6	Very high	97.5	Very high	78 Å²	78	43.4 Å²	43.4	36%	0.364	23%	0.227	S	C	.	.	H	α-helix	trans	-66	-43.5	-179.8	-172.4	-176.7	169.3	0	0	111.4	R34 L51 L92 S93 F98 A99	R34-E95 IonicContact CZ-OE1 3.84Å; R34-E95 IonicContact CZ-OE2 3.42Å; R34-E95 IonicContact NH1-OE1 2.67Å; R34-E95 PolarHBondContact NH1-OE1 2.64Å; R34-E95 IonicContact NH1-OE2 3.35Å; R34-E95 PolarHBondContact NH1-OE2 2.88Å; R34-E95 IonicContact NH2-OE1 2.75Å; R34-E95 IonicContact NH2-OE2 3Å; R34-E95 PolarHBondContact NH2-OE2 2.93Å; L51-E95 HydrophobicContact CD1-CG 4.5Å; L51-E95 HydrophobicContact CD2-CG 4.42Å; L92-E95 PolarHBondContact O-N 3.06Å; L92-E95 VanDerWaalsContact O-N 3.08Å; S93-E95 PolarHBondContact O-N 2.96Å; E95-F98 PolarHBondContact O-N 3.35Å; E95-A99 VanDerWaalsContact O-CB 3.28Å; E95-A99 WeakPolarHBondContact O-CB 3.49Å; E95-A99 PolarHBondContact O-N 3.47Å
96	I	98.7	Very high	97.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63.3	-47.4	178.7	-68.8	170.4	0	0	0	110.2	D47 L48 V50 L51 S79 M84 L92 S93 F98 A99 A100	D47-I96 HydrophobicContact CB-CG2 4.13Å; L48-I96 HydrophobicContact CD1-CD1 4.3Å; V50-I96 HydrophobicContact CG2-CB 4.46Å; V50-I96 HydrophobicContact CG2-CG2 3.86Å; L51-I96 HydrophobicContact CD1-CG1 3.72Å; L51-I96 HydrophobicContact CG-CG1 4.21Å; S79-I96 WeakPolarHBondContact OG-CG2 3.4Å; M84-I96 HydrophobicContact CE-CB 4.46Å; M84-I96 HydrophobicContact CE-CD1 3.37Å; M84-I96 HydrophobicContact CE-CG1 4.48Å; M84-I96 HydrophobicContact CE-CG2 4.12Å; M84-I96 HydrophobicContact SD-CD1 4.06Å; L92-I96 HydrophobicContact CB-CD1 4.03Å; L92-I96 HydrophobicContact CB-CG1 4.42Å; L92-I96 WeakPolarHBondContact O-CG1 3.08Å; L92-I96 PolarHBondContact O-N 3.03Å; S93-I96 PolarHBondContact O-N 2.86Å; I96-F98 PolarHBondContact O-N 3.01Å; I96-A99 PolarHBondContact O-N 3.25Å; I96-A100 WeakPolarHBondContact O-CB 3.35Å; I96-A100 PolarHBondContact O-N 3.36Å
97	N	98.9	Very high	98.1	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-57.1	-49	176	-81.3	-74.9	0	0	0	112.5	T76 S79 S93 A100 A101 S159 A162 L163	T76-N97 WeakPolarHBondContact CB-OD1 3.02Å; S79-N97 WeakPolarHBondContact CB-ND2 3.4Å; S79-N97 PolarHBondContact O-ND2 3.45Å; S93-N97 PolarHBondContact O-N 2.93Å; S93-N97 PolarHBondContact O-ND2 3.28Å; N97-A100 PolarHBondContact O-N 3.27Å; N97-A101 WeakPolarHBondContact O-CB 3.23Å; N97-A101 PolarHBondContact O-N 3.43Å; N97-S159 PolarHBondContact ND2-OG 3.28Å; N97-A162 HydrophobicContact CB-CB 3.55Å; N97-L163 HydrophobicContact CB-CD2 4.23Å; N97-L163 HydrophobicContact CB-CG 4.17Å
98	F	98.9	Very high	98.3	Very high	77 Å²	77	37.3 Å²	37.3	34%	0.338	20%	0.203	S	C	.	.	H	α-helix	trans	-62.3	-47.2	180	176.4	-93.8	0	0	0	111.7	A94 E95 I96 K102 A162 E165	A94-F98 WeakPolarHBondContact O-CB 3.38Å; A94-F98 PolarHBondContact O-N 3.23Å; E95-F98 PolarHBondContact O-N 3.35Å; I96-F98 PolarHBondContact O-N 3.01Å; F98-K102 HydrophobicContact CE1-CD 4Å; F98-K102 HydrophobicContact CZ-CD 4.26Å; F98-K102 VanDerWaalsContact O-CB 3.26Å; F98-K102 WeakPolarHBondContact O-CB 3.39Å; F98-K102 PolarHBondContact O-N 3.16Å; F98-A162 HydrophobicContact CB-CB 4.3Å; F98-E165 HydrophobicContact CD2-CB 4.06Å; F98-E165 HydrophobicContact CE2-CB 4.19Å; F98-E165 WeakPolarHBondContact CE2-O 3.3Å
99	A	98.8	Very high	98.4	Very high	23 Å²	23	36 Å²	36	19%	0.19	20%	0.199	C	C	.	.	H	α-helix	trans	-64.3	-42.1	-179.8	0	0	0	0	0	112	V50 L51 E95 I96 K102 L103	V50-A99 HydrophobicContact CG2-CB 4.24Å; L51-A99 HydrophobicContact CD2-CB 3.68Å; E95-A99 VanDerWaalsContact O-CB 3.28Å; E95-A99 WeakPolarHBondContact O-CB 3.49Å; E95-A99 PolarHBondContact O-N 3.47Å; I96-A99 PolarHBondContact O-N 3.25Å; A99-K102 PolarHBondContact O-N 2.88Å; A99-L103 WeakPolarHBondContact O-CB 3.49Å; A99-L103 PolarHBondContact O-N 3.12Å
100	A	98.8	Very high	98.4	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-63.4	-48.6	178	0	0	0	0	0	112.1	V50 T76 I96 N97 K102 L103 A104	V50-A100 HydrophobicContact CB-CB 4.35Å; V50-A100 HydrophobicContact CG1-CB 3.8Å; V50-A100 HydrophobicContact CG2-CB 4.34Å; T76-A100 HydrophobicContact CG2-CB 3.28Å; I96-A100 WeakPolarHBondContact O-CB 3.35Å; I96-A100 PolarHBondContact O-N 3.36Å; N97-A100 PolarHBondContact O-N 3.27Å; A100-K102 VanDerWaalsContact C-N 3.35Å; A100-K102 PolarHBondContact O-N 3.43Å; A100-L103 PolarHBondContact O-N 2.95Å; A100-A104 WeakPolarHBondContact O-CB 3.46Å; A100-A104 PolarHBondContact O-N 3.33Å
101	A	98.8	Very high	98.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-61.4	-43.3	177	0	0	0	0	0	111.8	T74 N97 L103 A104 R105 L163 G166	T74-A101 HydrophobicContact CG2-CB 4.16Å; N97-A101 WeakPolarHBondContact O-CB 3.23Å; N97-A101 PolarHBondContact O-N 3.43Å; A101-L103 PolarHBondContact O-N 3.27Å; A101-A104 PolarHBondContact O-N 2.99Å; A101-R105 VanDerWaalsContact O-CB 3.3Å; A101-R105 WeakPolarHBondContact O-CB 3.27Å; A101-R105 PolarHBondContact O-N 3.31Å; A101-L163 HydrophobicContact CB-CD2 4.18Å; A101-G166 CarbonylContact C-O 3.53Å
102	K	98.8	Very high	98.5	Very high	124 Å²	124	34.4 Å²	34.4	54%	0.539	18%	0.181	S	C	.	.	H	α-helix	trans	-63.3	-39.8	177.3	-173.2	177.3	-177.9	179.4	0	112.7	F98 A99 A100 A106 G166	F98-K102 HydrophobicContact CE1-CD 4Å; F98-K102 HydrophobicContact CZ-CD 4.26Å; F98-K102 VanDerWaalsContact O-CB 3.26Å; F98-K102 WeakPolarHBondContact O-CB 3.39Å; F98-K102 PolarHBondContact O-N 3.16Å; A99-K102 PolarHBondContact O-N 2.88Å; A100-K102 VanDerWaalsContact C-N 3.35Å; A100-K102 PolarHBondContact O-N 3.43Å; K102-A106 PolarHBondContact O-N 3.48Å; K102-A106 VanDerWaalsContact O-N 3.08Å; K102-G166 VanDerWaalsContact CA-O 3.29Å; K102-G166 WeakPolarHBondContact CA-O 3.2Å; K102-G166 PolarHBondContact N-O 2.98Å
103	L	98.7	Very high	98.4	Very high	37 Å²	37	37.5 Å²	37.5	19%	0.194	21%	0.208	C	C	.	.	H	α-helix	trans	-66.6	-48.2	177.3	-173.1	65.5	0	0	0	111.3	P54 I57 A58 A99 A100 A101 R105 A106 C107	P54-L103 HydrophobicContact CB-CD2 4.27Å; I57-L103 HydrophobicContact CB-CD2 3.91Å; I57-L103 HydrophobicContact CG2-CD2 3.89Å; A58-L103 HydrophobicContact CB-CD1 4.1Å; A58-L103 HydrophobicContact CB-CD2 4.46Å; A58-L103 HydrophobicContact CB-CG 4.41Å; A99-L103 WeakPolarHBondContact O-CB 3.49Å; A99-L103 PolarHBondContact O-N 3.12Å; A100-L103 PolarHBondContact O-N 2.95Å; A101-L103 PolarHBondContact O-N 3.27Å; L103-R105 VanDerWaalsContact C-N 3.33Å; L103-R105 PolarHBondContact O-N 2.92Å; L103-A106 PolarHBondContact O-N 3.49Å; L103-C107 PolarHBondContact O-N 3.47Å; L103-C107 VanDerWaalsContact O-N 3.14Å
104	A	98.6	Very high	98.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-60.6	-41.6	176.9	0	0	0	0	0	111.9	I72 T74 A100 A101 C107 A108 V122	I72-A104 HydrophobicContact CG2-CB 4.16Å; T74-A104 HydrophobicContact CG2-CB 3.97Å; A100-A104 WeakPolarHBondContact O-CB 3.46Å; A100-A104 PolarHBondContact O-N 3.33Å; A101-A104 PolarHBondContact O-N 2.99Å; A104-C107 PolarHBondContact O-N 3.45Å; A104-A108 WeakPolarHBondContact O-CB 3.37Å; A104-A108 PolarHBondContact O-N 2.92Å; A104-V122 HydrophobicContact CB-CG1 3.78Å; A104-V122 HydrophobicContact CB-CG2 4.23Å
105	R	98.6	Very high	98.1	Very high	40 Å²	40	44.3 Å²	44.3	15%	0.151	23%	0.231	C	C	.	.	H	α-helix	trans	-59.2	-45.8	174.5	-178.5	69	-91.3	158.3	-0.5	112.2	A101 L103 C107 A108 D109 R120 V122 G167 D169	A101-R105 VanDerWaalsContact O-CB 3.3Å; A101-R105 WeakPolarHBondContact O-CB 3.27Å; A101-R105 PolarHBondContact O-N 3.31Å; L103-R105 VanDerWaalsContact C-N 3.33Å; L103-R105 PolarHBondContact O-N 2.92Å; R105-C107 VanDerWaalsContact C-N 3.34Å; R105-C107 PolarHBondContact O-N 3.4Å; R105-A108 PolarHBondContact O-N 2.87Å; R105-D109 IonicContact CZ-OD1 3.1Å; R105-D109 VanDerWaalsContact NE-CG 3.31Å; R105-D109 IonicContact NE-OD1 2.85Å; R105-D109 PolarHBondContact NE-OD1 3.26Å; R105-D109 IonicContact NE-OD2 3.36Å; R105-D109 PolarHBondContact NE-OD2 3.34Å; R105-D109 IonicContact NH2-OD1 2.69Å; R105-D109 PolarHBondContact NH2-OD1 2.88Å; R105-D109 WeakPolarHBondContact O-CB 3.37Å; R105-D109 VanDerWaalsContact O-CG 3.28Å; R105-D109 PolarHBondContact O-N 3.36Å; R105-R120 PolarHBondContact NH2-O 3.49Å; R105-V122 HydrophobicContact CB-CG2 4.44Å; R105-G167 WeakPolarHBondContact CD-O 3.5Å; R105-D169 IonicContact CZ-OD2 3.9Å; R105-D169 VanDerWaalsContact NH1-CG 3.33Å; R105-D169 IonicContact NH1-OD1 3.19Å; R105-D169 PolarHBondContact NH1-OD1 3.07Å; R105-D169 IonicContact NH1-OD2 3.86Å; R105-D169 PolarHBondContact NH1-OD2 3.26Å
106	A	98.4	Very high	97.8	Very high	56 Å²	56	44.9 Å²	44.9	46%	0.463	24%	0.241	S	C	.	.	H	α-helix	trans	-60.1	-43.7	177.7	0	0	0	0	0	111.9	K102 L103 E110	K102-A106 PolarHBondContact O-N 3.48Å; K102-A106 VanDerWaalsContact O-N 3.08Å; L103-A106 PolarHBondContact O-N 3.49Å; A106-E110 PolarHBondContact O-N 3.48Å; A106-E110 VanDerWaalsContact O-N 3.13Å
107	C	98.5	Very high	97.4	Very high	5 Å²	5	51.9 Å²	51.9	3%	0.034	27%	0.274	C	S	.	.	H	α-helix	trans	-63.3	-45.1	174.2	-64.9	0	0	0	0	111.8	H61 F65 L103 A104 R105 D109 E110 W111	H61-C107 HydrophobicContact CB-CB 4.18Å; F65-C107 HydrophobicContact CD2-CB 4.39Å; F65-C107 HydrophobicContact CE2-CB 3.94Å; L103-C107 PolarHBondContact O-N 3.47Å; L103-C107 VanDerWaalsContact O-N 3.14Å; A104-C107 PolarHBondContact O-N 3.45Å; R105-C107 VanDerWaalsContact C-N 3.34Å; R105-C107 PolarHBondContact O-N 3.4Å; C107-D109 PolarHBondContact O-N 3.35Å; C107-E110 PolarHBondContact O-N 2.94Å; C107-W111 VanDerWaalsContact O-CD1 3.31Å; C107-W111 PolarHBondContact O-N 3.25Å; C107-W111 VanDerWaalsContact O-N 3.08Å
108	A	98.4	Very high	97	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-63.2	-38.8	180	0	0	0	0	0	112.7	F65 A104 R105 T112 R120 V122	F65-A108 HydrophobicContact CE2-CB 4.18Å; F65-A108 HydrophobicContact CZ-CB 3.8Å; A104-A108 WeakPolarHBondContact O-CB 3.37Å; A104-A108 PolarHBondContact O-N 2.92Å; R105-A108 PolarHBondContact O-N 2.87Å; A108-T112 VanDerWaalsContact O-CB 3.28Å; A108-T112 WeakPolarHBondContact O-CB 3.25Å; A108-T112 PolarHBondContact O-N 2.69Å; A108-T112 PolarHBondContact O-OG1 3.36Å; A108-R120 HydrophobicContact CB-CB 3.91Å; A108-V122 HydrophobicContact CB-CG2 3.8Å
109	D	98.3	Very high	96.7	Very high	82 Å²	82	52.3 Å²	52.3	44%	0.439	28%	0.28	S	S	.	.	H	α-helix	trans	-66.4	-43.1	176.2	-72.1	-19.6	0	0	0	111.9	R105 C107 W111 T112 A113	R105-D109 IonicContact CZ-OD1 3.1Å; R105-D109 VanDerWaalsContact NE-CG 3.31Å; R105-D109 IonicContact NE-OD1 2.85Å; R105-D109 PolarHBondContact NE-OD1 3.26Å; R105-D109 IonicContact NE-OD2 3.36Å; R105-D109 PolarHBondContact NE-OD2 3.34Å; R105-D109 IonicContact NH2-OD1 2.69Å; R105-D109 PolarHBondContact NH2-OD1 2.88Å; R105-D109 WeakPolarHBondContact O-CB 3.37Å; R105-D109 VanDerWaalsContact O-CG 3.28Å; R105-D109 PolarHBondContact O-N 3.36Å; C107-D109 PolarHBondContact O-N 3.35Å; D109-W111 PolarHBondContact O-N 2.89Å; D109-T112 PolarHBondContact O-N 2.87Å; D109-A113 WeakPolarHBondContact O-CB 3.5Å; D109-A113 PolarHBondContact O-N 2.92Å
110	E	97.8	Very high	96.7	Very high	89 Å²	89	51.8 Å²	51.8	42%	0.416	27%	0.273	S	S	.	.	H	α-helix	trans	-59.2	-46.9	175.9	-175.1	178.8	177.7	0	0	111.4	A106 C107 A113 R114	A106-E110 PolarHBondContact O-N 3.48Å; A106-E110 VanDerWaalsContact O-N 3.13Å; C107-E110 PolarHBondContact O-N 2.94Å; E110-A113 PolarHBondContact O-N 3.42Å; E110-R114 WeakPolarHBondContact O-CG 3.34Å; E110-R114 PolarHBondContact O-N 2.91Å; E110-R114 VanDerWaalsContact O-N 3.12Å; E110-R114 IonicContact OE1-CZ 3.45Å; E110-R114 IonicContact OE1-NE 3.65Å; E110-R114 IonicContact OE1-NH2 2.64Å; E110-R114 PolarHBondContact OE1-NH2 3.45Å
111	W	97.9	Very high	96.6	Very high	30 Å²	30	53.3 Å²	53.3	11%	0.114	28%	0.279	C	S	.	.	H	α-helix	trans	-70	-36.2	178.2	-83.1	92.2	0	0	0	113.5	N62 F65 E66 C107 D109 A113 R114 T115 R120	N62-W111 PolarHBondContact OD1-NE1 3.24Å; F65-W111 HydrophobicContact CB-CB 4.33Å; F65-W111 HydrophobicContact CB-CD2 3.54Å; F65-W111 HydrophobicContact CB-CE3 4.18Å; F65-W111 HydrophobicContact CB-CG 3.59Å; F65-W111 HydrophobicContact CB-CZ2 4.26Å; F65-W111 HydrophobicContact CD2-CB 4.36Å; F65-W111 AromaticContact CD2-CD1 3.46Å; F65-W111 VanDerWaalsContact CD2-CD1 3.46Å; F65-W111 AromaticContact CD2-CG 3.93Å; F65-W111 HydrophobicContact CD2-CG 3.93Å; F65-W111 AromaticContact CD2-NE1 3.98Å; F65-W111 HydrophobicContact CG-CB 4.3Å; F65-W111 AromaticContact CG-CD1 3.85Å; F65-W111 HydrophobicContact CG-CD2 4.39Å; F65-W111 AromaticContact CG-CG 3.91Å; F65-W111 HydrophobicContact CG-CG 3.91Å; E66-W111 HydrophobicContact CB-CH2 3.48Å; E66-W111 VanDerWaalsContact CB-CH2 3.48Å; E66-W111 HydrophobicContact CB-CZ2 3.7Å; E66-W111 HydrophobicContact CB-CZ3 4.49Å; E66-W111 HydrophobicContact CG-CH2 3.92Å; E66-W111 HydrophobicContact CG-CZ2 4.48Å; C107-W111 VanDerWaalsContact O-CD1 3.31Å; C107-W111 PolarHBondContact O-N 3.25Å; C107-W111 VanDerWaalsContact O-N 3.08Å; D109-W111 PolarHBondContact O-N 2.89Å; W111-A113 VanDerWaalsContact C-N 3.32Å; W111-R114 PolarHBondContact O-N 3.3Å; W111-T115 PolarHBondContact O-N 3.48Å; W111-T115 VanDerWaalsContact O-N 3.1Å; W111-R120 HydrophobicContact CB-CG 4.1Å; W111-R120 PolarHBondContact O-NH1 3.13Å
112	T	97.3	Very high	96.6	Very high	34 Å²	34	53.3 Å²	53.3	21%	0.209	28%	0.279	C	S	.	.	H	α-helix	trans	-63.4	-40.5	173.3	-61.6	0	0	0	0	110.9	A108 D109 R114 T115 P116 R120	A108-T112 VanDerWaalsContact O-CB 3.28Å; A108-T112 WeakPolarHBondContact O-CB 3.25Å; A108-T112 PolarHBondContact O-N 2.69Å; A108-T112 PolarHBondContact O-OG1 3.36Å; D109-T112 PolarHBondContact O-N 2.87Å; T112-R114 VanDerWaalsContact C-N 3.3Å; T112-R114 PolarHBondContact O-N 3.39Å; T112-T115 CarbonylContact O-C 3.45Å; T112-T115 PolarHBondContact O-N 3.42Å; T112-P116 WeakPolarHBondContact O-CA 3.33Å; T112-P116 VanDerWaalsContact O-N 3.09Å; T112-R120 WeakPolarHBondContact OG1-CB 3.17Å; T112-R120 PolarHBondContact OG1-N 3.26Å
113	A	97	Very high	96.6	Very high	77 Å²	77	47.4 Å²	47.4	64%	0.636	25%	0.254	S	S	*	.	H	α-helix	trans	-64.8	-32.7	175	0	0	0	0	0	112.9	D109 E110 W111	D109-A113 WeakPolarHBondContact O-CB 3.5Å; D109-A113 PolarHBondContact O-N 2.92Å; E110-A113 PolarHBondContact O-N 3.42Å; W111-A113 VanDerWaalsContact C-N 3.32Å
114	R	96.4	Very high	96.6	Very high	139 Å²	139	45.7 Å²	45.7	53%	0.525	24%	0.244	S	C	.	.	H	α-helix	trans	-70.4	-36.2	176.1	-70	170.5	-176.2	-163.6	0.5	113	E110 W111 T112	E110-R114 WeakPolarHBondContact O-CG 3.34Å; E110-R114 PolarHBondContact O-N 2.91Å; E110-R114 VanDerWaalsContact O-N 3.12Å; E110-R114 IonicContact OE1-CZ 3.45Å; E110-R114 IonicContact OE1-NE 3.65Å; E110-R114 IonicContact OE1-NH2 2.64Å; E110-R114 PolarHBondContact OE1-NH2 3.45Å; W111-R114 PolarHBondContact O-N 3.3Å; T112-R114 VanDerWaalsContact C-N 3.3Å; T112-R114 PolarHBondContact O-N 3.39Å
115	T	94.1	Very high	96.6	Very high	39 Å²	39	45.7 Å²	45.7	24%	0.239	25%	0.245	C	C	.	.			trans	-139.3	79.7	178.7	64.4	0	0	0	0	110.8	W111 T112 E117 K118 R120	W111-T115 PolarHBondContact O-N 3.48Å; W111-T115 VanDerWaalsContact O-N 3.1Å; T112-T115 CarbonylContact O-C 3.45Å; T112-T115 PolarHBondContact O-N 3.42Å; T115-E117 VanDerWaalsContact C-OE2 3.27Å; T115-E117 WeakPolarHBondContact CB-OE1 3.21Å; T115-E117 PolarHBondContact O-N 3.02Å; T115-E117 VanDerWaalsContact O-N 3.16Å; T115-K118 PolarHBondContact O-N 3.12Å; T115-K118 VanDerWaalsContact O-N 3.07Å; T115-R120 PolarHBondContact O-NH1 3.41Å; T115-R120 PolarHBondContact OG1-NH1 3.28Å; T115-R120 PolarHBondContact OG1-NH2 2.92Å
116	P	93	Very high	96.6	Very high	90 Å²	90	43.9 Å²	43.9	58%	0.584	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-24.2	-171.9	-26.3	36.3	0	0	0	115.4	T112 K118	T112-P116 WeakPolarHBondContact O-CA 3.33Å; T112-P116 VanDerWaalsContact O-N 3.09Å; P116-K118 PolarHBondContact O-N 3.43Å
117	E	90	Very high	96.4	Very high	147 Å²	147	41.3 Å²	41.3	69%	0.687	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69	-15.9	176.9	69.8	-75	176.6	0	0	113.7	T115	T115-E117 VanDerWaalsContact C-OE2 3.27Å; T115-E117 WeakPolarHBondContact CB-OE1 3.21Å; T115-E117 PolarHBondContact O-N 3.02Å; T115-E117 VanDerWaalsContact O-N 3.16Å
118	K	90.6	Very high	96	Very high	46 Å²	46	41.5 Å²	41.5	20%	0.2	22%	0.218	C	C	.	.	S	Bend	trans	-121.9	82.3	178.7	-172.3	177.8	-179.5	-177.3	0	108.6	G68 D70 T115 P116 R120	G68-K118 PolarHBondContact O-NZ 3.31Å; D70-K118 WeakPolarHBondContact OD1-CE 3.46Å; D70-K118 IonicContact OD1-NZ 3.76Å; T115-K118 PolarHBondContact O-N 3.12Å; T115-K118 VanDerWaalsContact O-N 3.07Å; P116-K118 PolarHBondContact O-N 3.43Å; K118-R120 WeakPolarHBondContact O-CD 3.22Å; K118-R120 PolarHBondContact O-NE 3.24Å; K118-R120 PolarHBondContact O-NH1 2.84Å
119	P	92.3	Very high	95.6	Very high	40 Å²	40	41.9 Å²	41.9	26%	0.26	22%	0.22	S	C	.	.			trans	-64.6	142.8	179.8	25.7	-34.7	0	0	0	112.4	Y121	P119-Y121 HydrophobicContact CG-CE2 4.29Å; P119-Y121 WeakPolarHBondContact CG-OH 3.44Å; P119-Y121 WeakPolarHBondContact O-CE2 3.27Å
120	R	97.4	Very high	95	Very high	12 Å²	12	41.2 Å²	41.2	5%	0.045	22%	0.216	C	C	.	.			trans	-105.2	137.3	-178.3	-74.7	19.2	174.4	-98.8	-2.6	110.2	F65 D70 R105 A108 W111 T112 T115 K118	F65-R120 HydrophobicContact CD1-CB 4.42Å; F65-R120 HydrophobicContact CD1-CG 3.67Å; F65-R120 HydrophobicContact CE1-CB 3.78Å; F65-R120 HydrophobicContact CE1-CG 3.53Å; F65-R120 HydrophobicContact CG-CG 4.45Å; F65-R120 HydrophobicContact CZ-CB 4.11Å; F65-R120 HydrophobicContact CZ-CG 4.2Å; D70-R120 WeakPolarHBondContact O-CA 3.4Å; R105-R120 PolarHBondContact NH2-O 3.49Å; A108-R120 HydrophobicContact CB-CB 3.91Å; W111-R120 HydrophobicContact CB-CG 4.1Å; W111-R120 PolarHBondContact O-NH1 3.13Å; T112-R120 WeakPolarHBondContact OG1-CB 3.17Å; T112-R120 PolarHBondContact OG1-N 3.26Å; T115-R120 PolarHBondContact O-NH1 3.41Å; T115-R120 PolarHBondContact OG1-NH1 3.28Å; T115-R120 PolarHBondContact OG1-NH2 2.92Å; K118-R120 WeakPolarHBondContact O-CD 3.22Å; K118-R120 PolarHBondContact O-NE 3.24Å; K118-R120 PolarHBondContact O-NH1 2.84Å
121	Y	98	Very high	94.7	Very high	33 Å²	33	41 Å²	41	13%	0.129	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	147.6	-175.1	-54.2	-84.2	0	0	0	111.4	M1 D70 I71 I72 P119 D169	M1-Y121 WeakPolarHBondContact CA-OH 3.47Å; M1-Y121 HydrophobicContact CB-CD1 4.43Å; M1-Y121 HydrophobicContact CB-CE1 3.92Å; M1-Y121 HydrophobicContact CB-CE2 4.44Å; M1-Y121 PolarHBondContact N-OH 3.15Å; D70-Y121 PolarHBondContact O-N 2.99Å; I71-Y121 WeakPolarHBondContact CA-O 3.4Å; I71-Y121 HydrophobicContact CG1-CD2 4.45Å; I72-Y121 PolarHBondContact N-O 3.13Å; P119-Y121 HydrophobicContact CG-CE2 4.29Å; P119-Y121 WeakPolarHBondContact CG-OH 3.44Å; P119-Y121 WeakPolarHBondContact O-CE2 3.27Å; Y121-D169 VanDerWaalsContact CA-OD2 3.25Å; Y121-D169 WeakPolarHBondContact CA-OD2 3.45Å; Y121-D169 HydrophobicContact CD1-CB 4.4Å
122	V	98.7	Very high	94.4	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	122.9	177.3	179	0	0	0	0	110.1	I72 T74 A104 R105 A108 D169 L170	I72-V122 HydrophobicContact CG2-CG2 4.21Å; T74-V122 HydrophobicContact CG2-CG1 3.64Å; A104-V122 HydrophobicContact CB-CG1 3.78Å; A104-V122 HydrophobicContact CB-CG2 4.23Å; R105-V122 HydrophobicContact CB-CG2 4.44Å; A108-V122 HydrophobicContact CB-CG2 3.8Å; V122-D169 PolarHBondContact N-OD2 3.2Å; V122-D169 PolarHBondContact O-N 2.89Å; V122-L170 PolarHBondContact O-N 3.34Å
123	A	98.7	Very high	94.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	113.7	171.9	0	0	0	0	0	110.5	I71 I72 E73 T74 V125 L170 L172	I71-A123 HydrophobicContact CG2-CB 4.04Å; I72-A123 PolarHBondContact O-N 3.48Å; E73-A123 HydrophobicContact CG-CB 4.43Å; T74-A123 WeakPolarHBondContact CG2-O 3.45Å; T74-A123 PolarHBondContact N-O 3.47Å; T74-A123 PolarHBondContact OG1-O 3.25Å; T74-A123 VanDerWaalsContact OG1-O 3.07Å; A123-V125 PolarHBondContact O-N 2.95Å; A123-L170 HydrophobicContact CB-CD1 3.49Å; A123-L170 VanDerWaalsContact CB-CD1 3.49Å; A123-L170 HydrophobicContact CB-CG 4.19Å; A123-L172 HydrophobicContact CB-CB 4.2Å
124	G	98.7	Very high	94	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	113.8	167.3	0	0	0	0	0	109.3	L170 I171 L172	G124-L170 PolarHBondContact N-O 3.45Å; G124-I171 CarbonylContact O-C 3.28Å; G124-I171 WeakPolarHBondContact O-CA 3.49Å; G124-L172 PolarHBondContact O-N 3.45Å
125	V	98.5	Very high	93.6	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.006	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	134.1	-171	170.3	0	0	0	0	110.5	E73 T74 T76 F77 A123 L172 E174	E73-V125 HydrophobicContact CB-CG2 3.72Å; E73-V125 HydrophobicContact CG-CG2 3.8Å; T74-V125 PolarHBondContact OG1-N 3.36Å; T74-V125 VanDerWaalsContact OG1-N 3.1Å; T76-V125 PolarHBondContact OG1-O 3.08Å; T76-V125 VanDerWaalsContact OG1-O 3.1Å; F77-V125 HydrophobicContact CB-CG1 4.37Å; F77-V125 HydrophobicContact CD2-CG1 4.1Å; A123-V125 PolarHBondContact O-N 2.95Å; V125-L172 WeakPolarHBondContact CA-O 3.38Å; V125-L172 HydrophobicContact CG2-CD2 4.39Å; V125-E174 HydrophobicContact CG1-CG 3.88Å; V125-E174 WeakPolarHBondContact CG1-OE1 3.41Å
126	L	98.6	Very high	93.3	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.01	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	105.4	167.7	-61	178.4	0	0	0	108	Y156 L163 I171 L172 I173 E174 V189	L126-Y156 HydrophobicContact CB-CD1 4.15Å; L126-Y156 HydrophobicContact CB-CE1 4.09Å; L126-Y156 HydrophobicContact CD1-CD1 4.16Å; L126-Y156 HydrophobicContact CD2-CD1 4.21Å; L126-Y156 HydrophobicContact CG-CD1 4.41Å; L126-L163 HydrophobicContact CD2-CD1 3.73Å; L126-L163 HydrophobicContact CG-CD1 4.32Å; L126-I171 HydrophobicContact CD1-CG2 3.73Å; L126-I171 HydrophobicContact CG-CG2 4.11Å; L126-L172 PolarHBondContact N-O 2.93Å; L126-I173 HydrophobicContact CB-CG1 4.47Å; L126-I173 HydrophobicContact CD1-CG1 4.35Å; L126-I173 WeakPolarHBondContact O-CA 3.23Å; L126-E174 PolarHBondContact O-N 3.13Å; L126-V189 HydrophobicContact CD1-CG2 3.7Å
127	G	94.4	Very high	92.5	Very high	1 Å²	1	29 Å²	29	1%	0.01	15%	0.147	C	C	.	.			trans	-76.1	176.7	175.4	0	0	0	0	0	113.3	F77 T129 Y156	F77-G127 VanDerWaalsContact O-CA 3.31Å; F77-G127 WeakPolarHBondContact O-CA 3.31Å; F77-G127 PolarHBondContact O-N 3.31Å; G127-T129 PolarHBondContact O-N 3.35Å; G127-Y156 WeakPolarHBondContact O-CE1 3.31Å; G127-Y156 PolarHBondContact O-OH 3.33Å
128	P	89.1	Confident	91.7	Very high	9 Å²	9	24.8 Å²	24.8	6%	0.058	13%	0.13	C	C	.	.			trans	-76.3	-3.2	-173.2	32.1	-37.6	0	0	0	114.6	F77 T175 F177 N181	F77-P128 HydrophobicContact CZ-CG 4.28Å; P128-T175 WeakPolarHBondContact CB-O 3.37Å; P128-T175 HydrophobicContact CG-CG2 4.4Å; P128-T175 WeakPolarHBondContact CG-O 3.42Å; P128-F177 HydrophobicContact CB-CD1 3.86Å; P128-F177 HydrophobicContact CB-CE1 3.38Å; P128-F177 HydrophobicContact CB-CE2 4.41Å; P128-F177 HydrophobicContact CB-CZ 3.68Å; P128-F177 HydrophobicContact CG-CD1 3.81Å; P128-F177 HydrophobicContact CG-CE1 3.23Å; P128-F177 HydrophobicContact CG-CZ 3.94Å; P128-N181 PolarHBondContact O-ND2 2.99Å
129	T	90.1	Very high	90.5	Very high	9 Å²	9	23.8 Å²	23.8	6%	0.055	13%	0.127	C	C	.	.			trans	64.4	177.1	-165.5	82.1	0	0	0	0	113.3	T80 I82 G127 R131 L152 Y156	T80-T129 HydrophobicContact CG2-CG2 4.29Å; I82-T129 HydrophobicContact CB-CG2 4.5Å; I82-T129 HydrophobicContact CD1-CG2 4.37Å; G127-T129 PolarHBondContact O-N 3.35Å; T129-R131 PolarHBondContact OG1-N 2.99Å; T129-R131 PolarHBondContact OG1-O 2.91Å; T129-R131 VanDerWaalsContact OG1-O 3.1Å; T129-L152 HydrophobicContact CG2-CD2 4.03Å; T129-Y156 HydrophobicContact CG2-CE1 4.32Å
130	N	86.1	Confident	89.3	Confident	67 Å²	67	29.1 Å²	29.1	36%	0.358	15%	0.154	S	C	.	.	S	Bend	trans	-93.1	9	175.3	66.1	-16.7	0	0	0	113.4	I82 D86	I82-N130 WeakPolarHBondContact CG2-OD1 3.37Å; D86-N130 PolarHBondContact OD1-ND2 3.2Å; D86-N130 PolarHBondContact OD2-ND2 2.9Å
131	R	91.2	Very high	88.4	Confident	86 Å²	86	30.6 Å²	30.6	33%	0.325	16%	0.163	S	C	.	.			trans	-130.3	150.2	179.5	-61.1	-173.5	-172.4	-176.9	6.3	111.7	I82 T129 N146 I147 N181	I82-R131 HydrophobicContact CG2-CB 4.4Å; I82-R131 HydrophobicContact CG2-CG 4.05Å; T129-R131 PolarHBondContact OG1-N 2.99Å; T129-R131 PolarHBondContact OG1-O 2.91Å; T129-R131 VanDerWaalsContact OG1-O 3.1Å; R131-N146 PolarHBondContact NH1-O 3.12Å; R131-I147 HydrophobicContact CB-CB 3.94Å; R131-I147 HydrophobicContact CB-CG2 3.77Å; R131-N181 PolarHBondContact O-ND2 2.84Å
132	T	92.2	Very high	87.6	Confident	23 Å²	23	31.5 Å²	31.5	14%	0.141	17%	0.172	C	C	.	.			trans	-112.7	135.2	-177	49.6	0	0	0	0	111	I135 I147 F177 D178	T132-I135 HydrophobicContact CG2-CD1 4.44Å; T132-I135 PolarHBondContact OG1-O 3.01Å; T132-I147 WeakPolarHBondContact O-CG2 3.02Å; T132-F177 HydrophobicContact CG2-CD2 4.42Å; T132-F177 HydrophobicContact CG2-CE2 3.65Å; T132-D178 WeakPolarHBondContact CA-OD2 3.48Å
133	A	95	Very high	87.1	Confident	7 Å²	7	31.8 Å²	31.8	6%	0.058	18%	0.175	C	C	.	.	S	Bend	trans	-88.8	-25	174.3	0	0	0	0	0	112.6	R145 I147 L152 D178 L180 N181	A133-R145 WeakPolarHBondContact O-CD 3.22Å; A133-R145 PolarHBondContact O-NE 3.12Å; A133-I147 HydrophobicContact CB-CG2 4.48Å; A133-L152 HydrophobicContact CB-CD1 3.75Å; A133-D178 PolarHBondContact N-OD2 2.82Å; A133-L180 HydrophobicContact CB-CB 4.16Å; A133-L180 HydrophobicContact CB-CD2 3.7Å; A133-L180 HydrophobicContact CB-CG 3.81Å; A133-N181 VanDerWaalsContact CB-OD1 3.26Å; A133-N181 WeakPolarHBondContact CB-OD1 3.25Å; A133-N181 PolarHBondContact N-OD1 3.05Å
134	S	91.9	Very high	86.6	Confident	5 Å²	5	35.8 Å²	35.8	4%	0.035	19%	0.192	C	C	.	.	S	Bend	trans	-89.7	-29.9	-178.5	-57.4	0	0	0	0	113.4	R145 D178 L180	S134-R145 PolarHBondContact O-NE 3.34Å; S134-R145 PolarHBondContact O-NH2 2.79Å; S134-D178 VanDerWaalsContact CB-OD1 3.29Å; S134-D178 WeakPolarHBondContact CB-OD1 3.46Å; S134-D178 PolarHBondContact N-OD2 2.93Å; S134-D178 PolarHBondContact OG-OD1 2.98Å; S134-L180 WeakPolarHBondContact OG-CB 3.47Å
135	I	88.1	Confident	86.4	Confident	49 Å²	49	37.4 Å²	37.4	25%	0.251	20%	0.199	S	C	.	.	S	Bend	trans	-109.3	135.7	-170.9	-51.1	172.8	0	0	0	109.8	T132 L216	T132-I135 HydrophobicContact CG2-CD1 4.44Å; T132-I135 PolarHBondContact OG1-O 3.01Å; I135-L216 HydrophobicContact CD1-CD2 4.49Å; I135-L216 HydrophobicContact CD1-CG 4.12Å
136	S	86.6	Confident	85.9	Confident	7 Å²	7	40 Å²	40	5%	0.049	21%	0.212	C	C	.	.			trans	-71.4	133.9	173.6	-171.5	0	0	0	0	111	D138 D141 F144	S136-D138 PolarHBondContact OG-N 3.01Å; S136-D138 VanDerWaalsContact OG-N 3.1Å; S136-D138 PolarHBondContact OG-O 3.37Å; S136-D141 PolarHBondContact OG-O 2.92Å; S136-F144 WeakPolarHBondContact CA-O 3.4Å; S136-F144 WeakPolarHBondContact CB-O 3.15Å; S136-F144 PolarHBondContact OG-O 3.31Å
137	P	76.1	Confident	85.8	Confident	64 Å²	64	40.8 Å²	40.8	42%	0.416	22%	0.216	S	C	.	.	S	Bend	trans	-86.4	-12	166.3	36.7	-37.4	0	0	0	112.6	F144 N146	P137-F144 HydrophobicContact CG-CD1 3.77Å; P137-F144 HydrophobicContact CG-CE1 3.73Å; P137-N146 HydrophobicContact CG-CB 3.79Å
138	D	73.1	Confident	85.9	Confident	60 Å²	60	45 Å²	45	32%	0.321	24%	0.242	S	C	.	.			trans	-108.9	114.3	178.9	-176.8	-4.6	0	0	0	109.6	S136 N140 D141 F144	S136-D138 PolarHBondContact OG-N 3.01Å; S136-D138 VanDerWaalsContact OG-N 3.1Å; S136-D138 PolarHBondContact OG-O 3.37Å; D138-N140 VanDerWaalsContact C-N 3.27Å; D138-N140 PolarHBondContact O-N 3.16Å; D138-N140 PolarHBondContact OD1-N 3.15Å; D138-N140 PolarHBondContact OD1-ND2 3.23Å; D138-D141 CarbonylContact O-C 3.49Å; D138-D141 VanDerWaalsContact O-C 3.29Å; D138-D141 PolarHBondContact O-N 3.41Å; D138-F144 HydrophobicContact CB-CB 4.16Å; D138-F144 HydrophobicContact CB-CD1 3.51Å; D138-F144 HydrophobicContact CB-CE1 4.22Å; D138-F144 HydrophobicContact CB-CG 4.08Å
139	V	65.4	Low	86.3	Confident	24 Å²	24	45 Å²	45	15%	0.145	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-13.1	-173.5	178.7	0	0	0	0	113.6	D141 P954 L957 E958	V139-D141 VanDerWaalsContact C-N 3.31Å; V139-P954 HydrophobicContact CB-CB 3.53Å; V139-P954 HydrophobicContact CB-CG 3.82Å; V139-P954 HydrophobicContact CG1-CB 3.61Å; V139-P954 HydrophobicContact CG1-CG 4.44Å; V139-P954 HydrophobicContact CG2-CB 3.44Å; V139-P954 VanDerWaalsContact CG2-CB 3.44Å; V139-P954 HydrophobicContact CG2-CG 3.39Å; V139-L957 HydrophobicContact CG1-CB 4.15Å; V139-L957 HydrophobicContact CG1-CD1 4.04Å; V139-E958 WeakPolarHBondContact CA-OE1 3.15Å; V139-E958 HydrophobicContact CG1-CG 4.29Å
140	N	68.3	Low	86.7	Confident	152 Å²	152	48 Å²	48	81%	0.813	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-14.5	172.8	-57.6	-70.3	0	0	0	112.2	D138	D138-N140 VanDerWaalsContact C-N 3.27Å; D138-N140 PolarHBondContact O-N 3.16Å; D138-N140 PolarHBondContact OD1-N 3.15Å; D138-N140 PolarHBondContact OD1-ND2 3.23Å
141	D	77.4	Confident	87.3	Confident	44 Å²	44	46 Å²	46	24%	0.235	25%	0.252	C	S	.	.			trans	-134.9	88.8	176.9	-172.1	5.5	0	0	0	109.9	S136 D138 V139 A143 F144 R408	S136-D141 PolarHBondContact OG-O 2.92Å; D138-D141 CarbonylContact O-C 3.49Å; D138-D141 VanDerWaalsContact O-C 3.29Å; D138-D141 PolarHBondContact O-N 3.41Å; V139-D141 VanDerWaalsContact C-N 3.31Å; D141-A143 PolarHBondContact O-N 3.09Å; D141-A143 VanDerWaalsContact OD1-CB 3.28Å; D141-A143 WeakPolarHBondContact OD1-CB 3.46Å; D141-A143 PolarHBondContact OD1-N 2.68Å; D141-A143 VanDerWaalsContact OD1-N 3.12Å; D141-F144 HydrophobicContact CB-CB 3.84Å; D141-F144 VanDerWaalsContact O-CB 3.25Å; D141-F144 WeakPolarHBondContact O-CB 3.41Å; D141-F144 PolarHBondContact O-N 3.31Å; D141-R408 IonicContact OD1-NH1 2.78Å; D141-R408 IonicContact OD2-NH1 3.15Å
142	P	81.3	Confident	87.6	Confident	51 Å²	51	41.9 Å²	41.9	33%	0.331	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-14.9	176.9	19.4	-30.1	0	0	0	113.1	R145 L412	P142-R145 PolarHBondContact O-NH1 3.15Å; P142-L412 HydrophobicContact CB-CD2 4.14Å; P142-L412 HydrophobicContact CG-CD2 3.7Å
143	A	88.1	Confident	87.9	Confident	7 Å²	7	41.5 Å²	41.5	6%	0.058	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-12.7	173.8	0	0	0	0	0	114.1	D141 R145 R408 N411 L412	D141-A143 PolarHBondContact O-N 3.09Å; D141-A143 VanDerWaalsContact OD1-CB 3.28Å; D141-A143 WeakPolarHBondContact OD1-CB 3.46Å; D141-A143 PolarHBondContact OD1-N 2.68Å; D141-A143 VanDerWaalsContact OD1-N 3.12Å; A143-R145 PolarHBondContact O-NH1 2.84Å; A143-R408 HydrophobicContact CB-CG 4.19Å; A143-N411 HydrophobicContact CB-CB 4.15Å; A143-N411 WeakPolarHBondContact O-CB 3.31Å; A143-N411 PolarHBondContact O-ND2 3.02Å; A143-L412 HydrophobicContact CB-CD2 3.78Å; A143-L412 HydrophobicContact CB-CG 3.78Å
144	F	89.6	Confident	88.1	Confident	83 Å²	83	44.2 Å²	44.2	36%	0.364	26%	0.256	S	S	.	.			trans	-70.4	142.9	-175.4	177.5	-106.8	0	0	0	111.6	S136 P137 D138 D141 N146	S136-F144 WeakPolarHBondContact CA-O 3.4Å; S136-F144 WeakPolarHBondContact CB-O 3.15Å; S136-F144 PolarHBondContact OG-O 3.31Å; P137-F144 HydrophobicContact CG-CD1 3.77Å; P137-F144 HydrophobicContact CG-CE1 3.73Å; D138-F144 HydrophobicContact CB-CB 4.16Å; D138-F144 HydrophobicContact CB-CD1 3.51Å; D138-F144 HydrophobicContact CB-CE1 4.22Å; D138-F144 HydrophobicContact CB-CG 4.08Å; D141-F144 HydrophobicContact CB-CB 3.84Å; D141-F144 VanDerWaalsContact O-CB 3.25Å; D141-F144 WeakPolarHBondContact O-CB 3.41Å; D141-F144 PolarHBondContact O-N 3.31Å; F144-N146 HydrophobicContact CE1-CB 3.85Å; F144-N146 HydrophobicContact CZ-CB 4.12Å
145	R	92.8	Very high	88.4	Confident	35 Å²	35	44 Å²	44	13%	0.132	26%	0.255	C	S	.	.			trans	-136.6	122.9	174.2	-60.8	-63.5	-178.6	-85.1	2.8	109	A133 S134 P142 A143 I147 N411	A133-R145 WeakPolarHBondContact O-CD 3.22Å; A133-R145 PolarHBondContact O-NE 3.12Å; S134-R145 PolarHBondContact O-NE 3.34Å; S134-R145 PolarHBondContact O-NH2 2.79Å; P142-R145 PolarHBondContact O-NH1 3.15Å; A143-R145 PolarHBondContact O-NH1 2.84Å; R145-I147 WeakPolarHBondContact CB-O 3.29Å; R145-I147 PolarHBondContact O-N 3.44Å; R145-N411 PolarHBondContact NH2-O 2.95Å
146	N	89.3	Confident	88.9	Confident	54 Å²	54	41.8 Å²	41.8	29%	0.289	24%	0.244	S	C	.	.	S	Bend	trans	-85	3	177.7	70.3	-9.7	0	0	0	113.5	R131 P137 F144	R131-N146 PolarHBondContact NH1-O 3.12Å; P137-N146 HydrophobicContact CG-CB 3.79Å; F144-N146 HydrophobicContact CE1-CB 3.85Å; F144-N146 HydrophobicContact CZ-CB 4.12Å
147	I	96	Very high	89.5	Confident	19 Å²	19	45.7 Å²	45.7	10%	0.097	26%	0.257	C	S	.	.	S	Bend	trans	-144	147.9	172	-167.3	61.3	0	0	0	108.9	I82 R131 T132 A133 R145 L152	I82-I147 HydrophobicContact CD1-CD1 3.67Å; I82-I147 HydrophobicContact CD1-CG1 4.11Å; I82-I147 HydrophobicContact CG1-CD1 4.13Å; R131-I147 HydrophobicContact CB-CB 3.94Å; R131-I147 HydrophobicContact CB-CG2 3.77Å; T132-I147 WeakPolarHBondContact O-CG2 3.02Å; A133-I147 HydrophobicContact CB-CG2 4.48Å; R145-I147 WeakPolarHBondContact CB-O 3.29Å; R145-I147 PolarHBondContact O-N 3.44Å; I147-L152 HydrophobicContact CG1-CD1 4.32Å; I147-L152 HydrophobicContact CG1-CD2 4.13Å; I147-L152 HydrophobicContact CG1-CG 3.75Å; I147-L152 HydrophobicContact CG2-CD1 4.36Å
148	T	96.1	Very high	90.6	Very high	90 Å²	90	46.1 Å²	46.1	55%	0.552	25%	0.254	S	S	*	.			trans	-107.3	155.7	175.4	61.5	0	0	0	0	110	D150 G151 L152	T148-D150 PolarHBondContact O-N 3.27Å; T148-G151 PolarHBondContact O-N 3.5Å; T148-G151 PolarHBondContact OG1-N 3.14Å; T148-G151 VanDerWaalsContact OG1-N 3.12Å; T148-L152 PolarHBondContact O-N 3.1Å
149	F	98.2	Very high	91.8	Very high	9 Å²	9	43.3 Å²	43.3	4%	0.039	24%	0.239	C	C	.	.	H	α-helix	trans	-51.9	-45.3	172.8	-171.8	-84.5	0	0	0	111.6	G151 L152 V153 L180 K183 A184 F187 K439 Y469	F149-G151 VanDerWaalsContact C-N 3.32Å; F149-G151 PolarHBondContact O-N 3.06Å; F149-L152 WeakPolarHBondContact O-CB 3.36Å; F149-L152 PolarHBondContact O-N 3.23Å; F149-V153 HydrophobicContact CD1-CG2 3.71Å; F149-V153 HydrophobicContact CE1-CG2 3.47Å; F149-V153 VanDerWaalsContact CE1-CG2 3.47Å; F149-V153 HydrophobicContact CZ-CG2 4.29Å; F149-V153 WeakPolarHBondContact O-CG2 3.43Å; F149-V153 PolarHBondContact O-N 2.93Å; F149-L180 HydrophobicContact CD2-CD1 3.75Å; F149-L180 HydrophobicContact CD2-CG 4.26Å; F149-L180 HydrophobicContact CE2-CD1 3.95Å; F149-K183 HydrophobicContact CE2-CB 4.09Å; F149-A184 HydrophobicContact CD1-CB 4.45Å; F149-A184 HydrophobicContact CD2-CB 3.84Å; F149-A184 HydrophobicContact CE1-CB 4.3Å; F149-A184 HydrophobicContact CE2-CB 3.66Å; F149-A184 HydrophobicContact CG-CB 4.24Å; F149-A184 VanDerWaalsContact CZ-CA 3.46Å; F149-A184 HydrophobicContact CZ-CB 3.91Å; F149-F187 HydrophobicContact CE1-CB 4.31Å; F149-F187 HydrophobicContact CE1-CD2 4.38Å; F149-F187 HydrophobicContact CE1-CG 4.21Å; F149-F187 HydrophobicContact CZ-CB 4.14Å; F149-F187 HydrophobicContact CZ-CG 4.43Å; F149-K439 HydrophobicContact CB-CB 3.8Å; F149-K439 HydrophobicContact CB-CD 4.39Å; F149-K439 HydrophobicContact CB-CG 4Å; F149-K439 HydrophobicContact CD1-CD 4.31Å; F149-K439 HydrophobicContact CD1-CG 3.85Å; F149-K439 HydrophobicContact CE1-CG 4.5Å; F149-K439 HydrophobicContact CG-CB 4.06Å; F149-K439 HydrophobicContact CG-CG 3.9Å; F149-Y469 HydrophobicContact CD1-CE1 4.45Å; F149-Y469 HydrophobicContact CE1-CD1 4.35Å; F149-Y469 AromaticContact CE1-CE1 3.75Å; F149-Y469 HydrophobicContact CE1-CE1 3.75Å; F149-Y469 HydrophobicContact CZ-CD1 4.14Å; F149-Y469 HydrophobicContact CZ-CE1 4.01Å
150	D	98.3	Very high	93.4	Very high	72 Å²	72	42.1 Å²	42.1	39%	0.385	23%	0.232	S	C	.	.	H	α-helix	trans	-65.5	-34.8	179.5	-65.9	-30.1	0	0	0	112.4	T148 V153 A154 K439	T148-D150 PolarHBondContact O-N 3.27Å; D150-V153 PolarHBondContact O-N 3.41Å; D150-A154 WeakPolarHBondContact O-CB 3.38Å; D150-A154 PolarHBondContact O-N 3.4Å; D150-K439 VanDerWaalsContact CG-NZ 3.28Å; D150-K439 VanDerWaalsContact OD1-CE 3.29Å; D150-K439 WeakPolarHBondContact OD1-CE 3.49Å; D150-K439 IonicContact OD1-NZ 3Å; D150-K439 PolarHBondContact OD1-NZ 2.77Å; D150-K439 IonicContact OD2-NZ 2.75Å; D150-K439 PolarHBondContact OD2-NZ 3.16Å
151	G	97.7	Very high	94.8	Very high	25 Å²	25	39.1 Å²	39.1	26%	0.258	21%	0.211	S	C	.	.	H	α-helix	trans	-64	-43.1	173.1	0	0	0	0	0	112.7	T148 F149 A154 A155	T148-G151 PolarHBondContact O-N 3.5Å; T148-G151 PolarHBondContact OG1-N 3.14Å; T148-G151 VanDerWaalsContact OG1-N 3.12Å; F149-G151 VanDerWaalsContact C-N 3.32Å; F149-G151 PolarHBondContact O-N 3.06Å; G151-A154 PolarHBondContact O-N 2.86Å; G151-A155 PolarHBondContact O-N 3.31Å; G151-A155 VanDerWaalsContact O-N 3.13Å
152	L	98.5	Very high	95.8	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-62.5	-46.3	172.8	-73	160.9	0	0	0	111.3	I82 T129 A133 I147 T148 F149 A154 A155 Y156 N181 A184	I82-L152 HydrophobicContact CD1-CD2 3.77Å; I82-L152 HydrophobicContact CD1-CG 4.35Å; T129-L152 HydrophobicContact CG2-CD2 4.03Å; A133-L152 HydrophobicContact CB-CD1 3.75Å; I147-L152 HydrophobicContact CG1-CD1 4.32Å; I147-L152 HydrophobicContact CG1-CD2 4.13Å; I147-L152 HydrophobicContact CG1-CG 3.75Å; I147-L152 HydrophobicContact CG2-CD1 4.36Å; T148-L152 PolarHBondContact O-N 3.1Å; F149-L152 WeakPolarHBondContact O-CB 3.36Å; F149-L152 PolarHBondContact O-N 3.23Å; L152-A154 VanDerWaalsContact C-N 3.31Å; L152-A154 PolarHBondContact O-N 3.24Å; L152-A155 PolarHBondContact O-N 3.34Å; L152-Y156 HydrophobicContact CB-CD2 4.21Å; L152-Y156 HydrophobicContact CB-CE2 4.17Å; L152-Y156 HydrophobicContact CD2-CE2 4Å; L152-Y156 WeakPolarHBondContact O-CB 3.38Å; L152-Y156 WeakPolarHBondContact O-CD2 3.4Å; L152-Y156 PolarHBondContact O-N 3.3Å; L152-N181 HydrophobicContact CD1-CB 4.39Å; L152-N181 WeakPolarHBondContact CD1-OD1 3.4Å; L152-A184 HydrophobicContact CB-CB 3.66Å; L152-A184 HydrophobicContact CD1-CB 4.26Å
153	V	98.6	Very high	96.7	Very high	14 Å²	14	34.8 Å²	34.8	9%	0.085	19%	0.186	C	C	.	.	H	α-helix	trans	-57.4	-46.1	178	169.7	0	0	0	0	110.8	F149 D150 A155 Y156 R157 A184 F187 A188	F149-V153 HydrophobicContact CD1-CG2 3.71Å; F149-V153 HydrophobicContact CE1-CG2 3.47Å; F149-V153 VanDerWaalsContact CE1-CG2 3.47Å; F149-V153 HydrophobicContact CZ-CG2 4.29Å; F149-V153 WeakPolarHBondContact O-CG2 3.43Å; F149-V153 PolarHBondContact O-N 2.93Å; D150-V153 PolarHBondContact O-N 3.41Å; V153-A155 PolarHBondContact O-N 3.3Å; V153-Y156 PolarHBondContact O-N 3.15Å; V153-R157 HydrophobicContact CG1-CG 4.28Å; V153-R157 WeakPolarHBondContact O-CB 3.34Å; V153-R157 VanDerWaalsContact O-CG 3.23Å; V153-R157 WeakPolarHBondContact O-CG 3.35Å; V153-R157 PolarHBondContact O-N 3.47Å; V153-A184 HydrophobicContact CG2-CB 4.04Å; V153-F187 HydrophobicContact CG1-CD1 3.96Å; V153-F187 HydrophobicContact CG1-CE1 4.37Å; V153-F187 HydrophobicContact CG2-CB 4.37Å; V153-F187 HydrophobicContact CG2-CD1 3.96Å; V153-F187 HydrophobicContact CG2-CG 4.4Å; V153-A188 HydrophobicContact CG1-CB 4.21Å
154	A	98.5	Very high	97.2	Very high	64 Å²	64	35.8 Å²	35.8	53%	0.529	19%	0.192	S	C	.	.	H	α-helix	trans	-60.4	-46.2	178.9	0	0	0	0	0	112.2	D150 G151 L152 R157 E158	D150-A154 WeakPolarHBondContact O-CB 3.38Å; D150-A154 PolarHBondContact O-N 3.4Å; G151-A154 PolarHBondContact O-N 2.86Å; L152-A154 VanDerWaalsContact C-N 3.31Å; L152-A154 PolarHBondContact O-N 3.24Å; A154-R157 PolarHBondContact O-N 3.31Å; A154-E158 PolarHBondContact O-N 3.26Å
155	A	98.5	Very high	97.6	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.008	20%	0.199	C	C	.	.	H	α-helix	trans	-63.6	-48.3	178.5	0	0	0	0	0	112.1	T81 I82 G151 L152 V153 R157 E158 S159	T81-A155 WeakPolarHBondContact OG1-CB 3.27Å; I82-A155 HydrophobicContact CD1-CB 3.65Å; I82-A155 HydrophobicContact CG1-CB 3.89Å; G151-A155 PolarHBondContact O-N 3.31Å; G151-A155 VanDerWaalsContact O-N 3.13Å; L152-A155 PolarHBondContact O-N 3.34Å; V153-A155 PolarHBondContact O-N 3.3Å; A155-R157 VanDerWaalsContact C-N 3.33Å; A155-R157 PolarHBondContact O-N 2.89Å; A155-E158 PolarHBondContact O-N 3.42Å; A155-S159 PolarHBondContact O-N 3.03Å; A155-S159 PolarHBondContact O-OG 2.83Å
156	Y	98.7	Very high	97.9	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.008	20%	0.196	C	C	.	.	H	α-helix	trans	-65.7	-33.3	179.8	-74.7	-52.7	0	0	0	113.2	T80 L126 G127 T129 L152 V153 T160 A185	T80-Y156 HydrophobicContact CG2-CD1 4.37Å; T80-Y156 HydrophobicContact CG2-CE1 4.28Å; L126-Y156 HydrophobicContact CB-CD1 4.15Å; L126-Y156 HydrophobicContact CB-CE1 4.09Å; L126-Y156 HydrophobicContact CD1-CD1 4.16Å; L126-Y156 HydrophobicContact CD2-CD1 4.21Å; L126-Y156 HydrophobicContact CG-CD1 4.41Å; G127-Y156 WeakPolarHBondContact O-CE1 3.31Å; G127-Y156 PolarHBondContact O-OH 3.33Å; T129-Y156 HydrophobicContact CG2-CE1 4.32Å; L152-Y156 HydrophobicContact CB-CD2 4.21Å; L152-Y156 HydrophobicContact CB-CE2 4.17Å; L152-Y156 HydrophobicContact CD2-CE2 4Å; L152-Y156 WeakPolarHBondContact O-CB 3.38Å; L152-Y156 WeakPolarHBondContact O-CD2 3.4Å; L152-Y156 PolarHBondContact O-N 3.3Å; V153-Y156 PolarHBondContact O-N 3.15Å; Y156-T160 VanDerWaalsContact O-CB 3.25Å; Y156-T160 WeakPolarHBondContact O-CB 3.39Å; Y156-T160 PolarHBondContact O-N 3.26Å; Y156-T160 PolarHBondContact O-OG1 3.2Å; Y156-A185 HydrophobicContact CD1-CB 4.29Å; Y156-A185 HydrophobicContact CD2-CB 3.72Å; Y156-A185 HydrophobicContact CE1-CB 4.31Å; Y156-A185 HydrophobicContact CE2-CB 3.74Å; Y156-A185 HydrophobicContact CG-CB 4.01Å
157	R	98.6	Very high	98.3	Very high	89 Å²	89	34.5 Å²	34.5	34%	0.336	20%	0.196	S	C	.	.	H	α-helix	trans	-64.1	-43.7	175	-77.8	-174.3	66.3	-164.6	-2.6	111.9	V153 A154 A155 T160 K161 A188 E192	V153-R157 HydrophobicContact CG1-CG 4.28Å; V153-R157 WeakPolarHBondContact O-CB 3.34Å; V153-R157 VanDerWaalsContact O-CG 3.23Å; V153-R157 WeakPolarHBondContact O-CG 3.35Å; V153-R157 PolarHBondContact O-N 3.47Å; A154-R157 PolarHBondContact O-N 3.31Å; A155-R157 VanDerWaalsContact C-N 3.33Å; A155-R157 PolarHBondContact O-N 2.89Å; R157-T160 PolarHBondContact O-N 3.41Å; R157-K161 WeakPolarHBondContact O-CB 3.48Å; R157-K161 PolarHBondContact O-N 2.87Å; R157-A188 HydrophobicContact CG-CB 3.64Å; R157-E192 HydrophobicContact CG-CB 4.47Å; R157-E192 IonicContact CZ-OE2 3.98Å; R157-E192 VanDerWaalsContact CZ-OE2 3.23Å; R157-E192 IonicContact NE-OE2 3.21Å; R157-E192 PolarHBondContact NE-OE2 3.44Å; R157-E192 IonicContact NH2-OE2 3.97Å; R157-E192 PolarHBondContact NH2-OE2 3.45Å
158	E	98.7	Very high	98.4	Very high	74 Å²	74	34 Å²	34	35%	0.346	19%	0.194	S	C	.	.	H	α-helix	trans	-60.2	-51	177.2	-174.1	-169.7	86.5	0	0	111.3	T81 S93 A94 A154 A155 T160 K161 A162	T81-E158 WeakPolarHBondContact CG2-OE1 3.34Å; S93-E158 WeakPolarHBondContact CB-OE1 3.34Å; S93-E158 PolarHBondContact OG-OE1 3.16Å; A94-E158 HydrophobicContact CB-CG 3.94Å; A94-E158 PolarHBondContact N-OE1 3.31Å; A154-E158 PolarHBondContact O-N 3.26Å; A155-E158 PolarHBondContact O-N 3.42Å; E158-T160 PolarHBondContact O-N 3.31Å; E158-K161 PolarHBondContact O-N 3.45Å; E158-A162 PolarHBondContact O-N 2.92Å; E158-A162 VanDerWaalsContact O-N 3.13Å
159	S	98.7	Very high	98.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-61.4	-45.9	178.7	-53.7	0	0	0	0	111.2	S79 N97 A155 K161 A162 L163	S79-S159 PolarHBondContact O-OG 2.9Å; N97-S159 PolarHBondContact ND2-OG 3.28Å; A155-S159 PolarHBondContact O-N 3.03Å; A155-S159 PolarHBondContact O-OG 2.83Å; S159-K161 PolarHBondContact O-N 3.3Å; S159-A162 PolarHBondContact O-N 3.16Å; S159-L163 WeakPolarHBondContact O-CB 3.5Å; S159-L163 VanDerWaalsContact O-CG 3.23Å; S159-L163 WeakPolarHBondContact O-CG 3.4Å; S159-L163 PolarHBondContact O-N 3.46Å
160	T	98.8	Very high	98.5	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-57.5	-48.7	178.6	-60	0	0	0	0	111.3	Y156 R157 E158 A162 L163 V164 I171 V189 E192 F193	Y156-T160 VanDerWaalsContact O-CB 3.25Å; Y156-T160 WeakPolarHBondContact O-CB 3.39Å; Y156-T160 PolarHBondContact O-N 3.26Å; Y156-T160 PolarHBondContact O-OG1 3.2Å; R157-T160 PolarHBondContact O-N 3.41Å; E158-T160 PolarHBondContact O-N 3.31Å; T160-A162 VanDerWaalsContact C-N 3.34Å; T160-A162 PolarHBondContact O-N 3.45Å; T160-L163 PolarHBondContact O-N 3Å; T160-V164 HydrophobicContact CG2-CG2 4.31Å; T160-V164 VanDerWaalsContact O-CG2 3.28Å; T160-V164 WeakPolarHBondContact O-CG2 3.5Å; T160-V164 PolarHBondContact O-N 2.94Å; T160-I171 HydrophobicContact CG2-CD1 4.45Å; T160-V189 HydrophobicContact CG2-CG1 4.49Å; T160-V189 HydrophobicContact CG2-CG2 4.21Å; T160-E192 HydrophobicContact CG2-CB 4.2Å; T160-E192 HydrophobicContact CG2-CG 4.41Å; T160-F193 HydrophobicContact CG2-CD1 4.45Å; T160-F193 HydrophobicContact CG2-CE1 4.07Å
161	K	98.8	Very high	98.6	Very high	88 Å²	88	28.5 Å²	28.5	38%	0.383	16%	0.162	S	C	.	.	H	α-helix	trans	-56.9	-49.1	178.5	179.2	178.1	175.2	-179.5	0	111.4	R157 E158 S159 L163 V164 E165 E192 L196	R157-K161 WeakPolarHBondContact O-CB 3.48Å; R157-K161 PolarHBondContact O-N 2.87Å; E158-K161 PolarHBondContact O-N 3.45Å; S159-K161 PolarHBondContact O-N 3.3Å; K161-L163 PolarHBondContact O-N 2.88Å; K161-V164 PolarHBondContact O-N 3.32Å; K161-E165 WeakPolarHBondContact CE-OE1 3.31Å; K161-E165 HydrophobicContact CG-CG 4.48Å; K161-E165 IonicContact NZ-OE1 2.73Å; K161-E165 WeakPolarHBondContact O-CB 3.35Å; K161-E165 WeakPolarHBondContact O-CG 3.37Å; K161-E165 PolarHBondContact O-N 2.78Å; K161-E192 HydrophobicContact CB-CG 3.95Å; K161-L196 HydrophobicContact CG-CD1 4.45Å; K161-L196 HydrophobicContact CG-CD2 4.45Å
162	A	98.8	Very high	98.6	Very high	5 Å²	5	27.3 Å²	27.3	4%	0.041	15%	0.15	C	C	.	.	H	α-helix	trans	-64.2	-39.3	-179.4	0	0	0	0	0	112.9	A94 N97 F98 E158 S159 T160 G166	A94-A162 HydrophobicContact CB-CB 4.38Å; A94-A162 VanDerWaalsContact O-CB 3.29Å; A94-A162 WeakPolarHBondContact O-CB 3.26Å; N97-A162 HydrophobicContact CB-CB 3.55Å; F98-A162 HydrophobicContact CB-CB 4.3Å; E158-A162 PolarHBondContact O-N 2.92Å; E158-A162 VanDerWaalsContact O-N 3.13Å; S159-A162 PolarHBondContact O-N 3.16Å; T160-A162 VanDerWaalsContact C-N 3.34Å; T160-A162 PolarHBondContact O-N 3.45Å; A162-G166 PolarHBondContact O-N 3.4Å
163	L	98.9	Very high	98.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-63.5	-43.9	175.3	-70.7	167	0	0	0	112	T76 N97 A101 L126 S159 T160 K161 G166 G167 A168 I171	T76-L163 HydrophobicContact CG2-CD2 3.94Å; N97-L163 HydrophobicContact CB-CD2 4.23Å; N97-L163 HydrophobicContact CB-CG 4.17Å; A101-L163 HydrophobicContact CB-CD2 4.18Å; L126-L163 HydrophobicContact CD2-CD1 3.73Å; L126-L163 HydrophobicContact CG-CD1 4.32Å; S159-L163 WeakPolarHBondContact O-CB 3.5Å; S159-L163 VanDerWaalsContact O-CG 3.23Å; S159-L163 WeakPolarHBondContact O-CG 3.4Å; S159-L163 PolarHBondContact O-N 3.46Å; T160-L163 PolarHBondContact O-N 3Å; K161-L163 PolarHBondContact O-N 2.88Å; L163-G166 PolarHBondContact O-N 2.92Å; L163-G167 PolarHBondContact O-N 2.85Å; L163-A168 HydrophobicContact CB-CB 4.42Å; L163-A168 WeakPolarHBondContact O-CB 3.48Å; L163-A168 PolarHBondContact O-N 3.44Å; L163-A168 VanDerWaalsContact O-N 3.08Å; L163-I171 HydrophobicContact CB-CD1 4.24Å; L163-I171 HydrophobicContact CD1-CD1 4.37Å
164	V	98.7	Very high	98.5	Very high	28 Å²	28	27.1 Å²	27.1	17%	0.17	15%	0.148	C	C	.	.	H	α-helix	trans	-63.9	-48.7	176.6	172.9	0	0	0	0	110.6	T160 K161 G166 G167 I171 F193 L196 V198 L200	T160-V164 HydrophobicContact CG2-CG2 4.31Å; T160-V164 VanDerWaalsContact O-CG2 3.28Å; T160-V164 WeakPolarHBondContact O-CG2 3.5Å; T160-V164 PolarHBondContact O-N 2.94Å; K161-V164 PolarHBondContact O-N 3.32Å; V164-G166 PolarHBondContact O-N 2.79Å; V164-G167 PolarHBondContact O-N 3.15Å; V164-I171 HydrophobicContact CG2-CD1 4.48Å; V164-F193 HydrophobicContact CG2-CE1 4.02Å; V164-L196 HydrophobicContact CB-CD1 4.17Å; V164-L196 HydrophobicContact CG1-CD1 3.98Å; V164-L196 HydrophobicContact CG2-CD1 4.49Å; V164-V198 HydrophobicContact CG1-CG2 4.22Å; V164-L200 HydrophobicContact CG2-CD1 3.91Å
165	E	98.5	Very high	98.4	Very high	110 Å²	110	25 Å²	25	51%	0.514	13%	0.128	S	C	.	.	H	α-helix	trans	-63.3	-30.6	177.9	-72.7	179.5	173.6	0	0	112.5	F98 K161 G167	F98-E165 HydrophobicContact CD2-CB 4.06Å; F98-E165 HydrophobicContact CE2-CB 4.19Å; F98-E165 WeakPolarHBondContact CE2-O 3.3Å; K161-E165 WeakPolarHBondContact CE-OE1 3.31Å; K161-E165 HydrophobicContact CG-CG 4.48Å; K161-E165 IonicContact NZ-OE1 2.73Å; K161-E165 WeakPolarHBondContact O-CB 3.35Å; K161-E165 WeakPolarHBondContact O-CG 3.37Å; K161-E165 PolarHBondContact O-N 2.78Å; E165-G167 VanDerWaalsContact C-N 3.29Å; E165-G167 PolarHBondContact O-N 2.72Å
166	G	98.4	Very high	98.3	Very high	8 Å²	8	25.1 Å²	25.1	8%	0.082	13%	0.129	C	C	.	.	H	α-helix	trans	-75.2	-12.4	174.6	0	0	0	0	0	114.5	A101 K102 A162 L163 V164	A101-G166 CarbonylContact C-O 3.53Å; K102-G166 VanDerWaalsContact CA-O 3.29Å; K102-G166 WeakPolarHBondContact CA-O 3.2Å; K102-G166 PolarHBondContact N-O 2.98Å; A162-G166 PolarHBondContact O-N 3.4Å; L163-G166 PolarHBondContact O-N 2.92Å; V164-G166 PolarHBondContact O-N 2.79Å
167	G	98.1	Very high	98	Very high	27 Å²	27	27 Å²	27	28%	0.278	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	99.6	29.1	174	0	0	0	0	0	115.7	R105 L163 V164 E165	R105-G167 WeakPolarHBondContact CD-O 3.5Å; L163-G167 PolarHBondContact O-N 2.85Å; V164-G167 PolarHBondContact O-N 3.15Å; E165-G167 VanDerWaalsContact C-N 3.29Å; E165-G167 PolarHBondContact O-N 2.72Å
168	A	98.5	Very high	97.9	Very high	8 Å²	8	22.9 Å²	22.9	7%	0.066	12%	0.122	C	C	.	.			trans	-62.1	140.7	168.1	0	0	0	0	0	111.5	L163 L200	L163-A168 HydrophobicContact CB-CB 4.42Å; L163-A168 WeakPolarHBondContact O-CB 3.48Å; L163-A168 PolarHBondContact O-N 3.44Å; L163-A168 VanDerWaalsContact O-N 3.08Å; A168-L200 WeakPolarHBondContact O-CD1 3.34Å
169	D	98.4	Very high	97.8	Very high	55 Å²	55	19.4 Å²	19.4	29%	0.294	11%	0.106	S	C	.	.	S	Bend	trans	-87	-24.6	177.6	-65.9	-64.9	0	0	0	112.5	R105 Y121 V122 P201	R105-D169 IonicContact CZ-OD2 3.9Å; R105-D169 VanDerWaalsContact NH1-CG 3.33Å; R105-D169 IonicContact NH1-OD1 3.19Å; R105-D169 PolarHBondContact NH1-OD1 3.07Å; R105-D169 IonicContact NH1-OD2 3.86Å; R105-D169 PolarHBondContact NH1-OD2 3.26Å; Y121-D169 VanDerWaalsContact CA-OD2 3.25Å; Y121-D169 WeakPolarHBondContact CA-OD2 3.45Å; Y121-D169 HydrophobicContact CD1-CB 4.4Å; V122-D169 PolarHBondContact N-OD2 3.2Å; V122-D169 PolarHBondContact O-N 2.89Å; D169-P201 WeakPolarHBondContact O-CD 3.44Å
170	L	98.5	Very high	97.8	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.005	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	161.9	-178.3	66.2	87.6	0	0	0	110.2	M1 V122 A123 G124 L172 P201 M203	M1-L170 HydrophobicContact CE-CD2 3.72Å; M1-L170 HydrophobicContact SD-CD2 3.63Å; V122-L170 PolarHBondContact O-N 3.34Å; A123-L170 HydrophobicContact CB-CD1 3.49Å; A123-L170 VanDerWaalsContact CB-CD1 3.49Å; A123-L170 HydrophobicContact CB-CG 4.19Å; G124-L170 PolarHBondContact N-O 3.45Å; L170-L172 HydrophobicContact CD1-CB 4.29Å; L170-P201 WeakPolarHBondContact CA-O 3.5Å; L170-P201 HydrophobicContact CB-CB 4.17Å; L170-P201 HydrophobicContact CB-CG 4.47Å; L170-P201 WeakPolarHBondContact CB-O 3.48Å; L170-M203 HydrophobicContact CD1-CG 4.13Å; L170-M203 HydrophobicContact CD1-SD 3.76Å; L170-M203 HydrophobicContact CD2-SD 3.89Å; L170-M203 HydrophobicContact CG-SD 4.5Å
171	I	98.8	Very high	97.7	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	127.8	173.8	-58.3	-61.2	0	0	0	109.3	G124 L126 T160 L163 V164 I173 V189 F193 P201 I202 M203	G124-I171 CarbonylContact O-C 3.28Å; G124-I171 WeakPolarHBondContact O-CA 3.49Å; L126-I171 HydrophobicContact CD1-CG2 3.73Å; L126-I171 HydrophobicContact CG-CG2 4.11Å; T160-I171 HydrophobicContact CG2-CD1 4.45Å; L163-I171 HydrophobicContact CB-CD1 4.24Å; L163-I171 HydrophobicContact CD1-CD1 4.37Å; V164-I171 HydrophobicContact CG2-CD1 4.48Å; I171-I173 HydrophobicContact CG2-CG1 4.49Å; I171-V189 HydrophobicContact CG1-CG1 4.49Å; I171-V189 HydrophobicContact CG2-CG2 3.97Å; I171-F193 HydrophobicContact CG1-CE1 4.08Å; I171-F193 HydrophobicContact CG1-CZ 3.75Å; I171-P201 PolarHBondContact N-O 3.17Å; I171-I202 CarbonylContact O-C 3.6Å; I171-I202 WeakPolarHBondContact O-CA 3.3Å; I171-M203 PolarHBondContact O-N 3.12Å
172	L	98.7	Very high	97.7	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	113.3	175.6	172.1	59.3	0	0	0	109.2	E73 A123 G124 V125 L126 L170 E174 M203	E73-L172 HydrophobicContact CG-CD2 4.05Å; A123-L172 HydrophobicContact CB-CB 4.2Å; G124-L172 PolarHBondContact O-N 3.45Å; V125-L172 WeakPolarHBondContact CA-O 3.38Å; V125-L172 HydrophobicContact CG2-CD2 4.39Å; L126-L172 PolarHBondContact N-O 2.93Å; L170-L172 HydrophobicContact CD1-CB 4.29Å; L172-E174 HydrophobicContact CD1-CB 3.99Å; L172-E174 HydrophobicContact CD2-CB 4.18Å; L172-E174 HydrophobicContact CD2-CG 4.26Å; L172-E174 HydrophobicContact CG-CB 3.81Å; L172-E174 HydrophobicContact CG-CG 4.07Å; L172-M203 WeakPolarHBondContact CA-O 3.32Å; L172-M203 HydrophobicContact CB-CB 4.41Å; L172-M203 HydrophobicContact CD1-CB 3.6Å; L172-M203 HydrophobicContact CD1-CE 4.27Å
173	I	98.7	Very high	97.7	Very high	2 Å²	2	15.7 Å²	15.7	1%	0.01	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	105.3	169.2	-57.1	166.2	0	0	0	106.4	L126 I171 V176 A182 A185 V186 V189 I202 M203 I204 S205	L126-I173 HydrophobicContact CB-CG1 4.47Å; L126-I173 HydrophobicContact CD1-CG1 4.35Å; L126-I173 WeakPolarHBondContact O-CA 3.23Å; I171-I173 HydrophobicContact CG2-CG1 4.49Å; I173-V176 HydrophobicContact CG2-CG2 3.83Å; I173-A182 HydrophobicContact CG2-CB 4.42Å; I173-A185 HydrophobicContact CD1-CB 3.76Å; I173-A185 HydrophobicContact CG1-CB 4.13Å; I173-A185 HydrophobicContact CG2-CB 4.01Å; I173-V186 HydrophobicContact CD1-CG2 3.85Å; I173-V189 HydrophobicContact CD1-CG2 4.49Å; I173-I202 HydrophobicContact CD1-CG2 4.2Å; I173-M203 PolarHBondContact N-O 3.05Å; I173-I204 CarbonylContact O-C 3.58Å; I173-I204 VanDerWaalsContact O-CA 3.3Å; I173-I204 WeakPolarHBondContact O-CA 3.36Å; I173-S205 PolarHBondContact O-N 2.73Å
174	E	97.2	Very high	97.7	Very high	7 Å²	7	15.7 Å²	15.7	3%	0.033	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	169.2	-169.9	60.6	149.6	151.3	0	0	114	F77 V125 L126 L172 V176 S205 N239 H265	F77-E174 HydrophobicContact CD2-CG 4.39Å; F77-E174 HydrophobicContact CE2-CG 4.25Å; V125-E174 HydrophobicContact CG1-CG 3.88Å; V125-E174 WeakPolarHBondContact CG1-OE1 3.41Å; L126-E174 PolarHBondContact O-N 3.13Å; L172-E174 HydrophobicContact CD1-CB 3.99Å; L172-E174 HydrophobicContact CD2-CB 4.18Å; L172-E174 HydrophobicContact CD2-CG 4.26Å; L172-E174 HydrophobicContact CG-CB 3.81Å; L172-E174 HydrophobicContact CG-CG 4.07Å; E174-V176 PolarHBondContact O-N 3.35Å; E174-S205 CarbonylContact C-O 3.59Å; E174-S205 WeakPolarHBondContact CA-O 3.29Å; E174-N239 PolarHBondContact OE2-ND2 3.28Å; E174-H265 IonicContact OE2-NE2 3.51Å
175	T	94.9	Very high	97.7	Very high	20 Å²	20	14.4 Å²	14.4	12%	0.123	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	54.5	37.8	-177	-50.5	0	0	0	0	111.3	F77 P128 F177 S205 T207 N239	F77-T175 HydrophobicContact CE2-CG2 4.45Å; F77-T175 WeakPolarHBondContact CE2-OG1 3.48Å; F77-T175 HydrophobicContact CZ-CG2 4.02Å; P128-T175 WeakPolarHBondContact CB-O 3.37Å; P128-T175 HydrophobicContact CG-CG2 4.4Å; P128-T175 WeakPolarHBondContact CG-O 3.42Å; T175-F177 WeakPolarHBondContact O-CD1 3.3Å; T175-F177 PolarHBondContact O-N 3.4Å; T175-S205 PolarHBondContact N-O 3.28Å; T175-S205 VanDerWaalsContact N-O 3.14Å; T175-T207 WeakPolarHBondContact CA-OG1 3.29Å; T175-N239 PolarHBondContact N-OD1 2.52Å; T175-N239 PolarHBondContact OG1-ND2 2.69Å
176	V	96.7	Very high	97.7	Very high	4 Å²	4	9.2 Å²	9.2	2%	0.024	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	104.2	-180	180	0	0	0	0	108.7	I173 E174 D178 A182 S205 G206 T207 F224	I173-V176 HydrophobicContact CG2-CG2 3.83Å; E174-V176 PolarHBondContact O-N 3.35Å; V176-D178 WeakPolarHBondContact CG1-O 3.25Å; V176-A182 HydrophobicContact CB-CB 4.29Å; V176-A182 HydrophobicContact CG1-CB 3.49Å; V176-A182 VanDerWaalsContact CG1-CB 3.49Å; V176-A182 HydrophobicContact CG2-CB 3.79Å; V176-S205 WeakPolarHBondContact CG2-O 3.48Å; V176-S205 PolarHBondContact N-O 3.43Å; V176-G206 WeakPolarHBondContact O-CA 3.49Å; V176-T207 PolarHBondContact O-N 2.95Å; V176-F224 HydrophobicContact CB-CE2 4.11Å; V176-F224 HydrophobicContact CB-CZ 4.32Å; V176-F224 HydrophobicContact CG1-CE2 3.75Å; V176-F224 HydrophobicContact CG1-CZ 4.44Å
177	F	93.2	Very high	97.7	Very high	42 Å²	42	10 Å²	10	18%	0.184	6%	0.058	C	C	.	.	S	Bend	trans	-101.3	-16.4	170.2	60.6	-113.8	0	0	0	112.5	P128 T132 T175 L216 S217	P128-F177 HydrophobicContact CB-CD1 3.86Å; P128-F177 HydrophobicContact CB-CE1 3.38Å; P128-F177 HydrophobicContact CB-CE2 4.41Å; P128-F177 HydrophobicContact CB-CZ 3.68Å; P128-F177 HydrophobicContact CG-CD1 3.81Å; P128-F177 HydrophobicContact CG-CE1 3.23Å; P128-F177 HydrophobicContact CG-CZ 3.94Å; T132-F177 HydrophobicContact CG2-CD2 4.42Å; T132-F177 HydrophobicContact CG2-CE2 3.65Å; T175-F177 WeakPolarHBondContact O-CD1 3.3Å; T175-F177 PolarHBondContact O-N 3.4Å; F177-L216 HydrophobicContact CB-CB 3.75Å; F177-L216 HydrophobicContact CB-CD2 4.45Å; F177-L216 HydrophobicContact CD2-CB 4.35Å; F177-L216 HydrophobicContact CD2-CD2 3.89Å; F177-L216 HydrophobicContact CE2-CD2 4.48Å; F177-L216 HydrophobicContact CG-CB 4.38Å; F177-L216 HydrophobicContact CG-CD2 4.25Å; F177-L216 PolarHBondContact O-N 3.24Å; F177-S217 WeakPolarHBondContact O-CB 3.29Å; F177-S217 PolarHBondContact O-N 2.83Å; F177-S217 PolarHBondContact O-OG 3.12Å
178	D	95.3	Very high	97.7	Very high	2 Å²	2	8.7 Å²	8.7	1%	0.011	5%	0.045	C	C	.	.			trans	-124.2	110.8	174.4	-177.7	-12.4	0	0	0	109.7	T132 A133 S134 V176 L180 N181 A182	T132-D178 WeakPolarHBondContact CA-OD2 3.48Å; A133-D178 PolarHBondContact N-OD2 2.82Å; S134-D178 VanDerWaalsContact CB-OD1 3.29Å; S134-D178 WeakPolarHBondContact CB-OD1 3.46Å; S134-D178 PolarHBondContact N-OD2 2.93Å; S134-D178 PolarHBondContact OG-OD1 2.98Å; V176-D178 WeakPolarHBondContact CG1-O 3.25Å; D178-L180 VanDerWaalsContact C-N 3.28Å; D178-L180 PolarHBondContact O-N 3.44Å; D178-L180 WeakPolarHBondContact OD1-CB 3.41Å; D178-L180 PolarHBondContact OD1-N 3.15Å; D178-N181 HydrophobicContact CB-CB 4.3Å; D178-N181 WeakPolarHBondContact O-CB 3Å; D178-N181 PolarHBondContact O-N 3.45Å; D178-N181 PolarHBondContact OD2-OD1 2.93Å; D178-A182 PolarHBondContact O-N 3.41Å
179	T	97.5	Very high	97.7	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-66.4	-27.8	-176.5	-53.9	0	0	0	0	112.9	N181 A182 K183 Q219 F224 L228	T179-N181 VanDerWaalsContact C-N 3.35Å; T179-A182 PolarHBondContact O-N 2.94Å; T179-K183 PolarHBondContact O-N 3.07Å; T179-Q219 VanDerWaalsContact CG2-OE1 3.23Å; T179-Q219 PolarHBondContact OG1-OE1 3.45Å; T179-F224 HydrophobicContact CG2-CD2 4.28Å; T179-L228 HydrophobicContact CG2-CD1 4.11Å; T179-L228 HydrophobicContact CG2-CD2 4.45Å; T179-L228 HydrophobicContact CG2-CG 4.01Å
180	L	97.9	Very high	97.7	Very high	2 Å²	2	8.1 Å²	8.1	1%	0.01	4%	0.039	C	C	.	.	H	α-helix	trans	-69.4	-35.3	177.1	-173.1	55.2	0	0	0	111.5	A133 S134 F149 D178 A182 K183 A184 Q442	A133-L180 HydrophobicContact CB-CB 4.16Å; A133-L180 HydrophobicContact CB-CD2 3.7Å; A133-L180 HydrophobicContact CB-CG 3.81Å; S134-L180 WeakPolarHBondContact OG-CB 3.47Å; F149-L180 HydrophobicContact CD2-CD1 3.75Å; F149-L180 HydrophobicContact CD2-CG 4.26Å; F149-L180 HydrophobicContact CE2-CD1 3.95Å; D178-L180 VanDerWaalsContact C-N 3.28Å; D178-L180 PolarHBondContact O-N 3.44Å; D178-L180 WeakPolarHBondContact OD1-CB 3.41Å; D178-L180 PolarHBondContact OD1-N 3.15Å; L180-A182 VanDerWaalsContact C-N 3.33Å; L180-K183 HydrophobicContact CD1-CD 4.48Å; L180-K183 PolarHBondContact O-N 3.25Å; L180-A184 PolarHBondContact O-N 2.93Å; L180-Q442 HydrophobicContact CB-CB 4.03Å
181	N	98.1	Very high	97.7	Very high	2 Å²	2	9.1 Å²	9.1	1%	0.011	4%	0.044	C	C	.	.	H	α-helix	trans	-61.5	-43.8	170.1	-72.6	23.4	0	0	0	110.9	P128 R131 A133 L152 D178 T179 K183 A184 A185	P128-N181 PolarHBondContact O-ND2 2.99Å; R131-N181 PolarHBondContact O-ND2 2.84Å; A133-N181 VanDerWaalsContact CB-OD1 3.26Å; A133-N181 WeakPolarHBondContact CB-OD1 3.25Å; A133-N181 PolarHBondContact N-OD1 3.05Å; L152-N181 HydrophobicContact CD1-CB 4.39Å; L152-N181 WeakPolarHBondContact CD1-OD1 3.4Å; D178-N181 HydrophobicContact CB-CB 4.3Å; D178-N181 WeakPolarHBondContact O-CB 3Å; D178-N181 PolarHBondContact O-N 3.45Å; D178-N181 PolarHBondContact OD2-OD1 2.93Å; T179-N181 VanDerWaalsContact C-N 3.35Å; N181-K183 PolarHBondContact O-N 3.42Å; N181-A184 WeakPolarHBondContact O-CB 3.4Å; N181-A184 PolarHBondContact O-N 2.92Å; N181-A185 PolarHBondContact O-N 2.8Å
182	A	98.2	Very high	97.7	Very high	2 Å²	2	9.8 Å²	9.8	2%	0.017	5%	0.048	C	C	.	.	H	α-helix	trans	-65.6	-36.7	177.3	0	0	0	0	0	113	I173 V176 D178 T179 L180 A184 A185 V186 L228	I173-A182 HydrophobicContact CG2-CB 4.42Å; V176-A182 HydrophobicContact CB-CB 4.29Å; V176-A182 HydrophobicContact CG1-CB 3.49Å; V176-A182 VanDerWaalsContact CG1-CB 3.49Å; V176-A182 HydrophobicContact CG2-CB 3.79Å; D178-A182 PolarHBondContact O-N 3.41Å; T179-A182 PolarHBondContact O-N 2.94Å; L180-A182 VanDerWaalsContact C-N 3.33Å; A182-A184 VanDerWaalsContact C-N 3.33Å; A182-A185 PolarHBondContact O-N 3.29Å; A182-V186 WeakPolarHBondContact O-CG2 3.43Å; A182-V186 PolarHBondContact O-N 3.47Å; A182-L228 HydrophobicContact CB-CD1 3.77Å; A182-L228 HydrophobicContact CB-CD2 3.99Å
183	K	98.6	Very high	97.6	Very high	10 Å²	10	10.4 Å²	10.4	4%	0.043	5%	0.05	C	C	.	.	H	α-helix	trans	-60.9	-42.9	170.5	-76.9	-175.2	173.7	-177.4	0	111.6	F149 T179 L180 N181 A185 V186 F187 L228 I441 Q442 G443	F149-K183 HydrophobicContact CE2-CB 4.09Å; T179-K183 PolarHBondContact O-N 3.07Å; L180-K183 HydrophobicContact CD1-CD 4.48Å; L180-K183 PolarHBondContact O-N 3.25Å; N181-K183 PolarHBondContact O-N 3.42Å; K183-A185 VanDerWaalsContact C-N 3.33Å; K183-A185 PolarHBondContact O-N 2.95Å; K183-V186 PolarHBondContact O-N 3.43Å; K183-F187 WeakPolarHBondContact O-CB 3.17Å; K183-F187 PolarHBondContact O-N 2.91Å; K183-L228 HydrophobicContact CG-CD2 3.77Å; K183-I441 PolarHBondContact NZ-O 2.78Å; K183-Q442 WeakPolarHBondContact CE-O 3.31Å; K183-Q442 PolarHBondContact NZ-O 3.28Å; K183-G443 PolarHBondContact NZ-O 3.03Å
184	A	98.6	Very high	97.6	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-61.6	-40.9	174.5	0	0	0	0	0	111.8	F149 L152 V153 L180 N181 A182 F187 A188	F149-A184 HydrophobicContact CD1-CB 4.45Å; F149-A184 HydrophobicContact CD2-CB 3.84Å; F149-A184 HydrophobicContact CE1-CB 4.3Å; F149-A184 HydrophobicContact CE2-CB 3.66Å; F149-A184 HydrophobicContact CG-CB 4.24Å; F149-A184 VanDerWaalsContact CZ-CA 3.46Å; F149-A184 HydrophobicContact CZ-CB 3.91Å; L152-A184 HydrophobicContact CB-CB 3.66Å; L152-A184 HydrophobicContact CD1-CB 4.26Å; V153-A184 HydrophobicContact CG2-CB 4.04Å; L180-A184 PolarHBondContact O-N 2.93Å; N181-A184 WeakPolarHBondContact O-CB 3.4Å; N181-A184 PolarHBondContact O-N 2.92Å; A182-A184 VanDerWaalsContact C-N 3.33Å; A184-F187 PolarHBondContact O-N 2.71Å; A184-A188 VanDerWaalsContact O-CB 3.26Å; A184-A188 WeakPolarHBondContact O-CB 3.37Å; A184-A188 PolarHBondContact O-N 3.34Å
185	A	98.6	Very high	97.6	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-63.9	-45.8	174.8	0	0	0	0	0	112.2	Y156 I173 N181 A182 K183 F187 A188 V189	Y156-A185 HydrophobicContact CD1-CB 4.29Å; Y156-A185 HydrophobicContact CD2-CB 3.72Å; Y156-A185 HydrophobicContact CE1-CB 4.31Å; Y156-A185 HydrophobicContact CE2-CB 3.74Å; Y156-A185 HydrophobicContact CG-CB 4.01Å; I173-A185 HydrophobicContact CD1-CB 3.76Å; I173-A185 HydrophobicContact CG1-CB 4.13Å; I173-A185 HydrophobicContact CG2-CB 4.01Å; N181-A185 PolarHBondContact O-N 2.8Å; A182-A185 PolarHBondContact O-N 3.29Å; K183-A185 VanDerWaalsContact C-N 3.33Å; K183-A185 PolarHBondContact O-N 2.95Å; A185-F187 VanDerWaalsContact C-N 3.35Å; A185-F187 PolarHBondContact O-N 3.39Å; A185-A188 WeakPolarHBondContact O-CB 3.47Å; A185-A188 PolarHBondContact O-N 3.1Å; A185-V189 WeakPolarHBondContact O-CB 3.43Å; A185-V189 VanDerWaalsContact O-CG2 3.24Å; A185-V189 WeakPolarHBondContact O-CG2 3.42Å; A185-V189 PolarHBondContact O-N 3.36Å
186	V	98.5	Very high	97.7	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.006	11%	0.113	C	C	.	.	H	α-helix	trans	-60.6	-45	175.8	169.6	0	0	0	0	111	I173 A182 K183 A188 V189 K190 I204 L228 A231	I173-V186 HydrophobicContact CD1-CG2 3.85Å; A182-V186 WeakPolarHBondContact O-CG2 3.43Å; A182-V186 PolarHBondContact O-N 3.47Å; K183-V186 PolarHBondContact O-N 3.43Å; V186-A188 VanDerWaalsContact C-N 3.34Å; V186-A188 PolarHBondContact O-N 3.09Å; V186-V189 PolarHBondContact O-N 3.19Å; V186-K190 HydrophobicContact CG1-CD 4.4Å; V186-K190 WeakPolarHBondContact O-CB 3.48Å; V186-K190 PolarHBondContact O-N 3.1Å; V186-I204 HydrophobicContact CG2-CD1 3.91Å; V186-L228 HydrophobicContact CG2-CD2 4.25Å; V186-A231 HydrophobicContact CB-CB 4.45Å; V186-A231 HydrophobicContact CG1-CB 3.74Å; V186-A231 HydrophobicContact CG2-CB 3.76Å
187	F	98.6	Very high	97.8	Very high	24 Å²	24	24.4 Å²	24.4	11%	0.105	15%	0.146	C	C	.	.	H	α-helix	trans	-59.2	-46.6	176	-171.3	-73.8	0	0	0	111	F149 V153 K183 A184 A185 T191 R468 Y469	F149-F187 HydrophobicContact CE1-CB 4.31Å; F149-F187 HydrophobicContact CE1-CD2 4.38Å; F149-F187 HydrophobicContact CE1-CG 4.21Å; F149-F187 HydrophobicContact CZ-CB 4.14Å; F149-F187 HydrophobicContact CZ-CG 4.43Å; V153-F187 HydrophobicContact CG1-CD1 3.96Å; V153-F187 HydrophobicContact CG1-CE1 4.37Å; V153-F187 HydrophobicContact CG2-CB 4.37Å; V153-F187 HydrophobicContact CG2-CD1 3.96Å; V153-F187 HydrophobicContact CG2-CG 4.4Å; K183-F187 WeakPolarHBondContact O-CB 3.17Å; K183-F187 PolarHBondContact O-N 2.91Å; A184-F187 PolarHBondContact O-N 2.71Å; A185-F187 VanDerWaalsContact C-N 3.35Å; A185-F187 PolarHBondContact O-N 3.39Å; F187-T191 VanDerWaalsContact O-CB 3.25Å; F187-T191 WeakPolarHBondContact O-CB 3.29Å; F187-T191 PolarHBondContact O-N 3.27Å; F187-T191 PolarHBondContact O-OG1 3.26Å; F187-R468 HydrophobicContact CD2-CB 4.08Å; F187-R468 HydrophobicContact CD2-CG 3.44Å; F187-R468 VanDerWaalsContact CD2-CG 3.44Å; F187-R468 HydrophobicContact CE2-CB 4.02Å; F187-R468 VanDerWaalsContact CE2-CD 3.43Å; F187-R468 HydrophobicContact CE2-CG 3.64Å; F187-R468 HydrophobicContact CG-CG 4.01Å; F187-R468 HydrophobicContact CZ-CG 4.35Å; F187-Y469 HydrophobicContact CD2-CD1 4.01Å; F187-Y469 AromaticContact CD2-CE1 3.88Å; F187-Y469 HydrophobicContact CD2-CE1 3.88Å; F187-Y469 HydrophobicContact CE2-CD1 4.14Å; F187-Y469 HydrophobicContact CE2-CD2 4.41Å; F187-Y469 AromaticContact CE2-CE1 3.72Å; F187-Y469 HydrophobicContact CE2-CE1 3.72Å; F187-Y469 HydrophobicContact CE2-CE2 4.03Å; F187-Y469 HydrophobicContact CE2-CG 4.44Å; F187-Y469 AromaticContact CE2-CZ 3.65Å
188	A	98.6	Very high	98	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-61.2	-51.7	178.1	0	0	0	0	0	112.3	V153 R157 A184 A185 V186 K190 T191 E192	V153-A188 HydrophobicContact CG1-CB 4.21Å; R157-A188 HydrophobicContact CG-CB 3.64Å; A184-A188 VanDerWaalsContact O-CB 3.26Å; A184-A188 WeakPolarHBondContact O-CB 3.37Å; A184-A188 PolarHBondContact O-N 3.34Å; A185-A188 WeakPolarHBondContact O-CB 3.47Å; A185-A188 PolarHBondContact O-N 3.1Å; V186-A188 VanDerWaalsContact C-N 3.34Å; V186-A188 PolarHBondContact O-N 3.09Å; A188-K190 PolarHBondContact O-N 3.22Å; A188-T191 PolarHBondContact O-N 2.61Å; A188-E192 WeakPolarHBondContact O-CB 3.44Å; A188-E192 PolarHBondContact O-N 3.42Å
189	V	98.7	Very high	97.9	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-59.8	-50.1	-178.3	170.8	0	0	0	0	110.7	L126 T160 I171 I173 A185 V186 T191 E192 F193 I202	L126-V189 HydrophobicContact CD1-CG2 3.7Å; T160-V189 HydrophobicContact CG2-CG1 4.49Å; T160-V189 HydrophobicContact CG2-CG2 4.21Å; I171-V189 HydrophobicContact CG1-CG1 4.49Å; I171-V189 HydrophobicContact CG2-CG2 3.97Å; I173-V189 HydrophobicContact CD1-CG2 4.49Å; A185-V189 WeakPolarHBondContact O-CB 3.43Å; A185-V189 VanDerWaalsContact O-CG2 3.24Å; A185-V189 WeakPolarHBondContact O-CG2 3.42Å; A185-V189 PolarHBondContact O-N 3.36Å; V186-V189 PolarHBondContact O-N 3.19Å; V189-T191 VanDerWaalsContact C-N 3.31Å; V189-T191 PolarHBondContact O-N 2.96Å; V189-E192 PolarHBondContact O-N 2.99Å; V189-F193 HydrophobicContact CG1-CD1 4.3Å; V189-F193 HydrophobicContact CG1-CD2 4.02Å; V189-F193 HydrophobicContact CG1-CE1 3.87Å; V189-F193 HydrophobicContact CG1-CE2 3.54Å; V189-F193 HydrophobicContact CG1-CG 4.37Å; V189-F193 HydrophobicContact CG1-CZ 3.45Å; V189-F193 VanDerWaalsContact CG1-CZ 3.45Å; V189-F193 WeakPolarHBondContact O-CB 3.33Å; V189-F193 VanDerWaalsContact O-CG 3.3Å; V189-F193 WeakPolarHBondContact O-CG 3.42Å; V189-F193 PolarHBondContact O-N 2.85Å; V189-I202 HydrophobicContact CB-CD1 4.48Å; V189-I202 HydrophobicContact CG1-CD1 3.68Å; V189-I202 HydrophobicContact CG1-CG1 4.01Å
190	K	97.8	Very high	98	Very high	52 Å²	52	35.7 Å²	35.7	23%	0.226	20%	0.204	C	C	.	.	H	α-helix	trans	-62.4	-39	178.3	-73	-168.4	170.3	-167.8	0	112.2	V186 A188 E194 I202 H230 A231 E232	V186-K190 HydrophobicContact CG1-CD 4.4Å; V186-K190 WeakPolarHBondContact O-CB 3.48Å; V186-K190 PolarHBondContact O-N 3.1Å; A188-K190 PolarHBondContact O-N 3.22Å; K190-E194 PolarHBondContact O-N 3.29Å; K190-E194 VanDerWaalsContact O-N 3.14Å; K190-I202 HydrophobicContact CG-CD1 4.47Å; K190-H230 PolarHBondContact NZ-O 3.26Å; K190-A231 WeakPolarHBondContact CE-O 3.25Å; K190-A231 PolarHBondContact NZ-O 2.9Å; K190-A231 VanDerWaalsContact NZ-O 3.16Å; K190-E232 IonicContact NZ-OE1 2.76Å
191	T	98.1	Very high	98	Very high	21 Å²	21	37.7 Å²	37.7	13%	0.129	22%	0.217	C	C	.	.	H	α-helix	trans	-65.6	-41.2	177	-59.4	0	0	0	0	111.6	F187 A188 V189 A195 R468	F187-T191 VanDerWaalsContact O-CB 3.25Å; F187-T191 WeakPolarHBondContact O-CB 3.29Å; F187-T191 PolarHBondContact O-N 3.27Å; F187-T191 PolarHBondContact O-OG1 3.26Å; A188-T191 PolarHBondContact O-N 2.61Å; V189-T191 VanDerWaalsContact C-N 3.31Å; V189-T191 PolarHBondContact O-N 2.96Å; T191-A195 PolarHBondContact O-N 2.68Å; T191-A195 VanDerWaalsContact O-N 3.08Å; T191-R468 PolarHBondContact OG1-NH1 3.15Å
192	E	98.4	Very high	98	Very high	14 Å²	14	38 Å²	38	7%	0.065	22%	0.219	C	C	.	.	H	α-helix	trans	-74.4	-35.9	-179.5	-160.7	59.1	-149.8	0	0	112.2	R157 T160 K161 A188 V189 E194 A195 L196	R157-E192 HydrophobicContact CG-CB 4.47Å; R157-E192 IonicContact CZ-OE2 3.98Å; R157-E192 VanDerWaalsContact CZ-OE2 3.23Å; R157-E192 IonicContact NE-OE2 3.21Å; R157-E192 PolarHBondContact NE-OE2 3.44Å; R157-E192 IonicContact NH2-OE2 3.97Å; R157-E192 PolarHBondContact NH2-OE2 3.45Å; T160-E192 HydrophobicContact CG2-CB 4.2Å; T160-E192 HydrophobicContact CG2-CG 4.41Å; K161-E192 HydrophobicContact CB-CG 3.95Å; A188-E192 WeakPolarHBondContact O-CB 3.44Å; A188-E192 PolarHBondContact O-N 3.42Å; V189-E192 PolarHBondContact O-N 2.99Å; E192-E194 PolarHBondContact O-N 2.94Å; E192-A195 PolarHBondContact O-N 3.06Å; E192-L196 HydrophobicContact CG-CD1 4.06Å; E192-L196 HydrophobicContact CG-CG 4.38Å; E192-L196 WeakPolarHBondContact O-CB 3.29Å; E192-L196 VanDerWaalsContact O-CG 3.32Å; E192-L196 WeakPolarHBondContact O-CG 3.47Å; E192-L196 PolarHBondContact O-N 2.91Å
193	F	98.3	Very high	98	Very high	13 Å²	13	38 Å²	38	6%	0.057	22%	0.218	C	C	.	.	H	α-helix	trans	-57.4	-46.8	170.8	-78.9	4	0	0	0	112.2	T160 V164 I171 V189 A195 L196 G197 V198 L200 I202	T160-F193 HydrophobicContact CG2-CD1 4.45Å; T160-F193 HydrophobicContact CG2-CE1 4.07Å; V164-F193 HydrophobicContact CG2-CE1 4.02Å; I171-F193 HydrophobicContact CG1-CE1 4.08Å; I171-F193 HydrophobicContact CG1-CZ 3.75Å; V189-F193 HydrophobicContact CG1-CD1 4.3Å; V189-F193 HydrophobicContact CG1-CD2 4.02Å; V189-F193 HydrophobicContact CG1-CE1 3.87Å; V189-F193 HydrophobicContact CG1-CE2 3.54Å; V189-F193 HydrophobicContact CG1-CG 4.37Å; V189-F193 HydrophobicContact CG1-CZ 3.45Å; V189-F193 VanDerWaalsContact CG1-CZ 3.45Å; V189-F193 WeakPolarHBondContact O-CB 3.33Å; V189-F193 VanDerWaalsContact O-CG 3.3Å; V189-F193 WeakPolarHBondContact O-CG 3.42Å; V189-F193 PolarHBondContact O-N 2.85Å; F193-A195 VanDerWaalsContact C-N 3.35Å; F193-A195 PolarHBondContact O-N 3.34Å; F193-L196 PolarHBondContact O-N 3.46Å; F193-G197 PolarHBondContact O-N 2.89Å; F193-V198 CarbonylContact C-O 3.51Å; F193-V198 VanDerWaalsContact CB-O 3.25Å; F193-V198 WeakPolarHBondContact CB-O 3.39Å; F193-V198 HydrophobicContact CD1-CG2 4.01Å; F193-V198 HydrophobicContact CG-CG2 4.45Å; F193-V198 PolarHBondContact O-N 2.95Å; F193-L200 HydrophobicContact CE1-CB 4.29Å; F193-L200 HydrophobicContact CE1-CG 4.4Å; F193-L200 HydrophobicContact CE2-CB 4.14Å; F193-L200 WeakPolarHBondContact CE2-O 3.14Å; F193-L200 HydrophobicContact CZ-CB 3.67Å; F193-L200 HydrophobicContact CZ-CG 4.26Å; F193-I202 HydrophobicContact CE2-CD1 4.3Å; F193-I202 HydrophobicContact CE2-CG1 4.11Å
194	E	96.9	Very high	98	Very high	132 Å²	132	37.5 Å²	37.5	62%	0.617	22%	0.216	S	C	*	.	H	α-helix	trans	-61	-43.4	174.5	-175.6	177	-162.6	0	0	111.8	K190 E192 L196 G197 R468	K190-E194 PolarHBondContact O-N 3.29Å; K190-E194 VanDerWaalsContact O-N 3.14Å; E192-E194 PolarHBondContact O-N 2.94Å; E194-L196 VanDerWaalsContact C-N 3.35Å; E194-L196 PolarHBondContact O-N 2.75Å; E194-G197 PolarHBondContact O-N 3.28Å; E194-R468 IonicContact OE2-CZ 2.74Å; E194-R468 IonicContact OE2-NH1 3.71Å; E194-R468 IonicContact OE2-NH2 3.16Å; E194-R468 PolarHBondContact OE2-NH2 3.18Å
195	A	98	Very high	98	Very high	68 Å²	68	37.5 Å²	37.5	56%	0.562	22%	0.216	S	C	*	.	H	α-helix	trans	-65.4	-35.5	179.1	0	0	0	0	0	113.3	T191 E192 F193	T191-A195 PolarHBondContact O-N 2.68Å; T191-A195 VanDerWaalsContact O-N 3.08Å; E192-A195 PolarHBondContact O-N 3.06Å; F193-A195 VanDerWaalsContact C-N 3.35Å; F193-A195 PolarHBondContact O-N 3.34Å
196	L	97.6	Very high	98	Very high	58 Å²	58	37.5 Å²	37.5	30%	0.304	22%	0.216	S	C	.	.	H	α-helix	trans	-85.3	-14.3	178.3	-67.9	175.5	0	0	0	113.2	K161 V164 E192 F193 E194 V198	K161-L196 HydrophobicContact CG-CD1 4.45Å; K161-L196 HydrophobicContact CG-CD2 4.45Å; V164-L196 HydrophobicContact CB-CD1 4.17Å; V164-L196 HydrophobicContact CG1-CD1 3.98Å; V164-L196 HydrophobicContact CG2-CD1 4.49Å; E192-L196 HydrophobicContact CG-CD1 4.06Å; E192-L196 HydrophobicContact CG-CG 4.38Å; E192-L196 WeakPolarHBondContact O-CB 3.29Å; E192-L196 VanDerWaalsContact O-CG 3.32Å; E192-L196 WeakPolarHBondContact O-CG 3.47Å; E192-L196 PolarHBondContact O-N 2.91Å; F193-L196 PolarHBondContact O-N 3.46Å; E194-L196 VanDerWaalsContact C-N 3.35Å; E194-L196 PolarHBondContact O-N 2.75Å; L196-V198 VanDerWaalsContact C-N 3.35Å; L196-V198 HydrophobicContact CB-CG1 4.38Å; L196-V198 HydrophobicContact CB-CG2 3.91Å; L196-V198 HydrophobicContact CD1-CG2 4.48Å
197	G	97.7	Very high	97.8	Very high	70 Å²	70	37.9 Å²	37.9	72%	0.722	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	68	33.4	-174.7	0	0	0	0	0	113.2	F193 E194	F193-G197 PolarHBondContact O-N 2.89Å; E194-G197 PolarHBondContact O-N 3.28Å
198	V	97.2	Very high	97.4	Very high	56 Å²	56	36.8 Å²	36.8	34%	0.339	21%	0.214	S	C	.	.			trans	-124.4	160.8	179.2	-57	0	0	0	0	110.6	V164 F193 L196	V164-V198 HydrophobicContact CG1-CG2 4.22Å; F193-V198 CarbonylContact C-O 3.51Å; F193-V198 VanDerWaalsContact CB-O 3.25Å; F193-V198 WeakPolarHBondContact CB-O 3.39Å; F193-V198 HydrophobicContact CD1-CG2 4.01Å; F193-V198 HydrophobicContact CG-CG2 4.45Å; F193-V198 PolarHBondContact O-N 2.95Å; L196-V198 VanDerWaalsContact C-N 3.35Å; L196-V198 HydrophobicContact CB-CG1 4.38Å; L196-V198 HydrophobicContact CB-CG2 3.91Å; L196-V198 HydrophobicContact CD1-CG2 4.48Å
199	E	95	Very high	96.4	Very high	182 Å²	182	39.3 Å²	39.3	85%	0.85	23%	0.229	S	C	*	.			trans	-141.2	104.5	172.8	-171.6	-178.5	173.9	0	0	108.7
200	L	97.9	Very high	95.2	Very high	42 Å²	42	43 Å²	43	22%	0.22	25%	0.249	C	C	.	.			trans	-102	153.9	175.4	-55.3	-177.3	0	0	0	110.4	V164 A168 F193	V164-L200 HydrophobicContact CG2-CD1 3.91Å; A168-L200 WeakPolarHBondContact O-CD1 3.34Å; F193-L200 HydrophobicContact CE1-CB 4.29Å; F193-L200 HydrophobicContact CE1-CG 4.4Å; F193-L200 HydrophobicContact CE2-CB 4.14Å; F193-L200 WeakPolarHBondContact CE2-O 3.14Å; F193-L200 HydrophobicContact CZ-CB 3.67Å; F193-L200 HydrophobicContact CZ-CG 4.26Å
201	P	98.1	Very high	94.1	Very high	44 Å²	44	44.2 Å²	44.2	29%	0.286	27%	0.269	S	S	.	.			trans	-61.1	141.1	172.4	-18.6	31.6	0	0	0	111.8	D169 L170 I171 L234	D169-P201 WeakPolarHBondContact O-CD 3.44Å; L170-P201 WeakPolarHBondContact CA-O 3.5Å; L170-P201 HydrophobicContact CB-CB 4.17Å; L170-P201 HydrophobicContact CB-CG 4.47Å; L170-P201 WeakPolarHBondContact CB-O 3.48Å; I171-P201 PolarHBondContact N-O 3.17Å; P201-L234 HydrophobicContact CB-CB 3.99Å; P201-L234 HydrophobicContact CB-CD2 3.85Å; P201-L234 HydrophobicContact CB-CG 4.43Å
202	I	98.6	Very high	93	Very high	10 Å²	10	46.7 Å²	46.7	5%	0.051	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	134.1	173	-57.3	174	0	0	0	108.6	I171 I173 V189 K190 F193 I204 A233 L234	I171-I202 CarbonylContact O-C 3.6Å; I171-I202 WeakPolarHBondContact O-CA 3.3Å; I173-I202 HydrophobicContact CD1-CG2 4.2Å; V189-I202 HydrophobicContact CB-CD1 4.48Å; V189-I202 HydrophobicContact CG1-CD1 3.68Å; V189-I202 HydrophobicContact CG1-CG1 4.01Å; K190-I202 HydrophobicContact CG-CD1 4.47Å; F193-I202 HydrophobicContact CE2-CD1 4.3Å; F193-I202 HydrophobicContact CE2-CG1 4.11Å; I202-I204 HydrophobicContact CG2-CG1 4.07Å; I202-A233 CarbonylContact O-C 3.59Å; I202-A233 WeakPolarHBondContact O-CA 3.3Å; I202-A233 WeakPolarHBondContact O-CB 3.33Å; I202-L234 WeakPolarHBondContact O-CB 3.44Å; I202-L234 PolarHBondContact O-N 2.65Å
203	M	98.7	Very high	92.2	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	141.7	167.4	-65.9	-179	40.6	0	0	108.6	M1 L170 I171 L172 I173 S235 T263 I299	M1-M203 HydrophobicContact CE-SD 4.17Å; L170-M203 HydrophobicContact CD1-CG 4.13Å; L170-M203 HydrophobicContact CD1-SD 3.76Å; L170-M203 HydrophobicContact CD2-SD 3.89Å; L170-M203 HydrophobicContact CG-SD 4.5Å; I171-M203 PolarHBondContact O-N 3.12Å; L172-M203 WeakPolarHBondContact CA-O 3.32Å; L172-M203 HydrophobicContact CB-CB 4.41Å; L172-M203 HydrophobicContact CD1-CB 3.6Å; L172-M203 HydrophobicContact CD1-CE 4.27Å; I173-M203 PolarHBondContact N-O 3.05Å; M203-S235 WeakPolarHBondContact CG-OG 3.4Å; M203-T263 HydrophobicContact CE-CG2 3.97Å; M203-I299 HydrophobicContact CE-CD1 3.94Å; M203-I299 HydrophobicContact SD-CD1 4.11Å
204	I	98.7	Very high	91.9	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	130.3	178	-61.2	-179.2	0	0	0	109.1	I173 V186 I202 F224 L228 A231 A233 S235 F236 G237	I173-I204 CarbonylContact O-C 3.58Å; I173-I204 VanDerWaalsContact O-CA 3.3Å; I173-I204 WeakPolarHBondContact O-CA 3.36Å; V186-I204 HydrophobicContact CG2-CD1 3.91Å; I202-I204 HydrophobicContact CG2-CG1 4.07Å; I204-F224 HydrophobicContact CG2-CZ 3.88Å; I204-L228 HydrophobicContact CD1-CB 4.34Å; I204-L228 HydrophobicContact CG2-CD1 4.02Å; I204-A231 HydrophobicContact CD1-CB 3.59Å; I204-A233 HydrophobicContact CD1-CB 4.19Å; I204-A233 HydrophobicContact CG1-CB 4.17Å; I204-S235 PolarHBondContact N-O 3.43Å; I204-F236 HydrophobicContact CB-CD1 4.15Å; I204-F236 HydrophobicContact CB-CE1 4.01Å; I204-F236 HydrophobicContact CB-CZ 4.26Å; I204-F236 HydrophobicContact CD1-CE1 4.18Å; I204-F236 HydrophobicContact CD1-CE2 4.26Å; I204-F236 HydrophobicContact CD1-CZ 3.74Å; I204-F236 HydrophobicContact CG1-CZ 4.49Å; I204-F236 HydrophobicContact CG2-CD1 4.13Å; I204-F236 HydrophobicContact CG2-CE1 3.84Å; I204-F236 HydrophobicContact CG2-CZ 4.44Å; I204-F236 CarbonylContact O-C 3.58Å; I204-F236 VanDerWaalsContact O-CA 3.28Å; I204-F236 WeakPolarHBondContact O-CA 3.47Å; I204-G237 PolarHBondContact O-N 3.07Å
205	S	98.3	Very high	91.6	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	120.8	174.7	-168.5	0	0	0	0	111.8	I173 E174 T175 V176 G237 N239 H265	I173-S205 PolarHBondContact O-N 2.73Å; E174-S205 CarbonylContact C-O 3.59Å; E174-S205 WeakPolarHBondContact CA-O 3.29Å; T175-S205 PolarHBondContact N-O 3.28Å; T175-S205 VanDerWaalsContact N-O 3.14Å; V176-S205 WeakPolarHBondContact CG2-O 3.48Å; V176-S205 PolarHBondContact N-O 3.43Å; S205-G237 WeakPolarHBondContact CA-O 3.4Å; S205-N239 WeakPolarHBondContact CB-OD1 3.35Å; S205-N239 WeakPolarHBondContact OG-CB 3.44Å; S205-N239 VanDerWaalsContact OG-CG 3.24Å; S205-N239 PolarHBondContact OG-N 2.9Å; S205-N239 PolarHBondContact OG-OD1 3.34Å; S205-H265 PolarHBondContact OG-CE1 3.3Å; S205-H265 VanDerWaalsContact OG-CE1 3.24Å
206	G	97.4	Very high	91.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	159.6	175.6	0	0	0	0	0	113	V176 G237 L238 N239	V176-G206 WeakPolarHBondContact O-CA 3.49Å; G206-G237 PolarHBondContact N-O 3.34Å; G206-L238 CarbonylContact O-C 3.29Å; G206-L238 WeakPolarHBondContact O-CA 3.28Å; G206-N239 PolarHBondContact O-N 3.33Å; G206-N239 PolarHBondContact O-OD1 3.45Å
207	T	95.4	Very high	90.7	Very high	9 Å²	9	40.1 Å²	40.1	6%	0.055	25%	0.245	C	C	.	.			trans	-118.8	116.5	175	-63.9	0	0	0	0	110.3	T175 V176 N239 C240 A241	T175-T207 WeakPolarHBondContact CA-OG1 3.29Å; V176-T207 PolarHBondContact O-N 2.95Å; T207-N239 WeakPolarHBondContact CB-O 3.3Å; T207-N239 WeakPolarHBondContact CG2-O 3.38Å; T207-N239 PolarHBondContact OG1-O 3.22Å; T207-N239 PolarHBondContact OG1-OD1 2.66Å; T207-C240 HydrophobicContact CG2-CB 4.31Å; T207-A241 HydrophobicContact CG2-CB 3.52Å
208	I	89.1	Confident	90.4	Very high	1 Å²	1	37 Å²	37	1%	0.005	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-84.4	119.7	170.5	-58.6	-54.1	0	0	0	107.9	D210 R214 T215 L238 A241 L242 Y250	I208-D210 WeakPolarHBondContact CG2-O 3.46Å; I208-R214 WeakPolarHBondContact CA-O 3.41Å; I208-T215 HydrophobicContact CD1-CG2 4.4Å; I208-L238 HydrophobicContact CD1-CD2 4.39Å; I208-L238 HydrophobicContact CG1-CD1 4.15Å; I208-L238 HydrophobicContact CG1-CD2 4.09Å; I208-A241 WeakPolarHBondContact O-CB 3.02Å; I208-L242 HydrophobicContact CB-CD1 4.11Å; I208-L242 HydrophobicContact CG2-CD1 3.74Å; I208-Y250 HydrophobicContact CG1-CD2 4.45Å; I208-Y250 HydrophobicContact CG1-CG 4.4Å; I208-Y250 HydrophobicContact CG2-CD2 4.1Å; I208-Y250 HydrophobicContact CG2-CE2 3.97Å
209	T	77.5	Confident	90.3	Very high	53 Å²	53	34.3 Å²	34.3	33%	0.325	20%	0.196	S	C	.	.			trans	-79	-29.7	-167.1	46.2	0	0	0	0	114.1	R214 L216	T209-R214 PolarHBondContact N-O 3.37Å; T209-R214 PolarHBondContact OG1-O 3.2Å; T209-L216 HydrophobicContact CG2-CB 3.82Å; T209-L216 HydrophobicContact CG2-CD1 4.31Å
210	D	74.6	Confident	90.4	Very high	77 Å²	77	27.1 Å²	27.1	41%	0.412	17%	0.165	S	C	.	.	S	Bend	trans	-156.1	-172.2	-176.2	63.1	37.6	0	0	0	113	I208 S212 G213	I208-D210 WeakPolarHBondContact CG2-O 3.46Å; D210-S212 PolarHBondContact O-N 2.8Å; D210-S212 WeakPolarHBondContact OD1-CA 3.36Å; D210-S212 WeakPolarHBondContact OD1-CB 3.35Å; D210-S212 PolarHBondContact OD1-N 3.41Å; D210-S212 PolarHBondContact OD1-OG 3.17Å; D210-G213 PolarHBondContact O-N 3.15Å
211	A	74	Confident	90.3	Very high	78 Å²	78	25.4 Å²	25.4	65%	0.645	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-6.9	-178.5	0	0	0	0	0	115.1	G213 Y250	A211-G213 PolarHBondContact O-N 3.19Å; A211-Y250 PolarHBondContact O-OH 3.07Å
212	S	74.9	Confident	90.3	Very high	73 Å²	73	24.6 Å²	24.6	51%	0.51	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-19.2	172.9	70.7	0	0	0	0	113	D210 R214	D210-S212 PolarHBondContact O-N 2.8Å; D210-S212 WeakPolarHBondContact OD1-CA 3.36Å; D210-S212 WeakPolarHBondContact OD1-CB 3.35Å; D210-S212 PolarHBondContact OD1-N 3.41Å; D210-S212 PolarHBondContact OD1-OG 3.17Å; S212-R214 PolarHBondContact OG-N 3.26Å
213	G	82.7	Confident	90.3	Very high	5 Å²	5	24.1 Å²	24.1	5%	0.052	15%	0.146	C	C	.	.			trans	79.5	23.3	-179.2	0	0	0	0	0	114.9	D210 A211 Y250	D210-G213 PolarHBondContact O-N 3.15Å; A211-G213 PolarHBondContact O-N 3.19Å; G213-Y250 VanDerWaalsContact CA-OH 3.23Å; G213-Y250 WeakPolarHBondContact CA-OH 3.49Å; G213-Y250 PolarHBondContact N-OH 3.2Å; G213-Y250 VanDerWaalsContact N-OH 3.15Å
214	R	91.2	Very high	90.2	Very high	54 Å²	54	24.1 Å²	24.1	20%	0.204	15%	0.146	C	C	.	.	B	Isolated β-bridge	trans	-115	154.6	-178.9	-64	175	-179.3	-90.3	2.6	112.9	I208 T209 S212 G218 Q219 T220 E339	I208-R214 WeakPolarHBondContact CA-O 3.41Å; T209-R214 PolarHBondContact N-O 3.37Å; T209-R214 PolarHBondContact OG1-O 3.2Å; S212-R214 PolarHBondContact OG-N 3.26Å; R214-G218 VanDerWaalsContact CD-O 3.31Å; R214-G218 WeakPolarHBondContact CD-O 3.1Å; R214-G218 PolarHBondContact NH1-O 3.22Å; R214-Q219 CarbonylContact C-O 3.36Å; R214-Q219 WeakPolarHBondContact CA-O 2.83Å; R214-T220 HydrophobicContact CG-CG2 4.23Å; R214-E339 IonicContact CZ-OE1 3.7Å; R214-E339 IonicContact NH2-OE1 2.7Å; R214-E339 PolarHBondContact NH2-OE1 2.88Å
215	T	90.5	Very high	90.2	Very high	4 Å²	4	24.4 Å²	24.4	3%	0.025	15%	0.147	C	C	.	.	B	Isolated β-bridge	trans	-68.4	167.7	164.5	62.4	0	0	0	0	110.4	I208 S217 G218 Q219 F224	I208-T215 HydrophobicContact CD1-CG2 4.4Å; T215-S217 PolarHBondContact O-N 2.86Å; T215-S217 PolarHBondContact OG1-OG 3.18Å; T215-S217 VanDerWaalsContact OG1-OG 3.13Å; T215-G218 PolarHBondContact O-N 3.07Å; T215-Q219 PolarHBondContact N-O 2.94Å; T215-Q219 PolarHBondContact OG1-N 2.89Å; T215-F224 HydrophobicContact CG2-CD2 4.38Å
216	L	89.2	Confident	90.2	Very high	82 Å²	82	24.4 Å²	24.4	43%	0.429	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-32.3	175.1	-174.4	63.2	0	0	0	112.3	I135 F177 T209 G218	I135-L216 HydrophobicContact CD1-CD2 4.49Å; I135-L216 HydrophobicContact CD1-CG 4.12Å; F177-L216 HydrophobicContact CB-CB 3.75Å; F177-L216 HydrophobicContact CB-CD2 4.45Å; F177-L216 HydrophobicContact CD2-CB 4.35Å; F177-L216 HydrophobicContact CD2-CD2 3.89Å; F177-L216 HydrophobicContact CE2-CD2 4.48Å; F177-L216 HydrophobicContact CG-CB 4.38Å; F177-L216 HydrophobicContact CG-CD2 4.25Å; F177-L216 PolarHBondContact O-N 3.24Å; T209-L216 HydrophobicContact CG2-CB 3.82Å; T209-L216 HydrophobicContact CG2-CD1 4.31Å; L216-G218 PolarHBondContact O-N 2.95Å
217	S	88.8	Confident	90.3	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.007	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	12.3	175	70.3	0	0	0	0	114.5	F177 T215 L338 Q442	F177-S217 WeakPolarHBondContact O-CB 3.29Å; F177-S217 PolarHBondContact O-N 2.83Å; F177-S217 PolarHBondContact O-OG 3.12Å; T215-S217 PolarHBondContact O-N 2.86Å; T215-S217 PolarHBondContact OG1-OG 3.18Å; T215-S217 VanDerWaalsContact OG1-OG 3.13Å; S217-L338 VanDerWaalsContact O-CD2 3.28Å; S217-L338 WeakPolarHBondContact O-CD2 3.39Å; S217-Q442 VanDerWaalsContact CB-OE1 3.23Å; S217-Q442 PolarHBondContact O-NE2 2.68Å; S217-Q442 PolarHBondContact O-OE1 2.84Å; S217-Q442 PolarHBondContact OG-OE1 3.17Å
218	G	90.6	Very high	90.4	Very high	4 Å²	4	24 Å²	24	4%	0.041	15%	0.145	C	C	.	.	S	Bend	trans	92.1	-6.9	169.1	0	0	0	0	0	117	R214 T215 L216 E960	R214-G218 VanDerWaalsContact CD-O 3.31Å; R214-G218 WeakPolarHBondContact CD-O 3.1Å; R214-G218 PolarHBondContact NH1-O 3.22Å; T215-G218 PolarHBondContact O-N 3.07Å; L216-G218 PolarHBondContact O-N 2.95Å; G218-E960 WeakPolarHBondContact CA-OE2 3.48Å
219	Q	95.4	Very high	90.8	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.153	C	C	.	.			trans	-78.3	134.2	-174.8	-69.8	-162	-42.7	0	0	113.1	T179 R214 T215 A223 F224 S227 G337 L338	T179-Q219 VanDerWaalsContact CG2-OE1 3.23Å; T179-Q219 PolarHBondContact OG1-OE1 3.45Å; R214-Q219 CarbonylContact C-O 3.36Å; R214-Q219 WeakPolarHBondContact CA-O 2.83Å; T215-Q219 PolarHBondContact N-O 2.94Å; T215-Q219 PolarHBondContact OG1-N 2.89Å; Q219-A223 HydrophobicContact CB-CB 4.2Å; Q219-A223 HydrophobicContact CG-CB 4.47Å; Q219-F224 HydrophobicContact CB-CB 4.46Å; Q219-S227 PolarHBondContact NE2-OG 2.92Å; Q219-S227 PolarHBondContact OE1-OG 3.32Å; Q219-G337 PolarHBondContact NE2-O 3.18Å; Q219-L338 WeakPolarHBondContact CA-O 3.41Å; Q219-L338 HydrophobicContact CG-CD2 4.16Å
220	T	96.6	Very high	91.7	Very high	31 Å²	31	23.9 Å²	23.9	19%	0.19	14%	0.139	C	C	.	.	B	Isolated β-bridge	trans	-66.6	161.5	166.6	66.4	0	0	0	0	111.5	R214 E222 A223 F224 L338 E339 P340	R214-T220 HydrophobicContact CG-CG2 4.23Å; T220-E222 VanDerWaalsContact C-N 3.29Å; T220-E222 PolarHBondContact O-N 3.29Å; T220-A223 PolarHBondContact O-N 2.83Å; T220-A223 VanDerWaalsContact O-N 3.11Å; T220-A223 WeakPolarHBondContact OG1-CB 3.28Å; T220-A223 PolarHBondContact OG1-N 3.03Å; T220-F224 WeakPolarHBondContact O-CB 3.05Å; T220-F224 PolarHBondContact O-N 3.14Å; T220-L338 PolarHBondContact N-O 2.77Å; T220-E339 HydrophobicContact CG2-CG 4.4Å; T220-P340 WeakPolarHBondContact OG1-CD 3.46Å
221	T	95.8	Very high	92.8	Very high	7 Å²	7	20.3 Å²	20.3	4%	0.043	12%	0.12	C	C	.	.	H	α-helix	trans	-51.6	-43	179.4	-54.3	0	0	0	0	113.7	Y225 L238 E253 L254	T221-Y225 PolarHBondContact O-N 3.36Å; T221-Y225 VanDerWaalsContact O-N 3.11Å; T221-L238 HydrophobicContact CG2-CD1 4.43Å; T221-E253 HydrophobicContact CG2-CG 4.44Å; T221-L254 HydrophobicContact CG2-CB 4.07Å; T221-L254 HydrophobicContact CG2-CD1 4.41Å
222	E	97.6	Very high	93.8	Very high	26 Å²	26	22.7 Å²	22.7	12%	0.121	12%	0.118	C	C	.	.	H	α-helix	trans	-74.4	-37.2	179.4	-174.7	170.9	-177.1	0	0	112.5	T220 F224 Y225 N226 R256 I257 P340 N342	T220-E222 VanDerWaalsContact C-N 3.29Å; T220-E222 PolarHBondContact O-N 3.29Å; E222-F224 VanDerWaalsContact C-N 3.34Å; E222-F224 PolarHBondContact O-N 3.11Å; E222-Y225 PolarHBondContact O-N 3.09Å; E222-N226 WeakPolarHBondContact O-CB 3.4Å; E222-N226 PolarHBondContact O-N 2.9Å; E222-R256 IonicContact OE2-NH2 2.76Å; E222-R256 PolarHBondContact OE2-NH2 3.03Å; E222-I257 VanDerWaalsContact CA-CD1 3.46Å; E222-I257 HydrophobicContact CB-CD1 3.68Å; E222-I257 HydrophobicContact CG-CD1 3.83Å; E222-I257 HydrophobicContact CG-CG2 4.28Å; E222-P340 HydrophobicContact CB-CB 4.15Å; E222-P340 HydrophobicContact CB-CG 4.02Å; E222-P340 HydrophobicContact CG-CB 3.76Å; E222-P340 HydrophobicContact CG-CG 4.04Å; E222-N342 PolarHBondContact OE1-ND2 3.42Å
223	A	98.2	Very high	94.9	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-62.3	-42.2	173.4	0	0	0	0	0	111.7	Q219 T220 N226 S227 S336 L338	Q219-A223 HydrophobicContact CB-CB 4.2Å; Q219-A223 HydrophobicContact CG-CB 4.47Å; T220-A223 PolarHBondContact O-N 2.83Å; T220-A223 VanDerWaalsContact O-N 3.11Å; T220-A223 WeakPolarHBondContact OG1-CB 3.28Å; T220-A223 PolarHBondContact OG1-N 3.03Å; A223-N226 PolarHBondContact O-N 3.16Å; A223-S227 WeakPolarHBondContact O-CB 3.48Å; A223-S227 PolarHBondContact O-N 3.17Å; A223-S227 PolarHBondContact O-OG 3.18Å; A223-S336 PolarHBondContact O-OG 2.96Å; A223-L338 VanDerWaalsContact CB-O 3.29Å; A223-L338 WeakPolarHBondContact CB-O 3.37Å
224	F	98.1	Very high	95.7	Very high	1 Å²	1	19.5 Å²	19.5	0%	0.004	10%	0.095	C	C	.	.	H	α-helix	trans	-57.9	-49.7	173.9	169.9	-108	0	0	0	111.6	V176 T179 I204 T215 Q219 T220 E222 S227 L228 F236	V176-F224 HydrophobicContact CB-CE2 4.11Å; V176-F224 HydrophobicContact CB-CZ 4.32Å; V176-F224 HydrophobicContact CG1-CE2 3.75Å; V176-F224 HydrophobicContact CG1-CZ 4.44Å; T179-F224 HydrophobicContact CG2-CD2 4.28Å; I204-F224 HydrophobicContact CG2-CZ 3.88Å; T215-F224 HydrophobicContact CG2-CD2 4.38Å; Q219-F224 HydrophobicContact CB-CB 4.46Å; T220-F224 WeakPolarHBondContact O-CB 3.05Å; T220-F224 PolarHBondContact O-N 3.14Å; E222-F224 VanDerWaalsContact C-N 3.34Å; E222-F224 PolarHBondContact O-N 3.11Å; F224-S227 WeakPolarHBondContact O-CB 3.46Å; F224-S227 PolarHBondContact O-N 3.47Å; F224-L228 HydrophobicContact CD2-CD1 3.99Å; F224-L228 HydrophobicContact CE2-CD1 3.36Å; F224-L228 HydrophobicContact CZ-CD1 3.76Å; F224-L228 PolarHBondContact O-N 3.17Å; F224-F236 HydrophobicContact CE1-CD1 4.09Å; F224-F236 HydrophobicContact CE1-CE1 4.3Å
225	Y	98.2	Very high	96	Very high	6 Å²	6	17 Å²	17	2%	0.024	9%	0.085	C	C	.	.	H	α-helix	trans	-60.9	-48.8	177.2	178.1	-104.3	0	0	0	112.2	T221 E222 S227 L228 R229 F236 L254 I257 A258 E259	T221-Y225 PolarHBondContact O-N 3.36Å; T221-Y225 VanDerWaalsContact O-N 3.11Å; E222-Y225 PolarHBondContact O-N 3.09Å; Y225-S227 PolarHBondContact O-N 3.25Å; Y225-L228 PolarHBondContact O-N 2.98Å; Y225-L228 VanDerWaalsContact O-N 3.14Å; Y225-R229 HydrophobicContact CE1-CG 4.44Å; Y225-R229 PolarHBondContact O-N 3.11Å; Y225-F236 HydrophobicContact CD2-CB 4.4Å; Y225-F236 AromaticContact CD2-CD1 3.89Å; Y225-F236 HydrophobicContact CD2-CD1 3.89Å; Y225-F236 HydrophobicContact CD2-CD2 4.11Å; Y225-F236 HydrophobicContact CD2-CE1 4.13Å; Y225-F236 HydrophobicContact CD2-CE2 4.32Å; Y225-F236 AromaticContact CD2-CG 3.87Å; Y225-F236 HydrophobicContact CD2-CG 3.87Å; Y225-F236 HydrophobicContact CD2-CZ 4.32Å; Y225-F236 AromaticContact CE2-CD2 3.9Å; Y225-F236 HydrophobicContact CE2-CD2 3.9Å; Y225-F236 HydrophobicContact CE2-CE2 4.11Å; Y225-F236 HydrophobicContact CE2-CG 4.09Å; Y225-L254 HydrophobicContact CD2-CD1 4.25Å; Y225-I257 HydrophobicContact CD1-CD1 4.2Å; Y225-I257 HydrophobicContact CD1-CG1 4.2Å; Y225-I257 WeakPolarHBondContact CE1-O 3.39Å; Y225-I257 HydrophobicContact CG-CD1 4.16Å; Y225-I257 HydrophobicContact CG-CG1 4.35Å; Y225-A258 HydrophobicContact CD2-CB 4.41Å; Y225-A258 HydrophobicContact CE2-CB 3.94Å; Y225-E259 PolarHBondContact OH-N 3.24Å
226	N	98.4	Very high	96.4	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.005	9%	0.085	C	C	.	.	H	α-helix	trans	-57.4	-38.2	178.6	-76.2	-1.4	0	0	0	112.1	E222 A223 L228 R334 L335 N342	E222-N226 WeakPolarHBondContact O-CB 3.4Å; E222-N226 PolarHBondContact O-N 2.9Å; A223-N226 PolarHBondContact O-N 3.16Å; N226-L228 VanDerWaalsContact C-N 3.33Å; N226-L228 PolarHBondContact O-N 2.82Å; N226-R334 HydrophobicContact CB-CB 4.42Å; N226-L335 PolarHBondContact ND2-O 3.47Å; N226-L335 VanDerWaalsContact ND2-O 3.11Å; N226-N342 PolarHBondContact ND2-OD1 2.73Å
227	S	98.5	Very high	96.8	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-65.3	-34	179.9	-54.7	0	0	0	0	113.2	Q219 A223 F224 Y225 H230 S336	Q219-S227 PolarHBondContact NE2-OG 2.92Å; Q219-S227 PolarHBondContact OE1-OG 3.32Å; A223-S227 WeakPolarHBondContact O-CB 3.48Å; A223-S227 PolarHBondContact O-N 3.17Å; A223-S227 PolarHBondContact O-OG 3.18Å; F224-S227 WeakPolarHBondContact O-CB 3.46Å; F224-S227 PolarHBondContact O-N 3.47Å; Y225-S227 PolarHBondContact O-N 3.25Å; S227-H230 PolarHBondContact O-CE1 3.09Å; S227-H230 VanDerWaalsContact O-CE1 3.29Å; S227-H230 PolarHBondContact O-ND1 2.95Å; S227-H230 VanDerWaalsContact O-ND1 3.13Å; S227-S336 PolarHBondContact OG-OG 2.76Å
228	L	98.4	Very high	97.2	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-111.9	-2	-172.9	-68.1	170.5	0	0	0	113.9	T179 A182 K183 V186 I204 F224 Y225 N226 H230 A231 F236	T179-L228 HydrophobicContact CG2-CD1 4.11Å; T179-L228 HydrophobicContact CG2-CD2 4.45Å; T179-L228 HydrophobicContact CG2-CG 4.01Å; A182-L228 HydrophobicContact CB-CD1 3.77Å; A182-L228 HydrophobicContact CB-CD2 3.99Å; K183-L228 HydrophobicContact CG-CD2 3.77Å; V186-L228 HydrophobicContact CG2-CD2 4.25Å; I204-L228 HydrophobicContact CD1-CB 4.34Å; I204-L228 HydrophobicContact CG2-CD1 4.02Å; F224-L228 HydrophobicContact CD2-CD1 3.99Å; F224-L228 HydrophobicContact CE2-CD1 3.36Å; F224-L228 HydrophobicContact CZ-CD1 3.76Å; F224-L228 PolarHBondContact O-N 3.17Å; Y225-L228 PolarHBondContact O-N 2.98Å; Y225-L228 VanDerWaalsContact O-N 3.14Å; N226-L228 VanDerWaalsContact C-N 3.33Å; N226-L228 PolarHBondContact O-N 2.82Å; L228-H230 PolarHBondContact O-N 3.08Å; L228-A231 WeakPolarHBondContact O-CB 3.27Å; L228-A231 PolarHBondContact O-N 3Å; L228-F236 HydrophobicContact CB-CE1 3.74Å; L228-F236 HydrophobicContact CB-CZ 3.64Å; L228-F236 HydrophobicContact CD1-CE1 4.44Å
229	R	97.3	Very high	97.4	Very high	44 Å²	44	12.8 Å²	12.8	17%	0.166	6%	0.062	C	C	.	.	G	3₁₀ helix	trans	-49.6	-36	179	-178.5	-176.7	171.6	-111.9	5.1	113.1	Y225 A231 E232 E259 E510	Y225-R229 HydrophobicContact CE1-CG 4.44Å; Y225-R229 PolarHBondContact O-N 3.11Å; R229-A231 PolarHBondContact O-N 3.42Å; R229-A231 VanDerWaalsContact O-N 3.1Å; R229-E232 PolarHBondContact O-N 2.93Å; R229-E232 VanDerWaalsContact O-N 3.09Å; R229-E259 IonicContact CZ-OE1 2.92Å; R229-E259 IonicContact CZ-OE2 2.76Å; R229-E259 VanDerWaalsContact CZ-OE2 3.31Å; R229-E259 VanDerWaalsContact NE-CD 3.27Å; R229-E259 IonicContact NE-OE1 2.72Å; R229-E259 PolarHBondContact NE-OE1 3.31Å; R229-E259 VanDerWaalsContact NE-OE1 3.14Å; R229-E259 IonicContact NE-OE2 2.82Å; R229-E259 PolarHBondContact NE-OE2 3.28Å; R229-E259 VanDerWaalsContact NH2-CD 3.28Å; R229-E259 IonicContact NH2-OE1 3.81Å; R229-E259 PolarHBondContact NH2-OE1 3Å; R229-E259 IonicContact NH2-OE2 2.99Å; R229-E259 PolarHBondContact NH2-OE2 2.86Å; R229-E510 IonicContact CZ-OE1 3.78Å; R229-E510 IonicContact NH1-OE1 3.45Å; R229-E510 PolarHBondContact NH1-OE1 3.31Å; R229-E510 VanDerWaalsContact NH1-OE1 3.17Å; R229-E510 IonicContact NH2-OE1 2.68Å
230	H	97.1	Very high	96.8	Very high	8 Å²	8	13.9 Å²	13.9	4%	0.037	7%	0.07	C	C	.	.	G	3₁₀ helix	trans	-62.6	-12.5	177.4	74.5	-78.2	0	0	0	114.5	K190 S227 L228 E232 G470	K190-H230 PolarHBondContact NZ-O 3.26Å; S227-H230 PolarHBondContact O-CE1 3.09Å; S227-H230 VanDerWaalsContact O-CE1 3.29Å; S227-H230 PolarHBondContact O-ND1 2.95Å; S227-H230 VanDerWaalsContact O-ND1 3.13Å; L228-H230 PolarHBondContact O-N 3.08Å; H230-E232 PolarHBondContact O-N 3.24Å; H230-G470 WeakPolarHBondContact ND1-CA 3.24Å
231	A	97.4	Very high	95.9	Very high	2 Å²	2	13.5 Å²	13.5	2%	0.017	7%	0.07	C	C	.	.	G	3₁₀ helix	trans	-63.6	-24.7	171.8	0	0	0	0	0	112.1	V186 K190 I204 L228 R229 A233	V186-A231 HydrophobicContact CB-CB 4.45Å; V186-A231 HydrophobicContact CG1-CB 3.74Å; V186-A231 HydrophobicContact CG2-CB 3.76Å; K190-A231 WeakPolarHBondContact CE-O 3.25Å; K190-A231 PolarHBondContact NZ-O 2.9Å; K190-A231 VanDerWaalsContact NZ-O 3.16Å; I204-A231 HydrophobicContact CD1-CB 3.59Å; L228-A231 WeakPolarHBondContact O-CB 3.27Å; L228-A231 PolarHBondContact O-N 3Å; R229-A231 PolarHBondContact O-N 3.42Å; R229-A231 VanDerWaalsContact O-N 3.1Å; A231-A233 PolarHBondContact O-N 3.1Å
232	E	95.9	Very high	95.2	Very high	127 Å²	127	13.4 Å²	13.4	59%	0.593	7%	0.069	S	C	*	.			trans	55.4	38.9	-174.6	-62.9	167.4	-133.4	0	0	111.5	K190 R229 H230 R467	K190-E232 IonicContact NZ-OE1 2.76Å; R229-E232 PolarHBondContact O-N 2.93Å; R229-E232 VanDerWaalsContact O-N 3.09Å; H230-E232 PolarHBondContact O-N 3.24Å; E232-R467 IonicContact OE1-CZ 2.75Å; E232-R467 IonicContact OE1-NE 3.87Å; E232-R467 IonicContact OE1-NH2 3.74Å; E232-R467 PolarHBondContact OE1-NH2 2.86Å
233	A	97.8	Very high	94.7	Very high	9 Å²	9	12.5 Å²	12.5	7%	0.074	7%	0.067	C	C	.	.			trans	-60.9	146.5	-176.6	0	0	0	0	0	111.7	I202 I204 A231 S235 F236 C260	I202-A233 CarbonylContact O-C 3.59Å; I202-A233 WeakPolarHBondContact O-CA 3.3Å; I202-A233 WeakPolarHBondContact O-CB 3.33Å; I204-A233 HydrophobicContact CD1-CB 4.19Å; I204-A233 HydrophobicContact CG1-CB 4.17Å; A231-A233 PolarHBondContact O-N 3.1Å; A233-S235 PolarHBondContact O-N 3.48Å; A233-F236 HydrophobicContact CB-CD2 3.93Å; A233-F236 HydrophobicContact CB-CE2 3.64Å; A233-C260 WeakPolarHBondContact O-CB 3.27Å
234	L	98.1	Very high	94.3	Very high	3 Å²	3	12.6 Å²	12.6	2%	0.016	7%	0.067	C	C	.	.	S	Bend	trans	-57.4	-43	168.4	178.7	68.3	0	0	0	110.2	M1 R2 L5 P201 I202 Y261	M1-L234 HydrophobicContact CE-CD2 3.75Å; M1-L234 HydrophobicContact CG-CD2 4.45Å; M1-L234 HydrophobicContact SD-CD2 3.61Å; R2-L234 HydrophobicContact CG-CD1 3.84Å; L5-L234 HydrophobicContact CD1-CD1 4.07Å; L5-L234 HydrophobicContact CD1-CD2 4.04Å; L5-L234 HydrophobicContact CD1-CG 4.19Å; P201-L234 HydrophobicContact CB-CB 3.99Å; P201-L234 HydrophobicContact CB-CD2 3.85Å; P201-L234 HydrophobicContact CB-CG 4.43Å; I202-L234 WeakPolarHBondContact O-CB 3.44Å; I202-L234 PolarHBondContact O-N 2.65Å; L234-Y261 HydrophobicContact CD1-CD2 3.8Å; L234-Y261 HydrophobicContact CD1-CE2 3.88Å; L234-Y261 HydrophobicContact CG-CD2 4.23Å; L234-Y261 WeakPolarHBondContact O-CB 3.36Å; L234-Y261 VanDerWaalsContact O-CD2 3.23Å; L234-Y261 WeakPolarHBondContact O-CD2 3.39Å; L234-Y261 PolarHBondContact O-N 3.08Å
235	S	98.4	Very high	93.8	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	151.8	178.4	65.1	0	0	0	0	113.3	M203 I204 A233 Y261 T263	M203-S235 WeakPolarHBondContact CG-OG 3.4Å; I204-S235 PolarHBondContact N-O 3.43Å; A233-S235 PolarHBondContact O-N 3.48Å; S235-Y261 CarbonylContact C-O 3.56Å; S235-Y261 WeakPolarHBondContact CA-O 3.08Å; S235-Y261 VanDerWaalsContact CB-O 3.27Å; S235-Y261 WeakPolarHBondContact CB-O 3.46Å; S235-T263 VanDerWaalsContact CB-CG2 3.41Å; S235-T263 WeakPolarHBondContact OG-CG2 3.25Å
236	F	98.5	Very high	93.3	Very high	3 Å²	3	22.7 Å²	22.7	1%	0.013	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	144.7	167.2	-90	-101.9	0	0	0	109.2	I204 F224 Y225 L228 A233 L254 C260 Y261 V262 T263	I204-F236 HydrophobicContact CB-CD1 4.15Å; I204-F236 HydrophobicContact CB-CE1 4.01Å; I204-F236 HydrophobicContact CB-CZ 4.26Å; I204-F236 HydrophobicContact CD1-CE1 4.18Å; I204-F236 HydrophobicContact CD1-CE2 4.26Å; I204-F236 HydrophobicContact CD1-CZ 3.74Å; I204-F236 HydrophobicContact CG1-CZ 4.49Å; I204-F236 HydrophobicContact CG2-CD1 4.13Å; I204-F236 HydrophobicContact CG2-CE1 3.84Å; I204-F236 HydrophobicContact CG2-CZ 4.44Å; I204-F236 CarbonylContact O-C 3.58Å; I204-F236 VanDerWaalsContact O-CA 3.28Å; I204-F236 WeakPolarHBondContact O-CA 3.47Å; F224-F236 HydrophobicContact CE1-CD1 4.09Å; F224-F236 HydrophobicContact CE1-CE1 4.3Å; Y225-F236 HydrophobicContact CD2-CB 4.4Å; Y225-F236 AromaticContact CD2-CD1 3.89Å; Y225-F236 HydrophobicContact CD2-CD1 3.89Å; Y225-F236 HydrophobicContact CD2-CD2 4.11Å; Y225-F236 HydrophobicContact CD2-CE1 4.13Å; Y225-F236 HydrophobicContact CD2-CE2 4.32Å; Y225-F236 AromaticContact CD2-CG 3.87Å; Y225-F236 HydrophobicContact CD2-CG 3.87Å; Y225-F236 HydrophobicContact CD2-CZ 4.32Å; Y225-F236 AromaticContact CE2-CD2 3.9Å; Y225-F236 HydrophobicContact CE2-CD2 3.9Å; Y225-F236 HydrophobicContact CE2-CE2 4.11Å; Y225-F236 HydrophobicContact CE2-CG 4.09Å; L228-F236 HydrophobicContact CB-CE1 3.74Å; L228-F236 HydrophobicContact CB-CZ 3.64Å; L228-F236 HydrophobicContact CD1-CE1 4.44Å; A233-F236 HydrophobicContact CB-CD2 3.93Å; A233-F236 HydrophobicContact CB-CE2 3.64Å; F236-L254 HydrophobicContact CB-CD1 4.19Å; F236-L254 HydrophobicContact CB-CD2 4.25Å; F236-C260 VanDerWaalsContact CD2-SG 3.57Å; F236-Y261 PolarHBondContact N-O 3.12Å; F236-V262 CarbonylContact O-C 2.93Å; F236-V262 VanDerWaalsContact O-CA 3.27Å; F236-V262 WeakPolarHBondContact O-CA 3.46Å; F236-T263 PolarHBondContact O-N 2.95Å
237	G	97.7	Very high	93	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	-179.1	177.3	0	0	0	0	0	114.4	I204 S205 G206 T263	I204-G237 PolarHBondContact O-N 3.07Å; S205-G237 WeakPolarHBondContact CA-O 3.4Å; G206-G237 PolarHBondContact N-O 3.34Å; G237-T263 WeakPolarHBondContact CA-O 3.31Å; G237-T263 WeakPolarHBondContact CA-OG1 3.45Å
238	L	97.3	Very high	92.8	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	142	172.4	-59.7	173.7	0	0	0	110.5	G206 I208 T221 L247 Y250 L254 T263 A264 H265	G206-L238 CarbonylContact O-C 3.29Å; G206-L238 WeakPolarHBondContact O-CA 3.28Å; I208-L238 HydrophobicContact CD1-CD2 4.39Å; I208-L238 HydrophobicContact CG1-CD1 4.15Å; I208-L238 HydrophobicContact CG1-CD2 4.09Å; T221-L238 HydrophobicContact CG2-CD1 4.43Å; L238-L247 HydrophobicContact CB-CD1 4.01Å; L238-L247 HydrophobicContact CB-CD2 4.28Å; L238-L247 HydrophobicContact CB-CG 4.43Å; L238-L247 HydrophobicContact CD1-CD1 4.2Å; L238-Y250 VanDerWaalsContact CD1-CB 3.45Å; L238-L254 HydrophobicContact CG-CD2 4.13Å; L238-T263 PolarHBondContact N-O 3.35Å; L238-A264 WeakPolarHBondContact O-CA 3.34Å; L238-H265 PolarHBondContact O-N 3.26Å; L238-H265 VanDerWaalsContact O-N 3.15Å
239	N	94.8	Very high	92.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	159.9	179.9	74	-56.8	0	0	0	113.7	E174 T175 S205 G206 T207 H265	E174-N239 PolarHBondContact OE2-ND2 3.28Å; T175-N239 PolarHBondContact N-OD1 2.52Å; T175-N239 PolarHBondContact OG1-ND2 2.69Å; S205-N239 WeakPolarHBondContact CB-OD1 3.35Å; S205-N239 WeakPolarHBondContact OG-CB 3.44Å; S205-N239 VanDerWaalsContact OG-CG 3.24Å; S205-N239 PolarHBondContact OG-N 2.9Å; S205-N239 PolarHBondContact OG-OD1 3.34Å; G206-N239 PolarHBondContact O-N 3.33Å; G206-N239 PolarHBondContact O-OD1 3.45Å; T207-N239 WeakPolarHBondContact CB-O 3.3Å; T207-N239 WeakPolarHBondContact CG2-O 3.38Å; T207-N239 PolarHBondContact OG1-O 3.22Å; T207-N239 PolarHBondContact OG1-OD1 2.66Å; N239-H265 WeakPolarHBondContact CA-O 3.29Å; N239-H265 WeakPolarHBondContact CB-CD2 3.49Å; N239-H265 WeakPolarHBondContact CB-CE1 3.27Å; N239-H265 WeakPolarHBondContact CB-NE2 3.46Å; N239-H265 WeakPolarHBondContact CB-O 3.32Å; N239-H265 PolarHBondContact ND2-NE2 2.89Å
240	C	83.3	Confident	92.5	Very high	23 Å²	23	30.5 Å²	30.5	16%	0.155	15%	0.153	C	C	.	.	S	Bend	trans	60.2	-168.9	176.1	-152.3	0	0	0	0	114.2	T207 L242 H265 C303	T207-C240 HydrophobicContact CG2-CB 4.31Å; C240-L242 PolarHBondContact O-N 3.33Å; C240-H265 PolarHBondContact N-O 3.32Å; C240-C303 HydrophobicContact CB-CB 4.38Å; C240-C303 VanDerWaalsContact SG-SG 3.68Å
241	A	76.1	Confident	92.4	Very high	23 Å²	23	30.1 Å²	30.1	19%	0.19	15%	0.151	C	C	.	.	S	Bend	trans	54.1	-65	179.3	0	0	0	0	0	115.9	T207 I208 N267 L270	T207-A241 HydrophobicContact CG2-CB 3.52Å; I208-A241 WeakPolarHBondContact O-CB 3.02Å; A241-N267 PolarHBondContact O-ND2 2.94Å; A241-L270 VanDerWaalsContact O-CD2 3.3Å; A241-L270 WeakPolarHBondContact O-CD2 3.29Å
242	L	82	Confident	92.4	Very high	5 Å²	5	34.3 Å²	34.3	3%	0.026	17%	0.17	C	C	.	.	S	Bend	trans	-90.9	131.4	177.6	-60.9	178.9	0	0	0	110.6	I208 C240 E246 L247 Y250 N267	I208-L242 HydrophobicContact CB-CD1 4.11Å; I208-L242 HydrophobicContact CG2-CD1 3.74Å; C240-L242 PolarHBondContact O-N 3.33Å; L242-E246 HydrophobicContact CB-CB 4.11Å; L242-E246 HydrophobicContact CD1-CB 4.42Å; L242-E246 HydrophobicContact CD2-CB 4.13Å; L242-E246 WeakPolarHBondContact CD2-OE2 3.37Å; L242-E246 HydrophobicContact CG-CB 4.46Å; L242-L247 HydrophobicContact CB-CB 4Å; L242-L247 HydrophobicContact CB-CD1 4.1Å; L242-L247 HydrophobicContact CD1-CD1 4.23Å; L242-Y250 HydrophobicContact CD1-CD2 3.88Å; L242-Y250 HydrophobicContact CD1-CE2 3.55Å; L242-N267 PolarHBondContact O-OD1 3.37Å; L242-N267 VanDerWaalsContact O-OD1 3.07Å
243	G	86.1	Confident	92.4	Very high	7 Å²	7	31 Å²	31	7%	0.072	16%	0.155	C	C	.	.			trans	-59.9	165.9	167.9	0	0	0	0	0	111.1	D245 E246 L247 N267	G243-D245 VanDerWaalsContact C-N 3.26Å; G243-D245 PolarHBondContact O-N 3.37Å; G243-D245 VanDerWaalsContact O-N 3.17Å; G243-E246 PolarHBondContact O-N 3.29Å; G243-L247 WeakPolarHBondContact O-CB 3.4Å; G243-L247 PolarHBondContact O-N 3.25Å; G243-N267 WeakPolarHBondContact CA-OD1 3.47Å; G243-N267 PolarHBondContact N-OD1 3.28Å; G243-N267 VanDerWaalsContact N-OD1 3.15Å
244	P	90.1	Very high	92.3	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.006	15%	0.151	C	C	.	.	H	α-helix	trans	-52.5	-42.5	-178.8	20.3	-33.8	0	0	0	113.3	E246 L247 R248 P266 N267 L279 M284 Q287 W291	P244-E246 VanDerWaalsContact C-N 3.34Å; P244-E246 PolarHBondContact O-N 3.24Å; P244-L247 PolarHBondContact O-N 3.48Å; P244-R248 PolarHBondContact O-N 3.44Å; P244-R248 VanDerWaalsContact O-N 3.16Å; P244-P266 HydrophobicContact CB-CB 4.42Å; P244-P266 HydrophobicContact CB-CG 4.14Å; P244-N267 WeakPolarHBondContact CD-O 3.2Å; P244-L279 HydrophobicContact CG-CD2 3.51Å; P244-M284 HydrophobicContact CG-CG 4.34Å; P244-Q287 HydrophobicContact CB-CB 4.06Å; P244-Q287 HydrophobicContact CG-CB 4.46Å; P244-W291 VanDerWaalsContact CA-CZ2 3.43Å; P244-W291 HydrophobicContact CB-CH2 3.78Å; P244-W291 HydrophobicContact CB-CZ2 3.47Å; P244-W291 VanDerWaalsContact CB-CZ2 3.47Å; P244-W291 WeakPolarHBondContact O-CZ2 3.45Å
245	D	88.5	Confident	92.3	Very high	121 Å²	121	31.2 Å²	31.2	65%	0.647	16%	0.156	S	C	*	.	H	α-helix	trans	-55.5	-47.9	-177.6	-152.3	30	0	0	0	113.2	G243	G243-D245 VanDerWaalsContact C-N 3.26Å; G243-D245 PolarHBondContact O-N 3.37Å; G243-D245 VanDerWaalsContact O-N 3.17Å
246	E	88.6	Confident	92.1	Very high	99 Å²	99	37.8 Å²	37.8	46%	0.463	18%	0.181	S	C	.	.	H	α-helix	trans	-79.5	-32.4	-177.1	-64.5	179	152.4	0	0	112.2	L242 G243 P244 R248	L242-E246 HydrophobicContact CB-CB 4.11Å; L242-E246 HydrophobicContact CD1-CB 4.42Å; L242-E246 HydrophobicContact CD2-CB 4.13Å; L242-E246 WeakPolarHBondContact CD2-OE2 3.37Å; L242-E246 HydrophobicContact CG-CB 4.46Å; G243-E246 PolarHBondContact O-N 3.29Å; P244-E246 VanDerWaalsContact C-N 3.34Å; P244-E246 PolarHBondContact O-N 3.24Å; E246-R248 VanDerWaalsContact C-N 3.27Å; E246-R248 PolarHBondContact O-N 3.42Å
247	L	92.1	Very high	92	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-71.8	-22.6	-179.1	-165.2	65.6	0	0	0	112.7	L238 L242 G243 P244 Q249 Y250 V251 P266 W291	L238-L247 HydrophobicContact CB-CD1 4.01Å; L238-L247 HydrophobicContact CB-CD2 4.28Å; L238-L247 HydrophobicContact CB-CG 4.43Å; L238-L247 HydrophobicContact CD1-CD1 4.2Å; L242-L247 HydrophobicContact CB-CB 4Å; L242-L247 HydrophobicContact CB-CD1 4.1Å; L242-L247 HydrophobicContact CD1-CD1 4.23Å; G243-L247 WeakPolarHBondContact O-CB 3.4Å; G243-L247 PolarHBondContact O-N 3.25Å; P244-L247 PolarHBondContact O-N 3.48Å; L247-Q249 VanDerWaalsContact C-N 3.33Å; L247-Q249 PolarHBondContact O-N 2.95Å; L247-Y250 HydrophobicContact CD1-CD2 4.44Å; L247-Y250 PolarHBondContact O-N 3.49Å; L247-Y250 VanDerWaalsContact O-N 3.09Å; L247-V251 HydrophobicContact CD2-CG2 4.32Å; L247-V251 HydrophobicContact CG-CG2 4.01Å; L247-V251 PolarHBondContact O-N 2.88Å; L247-V251 VanDerWaalsContact O-N 3.13Å; L247-P266 HydrophobicContact CD2-CB 3.95Å; L247-W291 HydrophobicContact CB-CH2 4.44Å; L247-W291 HydrophobicContact CD2-CH2 4.47Å
248	R	93.7	Very high	92	Very high	74 Å²	74	38.2 Å²	38.2	28%	0.279	18%	0.183	S	C	.	.	H	α-helix	trans	-48.6	-48.6	-173.4	-178.8	-174.5	-179.8	-71.6	-3.3	113.6	P244 E246 Y250 V251 Q252 E290 W291	P244-R248 PolarHBondContact O-N 3.44Å; P244-R248 VanDerWaalsContact O-N 3.16Å; E246-R248 VanDerWaalsContact C-N 3.27Å; E246-R248 PolarHBondContact O-N 3.42Å; R248-Y250 VanDerWaalsContact C-N 3.28Å; R248-Y250 PolarHBondContact O-N 3.41Å; R248-V251 PolarHBondContact O-N 3.49Å; R248-Q252 PolarHBondContact O-N 3.37Å; R248-E290 WeakPolarHBondContact CD-OE2 3.36Å; R248-E290 IonicContact CZ-OE1 2.95Å; R248-E290 IonicContact CZ-OE2 3.28Å; R248-E290 IonicContact NE-OE1 2.74Å; R248-E290 PolarHBondContact NE-OE1 2.84Å; R248-E290 IonicContact NE-OE2 3.35Å; R248-E290 PolarHBondContact NE-OE2 2.98Å; R248-E290 IonicContact NH2-OE1 2.74Å; R248-E290 PolarHBondContact NH2-OE1 3.28Å; R248-E290 IonicContact NH2-OE2 2.7Å; R248-W291 HydrophobicContact CB-CZ2 4.39Å
249	Q	93.2	Very high	91.9	Very high	113 Å²	113	41.3 Å²	41.3	53%	0.528	20%	0.198	S	C	.	.	H	α-helix	trans	-65.9	-31.7	-174.2	67.1	-175	23.7	0	0	112.7	L247 Q252 E253	L247-Q249 VanDerWaalsContact C-N 3.33Å; L247-Q249 PolarHBondContact O-N 2.95Å; Q249-Q252 WeakPolarHBondContact O-CB 3.29Å; Q249-E253 PolarHBondContact O-N 3.33Å
250	Y	95	Very high	92	Very high	21 Å²	21	42.3 Å²	42.3	8%	0.082	20%	0.204	C	C	.	.	H	α-helix	trans	-79.8	-32.2	178.3	-50.4	-59.7	0	0	0	111.9	I208 A211 G213 L238 L242 L247 R248 Q252 E253 L254	I208-Y250 HydrophobicContact CG1-CD2 4.45Å; I208-Y250 HydrophobicContact CG1-CG 4.4Å; I208-Y250 HydrophobicContact CG2-CD2 4.1Å; I208-Y250 HydrophobicContact CG2-CE2 3.97Å; A211-Y250 PolarHBondContact O-OH 3.07Å; G213-Y250 VanDerWaalsContact CA-OH 3.23Å; G213-Y250 WeakPolarHBondContact CA-OH 3.49Å; G213-Y250 PolarHBondContact N-OH 3.2Å; G213-Y250 VanDerWaalsContact N-OH 3.15Å; L238-Y250 VanDerWaalsContact CD1-CB 3.45Å; L242-Y250 HydrophobicContact CD1-CD2 3.88Å; L242-Y250 HydrophobicContact CD1-CE2 3.55Å; L247-Y250 HydrophobicContact CD1-CD2 4.44Å; L247-Y250 PolarHBondContact O-N 3.49Å; L247-Y250 VanDerWaalsContact O-N 3.09Å; R248-Y250 VanDerWaalsContact C-N 3.28Å; R248-Y250 PolarHBondContact O-N 3.41Å; Y250-Q252 VanDerWaalsContact C-N 3.34Å; Y250-E253 PolarHBondContact O-N 2.88Å; Y250-L254 WeakPolarHBondContact O-CB 3.48Å; Y250-L254 PolarHBondContact O-N 3.17Å
251	V	96.3	Very high	92.7	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.006	20%	0.199	C	C	.	.	H	α-helix	trans	-65.9	-40	169.9	177.4	0	0	0	0	110.6	L247 R248 L254 S255 A264 W291 F296 L297	L247-V251 HydrophobicContact CD2-CG2 4.32Å; L247-V251 HydrophobicContact CG-CG2 4.01Å; L247-V251 PolarHBondContact O-N 2.88Å; L247-V251 VanDerWaalsContact O-N 3.13Å; R248-V251 PolarHBondContact O-N 3.49Å; V251-L254 PolarHBondContact O-N 3.03Å; V251-S255 VanDerWaalsContact O-CB 3.23Å; V251-S255 WeakPolarHBondContact O-CB 3.25Å; V251-S255 PolarHBondContact O-N 3Å; V251-A264 HydrophobicContact CG1-CB 4.41Å; V251-A264 HydrophobicContact CG2-CB 4.01Å; V251-W291 HydrophobicContact CG1-CE3 4.34Å; V251-W291 HydrophobicContact CG2-CE3 4.47Å; V251-W291 HydrophobicContact CG2-CZ3 4.17Å; V251-F296 HydrophobicContact CG1-CB 4.01Å; V251-L297 HydrophobicContact CG1-CD2 3.79Å
252	Q	96.4	Very high	93.8	Very high	90 Å²	90	40.7 Å²	40.7	42%	0.421	19%	0.19	S	C	.	.	H	α-helix	trans	-60	-46.3	172.5	175.7	177.5	-6.9	0	0	111.2	R248 Q249 Y250 S255 R256 F296	R248-Q252 PolarHBondContact O-N 3.37Å; Q249-Q252 WeakPolarHBondContact O-CB 3.29Å; Y250-Q252 VanDerWaalsContact C-N 3.34Å; Q252-S255 WeakPolarHBondContact O-CB 3.42Å; Q252-S255 PolarHBondContact O-N 2.68Å; Q252-R256 PolarHBondContact O-N 2.87Å; Q252-F296 HydrophobicContact CB-CD2 4.33Å; Q252-F296 HydrophobicContact CB-CE1 4.17Å; Q252-F296 HydrophobicContact CB-CE2 3.77Å; Q252-F296 HydrophobicContact CB-CZ 3.68Å; Q252-F296 HydrophobicContact CG-CE1 3.91Å; Q252-F296 HydrophobicContact CG-CE2 4.24Å; Q252-F296 HydrophobicContact CG-CZ 3.61Å
253	E	95.9	Very high	94.5	Very high	57 Å²	57	40.6 Å²	40.6	27%	0.266	19%	0.189	S	C	.	.	H	α-helix	trans	-63.1	-47.3	178.5	-178.8	65.8	167.4	0	0	111.8	T221 Q249 Y250 S255 R256 I257	T221-E253 HydrophobicContact CG2-CG 4.44Å; Q249-E253 PolarHBondContact O-N 3.33Å; Y250-E253 PolarHBondContact O-N 2.88Å; E253-S255 VanDerWaalsContact C-N 3.27Å; E253-S255 PolarHBondContact O-N 3.26Å; E253-R256 VanDerWaalsContact CD-NH2 3.25Å; E253-R256 WeakPolarHBondContact O-CA 3.35Å; E253-R256 VanDerWaalsContact O-CB 3.3Å; E253-R256 WeakPolarHBondContact O-CB 3.46Å; E253-R256 PolarHBondContact O-N 2.69Å; E253-R256 IonicContact OE1-CZ 2.83Å; E253-R256 IonicContact OE1-NE 3.1Å; E253-R256 IonicContact OE1-NH2 2.63Å; E253-R256 PolarHBondContact OE1-NH2 3.2Å; E253-R256 IonicContact OE2-CZ 3.57Å; E253-R256 IonicContact OE2-NE 3.68Å; E253-R256 PolarHBondContact OE2-NE 2.85Å; E253-R256 IonicContact OE2-NH2 3.64Å; E253-R256 PolarHBondContact OE2-NH2 3.49Å; E253-I257 WeakPolarHBondContact O-CG1 3.34Å; E253-I257 PolarHBondContact O-N 2.96Å; E253-I257 VanDerWaalsContact O-N 3.16Å
254	L	96.9	Very high	95.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-59.6	-39.5	175.2	-171.9	61.4	0	0	0	111.6	T221 Y225 F236 L238 Y250 V251 R256 I257 A258 V262	T221-L254 HydrophobicContact CG2-CB 4.07Å; T221-L254 HydrophobicContact CG2-CD1 4.41Å; Y225-L254 HydrophobicContact CD2-CD1 4.25Å; F236-L254 HydrophobicContact CB-CD1 4.19Å; F236-L254 HydrophobicContact CB-CD2 4.25Å; L238-L254 HydrophobicContact CG-CD2 4.13Å; Y250-L254 WeakPolarHBondContact O-CB 3.48Å; Y250-L254 PolarHBondContact O-N 3.17Å; V251-L254 PolarHBondContact O-N 3.03Å; L254-R256 PolarHBondContact O-N 3.3Å; L254-I257 HydrophobicContact CD1-CD1 4.37Å; L254-I257 HydrophobicContact CD1-CG1 4.34Å; L254-I257 PolarHBondContact O-N 3.14Å; L254-A258 HydrophobicContact CD1-CB 4.28Å; L254-A258 HydrophobicContact CG-CB 4.49Å; L254-A258 WeakPolarHBondContact O-CB 3.43Å; L254-A258 PolarHBondContact O-N 2.92Å; L254-V262 HydrophobicContact CD2-CG1 4.39Å; L254-V262 HydrophobicContact CG-CG2 4.49Å
255	S	96.8	Very high	95.4	Very high	16 Å²	16	40.2 Å²	40.2	11%	0.112	19%	0.186	C	C	.	.	H	α-helix	trans	-63.1	-25.4	173	174.7	0	0	0	0	113.7	V251 Q252 E253 R324	V251-S255 VanDerWaalsContact O-CB 3.23Å; V251-S255 WeakPolarHBondContact O-CB 3.25Å; V251-S255 PolarHBondContact O-N 3Å; Q252-S255 WeakPolarHBondContact O-CB 3.42Å; Q252-S255 PolarHBondContact O-N 2.68Å; E253-S255 VanDerWaalsContact C-N 3.27Å; E253-S255 PolarHBondContact O-N 3.26Å; S255-R324 VanDerWaalsContact O-CZ 3.29Å; S255-R324 PolarHBondContact O-NE 3.09Å; S255-R324 PolarHBondContact O-NH2 3.04Å; S255-R324 VanDerWaalsContact OG-CD 3.3Å; S255-R324 WeakPolarHBondContact OG-CD 3.45Å; S255-R324 PolarHBondContact OG-NE 3.06Å
256	R	95.5	Very high	95.7	Very high	138 Å²	138	34.5 Å²	34.5	52%	0.521	16%	0.155	S	C	.	.	H	α-helix	trans	-78.3	-40.4	175.8	-174.6	-176.6	65.5	76.8	-3.2	111.7	E222 Q252 E253 L254	E222-R256 IonicContact OE2-NH2 2.76Å; E222-R256 PolarHBondContact OE2-NH2 3.03Å; Q252-R256 PolarHBondContact O-N 2.87Å; E253-R256 VanDerWaalsContact CD-NH2 3.25Å; E253-R256 WeakPolarHBondContact O-CA 3.35Å; E253-R256 VanDerWaalsContact O-CB 3.3Å; E253-R256 WeakPolarHBondContact O-CB 3.46Å; E253-R256 PolarHBondContact O-N 2.69Å; E253-R256 IonicContact OE1-CZ 2.83Å; E253-R256 IonicContact OE1-NE 3.1Å; E253-R256 IonicContact OE1-NH2 2.63Å; E253-R256 PolarHBondContact OE1-NH2 3.2Å; E253-R256 IonicContact OE2-CZ 3.57Å; E253-R256 IonicContact OE2-NE 3.68Å; E253-R256 PolarHBondContact OE2-NE 2.85Å; E253-R256 IonicContact OE2-NH2 3.64Å; E253-R256 PolarHBondContact OE2-NH2 3.49Å; L254-R256 PolarHBondContact O-N 3.3Å
257	I	95.6	Very high	95.8	Very high	12 Å²	12	30 Å²	30	6%	0.062	13%	0.134	C	C	.	.	H	α-helix	trans	-97.8	-21.9	-168.6	66.1	179.2	0	0	0	114.8	E222 Y225 E253 L254 E259 I329	E222-I257 VanDerWaalsContact CA-CD1 3.46Å; E222-I257 HydrophobicContact CB-CD1 3.68Å; E222-I257 HydrophobicContact CG-CD1 3.83Å; E222-I257 HydrophobicContact CG-CG2 4.28Å; Y225-I257 HydrophobicContact CD1-CD1 4.2Å; Y225-I257 HydrophobicContact CD1-CG1 4.2Å; Y225-I257 WeakPolarHBondContact CE1-O 3.39Å; Y225-I257 HydrophobicContact CG-CD1 4.16Å; Y225-I257 HydrophobicContact CG-CG1 4.35Å; E253-I257 WeakPolarHBondContact O-CG1 3.34Å; E253-I257 PolarHBondContact O-N 2.96Å; E253-I257 VanDerWaalsContact O-N 3.16Å; L254-I257 HydrophobicContact CD1-CD1 4.37Å; L254-I257 HydrophobicContact CD1-CG1 4.34Å; L254-I257 PolarHBondContact O-N 3.14Å; I257-E259 PolarHBondContact O-N 3.08Å; I257-I329 WeakPolarHBondContact O-CD1 3.41Å
258	A	96.9	Very high	95.7	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.135	C	C	.	.			trans	-79.5	121.9	-173.5	0	0	0	0	0	112.7	Y225 L254 C260 V262 R324 P327	Y225-A258 HydrophobicContact CD2-CB 4.41Å; Y225-A258 HydrophobicContact CE2-CB 3.94Å; L254-A258 HydrophobicContact CD1-CB 4.28Å; L254-A258 HydrophobicContact CG-CB 4.49Å; L254-A258 WeakPolarHBondContact O-CB 3.43Å; L254-A258 PolarHBondContact O-N 2.92Å; A258-C260 VanDerWaalsContact C-N 3.26Å; A258-C260 PolarHBondContact O-N 3.39Å; A258-V262 HydrophobicContact CB-CG2 3.98Å; A258-R324 PolarHBondContact O-NH2 3.06Å; A258-P327 WeakPolarHBondContact O-CG 3.45Å
259	E	95.6	Very high	95.1	Very high	67 Å²	67	27.2 Å²	27.2	31%	0.313	13%	0.128	S	C	.	.	S	Bend	trans	-69.5	-25.1	173	-64.7	169.6	170.3	0	0	112.6	Y225 R229 I257 I329	Y225-E259 PolarHBondContact OH-N 3.24Å; R229-E259 IonicContact CZ-OE1 2.92Å; R229-E259 IonicContact CZ-OE2 2.76Å; R229-E259 VanDerWaalsContact CZ-OE2 3.31Å; R229-E259 VanDerWaalsContact NE-CD 3.27Å; R229-E259 IonicContact NE-OE1 2.72Å; R229-E259 PolarHBondContact NE-OE1 3.31Å; R229-E259 VanDerWaalsContact NE-OE1 3.14Å; R229-E259 IonicContact NE-OE2 2.82Å; R229-E259 PolarHBondContact NE-OE2 3.28Å; R229-E259 VanDerWaalsContact NH2-CD 3.28Å; R229-E259 IonicContact NH2-OE1 3.81Å; R229-E259 PolarHBondContact NH2-OE1 3Å; R229-E259 IonicContact NH2-OE2 2.99Å; R229-E259 PolarHBondContact NH2-OE2 2.86Å; I257-E259 PolarHBondContact O-N 3.08Å; E259-I329 HydrophobicContact CB-CD1 4.33Å; E259-I329 HydrophobicContact CG-CB 4.27Å; E259-I329 HydrophobicContact CG-CD1 3.51Å; E259-I329 HydrophobicContact CG-CG1 4.4Å
260	C	96.8	Very high	94.2	Very high	20 Å²	20	27.2 Å²	27.2	14%	0.135	13%	0.132	C	C	.	.	S	Bend	trans	-93.5	-172.9	179.4	66	0	0	0	0	112.2	A233 F236 A258 R324 L326	A233-C260 WeakPolarHBondContact O-CB 3.27Å; F236-C260 VanDerWaalsContact CD2-SG 3.57Å; A258-C260 VanDerWaalsContact C-N 3.26Å; A258-C260 PolarHBondContact O-N 3.39Å; C260-R324 PolarHBondContact O-NH1 2.96Å; C260-L326 VanDerWaalsContact C-CD2 3.41Å; C260-L326 VanDerWaalsContact O-CD2 3.32Å; C260-L326 WeakPolarHBondContact O-CD2 3.49Å
261	Y	98.4	Very high	92.9	Very high	13 Å²	13	29.1 Å²	29.1	5%	0.051	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	156.7	174.4	-60.1	-66	0	0	0	111.4	L5 N6 L234 S235 F236 N298 L326	L5-Y261 HydrophobicContact CB-CD1 4.37Å; L5-Y261 HydrophobicContact CB-CD2 4.49Å; L5-Y261 HydrophobicContact CB-CE1 4.05Å; L5-Y261 HydrophobicContact CB-CE2 4.22Å; L5-Y261 HydrophobicContact CD1-CD2 3.72Å; L5-Y261 HydrophobicContact CD1-CE2 3.85Å; L5-Y261 HydrophobicContact CD1-CG 4.26Å; N6-Y261 PolarHBondContact OD1-OH 3.28Å; L234-Y261 HydrophobicContact CD1-CD2 3.8Å; L234-Y261 HydrophobicContact CD1-CE2 3.88Å; L234-Y261 HydrophobicContact CG-CD2 4.23Å; L234-Y261 WeakPolarHBondContact O-CB 3.36Å; L234-Y261 VanDerWaalsContact O-CD2 3.23Å; L234-Y261 WeakPolarHBondContact O-CD2 3.39Å; L234-Y261 PolarHBondContact O-N 3.08Å; S235-Y261 CarbonylContact C-O 3.56Å; S235-Y261 WeakPolarHBondContact CA-O 3.08Å; S235-Y261 VanDerWaalsContact CB-O 3.27Å; S235-Y261 WeakPolarHBondContact CB-O 3.46Å; F236-Y261 PolarHBondContact N-O 3.12Å; Y261-N298 WeakPolarHBondContact CA-OD1 3.41Å; Y261-N298 HydrophobicContact CD1-CB 4.08Å; Y261-N298 VanDerWaalsContact CD1-CG 3.47Å; Y261-N298 WeakPolarHBondContact CD1-ND2 3.41Å; Y261-N298 HydrophobicContact CG-CB 4.3Å; Y261-L326 HydrophobicContact CD1-CD2 3.69Å; Y261-L326 HydrophobicContact CD1-CG 4.38Å; Y261-L326 HydrophobicContact CE1-CD1 4.25Å; Y261-L326 HydrophobicContact CE1-CD2 3.97Å; Y261-L326 HydrophobicContact CE1-CG 4.16Å; Y261-L326 HydrophobicContact CG-CD2 4.26Å
262	V	98.5	Very high	91.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	136.5	179.7	174.4	0	0	0	0	111.7	F236 L254 A258 F296 N298 I299	F236-V262 CarbonylContact O-C 2.93Å; F236-V262 VanDerWaalsContact O-CA 3.27Å; F236-V262 WeakPolarHBondContact O-CA 3.46Å; L254-V262 HydrophobicContact CD2-CG1 4.39Å; L254-V262 HydrophobicContact CG-CG2 4.49Å; A258-V262 HydrophobicContact CB-CG2 3.98Å; V262-F296 WeakPolarHBondContact CB-O 3.41Å; V262-F296 VanDerWaalsContact CG1-O 3.31Å; V262-F296 WeakPolarHBondContact CG1-O 3.49Å; V262-N298 PolarHBondContact N-OD1 2.84Å; V262-N298 PolarHBondContact O-N 3.02Å; V262-I299 PolarHBondContact O-N 3.22Å
263	T	98.1	Very high	89.6	Confident	2 Å²	2	31.3 Å²	31.3	1%	0.012	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	153.6	175.6	79.1	0	0	0	0	111.8	M203 S235 F236 G237 L238 I299	M203-T263 HydrophobicContact CE-CG2 3.97Å; S235-T263 VanDerWaalsContact CB-CG2 3.41Å; S235-T263 WeakPolarHBondContact OG-CG2 3.25Å; F236-T263 PolarHBondContact O-N 2.95Å; G237-T263 WeakPolarHBondContact CA-O 3.31Å; G237-T263 WeakPolarHBondContact CA-OG1 3.45Å; L238-T263 PolarHBondContact N-O 3.35Å; T263-I299 VanDerWaalsContact CA-O 3.29Å; T263-I299 WeakPolarHBondContact CA-O 3.34Å; T263-I299 HydrophobicContact CG2-CB 3.62Å; T263-I299 HydrophobicContact CG2-CD1 3.62Å; T263-I299 HydrophobicContact CG2-CG1 3.94Å; T263-I299 HydrophobicContact CG2-CG2 4.41Å
264	A	97.8	Very high	87.4	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	134.4	167.9	0	0	0	0	0	110.5	L238 V251 W291 L297 I299 V300 G301	L238-A264 WeakPolarHBondContact O-CA 3.34Å; V251-A264 HydrophobicContact CG1-CB 4.41Å; V251-A264 HydrophobicContact CG2-CB 4.01Å; A264-W291 HydrophobicContact CB-CE3 4.19Å; A264-W291 HydrophobicContact CB-CZ3 3.7Å; A264-L297 HydrophobicContact CB-CD2 3.77Å; A264-I299 PolarHBondContact N-O 2.97Å; A264-V300 CarbonylContact O-C 3.44Å; A264-V300 VanDerWaalsContact O-CA 3.3Å; A264-V300 WeakPolarHBondContact O-CA 3.49Å; A264-G301 PolarHBondContact O-N 2.96Å
265	H	97.2	Very high	85.7	Confident	1 Å²	1	39 Å²	39	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	78.7	174	48.9	-74.8	0	0	0	110.1	L12 E174 S205 L238 N239 C240 G301 C303	L12-H265 HydrophobicContact CD2-CB 4.26Å; E174-H265 IonicContact OE2-NE2 3.51Å; S205-H265 PolarHBondContact OG-CE1 3.3Å; S205-H265 VanDerWaalsContact OG-CE1 3.24Å; L238-H265 PolarHBondContact O-N 3.26Å; L238-H265 VanDerWaalsContact O-N 3.15Å; N239-H265 WeakPolarHBondContact CA-O 3.29Å; N239-H265 WeakPolarHBondContact CB-CD2 3.49Å; N239-H265 WeakPolarHBondContact CB-CE1 3.27Å; N239-H265 WeakPolarHBondContact CB-NE2 3.46Å; N239-H265 WeakPolarHBondContact CB-O 3.32Å; N239-H265 PolarHBondContact ND2-NE2 2.89Å; C240-H265 PolarHBondContact N-O 3.32Å; H265-G301 WeakPolarHBondContact CA-O 3.32Å; H265-G301 VanDerWaalsContact CB-C 3.42Å; H265-C303 VanDerWaalsContact O-CB 3.3Å; H265-C303 WeakPolarHBondContact O-CB 3.2Å
266	P	94.7	Very high	84.4	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.231	C	C	.	.			trans	-68.8	159.9	-178.2	28.3	-33.4	0	0	0	111.9	P244 L247 M284 I288 W291 C303	P244-P266 HydrophobicContact CB-CB 4.42Å; P244-P266 HydrophobicContact CB-CG 4.14Å; L247-P266 HydrophobicContact CD2-CB 3.95Å; P266-M284 HydrophobicContact CG-CE 3.7Å; P266-M284 WeakPolarHBondContact O-CE 3.38Å; P266-I288 HydrophobicContact CG-CD1 4.13Å; P266-W291 HydrophobicContact CB-CH2 4.34Å; P266-W291 HydrophobicContact CG-CH2 3.82Å; P266-W291 HydrophobicContact CG-CZ3 4.17Å; P266-C303 PolarHBondContact O-N 2.76Å
267	N	90.9	Very high	83.7	Confident	5 Å²	5	37.9 Å²	37.9	3%	0.027	22%	0.219	C	C	.	.			trans	-72	166.7	167.4	61.5	-0.9	0	0	0	110.7	A241 L242 G243 P244 G269 Y277 C304	A241-N267 PolarHBondContact O-ND2 2.94Å; L242-N267 PolarHBondContact O-OD1 3.37Å; L242-N267 VanDerWaalsContact O-OD1 3.07Å; G243-N267 WeakPolarHBondContact CA-OD1 3.47Å; G243-N267 PolarHBondContact N-OD1 3.28Å; G243-N267 VanDerWaalsContact N-OD1 3.15Å; P244-N267 WeakPolarHBondContact CD-O 3.2Å; N267-G269 VanDerWaalsContact CG-O 3.28Å; N267-G269 PolarHBondContact ND2-O 3.45Å; N267-G269 VanDerWaalsContact ND2-O 3.15Å; N267-G269 PolarHBondContact O-N 2.87Å; N267-Y277 HydrophobicContact CB-CE1 4.3Å; N267-C304 CarbonylContact C-O 3.43Å; N267-C304 VanDerWaalsContact CA-O 3.28Å; N267-C304 WeakPolarHBondContact CA-O 3.41Å; N267-C304 HydrophobicContact CB-CB 4.34Å; N267-C304 VanDerWaalsContact CB-O 3.29Å; N267-C304 WeakPolarHBondContact CB-O 3.35Å
268	A	88.6	Confident	83	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.008	24%	0.244	C	C	.	.	S	Bend	trans	-76.9	51.4	172.7	0	0	0	0	0	111.7	Y277 L279 C304 T306	A268-Y277 HydrophobicContact CB-CD1 4.17Å; A268-Y277 HydrophobicContact CB-CG 4.26Å; A268-L279 VanDerWaalsContact C-CB 3.41Å; A268-L279 HydrophobicContact CB-CB 4.28Å; A268-L279 WeakPolarHBondContact O-CB 3.4Å; A268-C304 PolarHBondContact N-O 3.41Å; A268-T306 HydrophobicContact CB-CG2 4.12Å
269	G	80.9	Confident	82.6	Confident	14 Å²	14	44.2 Å²	44.2	14%	0.144	25%	0.253	C	S	.	.	S	Bend	trans	77	177.7	-172.7	0	0	0	0	0	113.5	N267 Y277	N267-G269 VanDerWaalsContact CG-O 3.28Å; N267-G269 PolarHBondContact ND2-O 3.45Å; N267-G269 VanDerWaalsContact ND2-O 3.15Å; N267-G269 PolarHBondContact O-N 2.87Å; G269-Y277 WeakPolarHBondContact O-CD1 3.46Å; G269-Y277 VanDerWaalsContact O-CE1 3.25Å; G269-Y277 WeakPolarHBondContact O-CE1 3.46Å
270	L	75.4	Confident	82.4	Confident	114 Å²	114	44.6 Å²	44.6	60%	0.597	26%	0.257	S	S	*	.	S	Bend	trans	-65.1	139.5	170.5	-69.4	174.2	0	0	0	109.6	A241 N272	A241-L270 VanDerWaalsContact O-CD2 3.3Å; A241-L270 WeakPolarHBondContact O-CD2 3.29Å; L270-N272 PolarHBondContact O-N 3.38Å
271	P	67.5	Low	82.2	Confident	60 Å²	60	44.5 Å²	44.5	39%	0.39	26%	0.258	S	S	.	.	B	Isolated β-bridge	trans	-61	140.1	172.5	26.6	-32.8	0	0	0	109.4	E276 Y277	P271-E276 CarbonylContact C-O 3.37Å; P271-E276 VanDerWaalsContact CA-O 3.27Å; P271-E276 WeakPolarHBondContact CA-O 3.44Å; P271-Y277 HydrophobicContact CB-CE1 4.23Å; P271-Y277 HydrophobicContact CB-CE2 4.46Å
272	N	67.7	Low	82	Confident	34 Å²	34	49.5 Å²	49.5	18%	0.182	29%	0.285	C	S	.	.			trans	-68.8	176.9	172.2	70	26	0	0	0	110.4	L270 F274 G275 E276 D278	L270-N272 PolarHBondContact O-N 3.38Å; N272-F274 PolarHBondContact O-N 2.79Å; N272-F274 WeakPolarHBondContact OD1-CA 3.43Å; N272-F274 WeakPolarHBondContact OD1-CB 3.47Å; N272-F274 PolarHBondContact OD1-N 3.44Å; N272-G275 PolarHBondContact O-N 3.46Å; N272-E276 VanDerWaalsContact CG-O 3.27Å; N272-E276 PolarHBondContact N-O 3.48Å; N272-E276 PolarHBondContact OD1-N 3.05Å; N272-E276 PolarHBondContact OD1-O 2.76Å; N272-D278 WeakPolarHBondContact CB-OD2 3.5Å; N272-D278 PolarHBondContact ND2-OD1 3.28Å; N272-D278 PolarHBondContact ND2-OD2 3.45Å
273	A	55.6	Low	81.7	Confident	104 Å²	104	52.3 Å²	52.3	86%	0.86	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-9.2	-178.4	0	0	0	0	0	114.8
274	F	50.5	Low	81.6	Confident	168 Å²	168	52.3 Å²	52.3	74%	0.737	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	4.2	176.5	-55.1	-73.1	0	0	0	113.7	N272 E276	N272-F274 PolarHBondContact O-N 2.79Å; N272-F274 WeakPolarHBondContact OD1-CA 3.43Å; N272-F274 WeakPolarHBondContact OD1-CB 3.47Å; N272-F274 PolarHBondContact OD1-N 3.44Å; F274-E276 VanDerWaalsContact C-N 3.26Å; F274-E276 HydrophobicContact CB-CG 4.24Å; F274-E276 PolarHBondContact O-N 2.88Å
275	G	59.9	Low	81.5	Confident	51 Å²	51	52.8 Å²	52.8	53%	0.526	31%	0.306	S	S	.	.	S	Bend	trans	76.6	11.3	-175	0	0	0	0	0	113.9	N272	N272-G275 PolarHBondContact O-N 3.46Å
276	E	70.7	Confident	81.4	Confident	62 Å²	62	60.6 Å²	60.6	29%	0.29	34%	0.341	S	S	.	.			trans	-98.2	154.1	179	-55.1	-179.5	147.5	0	0	111.1	P271 N272 F274 R893	P271-E276 CarbonylContact C-O 3.37Å; P271-E276 VanDerWaalsContact CA-O 3.27Å; P271-E276 WeakPolarHBondContact CA-O 3.44Å; N272-E276 VanDerWaalsContact CG-O 3.27Å; N272-E276 PolarHBondContact N-O 3.48Å; N272-E276 PolarHBondContact OD1-N 3.05Å; N272-E276 PolarHBondContact OD1-O 2.76Å; F274-E276 VanDerWaalsContact C-N 3.26Å; F274-E276 HydrophobicContact CB-CG 4.24Å; F274-E276 PolarHBondContact O-N 2.88Å; E276-R893 IonicContact OE1-CZ 3.56Å; E276-R893 VanDerWaalsContact OE1-CZ 3.29Å; E276-R893 IonicContact OE1-NE 2.77Å; E276-R893 IonicContact OE1-NH2 3.58Å; E276-R893 PolarHBondContact OE1-NH2 3.04Å; E276-R893 IonicContact OE2-CZ 3.32Å; E276-R893 IonicContact OE2-NE 2.69Å; E276-R893 PolarHBondContact OE2-NE 2.83Å; E276-R893 IonicContact OE2-NH1 2.7Å; E276-R893 PolarHBondContact OE2-NH1 3.17Å; E276-R893 IonicContact OE2-NH2 2.81Å; E276-R893 PolarHBondContact OE2-NH2 2.9Å; E276-R893 VanDerWaalsContact OE2-NH2 3.15Å
277	Y	79.8	Confident	81.5	Confident	67 Å²	67	62.4 Å²	62.4	26%	0.263	35%	0.349	S	S	.	.	B	Isolated β-bridge	trans	-101.6	120.4	180	-66.2	-93.6	0	0	0	110.6	N267 A268 G269 P271 C304	N267-Y277 HydrophobicContact CB-CE1 4.3Å; A268-Y277 HydrophobicContact CB-CD1 4.17Å; A268-Y277 HydrophobicContact CB-CG 4.26Å; G269-Y277 WeakPolarHBondContact O-CD1 3.46Å; G269-Y277 VanDerWaalsContact O-CE1 3.25Å; G269-Y277 WeakPolarHBondContact O-CE1 3.46Å; P271-Y277 HydrophobicContact CB-CE1 4.23Å; P271-Y277 HydrophobicContact CB-CE2 4.46Å; Y277-C304 HydrophobicContact CE1-CB 4.07Å; Y277-C304 HydrophobicContact CE2-CB 4.2Å; Y277-C304 WeakPolarHBondContact OH-CB 3.39Å
278	D	81.3	Confident	81.8	Confident	111 Å²	111	62.2 Å²	62.2	59%	0.594	35%	0.348	S	S	*	.			trans	-90.3	-16.2	-174	-72.5	-25.7	0	0	0	113.5	N272 D280	N272-D278 WeakPolarHBondContact CB-OD2 3.5Å; N272-D278 PolarHBondContact ND2-OD1 3.28Å; N272-D278 PolarHBondContact ND2-OD2 3.45Å; D278-D280 PolarHBondContact O-N 2.92Å
279	L	87.9	Confident	82.2	Confident	34 Å²	34	66.8 Å²	66.8	18%	0.178	37%	0.365	C	S	.	.			trans	-72.1	115.7	179.7	-172.7	66.6	0	0	0	109.9	P244 A268 T283 M284 H310	P244-L279 HydrophobicContact CG-CD2 3.51Å; A268-L279 VanDerWaalsContact C-CB 3.41Å; A268-L279 HydrophobicContact CB-CB 4.28Å; A268-L279 WeakPolarHBondContact O-CB 3.4Å; L279-T283 HydrophobicContact CD1-CG2 3.54Å; L279-M284 HydrophobicContact CD2-CB 3.95Å; L279-M284 HydrophobicContact CD2-CG 4.14Å; L279-M284 HydrophobicContact CG-CB 4.18Å; L279-H310 PolarHBondContact O-NE2 3.44Å; L279-H310 VanDerWaalsContact O-NE2 3.16Å
280	D	91.4	Very high	82.9	Confident	75 Å²	75	69.3 Å²	69.3	40%	0.401	37%	0.373	S	S	.	.			trans	-80.4	162.4	179	72.3	86	0	0	0	113	D278 D282 T283 M284	D278-D280 PolarHBondContact O-N 2.92Å; D280-D282 VanDerWaalsContact C-N 3.32Å; D280-D282 PolarHBondContact O-N 2.89Å; D280-D282 WeakPolarHBondContact OD1-CA 3.36Å; D280-D282 WeakPolarHBondContact OD1-CB 3.46Å; D280-D282 PolarHBondContact OD1-N 3.34Å; D280-T283 PolarHBondContact O-N 2.71Å; D280-T283 PolarHBondContact OD1-N 2.86Å; D280-T283 PolarHBondContact OD1-OG1 2.92Å; D280-T283 WeakPolarHBondContact OD2-CB 3.49Å; D280-T283 PolarHBondContact OD2-OG1 3.28Å; D280-M284 WeakPolarHBondContact O-CB 3.16Å; D280-M284 PolarHBondContact O-N 3.18Å
281	A	94.2	Very high	84	Confident	18 Å²	18	64 Å²	64	15%	0.149	35%	0.345	C	S	.	.	H	α-helix	trans	-59.4	-35.7	-177.5	0	0	0	0	0	114.2	A285 H310 A313	A281-A285 WeakPolarHBondContact O-CB 3.46Å; A281-A285 PolarHBondContact O-N 3.03Å; A281-H310 VanDerWaalsContact CA-CD2 3.49Å; A281-H310 WeakPolarHBondContact CA-CD2 3.33Å; A281-H310 HydrophobicContact CB-CB 4.43Å; A281-H310 PolarHBondContact N-NE2 2.98Å; A281-A313 HydrophobicContact CB-CB 3.94Å; A281-A313 WeakPolarHBondContact O-CB 3.36Å
282	D	93.7	Very high	85.4	Confident	118 Å²	118	61.3 Å²	61.3	63%	0.631	33%	0.328	S	S	*	.	H	α-helix	trans	-74.9	-41	-178.2	-70.9	-29.7	0	0	0	110.7	D280 A285 K286	D280-D282 VanDerWaalsContact C-N 3.32Å; D280-D282 PolarHBondContact O-N 2.89Å; D280-D282 WeakPolarHBondContact OD1-CA 3.36Å; D280-D282 WeakPolarHBondContact OD1-CB 3.46Å; D280-D282 PolarHBondContact OD1-N 3.34Å; D282-A285 PolarHBondContact O-N 3.48Å; D282-K286 PolarHBondContact O-N 2.92Å
283	T	92.7	Very high	86.8	Confident	60 Å²	60	65.6 Å²	65.6	37%	0.368	35%	0.347	S	S	.	.	H	α-helix	trans	-64.1	-47.7	175.5	-58	0	0	0	0	111	L279 D280 A285 K286 Q287	L279-T283 HydrophobicContact CD1-CG2 3.54Å; D280-T283 PolarHBondContact O-N 2.71Å; D280-T283 PolarHBondContact OD1-N 2.86Å; D280-T283 PolarHBondContact OD1-OG1 2.92Å; D280-T283 WeakPolarHBondContact OD2-CB 3.49Å; D280-T283 PolarHBondContact OD2-OG1 3.28Å; T283-A285 PolarHBondContact O-N 3.34Å; T283-K286 WeakPolarHBondContact O-CB 3.48Å; T283-K286 PolarHBondContact O-N 3.46Å; T283-Q287 PolarHBondContact O-N 2.9Å
284	M	94.7	Very high	88.7	Confident	1 Å²	1	62.8 Å²	62.8	1%	0.005	32%	0.324	C	S	.	.	H	α-helix	trans	-59.7	-46.2	175.9	-170.6	-178.7	-172	0	0	111.3	P244 P266 L279 D280 K286 Q287 I288 T306 H310 M314	P244-M284 HydrophobicContact CG-CG 4.34Å; P266-M284 HydrophobicContact CG-CE 3.7Å; P266-M284 WeakPolarHBondContact O-CE 3.38Å; L279-M284 HydrophobicContact CD2-CB 3.95Å; L279-M284 HydrophobicContact CD2-CG 4.14Å; L279-M284 HydrophobicContact CG-CB 4.18Å; D280-M284 WeakPolarHBondContact O-CB 3.16Å; D280-M284 PolarHBondContact O-N 3.18Å; M284-K286 VanDerWaalsContact C-N 3.29Å; M284-K286 PolarHBondContact O-N 3.48Å; M284-Q287 PolarHBondContact O-N 3.38Å; M284-Q287 VanDerWaalsContact O-N 3.16Å; M284-I288 HydrophobicContact CG-CG1 4.47Å; M284-I288 WeakPolarHBondContact O-CG1 3.39Å; M284-I288 PolarHBondContact O-N 3.01Å; M284-T306 HydrophobicContact CE-CG2 3.76Å; M284-T306 HydrophobicContact SD-CG2 3.94Å; M284-H310 HydrophobicContact SD-CB 4.41Å; M284-M314 HydrophobicContact CE-CE 3.97Å; M284-M314 HydrophobicContact CE-SD 4.01Å; M284-M314 HydrophobicContact SD-CE 4.05Å; M284-M314 HydrophobicContact SD-SD 4.35Å
285	A	96	Very high	90.9	Very high	10 Å²	10	56 Å²	56	8%	0.083	30%	0.302	C	S	.	.	H	α-helix	trans	-61.3	-35	178.5	0	0	0	0	0	113	A281 D282 T283 R289 A313 A317	A281-A285 WeakPolarHBondContact O-CB 3.46Å; A281-A285 PolarHBondContact O-N 3.03Å; D282-A285 PolarHBondContact O-N 3.48Å; T283-A285 PolarHBondContact O-N 3.34Å; A285-R289 WeakPolarHBondContact O-CB 3.44Å; A285-R289 PolarHBondContact O-N 3.38Å; A285-A313 HydrophobicContact CB-CB 3.76Å; A285-A317 HydrophobicContact CB-CB 4.02Å; A285-A317 WeakPolarHBondContact O-CB 3.49Å
286	K	95.7	Very high	92.7	Very high	166 Å²	166	54.6 Å²	54.6	72%	0.722	28%	0.281	S	S	*	.	H	α-helix	trans	-63.6	-42	175	-176.7	-177.5	175	-173	0	112	D282 T283 M284 E290	D282-K286 PolarHBondContact O-N 2.92Å; T283-K286 WeakPolarHBondContact O-CB 3.48Å; T283-K286 PolarHBondContact O-N 3.46Å; M284-K286 VanDerWaalsContact C-N 3.29Å; M284-K286 PolarHBondContact O-N 3.48Å; K286-E290 PolarHBondContact O-N 3.19Å
287	Q	95.5	Very high	94	Very high	38 Å²	38	51.7 Å²	51.7	18%	0.178	27%	0.267	C	S	.	.	H	α-helix	trans	-69.6	-44.3	178.3	-69.4	166.8	-52.8	0	0	111.1	P244 T283 M284 R289 E290 W291	P244-Q287 HydrophobicContact CB-CB 4.06Å; P244-Q287 HydrophobicContact CG-CB 4.46Å; T283-Q287 PolarHBondContact O-N 2.9Å; M284-Q287 PolarHBondContact O-N 3.38Å; M284-Q287 VanDerWaalsContact O-N 3.16Å; Q287-R289 VanDerWaalsContact C-N 3.33Å; Q287-R289 PolarHBondContact O-N 3.3Å; Q287-E290 WeakPolarHBondContact O-CB 3.31Å; Q287-E290 PolarHBondContact O-N 2.94Å; Q287-E290 VanDerWaalsContact O-N 3.11Å; Q287-W291 VanDerWaalsContact O-CD1 3.25Å; Q287-W291 PolarHBondContact O-N 3.03Å
288	I	97.1	Very high	94.9	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-61.3	-40.3	175.2	-67.4	-54.5	0	0	0	112.1	P266 M284 E290 W291 A292 V300 M314 V318	P266-I288 HydrophobicContact CG-CD1 4.13Å; M284-I288 HydrophobicContact CG-CG1 4.47Å; M284-I288 WeakPolarHBondContact O-CG1 3.39Å; M284-I288 PolarHBondContact O-N 3.01Å; I288-E290 PolarHBondContact O-N 3.44Å; I288-W291 HydrophobicContact CD1-CD2 4.14Å; I288-W291 HydrophobicContact CD1-CE3 3.67Å; I288-W291 HydrophobicContact CD1-CH2 3.87Å; I288-W291 HydrophobicContact CD1-CZ2 4.25Å; I288-W291 HydrophobicContact CD1-CZ3 3.54Å; I288-W291 PolarHBondContact O-N 2.92Å; I288-A292 PolarHBondContact O-N 3.26Å; I288-V300 HydrophobicContact CD1-CG2 3.93Å; I288-V300 HydrophobicContact CG1-CG2 4.34Å; I288-V300 HydrophobicContact CG2-CG1 4.41Å; I288-V300 HydrophobicContact CG2-CG2 3.72Å; I288-M314 HydrophobicContact CB-CG 4.42Å; I288-M314 HydrophobicContact CG1-CG 4.13Å; I288-M314 HydrophobicContact CG1-SD 3.92Å; I288-M314 HydrophobicContact CG2-CG 4.35Å; I288-V318 HydrophobicContact CG2-CG1 3.88Å
289	R	97.5	Very high	95.7	Very high	97 Å²	97	43.2 Å²	43.2	37%	0.366	23%	0.227	S	C	.	.	H	α-helix	trans	-58	-39.5	175	-171.2	169.3	-176.8	93.6	-5.6	111.5	A285 Q287 A292 Q293 A317 L321	A285-R289 WeakPolarHBondContact O-CB 3.44Å; A285-R289 PolarHBondContact O-N 3.38Å; Q287-R289 VanDerWaalsContact C-N 3.33Å; Q287-R289 PolarHBondContact O-N 3.3Å; R289-A292 PolarHBondContact O-N 3.15Å; R289-Q293 HydrophobicContact CG-CG 4.43Å; R289-Q293 WeakPolarHBondContact O-CB 3.31Å; R289-Q293 VanDerWaalsContact O-CG 3.25Å; R289-Q293 WeakPolarHBondContact O-CG 3.18Å; R289-Q293 PolarHBondContact O-N 3.21Å; R289-A317 HydrophobicContact CB-CB 4.15Å; R289-A317 PolarHBondContact NH1-O 2.87Å; R289-L321 HydrophobicContact CG-CD1 4.2Å
290	E	97.1	Very high	96.2	Very high	68 Å²	68	41.7 Å²	41.7	32%	0.318	22%	0.219	S	C	.	.	H	α-helix	trans	-64.4	-43.9	177.5	-171.4	-82.4	148.8	0	0	111.4	R248 K286 Q287 I288 A292 Q293 A294	R248-E290 WeakPolarHBondContact CD-OE2 3.36Å; R248-E290 IonicContact CZ-OE1 2.95Å; R248-E290 IonicContact CZ-OE2 3.28Å; R248-E290 IonicContact NE-OE1 2.74Å; R248-E290 PolarHBondContact NE-OE1 2.84Å; R248-E290 IonicContact NE-OE2 3.35Å; R248-E290 PolarHBondContact NE-OE2 2.98Å; R248-E290 IonicContact NH2-OE1 2.74Å; R248-E290 PolarHBondContact NH2-OE1 3.28Å; R248-E290 IonicContact NH2-OE2 2.7Å; K286-E290 PolarHBondContact O-N 3.19Å; Q287-E290 WeakPolarHBondContact O-CB 3.31Å; Q287-E290 PolarHBondContact O-N 2.94Å; Q287-E290 VanDerWaalsContact O-N 3.11Å; I288-E290 PolarHBondContact O-N 3.44Å; E290-A292 VanDerWaalsContact C-N 3.33Å; E290-A292 PolarHBondContact O-N 3.01Å; E290-Q293 PolarHBondContact O-N 3.11Å; E290-A294 WeakPolarHBondContact O-CB 3.15Å; E290-A294 PolarHBondContact O-N 3.26Å
291	W	97.1	Very high	96.5	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.008	20%	0.199	C	C	.	.	H	α-helix	trans	-62.7	-40.9	176.6	-57.4	0.5	0	0	0	112.3	P244 L247 R248 V251 A264 P266 Q287 I288 A294 G295 F296 L297	P244-W291 VanDerWaalsContact CA-CZ2 3.43Å; P244-W291 HydrophobicContact CB-CH2 3.78Å; P244-W291 HydrophobicContact CB-CZ2 3.47Å; P244-W291 VanDerWaalsContact CB-CZ2 3.47Å; P244-W291 WeakPolarHBondContact O-CZ2 3.45Å; L247-W291 HydrophobicContact CB-CH2 4.44Å; L247-W291 HydrophobicContact CD2-CH2 4.47Å; R248-W291 HydrophobicContact CB-CZ2 4.39Å; V251-W291 HydrophobicContact CG1-CE3 4.34Å; V251-W291 HydrophobicContact CG2-CE3 4.47Å; V251-W291 HydrophobicContact CG2-CZ3 4.17Å; A264-W291 HydrophobicContact CB-CE3 4.19Å; A264-W291 HydrophobicContact CB-CZ3 3.7Å; P266-W291 HydrophobicContact CB-CH2 4.34Å; P266-W291 HydrophobicContact CG-CH2 3.82Å; P266-W291 HydrophobicContact CG-CZ3 4.17Å; Q287-W291 VanDerWaalsContact O-CD1 3.25Å; Q287-W291 PolarHBondContact O-N 3.03Å; I288-W291 HydrophobicContact CD1-CD2 4.14Å; I288-W291 HydrophobicContact CD1-CE3 3.67Å; I288-W291 HydrophobicContact CD1-CH2 3.87Å; I288-W291 HydrophobicContact CD1-CZ2 4.25Å; I288-W291 HydrophobicContact CD1-CZ3 3.54Å; I288-W291 PolarHBondContact O-N 2.92Å; W291-A294 PolarHBondContact O-N 2.95Å; W291-G295 PolarHBondContact O-N 2.75Å; W291-G295 VanDerWaalsContact O-N 3.14Å; W291-F296 HydrophobicContact CB-CD2 4.16Å; W291-F296 PolarHBondContact O-N 3Å; W291-F296 VanDerWaalsContact O-N 3.09Å; W291-L297 HydrophobicContact CB-CD1 3.81Å; W291-L297 HydrophobicContact CB-CG 4.18Å; W291-L297 HydrophobicContact CE3-CD1 4.02Å; W291-L297 HydrophobicContact CE3-CD2 4.26Å
292	A	97.1	Very high	96.6	Very high	4 Å²	4	37.3 Å²	37.3	3%	0.033	19%	0.193	C	C	.	.	H	α-helix	trans	-64.3	-41.4	176.2	0	0	0	0	0	111.4	I9 I288 R289 E290 G295 V318 L321	I9-A292 HydrophobicContact CD1-CB 3.62Å; I288-A292 PolarHBondContact O-N 3.26Å; R289-A292 PolarHBondContact O-N 3.15Å; E290-A292 VanDerWaalsContact C-N 3.33Å; E290-A292 PolarHBondContact O-N 3.01Å; A292-G295 PolarHBondContact O-N 3.47Å; A292-G295 VanDerWaalsContact O-N 3.13Å; A292-V318 HydrophobicContact CB-CG1 4.04Å; A292-L321 HydrophobicContact CB-CB 4.5Å; A292-L321 HydrophobicContact CB-CD1 3.53Å
293	Q	97.5	Very high	96.5	Very high	123 Å²	123	32.4 Å²	32.4	58%	0.575	17%	0.168	S	C	*	.	H	α-helix	trans	-67.5	-34	174.9	-74.7	177.7	-33.8	0	0	113	R289 E290 G295 L321	R289-Q293 HydrophobicContact CG-CG 4.43Å; R289-Q293 WeakPolarHBondContact O-CB 3.31Å; R289-Q293 VanDerWaalsContact O-CG 3.25Å; R289-Q293 WeakPolarHBondContact O-CG 3.18Å; R289-Q293 PolarHBondContact O-N 3.21Å; E290-Q293 PolarHBondContact O-N 3.11Å; Q293-G295 PolarHBondContact O-N 3.08Å; Q293-L321 HydrophobicContact CG-CD1 3.92Å; Q293-L321 HydrophobicContact CG-CD2 4.13Å
294	A	96.2	Very high	96.4	Very high	45 Å²	45	31.6 Å²	31.6	37%	0.372	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-10.6	173.2	0	0	0	0	0	112.8	E290 W291 F296	E290-A294 WeakPolarHBondContact O-CB 3.15Å; E290-A294 PolarHBondContact O-N 3.26Å; W291-A294 PolarHBondContact O-N 2.95Å; A294-F296 HydrophobicContact CB-CD1 4.11Å; A294-F296 HydrophobicContact CB-CD2 4.01Å; A294-F296 HydrophobicContact CB-CE1 3.75Å; A294-F296 HydrophobicContact CB-CE2 3.65Å; A294-F296 HydrophobicContact CB-CG 4.22Å; A294-F296 HydrophobicContact CB-CZ 3.51Å
295	G	96.5	Very high	96.1	Very high	27 Å²	27	31.9 Å²	31.9	28%	0.278	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	80	29	175.4	0	0	0	0	0	114.1	W291 A292 Q293 R324	W291-G295 PolarHBondContact O-N 2.75Å; W291-G295 VanDerWaalsContact O-N 3.14Å; A292-G295 PolarHBondContact O-N 3.47Å; A292-G295 VanDerWaalsContact O-N 3.13Å; Q293-G295 PolarHBondContact O-N 3.08Å; G295-R324 WeakPolarHBondContact O-CB 3.38Å; G295-R324 VanDerWaalsContact O-CG 3.29Å; G295-R324 WeakPolarHBondContact O-CG 3.49Å
296	F	97.6	Very high	96	Very high	21 Å²	21	31.4 Å²	31.4	9%	0.092	16%	0.163	C	C	.	.			trans	-87.1	-20.3	-176.1	-57.6	-24.4	0	0	0	114.8	V251 Q252 V262 W291 A294 R324	V251-F296 HydrophobicContact CG1-CB 4.01Å; Q252-F296 HydrophobicContact CB-CD2 4.33Å; Q252-F296 HydrophobicContact CB-CE1 4.17Å; Q252-F296 HydrophobicContact CB-CE2 3.77Å; Q252-F296 HydrophobicContact CB-CZ 3.68Å; Q252-F296 HydrophobicContact CG-CE1 3.91Å; Q252-F296 HydrophobicContact CG-CE2 4.24Å; Q252-F296 HydrophobicContact CG-CZ 3.61Å; V262-F296 WeakPolarHBondContact CB-O 3.41Å; V262-F296 VanDerWaalsContact CG1-O 3.31Å; V262-F296 WeakPolarHBondContact CG1-O 3.49Å; W291-F296 HydrophobicContact CB-CD2 4.16Å; W291-F296 PolarHBondContact O-N 3Å; W291-F296 VanDerWaalsContact O-N 3.09Å; A294-F296 HydrophobicContact CB-CD1 4.11Å; A294-F296 HydrophobicContact CB-CD2 4.01Å; A294-F296 HydrophobicContact CB-CE1 3.75Å; A294-F296 HydrophobicContact CB-CE2 3.65Å; A294-F296 HydrophobicContact CB-CG 4.22Å; A294-F296 HydrophobicContact CB-CZ 3.51Å; F296-R324 WeakPolarHBondContact O-CD 3.25Å
297	L	97.9	Very high	96	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.137	C	C	.	.			trans	-118.1	146.5	-162.7	-57.3	175.7	0	0	0	113.7	V251 A264 W291 V300 R324	V251-L297 HydrophobicContact CG1-CD2 3.79Å; A264-L297 HydrophobicContact CB-CD2 3.77Å; W291-L297 HydrophobicContact CB-CD1 3.81Å; W291-L297 HydrophobicContact CB-CG 4.18Å; W291-L297 HydrophobicContact CE3-CD1 4.02Å; W291-L297 HydrophobicContact CE3-CD2 4.26Å; L297-V300 HydrophobicContact CD1-CB 4.2Å; L297-V300 HydrophobicContact CD1-CG2 4.21Å; L297-R324 PolarHBondContact O-N 2.89Å
298	N	98.5	Very high	96.1	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.135	C	C	.	.	S	Bend	trans	-116.3	-29	163.5	-61.5	102.2	0	0	0	112	L5 I9 L10 Y261 V262 R324	L5-N298 HydrophobicContact CD2-CB 4.14Å; I9-N298 WeakPolarHBondContact CA-O 3.36Å; L10-N298 PolarHBondContact N-O 3.22Å; Y261-N298 WeakPolarHBondContact CA-OD1 3.41Å; Y261-N298 HydrophobicContact CD1-CB 4.08Å; Y261-N298 VanDerWaalsContact CD1-CG 3.47Å; Y261-N298 WeakPolarHBondContact CD1-ND2 3.41Å; Y261-N298 HydrophobicContact CG-CB 4.3Å; V262-N298 PolarHBondContact N-OD1 2.84Å; V262-N298 PolarHBondContact O-N 3.02Å; N298-R324 PolarHBondContact ND2-O 3.27Å
299	I	98.5	Very high	96.1	Very high	1 Å²	1	30 Å²	30	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	139.9	174.7	-52.8	168.8	0	0	0	108.5	M1 L5 L10 L12 I71 M203 V262 T263 A264	M1-I299 HydrophobicContact CE-CD1 3.95Å; L5-I299 HydrophobicContact CD2-CD1 3.83Å; L5-I299 HydrophobicContact CD2-CG1 3.46Å; L5-I299 VanDerWaalsContact CD2-CG1 3.46Å; L10-I299 HydrophobicContact CB-CG1 4.26Å; L10-I299 CarbonylContact O-C 3.2Å; L10-I299 VanDerWaalsContact O-CA 3.3Å; L10-I299 WeakPolarHBondContact O-CA 3.37Å; L12-I299 HydrophobicContact CB-CG2 4.04Å; I71-I299 HydrophobicContact CD1-CD1 4.14Å; I71-I299 HydrophobicContact CD1-CG2 4.02Å; M203-I299 HydrophobicContact CE-CD1 3.94Å; M203-I299 HydrophobicContact SD-CD1 4.11Å; V262-I299 PolarHBondContact O-N 3.22Å; T263-I299 VanDerWaalsContact CA-O 3.29Å; T263-I299 WeakPolarHBondContact CA-O 3.34Å; T263-I299 HydrophobicContact CG2-CB 3.62Å; T263-I299 HydrophobicContact CG2-CD1 3.62Å; T263-I299 HydrophobicContact CG2-CG1 3.94Å; T263-I299 HydrophobicContact CG2-CG2 4.41Å; A264-I299 PolarHBondContact N-O 2.97Å
300	V	98.2	Very high	96.2	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.006	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	142.1	173.4	67.9	0	0	0	0	111.4	I9 L10 V11 L12 A264 I288 L297 M314 V318	I9-V300 HydrophobicContact CG2-CG1 4.14Å; L10-V300 PolarHBondContact O-N 3.2Å; V11-V300 CarbonylContact C-O 3.54Å; V11-V300 VanDerWaalsContact CA-O 3.29Å; V11-V300 WeakPolarHBondContact CA-O 3.31Å; L12-V300 PolarHBondContact N-O 3.18Å; A264-V300 CarbonylContact O-C 3.44Å; A264-V300 VanDerWaalsContact O-CA 3.3Å; A264-V300 WeakPolarHBondContact O-CA 3.49Å; I288-V300 HydrophobicContact CD1-CG2 3.93Å; I288-V300 HydrophobicContact CG1-CG2 4.34Å; I288-V300 HydrophobicContact CG2-CG1 4.41Å; I288-V300 HydrophobicContact CG2-CG2 3.72Å; L297-V300 HydrophobicContact CD1-CB 4.2Å; L297-V300 HydrophobicContact CD1-CG2 4.21Å; V300-M314 HydrophobicContact CG2-SD 4.21Å; V300-V318 HydrophobicContact CG1-CG1 3.99Å; V300-V318 HydrophobicContact CG1-CG2 4.41Å
301	G	97.4	Very high	96.2	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.135	C	C	.	.			trans	-147.7	-161	175.9	0	0	0	0	0	112.4	A264 H265	A264-G301 PolarHBondContact O-N 2.96Å; H265-G301 WeakPolarHBondContact CA-O 3.32Å; H265-G301 VanDerWaalsContact CB-C 3.42Å
302	G	95.6	Very high	96.3	Very high	1 Å²	1	24 Å²	24	1%	0.01	14%	0.143	C	C	.	.			trans	-134.9	146.9	174.3	0	0	0	0	0	112.6	D13 G14 T306	D13-G302 PolarHBondContact O-N 3.44Å; G14-G302 CarbonylContact C-O 3.59Å; G14-G302 VanDerWaalsContact CA-O 3.24Å; G14-G302 WeakPolarHBondContact CA-O 3.2Å; G302-T306 WeakPolarHBondContact CA-OG1 3.42Å; G302-T306 PolarHBondContact O-OG1 3.4Å
303	C	93.2	Very high	96.3	Very high	16 Å²	16	24 Å²	24	11%	0.108	14%	0.143	C	C	.	.			trans	-105.6	-138	174.3	-167.6	0	0	0	0	110.2	G15 C240 H265 P266 G305 T306	G15-C303 VanDerWaalsContact CA-O 3.31Å; G15-C303 WeakPolarHBondContact CA-O 3.49Å; G15-C303 PolarHBondContact N-O 3.23Å; C240-C303 HydrophobicContact CB-CB 4.38Å; C240-C303 VanDerWaalsContact SG-SG 3.68Å; H265-C303 VanDerWaalsContact O-CB 3.3Å; H265-C303 WeakPolarHBondContact O-CB 3.2Å; P266-C303 PolarHBondContact O-N 2.76Å; C303-G305 PolarHBondContact O-N 3.47Å; C303-T306 PolarHBondContact N-OG1 3.05Å; C303-T306 WeakPolarHBondContact O-CB 3.2Å; C303-T306 PolarHBondContact O-N 2.9Å; C303-T306 PolarHBondContact O-OG1 3.29Å
304	C	88.7	Confident	96.3	Very high	43 Å²	43	18.1 Å²	18.1	29%	0.291	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	138.9	-177.8	-50.9	0	0	0	0	112.7	N267 A268 Y277 T306	N267-C304 CarbonylContact C-O 3.43Å; N267-C304 VanDerWaalsContact CA-O 3.28Å; N267-C304 WeakPolarHBondContact CA-O 3.41Å; N267-C304 HydrophobicContact CB-CB 4.34Å; N267-C304 VanDerWaalsContact CB-O 3.29Å; N267-C304 WeakPolarHBondContact CB-O 3.35Å; A268-C304 PolarHBondContact N-O 3.41Å; Y277-C304 HydrophobicContact CE1-CB 4.07Å; Y277-C304 HydrophobicContact CE2-CB 4.2Å; Y277-C304 WeakPolarHBondContact OH-CB 3.39Å; C304-T306 PolarHBondContact O-N 3.49Å
305	G	88.9	Confident	96.4	Very high	7 Å²	7	17.3 Å²	17.3	7%	0.072	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.6	-11.6	-179.5	0	0	0	0	0	115.2	T18 C303	T18-G305 PolarHBondContact OG1-N 2.88Å; C303-G305 PolarHBondContact O-N 3.47Å
306	T	94.5	Very high	96.5	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.12	C	C	.	.			trans	-87.2	144.4	-178.5	68.9	0	0	0	0	112	G14 G15 Y64 A268 M284 G302 C303 C304	G14-T306 VanDerWaalsContact CA-OG1 3.31Å; G14-T306 WeakPolarHBondContact CA-OG1 3.22Å; G15-T306 PolarHBondContact N-O 2.82Å; G15-T306 PolarHBondContact N-OG1 2.88Å; Y64-T306 PolarHBondContact OH-O 2.81Å; A268-T306 HydrophobicContact CB-CG2 4.12Å; M284-T306 HydrophobicContact CE-CG2 3.76Å; M284-T306 HydrophobicContact SD-CG2 3.94Å; G302-T306 WeakPolarHBondContact CA-OG1 3.42Å; G302-T306 PolarHBondContact O-OG1 3.4Å; C303-T306 PolarHBondContact N-OG1 3.05Å; C303-T306 WeakPolarHBondContact O-CB 3.2Å; C303-T306 PolarHBondContact O-N 2.9Å; C303-T306 PolarHBondContact O-OG1 3.29Å; C304-T306 PolarHBondContact O-N 3.49Å
307	T	95.9	Very high	96.4	Very high	27 Å²	27	22.5 Å²	22.5	17%	0.166	12%	0.12	C	C	.	.			trans	-130.8	171.8	-172.1	68.4	0	0	0	0	110.6	T18 Q309 H310 I311	T18-T307 HydrophobicContact CG2-CG2 4.47Å; T307-Q309 VanDerWaalsContact CB-OE1 3.24Å; T307-Q309 PolarHBondContact O-N 3.46Å; T307-Q309 VanDerWaalsContact O-N 3.08Å; T307-Q309 PolarHBondContact OG1-N 3.47Å; T307-Q309 PolarHBondContact OG1-OE1 3.31Å; T307-H310 PolarHBondContact N-ND1 3.03Å; T307-H310 VanDerWaalsContact N-ND1 3.18Å; T307-H310 WeakPolarHBondContact O-CA 3.41Å; T307-H310 WeakPolarHBondContact O-CB 3.36Å; T307-H310 PolarHBondContact O-N 3.19Å; T307-H310 PolarHBondContact OG1-ND1 3.5Å; T307-I311 PolarHBondContact O-N 3.49Å; T307-I311 VanDerWaalsContact O-N 3.08Å
308	P	98	Very high	96.4	Very high	21 Å²	21	22.9 Å²	22.9	14%	0.136	12%	0.122	C	C	.	.	H	α-helix	trans	-51.2	-32.2	172.8	-31.9	37.5	0	0	0	114	M19 A63 Y64 A67 I311 A312	M19-P308 HydrophobicContact CE-CG 4.06Å; M19-P308 WeakPolarHBondContact SD-CD 3.2Å; M19-P308 HydrophobicContact SD-CG 4.24Å; A63-P308 HydrophobicContact CB-CG 3.89Å; Y64-P308 HydrophobicContact CD1-CG 4.03Å; Y64-P308 HydrophobicContact CE1-CG 3.98Å; A67-P308 HydrophobicContact CB-CB 3.93Å; A67-P308 WeakPolarHBondContact CB-O 3.3Å; P308-I311 PolarHBondContact O-N 3.28Å; P308-A312 WeakPolarHBondContact O-CB 3.43Å; P308-A312 PolarHBondContact O-N 2.87Å
309	Q	97.3	Very high	96.3	Very high	127 Å²	127	29.9 Å²	29.9	59%	0.593	15%	0.154	S	C	*	.	H	α-helix	trans	-64.5	-40.2	174.1	-62.4	81.6	5.3	0	0	112.5	T307 A313	T307-Q309 VanDerWaalsContact CB-OE1 3.24Å; T307-Q309 PolarHBondContact O-N 3.46Å; T307-Q309 VanDerWaalsContact O-N 3.08Å; T307-Q309 PolarHBondContact OG1-N 3.47Å; T307-Q309 PolarHBondContact OG1-OE1 3.31Å; Q309-A313 WeakPolarHBondContact O-CB 3.44Å; Q309-A313 PolarHBondContact O-N 3.02Å
310	H	97.8	Very high	96.1	Very high	18 Å²	18	33.9 Å²	33.9	8%	0.083	20%	0.196	C	C	.	.	H	α-helix	trans	-64.9	-46.2	175.5	-65.2	83.3	0	0	0	111.1	L279 A281 M284 T307 A312 A313 M314	L279-H310 PolarHBondContact O-NE2 3.44Å; L279-H310 VanDerWaalsContact O-NE2 3.16Å; A281-H310 VanDerWaalsContact CA-CD2 3.49Å; A281-H310 WeakPolarHBondContact CA-CD2 3.33Å; A281-H310 HydrophobicContact CB-CB 4.43Å; A281-H310 PolarHBondContact N-NE2 2.98Å; M284-H310 HydrophobicContact SD-CB 4.41Å; T307-H310 PolarHBondContact N-ND1 3.03Å; T307-H310 VanDerWaalsContact N-ND1 3.18Å; T307-H310 WeakPolarHBondContact O-CA 3.41Å; T307-H310 WeakPolarHBondContact O-CB 3.36Å; T307-H310 PolarHBondContact O-N 3.19Å; T307-H310 PolarHBondContact OG1-ND1 3.5Å; H310-A312 VanDerWaalsContact C-N 3.35Å; H310-A312 PolarHBondContact O-N 2.92Å; H310-A313 PolarHBondContact O-N 3.3Å; H310-M314 HydrophobicContact CB-CE 4.11Å; H310-M314 WeakPolarHBondContact O-CB 3.42Å; H310-M314 WeakPolarHBondContact O-CG 3.32Å; H310-M314 PolarHBondContact O-N 3.28Å
311	I	98.3	Very high	96.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-62.3	-42.3	178.4	-58.8	-60.1	0	0	0	111.2	V11 D13 Y64 A67 A69 T307 P308 A313 M314 S315	V11-I311 HydrophobicContact CG1-CG2 3.78Å; D13-I311 VanDerWaalsContact C-CD1 3.41Å; D13-I311 VanDerWaalsContact O-CD1 3.26Å; D13-I311 WeakPolarHBondContact O-CD1 3.38Å; Y64-I311 HydrophobicContact CD1-CB 4.34Å; Y64-I311 HydrophobicContact CD1-CG1 3.69Å; Y64-I311 HydrophobicContact CE1-CG1 3.73Å; A67-I311 HydrophobicContact CB-CB 4.1Å; A67-I311 HydrophobicContact CB-CG2 4.11Å; A69-I311 HydrophobicContact CB-CG2 4.35Å; T307-I311 PolarHBondContact O-N 3.49Å; T307-I311 VanDerWaalsContact O-N 3.08Å; P308-I311 PolarHBondContact O-N 3.28Å; I311-A313 PolarHBondContact O-N 3.38Å; I311-M314 HydrophobicContact CD1-CE 3.67Å; I311-M314 PolarHBondContact O-N 3.16Å; I311-S315 WeakPolarHBondContact O-CB 3.42Å; I311-S315 PolarHBondContact O-N 3.42Å
312	A	98.3	Very high	96	Very high	21 Å²	21	39 Å²	39	17%	0.174	23%	0.234	C	C	.	.	H	α-helix	trans	-64.6	-38.4	175.5	0	0	0	0	0	112.8	A67 P308 H310 R316	A67-A312 HydrophobicContact CB-CB 4.16Å; A67-A312 WeakPolarHBondContact O-CA 3.38Å; P308-A312 WeakPolarHBondContact O-CB 3.43Å; P308-A312 PolarHBondContact O-N 2.87Å; H310-A312 VanDerWaalsContact C-N 3.35Å; H310-A312 PolarHBondContact O-N 2.92Å; A312-R316 WeakPolarHBondContact O-CG 3.42Å; A312-R316 PolarHBondContact O-N 3.01Å; A312-R316 PolarHBondContact O-NH1 3.01Å
313	A	98.1	Very high	96.1	Very high	4 Å²	4	40 Å²	40	3%	0.033	24%	0.24	C	C	.	.	H	α-helix	trans	-67.8	-43.9	176	0	0	0	0	0	111.8	A281 A285 Q309 H310 I311 R316 A317	A281-A313 HydrophobicContact CB-CB 3.94Å; A281-A313 WeakPolarHBondContact O-CB 3.36Å; A285-A313 HydrophobicContact CB-CB 3.76Å; Q309-A313 WeakPolarHBondContact O-CB 3.44Å; Q309-A313 PolarHBondContact O-N 3.02Å; H310-A313 PolarHBondContact O-N 3.3Å; I311-A313 PolarHBondContact O-N 3.38Å; A313-R316 PolarHBondContact O-N 3.04Å; A313-A317 VanDerWaalsContact O-CB 3.31Å; A313-A317 WeakPolarHBondContact O-CB 3.34Å; A313-A317 PolarHBondContact O-N 3.39Å
314	M	97.5	Very high	96.3	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-63.1	-43.6	174.8	-74.2	-171.9	-86.4	0	0	112.2	M284 I288 V300 H310 I311 R316 A317 V318	M284-M314 HydrophobicContact CE-CE 3.97Å; M284-M314 HydrophobicContact CE-SD 4.01Å; M284-M314 HydrophobicContact SD-CE 4.05Å; M284-M314 HydrophobicContact SD-SD 4.35Å; I288-M314 HydrophobicContact CB-CG 4.42Å; I288-M314 HydrophobicContact CG1-CG 4.13Å; I288-M314 HydrophobicContact CG1-SD 3.92Å; I288-M314 HydrophobicContact CG2-CG 4.35Å; V300-M314 HydrophobicContact CG2-SD 4.21Å; H310-M314 HydrophobicContact CB-CE 4.11Å; H310-M314 WeakPolarHBondContact O-CB 3.42Å; H310-M314 WeakPolarHBondContact O-CG 3.32Å; H310-M314 PolarHBondContact O-N 3.28Å; I311-M314 HydrophobicContact CD1-CE 3.67Å; I311-M314 PolarHBondContact O-N 3.16Å; M314-R316 VanDerWaalsContact C-N 3.32Å; M314-R316 PolarHBondContact O-N 2.85Å; M314-A317 WeakPolarHBondContact O-CB 3.28Å; M314-A317 PolarHBondContact O-N 2.83Å; M314-V318 WeakPolarHBondContact O-CG2 3.43Å; M314-V318 PolarHBondContact O-N 2.97Å
315	S	97.4	Very high	96.6	Very high	28 Å²	28	46.8 Å²	46.8	20%	0.196	26%	0.262	C	S	.	.	H	α-helix	trans	-58	-43.1	176.9	-177.7	0	0	0	0	111.8	I311 E319	I311-S315 WeakPolarHBondContact O-CB 3.42Å; I311-S315 PolarHBondContact O-N 3.42Å; S315-E319 PolarHBondContact O-N 3.4Å
316	R	98.1	Very high	96.9	Very high	148 Å²	148	50.3 Å²	50.3	56%	0.558	28%	0.279	S	S	*	.	H	α-helix	trans	-68.7	-34.9	173.9	-70.4	-172.9	-61	-88.2	2.7	112.4	A312 A313 M314	A312-R316 WeakPolarHBondContact O-CG 3.42Å; A312-R316 PolarHBondContact O-N 3.01Å; A312-R316 PolarHBondContact O-NH1 3.01Å; A313-R316 PolarHBondContact O-N 3.04Å; M314-R316 VanDerWaalsContact C-N 3.32Å; M314-R316 PolarHBondContact O-N 2.85Å
317	A	97.2	Very high	96.8	Very high	10 Å²	10	52.7 Å²	52.7	8%	0.083	29%	0.294	C	S	.	.	H	α-helix	trans	-68	-33.6	-178.2	0	0	0	0	0	113.2	A285 R289 A313 M314	A285-A317 HydrophobicContact CB-CB 4.02Å; A285-A317 WeakPolarHBondContact O-CB 3.49Å; R289-A317 HydrophobicContact CB-CB 4.15Å; R289-A317 PolarHBondContact NH1-O 2.87Å; A313-A317 VanDerWaalsContact O-CB 3.31Å; A313-A317 WeakPolarHBondContact O-CB 3.34Å; A313-A317 PolarHBondContact O-N 3.39Å; M314-A317 WeakPolarHBondContact O-CB 3.28Å; M314-A317 PolarHBondContact O-N 2.83Å
318	V	97.5	Very high	96.5	Very high	7 Å²	7	60.9 Å²	60.9	4%	0.042	33%	0.331	C	S	.	.	H	α-helix	trans	-94.5	-9.6	178.9	-56.2	0	0	0	0	114.1	I9 V11 I288 A292 V300 M314 G320 L321	I9-V318 HydrophobicContact CB-CB 4.25Å; I9-V318 HydrophobicContact CB-CG2 4.32Å; I9-V318 HydrophobicContact CD1-CB 4.27Å; I9-V318 HydrophobicContact CD1-CG1 4.49Å; I9-V318 HydrophobicContact CG2-CB 4.26Å; I9-V318 HydrophobicContact CG2-CG1 4.4Å; I9-V318 HydrophobicContact CG2-CG2 4.24Å; V11-V318 HydrophobicContact CG2-CG2 4.21Å; I288-V318 HydrophobicContact CG2-CG1 3.88Å; A292-V318 HydrophobicContact CB-CG1 4.04Å; V300-V318 HydrophobicContact CG1-CG1 3.99Å; V300-V318 HydrophobicContact CG1-CG2 4.41Å; M314-V318 WeakPolarHBondContact O-CG2 3.43Å; M314-V318 PolarHBondContact O-N 2.97Å; V318-G320 PolarHBondContact O-N 2.67Å; V318-L321 WeakPolarHBondContact O-CB 3.23Å; V318-L321 PolarHBondContact O-N 2.81Å; V318-L321 VanDerWaalsContact O-N 3.14Å
319	E	96	Very high	96.3	Very high	147 Å²	147	61.7 Å²	61.7	69%	0.687	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	128.2	179.5	-170.8	176.5	-169.9	0	0	112	S315 L321	S315-E319 PolarHBondContact O-N 3.4Å; E319-L321 PolarHBondContact O-N 2.96Å
320	G	94.9	Very high	96	Very high	85 Å²	85	60.5 Å²	60.5	88%	0.876	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.3	-0.3	179.4	0	0	0	0	0	115.6	V318	V318-G320 PolarHBondContact O-N 2.67Å
321	L	97.5	Very high	95.9	Very high	34 Å²	34	63.2 Å²	63.2	18%	0.178	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-84.2	144.5	172.8	-60.6	-178.2	0	0	0	110.9	R289 A292 Q293 V318 E319	R289-L321 HydrophobicContact CG-CD1 4.2Å; A292-L321 HydrophobicContact CB-CB 4.5Å; A292-L321 HydrophobicContact CB-CD1 3.53Å; Q293-L321 HydrophobicContact CG-CD1 3.92Å; Q293-L321 HydrophobicContact CG-CD2 4.13Å; V318-L321 WeakPolarHBondContact O-CB 3.23Å; V318-L321 PolarHBondContact O-N 2.81Å; V318-L321 VanDerWaalsContact O-N 3.14Å; E319-L321 PolarHBondContact O-N 2.96Å
322	A	96.2	Very high	95.8	Very high	76 Å²	76	63.8 Å²	63.8	63%	0.628	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-73	137.4	178.7	0	0	0	0	0	110.6
323	P	97.6	Very high	95.8	Very high	20 Å²	20	62.9 Å²	62.9	13%	0.13	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-69.4	158.6	173.8	30.4	-34.5	0	0	0	111.4	I9 K325	I9-P323 HydrophobicContact CG1-CB 4.07Å; P323-K325 PolarHBondContact O-N 2.92Å
324	R	97.3	Very high	95.8	Very high	13 Å²	13	64.1 Å²	64.1	5%	0.049	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-53.9	132.2	171.7	174.8	177.1	174.6	-86.3	5.5	110.7	S255 A258 C260 G295 F296 L297 N298	S255-R324 VanDerWaalsContact O-CZ 3.29Å; S255-R324 PolarHBondContact O-NE 3.09Å; S255-R324 PolarHBondContact O-NH2 3.04Å; S255-R324 VanDerWaalsContact OG-CD 3.3Å; S255-R324 WeakPolarHBondContact OG-CD 3.45Å; S255-R324 PolarHBondContact OG-NE 3.06Å; A258-R324 PolarHBondContact O-NH2 3.06Å; C260-R324 PolarHBondContact O-NH1 2.96Å; G295-R324 WeakPolarHBondContact O-CB 3.38Å; G295-R324 VanDerWaalsContact O-CG 3.29Å; G295-R324 WeakPolarHBondContact O-CG 3.49Å; F296-R324 WeakPolarHBondContact O-CD 3.25Å; L297-R324 PolarHBondContact O-N 2.89Å; N298-R324 PolarHBondContact ND2-O 3.27Å
325	K	94.7	Very high	95.8	Very high	189 Å²	189	64.1 Å²	64.1	82%	0.822	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-82.2	140.8	170.5	-64.7	-175.2	180	-179.1	0	109.9	P323	P323-K325 PolarHBondContact O-N 2.92Å
326	L	94.2	Very high	95.9	Very high	82 Å²	82	62.9 Å²	62.9	43%	0.429	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-65.4	129.9	174	-59.4	-177.5	0	0	0	109.5	C260 Y261	C260-L326 VanDerWaalsContact C-CD2 3.41Å; C260-L326 VanDerWaalsContact O-CD2 3.32Å; C260-L326 WeakPolarHBondContact O-CD2 3.49Å; Y261-L326 HydrophobicContact CD1-CD2 3.69Å; Y261-L326 HydrophobicContact CD1-CG 4.38Å; Y261-L326 HydrophobicContact CE1-CD1 4.25Å; Y261-L326 HydrophobicContact CE1-CD2 3.97Å; Y261-L326 HydrophobicContact CE1-CG 4.16Å; Y261-L326 HydrophobicContact CG-CD2 4.26Å
327	P	92.1	Very high	95.9	Very high	49 Å²	49	56.1 Å²	56.1	32%	0.318	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-77.6	154.2	179.4	32.5	-35.7	0	0	0	111	A258 I329	A258-P327 WeakPolarHBondContact O-CG 3.45Å; P327-I329 HydrophobicContact CB-CG1 4.17Å; P327-I329 HydrophobicContact CG-CD1 3.71Å; P327-I329 HydrophobicContact CG-CG1 3.89Å
328	E	91.4	Very high	95.8	Very high	200 Å²	200	55.8 Å²	55.8	94%	0.935	32%	0.32	S	S	*	.			trans	-86.1	108.4	161.7	-70.2	-179.7	-178.8	0	0	107.9
329	I	92.3	Very high	95.8	Very high	37 Å²	37	59.1 Å²	59.1	19%	0.19	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-100.3	130.9	-178.8	-69.4	166.9	0	0	0	109	I257 E259 P327 V331	I257-I329 WeakPolarHBondContact O-CD1 3.41Å; E259-I329 HydrophobicContact CB-CD1 4.33Å; E259-I329 HydrophobicContact CG-CB 4.27Å; E259-I329 HydrophobicContact CG-CD1 3.51Å; E259-I329 HydrophobicContact CG-CG1 4.4Å; P327-I329 HydrophobicContact CB-CG1 4.17Å; P327-I329 HydrophobicContact CG-CD1 3.71Å; P327-I329 HydrophobicContact CG-CG1 3.89Å; I329-V331 PolarHBondContact O-N 3.11Å
330	P	92.6	Very high	95.9	Very high	103 Å²	103	54.3 Å²	54.3	67%	0.669	32%	0.317	S	S	*	.	P	Polyproline II helix	trans	-58.3	137.8	174.5	-25.1	34.4	0	0	0	112.2	A332 R334	P330-A332 PolarHBondContact O-N 2.84Å; P330-R334 PolarHBondContact O-NH2 3.19Å
331	V	94.5	Very high	96.1	Very high	75 Å²	75	51.8 Å²	51.8	46%	0.455	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-66.4	120.8	174.8	-179	0	0	0	0	108.7	I329 E510 H548	I329-V331 PolarHBondContact O-N 3.11Å; V331-E510 HydrophobicContact CG1-CB 3.79Å; V331-E510 HydrophobicContact CG1-CG 4.12Å; V331-H548 HydrophobicContact CG1-CB 4.11Å
332	A	96.2	Very high	96.1	Very high	12 Å²	12	52.6 Å²	52.6	10%	0.099	29%	0.287	C	S	.	.			trans	-154.3	150.5	-178.4	0	0	0	0	0	109.4	P330 R334 I343	P330-A332 PolarHBondContact O-N 2.84Å; A332-R334 WeakPolarHBondContact O-CG 3.48Å; A332-R334 PolarHBondContact O-N 3.16Å; A332-I343 WeakPolarHBondContact CB-O 3.49Å
333	C	98.1	Very high	96.1	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.014	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	122.5	172	-171.1	0	0	0	0	108.8	N342 I343 E510 L550	C333-N342 CarbonylContact O-C 3.57Å; C333-N342 WeakPolarHBondContact O-CA 3.45Å; C333-I343 HydrophobicContact CB-CB 4.17Å; C333-I343 PolarHBondContact N-O 3.04Å; C333-I343 PolarHBondContact O-N 3.45Å; C333-E510 WeakPolarHBondContact CB-O 3.46Å; C333-E510 PolarHBondContact SG-O 3.37Å; C333-E510 VanDerWaalsContact SG-O 3.34Å; C333-L550 HydrophobicContact CB-CD1 3.54Å
334	R	97.9	Very high	95.9	Very high	30 Å²	30	49.9 Å²	49.9	11%	0.113	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	106.2	-177.4	-54.4	-160.6	-180	-66.7	-7.2	109.2	N226 P330 A332 N342 K444	N226-R334 HydrophobicContact CB-CB 4.42Å; P330-R334 PolarHBondContact O-NH2 3.19Å; A332-R334 WeakPolarHBondContact O-CG 3.48Å; A332-R334 PolarHBondContact O-N 3.16Å; R334-N342 WeakPolarHBondContact CG-OD1 3.49Å; R334-N342 PolarHBondContact NH1-OD1 3.13Å; R334-K444 WeakPolarHBondContact O-CD 3.47Å; R334-K444 VanDerWaalsContact O-CE 3.23Å; R334-K444 WeakPolarHBondContact O-CE 3.36Å; R334-K444 PolarHBondContact O-NZ 2.96Å
335	L	98.6	Very high	95.3	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	169.4	178.7	-55.9	174.7	0	0	0	109.8	N226 L341 I343 I390 P423 K444 I446 A472	N226-L335 PolarHBondContact ND2-O 3.47Å; N226-L335 VanDerWaalsContact ND2-O 3.11Å; L335-L341 HydrophobicContact CB-CB 4.3Å; L335-L341 HydrophobicContact CD1-CD2 4.34Å; L335-L341 PolarHBondContact N-O 3.25Å; L335-L341 PolarHBondContact O-N 3.02Å; L335-I343 HydrophobicContact CD1-CD1 4.17Å; L335-I390 HydrophobicContact CD1-CD1 4.03Å; L335-P423 HydrophobicContact CB-CB 4.06Å; L335-P423 HydrophobicContact CB-CG 3.61Å; L335-P423 HydrophobicContact CD1-CG 4.48Å; L335-K444 HydrophobicContact CD2-CG 4.11Å; L335-I446 HydrophobicContact CD1-CD1 3.68Å; L335-I446 HydrophobicContact CD1-CG1 4.03Å; L335-I446 HydrophobicContact CD2-CG1 4.01Å; L335-A472 HydrophobicContact CD2-CB 3.78Å
336	S	98.4	Very high	94.6	Very high	2 Å²	2	57.7 Å²	57.7	1%	0.014	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	140.5	173.2	49.3	0	0	0	0	112.7	A223 S227 E339 G443 K444	A223-S336 PolarHBondContact O-OG 2.96Å; S227-S336 PolarHBondContact OG-OG 2.76Å; S336-E339 WeakPolarHBondContact CA-O 3.39Å; S336-G443 CarbonylContact O-C 3.53Å; S336-G443 VanDerWaalsContact O-C 3.3Å; S336-G443 WeakPolarHBondContact O-CA 3.36Å; S336-K444 PolarHBondContact N-O 2.95Å; S336-K444 VanDerWaalsContact N-O 3.11Å; S336-K444 PolarHBondContact O-N 2.95Å; S336-K444 VanDerWaalsContact O-N 3.1Å; S336-K444 PolarHBondContact OG-N 2.91Å
337	G	97.8	Very high	94.3	Very high	6 Å²	6	56.3 Å²	56.3	6%	0.062	31%	0.312	C	S	.	.	S	Bend	trans	-96.6	-123.4	151	0	0	0	0	0	108.5	Q219 E339 A420 R421	Q219-G337 PolarHBondContact NE2-O 3.18Å; G337-E339 VanDerWaalsContact C-N 3.26Å; G337-E339 PolarHBondContact N-O 3.11Å; G337-A420 CarbonylContact C-O 3.58Å; G337-A420 VanDerWaalsContact C-O 3.32Å; G337-A420 WeakPolarHBondContact CA-O 3.49Å; G337-R421 WeakPolarHBondContact CA-O 3.28Å
338	L	96.9	Very high	94	Very high	2 Å²	2	61.4 Å²	61.4	1%	0.01	34%	0.335	C	S	.	.	S	Bend	trans	-73.6	-21.4	161.2	-52.9	176	0	0	0	112.4	S217 Q219 T220 A223 P417 A420 R421 Q442 E960	S217-L338 VanDerWaalsContact O-CD2 3.28Å; S217-L338 WeakPolarHBondContact O-CD2 3.39Å; Q219-L338 WeakPolarHBondContact CA-O 3.41Å; Q219-L338 HydrophobicContact CG-CD2 4.16Å; T220-L338 PolarHBondContact N-O 2.77Å; A223-L338 VanDerWaalsContact CB-O 3.29Å; A223-L338 WeakPolarHBondContact CB-O 3.37Å; L338-P417 HydrophobicContact CD1-CB 3.77Å; L338-A420 HydrophobicContact CD1-CB 3.86Å; L338-A420 HydrophobicContact CD2-CB 4.49Å; L338-A420 HydrophobicContact CG-CB 3.89Å; L338-A420 PolarHBondContact N-O 3.27Å; L338-R421 HydrophobicContact CB-CB 4.49Å; L338-R421 PolarHBondContact N-O 3.43Å; L338-Q442 VanDerWaalsContact CD2-NE2 3.28Å; L338-E960 WeakPolarHBondContact CD1-OE1 3.48Å; L338-E960 WeakPolarHBondContact CD1-OE2 3.38Å
339	E	97.7	Very high	94	Very high	77 Å²	77	53.5 Å²	53.5	36%	0.36	30%	0.298	S	S	.	.	S	Bend	trans	-119.2	152.8	177.6	-63.9	-176.4	177.5	0	0	110.8	R214 T220 S336 G337 R421	R214-E339 IonicContact CZ-OE1 3.7Å; R214-E339 IonicContact NH2-OE1 2.7Å; R214-E339 PolarHBondContact NH2-OE1 2.88Å; T220-E339 HydrophobicContact CG2-CG 4.4Å; S336-E339 WeakPolarHBondContact CA-O 3.39Å; G337-E339 VanDerWaalsContact C-N 3.26Å; G337-E339 PolarHBondContact N-O 3.11Å; E339-R421 HydrophobicContact CG-CB 4.23Å; E339-R421 PolarHBondContact N-O 3.43Å; E339-R421 VanDerWaalsContact N-O 3.08Å
340	P	97.7	Very high	94.1	Very high	46 Å²	46	52 Å²	52	30%	0.299	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	141.2	179.4	32.7	-37.2	0	0	0	111.1	T220 E222	T220-P340 WeakPolarHBondContact OG1-CD 3.46Å; E222-P340 HydrophobicContact CB-CB 4.15Å; E222-P340 HydrophobicContact CB-CG 4.02Å; E222-P340 HydrophobicContact CG-CB 3.76Å; E222-P340 HydrophobicContact CG-CG 4.04Å
341	L	98	Very high	94.2	Very high	32 Å²	32	48.4 Å²	48.4	17%	0.168	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	108.6	166.1	177	66.1	0	0	0	108.4	L335 I343 V350 Q389 I390 P423	L335-L341 HydrophobicContact CB-CB 4.3Å; L335-L341 HydrophobicContact CD1-CD2 4.34Å; L335-L341 PolarHBondContact N-O 3.25Å; L335-L341 PolarHBondContact O-N 3.02Å; L341-I343 HydrophobicContact CG-CG1 4.32Å; L341-V350 HydrophobicContact CD2-CG1 4.35Å; L341-Q389 HydrophobicContact CD1-CB 4.29Å; L341-Q389 HydrophobicContact CD2-CB 4.13Å; L341-I390 HydrophobicContact CD2-CD1 3.91Å; L341-I390 HydrophobicContact CD2-CG1 3.58Å; L341-P423 HydrophobicContact CB-CG 3.85Å; L341-P423 HydrophobicContact CD2-CG 3.99Å
342	N	97.6	Very high	94.4	Very high	51 Å²	51	44.8 Å²	44.8	27%	0.273	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	123.3	178.6	-64.3	-55.3	0	0	0	110.1	E222 N226 C333 R334 S347	E222-N342 PolarHBondContact OE1-ND2 3.42Å; N226-N342 PolarHBondContact ND2-OD1 2.73Å; C333-N342 CarbonylContact O-C 3.57Å; C333-N342 WeakPolarHBondContact O-CA 3.45Å; R334-N342 WeakPolarHBondContact CG-OD1 3.49Å; R334-N342 PolarHBondContact NH1-OD1 3.13Å; N342-S347 PolarHBondContact O-OG 3.36Å
343	I	97.1	Very high	94.4	Very high	8 Å²	8	44.2 Å²	44.2	4%	0.041	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	105.8	-179.9	-49.5	170.9	0	0	0	108	A332 C333 L335 L341 S347 V350 L550 M587	A332-I343 WeakPolarHBondContact CB-O 3.49Å; C333-I343 HydrophobicContact CB-CB 4.17Å; C333-I343 PolarHBondContact N-O 3.04Å; C333-I343 PolarHBondContact O-N 3.45Å; L335-I343 HydrophobicContact CD1-CD1 4.17Å; L341-I343 HydrophobicContact CG-CG1 4.32Å; I343-S347 WeakPolarHBondContact CA-OG 3.33Å; I343-V350 HydrophobicContact CD1-CG2 3.98Å; I343-V350 HydrophobicContact CG1-CG2 4.11Å; I343-V350 HydrophobicContact CG2-CG2 4.42Å; I343-L550 HydrophobicContact CB-CD1 4.44Å; I343-L550 HydrophobicContact CD1-CD1 4.31Å; I343-L550 HydrophobicContact CG2-CD1 4.25Å; I343-L550 HydrophobicContact CG2-CD2 4.37Å; I343-M587 HydrophobicContact CD1-CE 3.63Å
344	G	92.6	Very high	94.2	Very high	32 Å²	32	45.7 Å²	45.7	33%	0.33	25%	0.245	S	C	.	.			trans	-126.5	-166.6	179.9	0	0	0	0	0	112.2	D346 S347	G344-D346 VanDerWaalsContact C-N 3.31Å; G344-D346 PolarHBondContact O-N 2.89Å; G344-S347 PolarHBondContact N-OG 3.13Å; G344-S347 WeakPolarHBondContact O-CB 3.38Å; G344-S347 PolarHBondContact O-N 3Å; G344-S347 VanDerWaalsContact O-N 3.16Å; G344-S347 PolarHBondContact O-OG 2.91Å
345	E	85.6	Confident	94.1	Very high	198 Å²	198	48.1 Å²	48.1	93%	0.925	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-33	-175.1	-65.5	-174.6	168.1	0	0	114.1
346	D	80.3	Confident	94	Very high	168 Å²	168	48.1 Å²	48.1	90%	0.898	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	2.3	179.9	-63.7	-42.1	0	0	0	113.3	G344	G344-D346 VanDerWaalsContact C-N 3.31Å; G344-D346 PolarHBondContact O-N 2.89Å
347	S	87.3	Confident	93.8	Very high	53 Å²	53	49 Å²	49	37%	0.371	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-71.4	138.7	-178.8	-66.6	0	0	0	0	111.3	N342 I343 G344	N342-S347 PolarHBondContact O-OG 3.36Å; I343-S347 WeakPolarHBondContact CA-OG 3.33Å; G344-S347 PolarHBondContact N-OG 3.13Å; G344-S347 WeakPolarHBondContact O-CB 3.38Å; G344-S347 PolarHBondContact O-N 3Å; G344-S347 VanDerWaalsContact O-N 3.16Å; G344-S347 PolarHBondContact O-OG 2.91Å
348	L	85.9	Confident	93.5	Very high	156 Å²	156	48.8 Å²	48.8	82%	0.817	26%	0.257	S	S	*	.	P	Polyproline II helix	trans	-73.6	167.5	167.8	-61.2	177.8	0	0	0	110.4	V350	L348-V350 PolarHBondContact O-N 3.4Å
349	F	90.2	Very high	92.9	Very high	33 Å²	33	53.3 Å²	53.3	15%	0.145	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-53.7	133.7	174.3	-178.4	-100.4	0	0	0	111.8	N351 L577 I581 M585 D586 M587	F349-N351 WeakPolarHBondContact CD1-OD1 3.47Å; F349-N351 WeakPolarHBondContact CE1-OD1 3.44Å; F349-L577 HydrophobicContact CE1-CD1 4.49Å; F349-L577 HydrophobicContact CE1-CD2 4.18Å; F349-L577 HydrophobicContact CE2-CD2 4Å; F349-L577 HydrophobicContact CZ-CD2 3.51Å; F349-I581 HydrophobicContact CB-CD1 3.83Å; F349-I581 HydrophobicContact CB-CG1 4.31Å; F349-I581 HydrophobicContact CD1-CD1 4.2Å; F349-I581 HydrophobicContact CD2-CD1 3.62Å; F349-I581 HydrophobicContact CD2-CG1 3.49Å; F349-I581 VanDerWaalsContact CD2-CG1 3.49Å; F349-I581 HydrophobicContact CE2-CD1 4.14Å; F349-I581 HydrophobicContact CE2-CG1 3.93Å; F349-I581 HydrophobicContact CG-CD1 3.62Å; F349-I581 HydrophobicContact CG-CG1 4.02Å; F349-M585 HydrophobicContact CE2-CE 4.43Å; F349-M585 HydrophobicContact CE2-CG 4.15Å; F349-M585 HydrophobicContact CE2-SD 4.4Å; F349-D586 WeakPolarHBondContact CA-O 3.44Å; F349-M587 VanDerWaalsContact CZ-C 3.44Å
350	V	95.6	Very high	92.3	Very high	5 Å²	5	52.4 Å²	52.4	3%	0.03	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	121.8	-176.7	-178.1	0	0	0	0	110.3	L341 I343 L348 Q389 I390 D586 M587 G588	L341-V350 HydrophobicContact CD2-CG1 4.35Å; I343-V350 HydrophobicContact CD1-CG2 3.98Å; I343-V350 HydrophobicContact CG1-CG2 4.11Å; I343-V350 HydrophobicContact CG2-CG2 4.42Å; L348-V350 PolarHBondContact O-N 3.4Å; V350-Q389 HydrophobicContact CG1-CB 4.05Å; V350-I390 HydrophobicContact CG1-CD1 3.73Å; V350-I390 HydrophobicContact CG1-CG1 4.13Å; V350-D586 PolarHBondContact N-O 3.37Å; V350-M587 HydrophobicContact CB-CB 3.74Å; V350-M587 HydrophobicContact CG1-CB 4.39Å; V350-M587 CarbonylContact O-C 3.55Å; V350-M587 WeakPolarHBondContact O-CA 3.45Å; V350-M587 WeakPolarHBondContact O-CB 3.17Å; V350-G588 PolarHBondContact O-N 3.49Å
351	N	95	Very high	91.9	Very high	28 Å²	28	50.4 Å²	50.4	15%	0.15	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	121.4	176.1	-62.7	-42.2	0	0	0	110.1	F349 Q389 I390 V590 L595	F349-N351 WeakPolarHBondContact CD1-OD1 3.47Å; F349-N351 WeakPolarHBondContact CE1-OD1 3.44Å; N351-Q389 PolarHBondContact O-N 3.37Å; N351-Q389 PolarHBondContact O-OE1 2.93Å; N351-I390 PolarHBondContact O-N 3.27Å; N351-V590 HydrophobicContact CB-CG2 3.87Å; N351-L595 WeakPolarHBondContact OD1-CD1 3.17Å
352	V	97.8	Very high	91.4	Very high	0 Å²	0	53 Å²	53	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	120.5	170.4	-172.5	0	0	0	0	108.2	E354 I390 D392 M425 M587 G588 I589 V590	V352-E354 PolarHBondContact O-N 2.9Å; V352-I390 CarbonylContact C-O 3.46Å; V352-I390 WeakPolarHBondContact CA-O 3.15Å; V352-I390 HydrophobicContact CB-CB 4.38Å; V352-I390 HydrophobicContact CG1-CB 4.1Å; V352-I390 HydrophobicContact CG1-CG2 3.9Å; V352-I390 HydrophobicContact CG2-CB 4.09Å; V352-I390 HydrophobicContact CG2-CD1 4.17Å; V352-I390 HydrophobicContact CG2-CG2 4.41Å; V352-D392 HydrophobicContact CG1-CB 3.88Å; V352-M425 HydrophobicContact CG1-CE 3.92Å; V352-M425 HydrophobicContact CG1-SD 3.97Å; V352-M425 HydrophobicContact CG2-CE 4.04Å; V352-M587 HydrophobicContact CG2-CB 4.47Å; V352-M587 HydrophobicContact CG2-SD 4.39Å; V352-G588 PolarHBondContact N-O 3.37Å; V352-I589 HydrophobicContact CB-CB 4.47Å; V352-I589 HydrophobicContact CB-CG1 3.99Å; V352-I589 HydrophobicContact CG1-CG1 4.04Å; V352-I589 CarbonylContact O-C 3.54Å; V352-I589 WeakPolarHBondContact O-CA 3.39Å; V352-V590 PolarHBondContact O-N 2.97Å; V352-V590 VanDerWaalsContact O-O 3.09Å
353	G	96.1	Very high	91.1	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	121.6	-177.4	0	0	0	0	0	113	Q383 I390 D392	G353-Q383 PolarHBondContact O-OE1 2.89Å; G353-I390 PolarHBondContact N-O 2.83Å; G353-D392 WeakPolarHBondContact O-CB 3.35Å; G353-D392 PolarHBondContact O-N 3.14Å; G353-D392 VanDerWaalsContact O-N 3.08Å
354	E	94.6	Very high	91.1	Very high	32 Å²	32	55.9 Å²	55.9	15%	0.15	32%	0.319	C	S	.	.			trans	-89.7	-9.8	-175.3	77.3	179.3	177.6	0	0	116.3	V352 T356 N357 S556 I589 V590 N591	V352-E354 PolarHBondContact O-N 2.9Å; E354-T356 PolarHBondContact O-N 3.34Å; E354-N357 WeakPolarHBondContact O-CB 3.31Å; E354-S556 PolarHBondContact OE1-OG 3.03Å; E354-S556 WeakPolarHBondContact OE2-CB 3.42Å; E354-S556 PolarHBondContact OE2-OG 3.25Å; E354-I589 HydrophobicContact CB-CG2 3.52Å; E354-V590 VanDerWaalsContact CG-C 3.5Å; E354-V590 WeakPolarHBondContact CG-O 3.47Å; E354-V590 PolarHBondContact N-O 2.97Å; E354-N591 HydrophobicContact CG-CB 4.31Å; E354-N591 WeakPolarHBondContact OE1-CB 3.49Å; E354-N591 PolarHBondContact OE1-N 3.4Å
355	R	94.5	Very high	91.1	Very high	82 Å²	82	57.7 Å²	57.7	31%	0.309	32%	0.318	S	S	.	.	S	Bend	trans	-81.3	-13	-165.3	-62.1	-63.5	-154.8	157.8	1	114.4	N357 S361 F364 V379 Q383 N591	R355-N357 PolarHBondContact O-N 3.43Å; R355-S361 WeakPolarHBondContact O-CB 3.29Å; R355-S361 PolarHBondContact O-OG 2.54Å; R355-F364 VanDerWaalsContact O-CB 3.3Å; R355-F364 WeakPolarHBondContact O-CB 3.46Å; R355-V379 HydrophobicContact CB-CG1 3.82Å; R355-Q383 HydrophobicContact CB-CG 4.08Å; R355-Q383 HydrophobicContact CG-CG 4.31Å; R355-N591 PolarHBondContact NE-ND2 2.87Å; R355-N591 VanDerWaalsContact NE-ND2 3.2Å; R355-N591 PolarHBondContact NH2-ND2 3.21Å
356	T	96.9	Very high	91.5	Very high	0 Å²	0	54 Å²	54	0%	0	30%	0.295	C	S	.	.	S	Bend	trans	-87.7	38.5	175	28	0	0	0	0	112	E354 F364 V379 A380 Q383 I391 D392 I393 N394 F409	E354-T356 PolarHBondContact O-N 3.34Å; T356-F364 VanDerWaalsContact C-CD1 3.5Å; T356-F364 VanDerWaalsContact C-CE1 3.42Å; T356-F364 HydrophobicContact CG2-CD2 4.21Å; T356-F364 HydrophobicContact CG2-CE2 3.75Å; T356-F364 HydrophobicContact CG2-CZ 4.09Å; T356-F364 WeakPolarHBondContact O-CE1 3.27Å; T356-V379 HydrophobicContact CG2-CG1 4.45Å; T356-A380 HydrophobicContact CG2-CB 3.76Å; T356-Q383 PolarHBondContact OG1-NE2 3.08Å; T356-I391 HydrophobicContact CG2-CG2 4.26Å; T356-I391 VanDerWaalsContact OG1-CG2 3.23Å; T356-I391 WeakPolarHBondContact OG1-CG2 3.37Å; T356-D392 VanDerWaalsContact CB-O 3.24Å; T356-D392 WeakPolarHBondContact CB-O 3.36Å; T356-D392 PolarHBondContact OG1-O 3.28Å; T356-I393 WeakPolarHBondContact O-CA 3.25Å; T356-N394 PolarHBondContact O-N 3.47Å; T356-N394 VanDerWaalsContact O-N 3.08Å; T356-F409 HydrophobicContact CG2-CE1 4.12Å; T356-F409 HydrophobicContact CG2-CZ 4.21Å
357	N	94.1	Very high	92.2	Very high	20 Å²	20	46 Å²	46	11%	0.107	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-122.2	116.6	-176.8	-172.8	-48.6	0	0	0	110.5	E354 R355 T359 G360 S361 N394	E354-N357 WeakPolarHBondContact O-CB 3.31Å; R355-N357 PolarHBondContact O-N 3.43Å; N357-T359 PolarHBondContact O-N 3.27Å; N357-T359 WeakPolarHBondContact OD1-CA 3.49Å; N357-T359 PolarHBondContact OD1-N 3.12Å; N357-T359 PolarHBondContact OD1-OG1 3.45Å; N357-G360 PolarHBondContact O-N 3.29Å; N357-G360 PolarHBondContact OD1-N 2.87Å; N357-S361 WeakPolarHBondContact O-CB 3.39Å; N357-S361 PolarHBondContact O-N 2.94Å; N357-N394 HydrophobicContact CB-CB 4.1Å; N357-N394 VanDerWaalsContact ND2-CB 3.34Å; N357-N394 WeakPolarHBondContact ND2-CB 3.44Å
358	V	92.2	Very high	92.5	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.006	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-26.2	-177.8	173.8	0	0	0	0	112.2	F364 K365 I368 N394 M395 E397 L400	V358-F364 HydrophobicContact CG2-CD1 3.87Å; V358-F364 HydrophobicContact CG2-CE1 3.86Å; V358-K365 HydrophobicContact CG1-CB 4.23Å; V358-K365 HydrophobicContact CG1-CD 4.48Å; V358-K365 HydrophobicContact CG1-CG 3.96Å; V358-K365 WeakPolarHBondContact O-CB 3.47Å; V358-K365 WeakPolarHBondContact O-CD 3.48Å; V358-I368 HydrophobicContact CG2-CB 4.31Å; V358-I368 HydrophobicContact CG2-CG1 4.18Å; V358-I368 HydrophobicContact CG2-CG2 4.36Å; V358-N394 WeakPolarHBondContact CG2-O 3.39Å; V358-N394 PolarHBondContact N-O 3.45Å; V358-M395 HydrophobicContact CG2-SD 3.85Å; V358-E397 HydrophobicContact CG1-CB 3.74Å; V358-E397 HydrophobicContact CG1-CG 3.88Å; V358-L400 HydrophobicContact CG2-CD2 4.45Å
359	T	85.1	Confident	92.7	Very high	98 Å²	98	40.2 Å²	40.2	60%	0.601	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-32.7	177.1	71.1	0	0	0	0	112.9	N357 D396	N357-T359 PolarHBondContact O-N 3.27Å; N357-T359 WeakPolarHBondContact OD1-CA 3.49Å; N357-T359 PolarHBondContact OD1-N 3.12Å; N357-T359 PolarHBondContact OD1-OG1 3.45Å; T359-D396 WeakPolarHBondContact CG2-O 3.43Å
360	G	83.5	Confident	92.8	Very high	57 Å²	57	43.1 Å²	43.1	59%	0.588	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-24.5	-175.6	0	0	0	0	0	115.5	N357	N357-G360 PolarHBondContact O-N 3.29Å; N357-G360 PolarHBondContact OD1-N 2.87Å
361	S	89.8	Confident	92.5	Very high	5 Å²	5	50.2 Å²	50.2	4%	0.035	26%	0.261	C	S	.	.			trans	-121.3	107	-172.4	176.7	0	0	0	0	111.7	R355 N357 K363 F364 K365	R355-S361 WeakPolarHBondContact O-CB 3.29Å; R355-S361 PolarHBondContact O-OG 2.54Å; N357-S361 WeakPolarHBondContact O-CB 3.39Å; N357-S361 PolarHBondContact O-N 2.94Å; S361-K363 VanDerWaalsContact C-N 3.27Å; S361-K363 PolarHBondContact O-N 3.19Å; S361-F364 PolarHBondContact O-N 3.4Å; S361-F364 WeakPolarHBondContact OG-CB 3.45Å; S361-F364 PolarHBondContact OG-N 3.01Å; S361-K365 WeakPolarHBondContact O-CB 3.28Å; S361-K365 PolarHBondContact O-N 3.35Å
362	A	87.7	Confident	92.3	Very high	87 Å²	87	52.7 Å²	52.7	72%	0.719	27%	0.27	S	S	*	.	H	α-helix	trans	-59.9	-36.9	179.5	0	0	0	0	0	112.8	R366	A362-R366 WeakPolarHBondContact O-CB 3.24Å; A362-R366 PolarHBondContact O-N 3.41Å; A362-R366 VanDerWaalsContact O-N 3.15Å
363	K	91.9	Very high	92	Very high	118 Å²	118	53.9 Å²	53.9	51%	0.513	28%	0.275	S	S	.	.	H	α-helix	trans	-63.2	-53.6	175	-177.3	-179.7	176	-175.3	0	110.2	S361 K365 R366 L367 V379	S361-K363 VanDerWaalsContact C-N 3.27Å; S361-K363 PolarHBondContact O-N 3.19Å; K363-K365 PolarHBondContact O-N 3.08Å; K363-R366 WeakPolarHBondContact O-CB 3.23Å; K363-R366 PolarHBondContact O-N 2.86Å; K363-L367 HydrophobicContact CG-CD1 4.09Å; K363-L367 VanDerWaalsContact O-CG 3.31Å; K363-L367 WeakPolarHBondContact O-CG 3.34Å; K363-L367 PolarHBondContact O-N 3.08Å; K363-V379 HydrophobicContact CD-CG2 4.17Å
364	F	95.5	Very high	91.5	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-62.7	-43.9	-178.6	-169.8	-107.7	0	0	0	112	R355 T356 V358 S361 R366 L367 I368 A376 V379 M395 F409	R355-F364 VanDerWaalsContact O-CB 3.3Å; R355-F364 WeakPolarHBondContact O-CB 3.46Å; T356-F364 VanDerWaalsContact C-CD1 3.5Å; T356-F364 VanDerWaalsContact C-CE1 3.42Å; T356-F364 HydrophobicContact CG2-CD2 4.21Å; T356-F364 HydrophobicContact CG2-CE2 3.75Å; T356-F364 HydrophobicContact CG2-CZ 4.09Å; T356-F364 WeakPolarHBondContact O-CE1 3.27Å; V358-F364 HydrophobicContact CG2-CD1 3.87Å; V358-F364 HydrophobicContact CG2-CE1 3.86Å; S361-F364 PolarHBondContact O-N 3.4Å; S361-F364 WeakPolarHBondContact OG-CB 3.45Å; S361-F364 PolarHBondContact OG-N 3.01Å; F364-R366 VanDerWaalsContact C-N 3.3Å; F364-R366 PolarHBondContact O-N 3.07Å; F364-L367 PolarHBondContact O-N 2.89Å; F364-L367 VanDerWaalsContact O-N 3.1Å; F364-I368 HydrophobicContact CD1-CG1 4.01Å; F364-I368 HydrophobicContact CD2-CG1 4.45Å; F364-I368 HydrophobicContact CE1-CD1 4.23Å; F364-I368 HydrophobicContact CE1-CG1 3.71Å; F364-I368 HydrophobicContact CE2-CD1 4.07Å; F364-I368 HydrophobicContact CE2-CG1 4.17Å; F364-I368 HydrophobicContact CG-CG1 4.38Å; F364-I368 HydrophobicContact CZ-CD1 3.8Å; F364-I368 HydrophobicContact CZ-CG1 3.79Å; F364-I368 WeakPolarHBondContact O-CG1 3.39Å; F364-I368 PolarHBondContact O-N 3.29Å; F364-A376 HydrophobicContact CD2-CB 4.14Å; F364-A376 HydrophobicContact CE2-CB 3.8Å; F364-V379 HydrophobicContact CD2-CB 4.31Å; F364-V379 HydrophobicContact CD2-CG1 4.29Å; F364-M395 HydrophobicContact CE1-CE 4.07Å; F364-M395 HydrophobicContact CE1-SD 4.16Å; F364-M395 HydrophobicContact CZ-CE 3.84Å; F364-F409 AromaticContact CE2-CE1 3.9Å; F364-F409 HydrophobicContact CE2-CE1 3.9Å; F364-F409 HydrophobicContact CE2-CE2 4.21Å; F364-F409 AromaticContact CE2-CZ 3.6Å; F364-F409 HydrophobicContact CE2-CZ 3.6Å; F364-F409 HydrophobicContact CZ-CD1 4.14Å; F364-F409 AromaticContact CZ-CE1 3.62Å; F364-F409 HydrophobicContact CZ-CE1 3.62Å; F364-F409 HydrophobicContact CZ-CE2 4.45Å; F364-F409 AromaticContact CZ-CZ 3.81Å; F364-F409 HydrophobicContact CZ-CZ 3.81Å
365	K	93.1	Very high	91.3	Very high	71 Å²	71	60.5 Å²	60.5	31%	0.309	32%	0.316	S	S	.	.	H	α-helix	trans	-51.6	-47.8	173.4	-178.4	168.9	-170.1	159.8	0	112.5	V358 S361 K363 K369 E397	V358-K365 HydrophobicContact CG1-CB 4.23Å; V358-K365 HydrophobicContact CG1-CD 4.48Å; V358-K365 HydrophobicContact CG1-CG 3.96Å; V358-K365 WeakPolarHBondContact O-CB 3.47Å; V358-K365 WeakPolarHBondContact O-CD 3.48Å; S361-K365 WeakPolarHBondContact O-CB 3.28Å; S361-K365 PolarHBondContact O-N 3.35Å; K363-K365 PolarHBondContact O-N 3.08Å; K365-K369 HydrophobicContact CG-CD 4.39Å; K365-K369 WeakPolarHBondContact O-CB 3.37Å; K365-K369 WeakPolarHBondContact O-CG 3.02Å; K365-K369 PolarHBondContact O-N 3.42Å; K365-K369 VanDerWaalsContact O-N 3.09Å; K365-E397 WeakPolarHBondContact CE-OE1 3.29Å; K365-E397 IonicContact NZ-OE1 3.77Å; K365-E397 PolarHBondContact NZ-OE1 3.08Å; K365-E397 VanDerWaalsContact NZ-OE1 3.16Å
366	R	94.1	Very high	91.2	Very high	121 Å²	121	56.6 Å²	56.6	46%	0.457	30%	0.302	S	S	.	.	H	α-helix	trans	-62.2	-47.5	178.4	-176.9	-172	66.2	153	5.1	110.7	A362 K363 F364 I368 K369 E370	A362-R366 WeakPolarHBondContact O-CB 3.24Å; A362-R366 PolarHBondContact O-N 3.41Å; A362-R366 VanDerWaalsContact O-N 3.15Å; K363-R366 WeakPolarHBondContact O-CB 3.23Å; K363-R366 PolarHBondContact O-N 2.86Å; F364-R366 VanDerWaalsContact C-N 3.3Å; F364-R366 PolarHBondContact O-N 3.07Å; R366-I368 PolarHBondContact O-N 3Å; R366-K369 PolarHBondContact O-N 3.31Å; R366-E370 WeakPolarHBondContact CD-OE1 3.16Å; R366-E370 HydrophobicContact CG-CG 4.34Å; R366-E370 WeakPolarHBondContact CG-OE1 3.45Å; R366-E370 WeakPolarHBondContact O-CB 3.32Å; R366-E370 WeakPolarHBondContact O-CG 3.1Å; R366-E370 PolarHBondContact O-N 2.81Å
367	L	95.6	Very high	91	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-62.6	-44.3	-177.4	-64.5	174.4	0	0	0	112.2	K363 F364 E370 E371 K372 E375 A376 V379	K363-L367 HydrophobicContact CG-CD1 4.09Å; K363-L367 VanDerWaalsContact O-CG 3.31Å; K363-L367 WeakPolarHBondContact O-CG 3.34Å; K363-L367 PolarHBondContact O-N 3.08Å; F364-L367 PolarHBondContact O-N 2.89Å; F364-L367 VanDerWaalsContact O-N 3.1Å; L367-E370 CarbonylContact O-C 3.3Å; L367-E370 PolarHBondContact O-N 2.88Å; L367-E371 PolarHBondContact O-N 2.86Å; L367-E371 VanDerWaalsContact O-N 3.11Å; L367-K372 HydrophobicContact CB-CB 4.36Å; L367-K372 HydrophobicContact CD2-CB 3.91Å; L367-K372 HydrophobicContact CD2-CD 4Å; L367-K372 PolarHBondContact O-N 3.1Å; L367-E375 HydrophobicContact CD1-CB 3.86Å; L367-E375 HydrophobicContact CD2-CB 3.67Å; L367-E375 HydrophobicContact CD2-CG 4.37Å; L367-E375 WeakPolarHBondContact CD2-OE2 3.19Å; L367-E375 HydrophobicContact CG-CB 4.32Å; L367-A376 HydrophobicContact CB-CB 4.17Å; L367-A376 HydrophobicContact CD1-CB 4.48Å; L367-V379 HydrophobicContact CD1-CG2 3.97Å
368	I	93.6	Very high	90.9	Very high	2 Å²	2	60 Å²	60	1%	0.01	32%	0.32	C	S	.	.	H	α-helix	trans	-66.2	-42.9	177.4	-61.9	-58.4	0	0	0	111.6	V358 F364 R366 E370 E371 Y373 A376 M395 L400	V358-I368 HydrophobicContact CG2-CB 4.31Å; V358-I368 HydrophobicContact CG2-CG1 4.18Å; V358-I368 HydrophobicContact CG2-CG2 4.36Å; F364-I368 HydrophobicContact CD1-CG1 4.01Å; F364-I368 HydrophobicContact CD2-CG1 4.45Å; F364-I368 HydrophobicContact CE1-CD1 4.23Å; F364-I368 HydrophobicContact CE1-CG1 3.71Å; F364-I368 HydrophobicContact CE2-CD1 4.07Å; F364-I368 HydrophobicContact CE2-CG1 4.17Å; F364-I368 HydrophobicContact CG-CG1 4.38Å; F364-I368 HydrophobicContact CZ-CD1 3.8Å; F364-I368 HydrophobicContact CZ-CG1 3.79Å; F364-I368 WeakPolarHBondContact O-CG1 3.39Å; F364-I368 PolarHBondContact O-N 3.29Å; R366-I368 PolarHBondContact O-N 3Å; I368-E370 VanDerWaalsContact C-N 3.3Å; I368-E370 PolarHBondContact O-N 3.35Å; I368-E371 PolarHBondContact O-N 3.33Å; I368-E371 VanDerWaalsContact O-N 3.08Å; I368-Y373 HydrophobicContact CD1-CD1 4.02Å; I368-Y373 HydrophobicContact CD1-CE1 3.88Å; I368-A376 HydrophobicContact CD1-CB 3.91Å; I368-M395 HydrophobicContact CD1-CE 4.02Å; I368-M395 HydrophobicContact CD1-SD 4.38Å; I368-M395 HydrophobicContact CG1-CE 4.44Å; I368-M395 HydrophobicContact CG1-SD 4.24Å; I368-M395 HydrophobicContact CG2-SD 4.16Å; I368-L400 HydrophobicContact CG2-CD1 4.03Å; I368-L400 HydrophobicContact CG2-CD2 3.66Å
369	K	89.9	Confident	91	Very high	85 Å²	85	60.6 Å²	60.6	37%	0.37	32%	0.323	S	S	.	.	H	α-helix	trans	-67.3	-29.1	177.5	-75.8	-168.7	173.7	-155.6	0	114.1	K365 R366 E371 E397	K365-K369 HydrophobicContact CG-CD 4.39Å; K365-K369 WeakPolarHBondContact O-CB 3.37Å; K365-K369 WeakPolarHBondContact O-CG 3.02Å; K365-K369 PolarHBondContact O-N 3.42Å; K365-K369 VanDerWaalsContact O-N 3.09Å; R366-K369 PolarHBondContact O-N 3.31Å; K369-E371 VanDerWaalsContact C-N 3.28Å; K369-E397 VanDerWaalsContact CE-CD 3.41Å; K369-E397 VanDerWaalsContact CE-OE1 3.27Å; K369-E397 WeakPolarHBondContact CE-OE1 3.17Å; K369-E397 WeakPolarHBondContact CE-OE2 3.28Å; K369-E397 IonicContact NZ-OE1 2.76Å; K369-E397 PolarHBondContact NZ-OE1 3.14Å; K369-E397 IonicContact NZ-OE2 3.97Å; K369-E397 PolarHBondContact NZ-OE2 3.41Å
370	E	91.5	Very high	91.4	Very high	94 Å²	94	55.9 Å²	55.9	44%	0.439	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	5.1	174.3	-68.1	176.8	-164.4	0	0	112.2	R366 L367 I368 K372	R366-E370 WeakPolarHBondContact CD-OE1 3.16Å; R366-E370 HydrophobicContact CG-CG 4.34Å; R366-E370 WeakPolarHBondContact CG-OE1 3.45Å; R366-E370 WeakPolarHBondContact O-CB 3.32Å; R366-E370 WeakPolarHBondContact O-CG 3.1Å; R366-E370 PolarHBondContact O-N 2.81Å; L367-E370 CarbonylContact O-C 3.3Å; L367-E370 PolarHBondContact O-N 2.88Å; I368-E370 VanDerWaalsContact C-N 3.3Å; I368-E370 PolarHBondContact O-N 3.35Å; E370-K372 HydrophobicContact CB-CD 3.98Å; E370-K372 HydrophobicContact CB-CG 4.11Å; E370-K372 PolarHBondContact O-N 3.37Å; E370-K372 VanDerWaalsContact O-N 3.14Å; E370-K372 WeakPolarHBondContact OE2-CD 3.35Å; E370-K372 VanDerWaalsContact OE2-CE 3.27Å; E370-K372 WeakPolarHBondContact OE2-CE 3.38Å; E370-K372 IonicContact OE2-NZ 3.85Å; E370-K372 PolarHBondContact OE2-NZ 2.97Å
371	E	89.2	Confident	91.9	Very high	154 Å²	154	55.4 Å²	55.4	72%	0.72	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	24.8	-176.9	-59.1	-178.5	175.4	0	0	114.3	L367 I368 K369 Y373	L367-E371 PolarHBondContact O-N 2.86Å; L367-E371 VanDerWaalsContact O-N 3.11Å; I368-E371 PolarHBondContact O-N 3.33Å; I368-E371 VanDerWaalsContact O-N 3.08Å; K369-E371 VanDerWaalsContact C-N 3.28Å; E371-Y373 HydrophobicContact CB-CD2 4.38Å; E371-Y373 HydrophobicContact CB-CE2 4.09Å; E371-Y373 HydrophobicContact CG-CE2 4.41Å; E371-Y373 VanDerWaalsContact O-CD2 3.31Å; E371-Y373 WeakPolarHBondContact O-CD2 3.47Å; E371-Y373 PolarHBondContact O-N 3.29Å
372	K	91.7	Very high	92	Very high	80 Å²	80	59 Å²	59	35%	0.348	29%	0.291	S	S	.	.			trans	-83	62.1	177.2	-71.4	171.8	168	175.2	0	111.2	L367 E370 S374 E375 A376	L367-K372 HydrophobicContact CB-CB 4.36Å; L367-K372 HydrophobicContact CD2-CB 3.91Å; L367-K372 HydrophobicContact CD2-CD 4Å; L367-K372 PolarHBondContact O-N 3.1Å; E370-K372 HydrophobicContact CB-CD 3.98Å; E370-K372 HydrophobicContact CB-CG 4.11Å; E370-K372 PolarHBondContact O-N 3.37Å; E370-K372 VanDerWaalsContact O-N 3.14Å; E370-K372 WeakPolarHBondContact OE2-CD 3.35Å; E370-K372 VanDerWaalsContact OE2-CE 3.27Å; E370-K372 WeakPolarHBondContact OE2-CE 3.38Å; E370-K372 IonicContact OE2-NZ 3.85Å; E370-K372 PolarHBondContact OE2-NZ 2.97Å; K372-S374 VanDerWaalsContact C-N 3.31Å; K372-S374 PolarHBondContact O-N 3.02Å; K372-E375 HydrophobicContact CB-CB 4.45Å; K372-E375 WeakPolarHBondContact CD-OE1 3.46Å; K372-E375 PolarHBondContact O-N 3.39Å; K372-A376 PolarHBondContact O-N 3.39Å; K372-A376 VanDerWaalsContact O-N 3.12Å
373	Y	90.3	Very high	92.2	Very high	24 Å²	24	55.1 Å²	55.1	9%	0.094	26%	0.258	C	S	.	.	H	α-helix	trans	-63.3	-33.1	-174.7	-72.6	-82.2	0	0	0	113.6	I368 E371 A376 L377 R408 F409 L412	I368-Y373 HydrophobicContact CD1-CD1 4.02Å; I368-Y373 HydrophobicContact CD1-CE1 3.88Å; E371-Y373 HydrophobicContact CB-CD2 4.38Å; E371-Y373 HydrophobicContact CB-CE2 4.09Å; E371-Y373 HydrophobicContact CG-CE2 4.41Å; E371-Y373 VanDerWaalsContact O-CD2 3.31Å; E371-Y373 WeakPolarHBondContact O-CD2 3.47Å; E371-Y373 PolarHBondContact O-N 3.29Å; Y373-A376 CarbonylContact O-C 3.54Å; Y373-A376 WeakPolarHBondContact O-CA 3.4Å; Y373-A376 WeakPolarHBondContact O-CB 3.12Å; Y373-A376 PolarHBondContact O-N 2.89Å; Y373-A376 VanDerWaalsContact O-N 3.08Å; Y373-L377 WeakPolarHBondContact O-CG 3.23Å; Y373-L377 PolarHBondContact O-N 3.48Å; Y373-R408 HydrophobicContact CE1-CG 4.25Å; Y373-R408 HydrophobicContact CE2-CG 4.34Å; Y373-F409 HydrophobicContact CD1-CB 4.43Å; Y373-F409 AromaticContact CD1-CD2 3.97Å; Y373-F409 HydrophobicContact CD1-CD2 3.97Å; Y373-F409 HydrophobicContact CE1-CB 4.3Å; Y373-L412 VanDerWaalsContact CB-CD1 3.44Å; Y373-L412 HydrophobicContact CD1-CD1 3.99Å; Y373-L412 HydrophobicContact CG-CD1 3.83Å
374	S	85.8	Confident	92.2	Very high	94 Å²	94	49.8 Å²	49.8	66%	0.657	24%	0.235	S	C	*	.	H	α-helix	trans	-60.7	-47.8	176.4	-46.5	0	0	0	0	111.9	K372 A376 L377 D378	K372-S374 VanDerWaalsContact C-N 3.31Å; K372-S374 PolarHBondContact O-N 3.02Å; S374-A376 PolarHBondContact O-N 3.04Å; S374-L377 WeakPolarHBondContact O-CB 3.29Å; S374-L377 PolarHBondContact O-N 3.33Å; S374-D378 PolarHBondContact O-N 3.25Å
375	E	91.1	Very high	91.8	Very high	77 Å²	77	55 Å²	55	36%	0.36	26%	0.26	S	S	.	.	H	α-helix	trans	-66.5	-27.2	174.4	-67.7	-179.3	-121.7	0	0	111.9	L367 K372 D378 V379	L367-E375 HydrophobicContact CD1-CB 3.86Å; L367-E375 HydrophobicContact CD2-CB 3.67Å; L367-E375 HydrophobicContact CD2-CG 4.37Å; L367-E375 WeakPolarHBondContact CD2-OE2 3.19Å; L367-E375 HydrophobicContact CG-CB 4.32Å; K372-E375 HydrophobicContact CB-CB 4.45Å; K372-E375 WeakPolarHBondContact CD-OE1 3.46Å; K372-E375 PolarHBondContact O-N 3.39Å; E375-D378 WeakPolarHBondContact O-CB 3.38Å; E375-D378 PolarHBondContact O-N 2.92Å; E375-V379 PolarHBondContact O-N 3.17Å
376	A	92.3	Very high	91.5	Very high	0 Å²	0	55 Å²	55	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-72.6	-34.4	176.4	0	0	0	0	0	111.9	F364 L367 I368 K372 Y373 S374 D378 V379 A380 F409	F364-A376 HydrophobicContact CD2-CB 4.14Å; F364-A376 HydrophobicContact CE2-CB 3.8Å; L367-A376 HydrophobicContact CB-CB 4.17Å; L367-A376 HydrophobicContact CD1-CB 4.48Å; I368-A376 HydrophobicContact CD1-CB 3.91Å; K372-A376 PolarHBondContact O-N 3.39Å; K372-A376 VanDerWaalsContact O-N 3.12Å; Y373-A376 CarbonylContact O-C 3.54Å; Y373-A376 WeakPolarHBondContact O-CA 3.4Å; Y373-A376 WeakPolarHBondContact O-CB 3.12Å; Y373-A376 PolarHBondContact O-N 2.89Å; Y373-A376 VanDerWaalsContact O-N 3.08Å; S374-A376 PolarHBondContact O-N 3.04Å; A376-D378 VanDerWaalsContact C-N 3.32Å; A376-V379 WeakPolarHBondContact O-CB 3.24Å; A376-V379 PolarHBondContact O-N 2.83Å; A376-A380 PolarHBondContact O-N 3.12Å; A376-F409 HydrophobicContact CB-CE2 3.82Å; A376-F409 HydrophobicContact CB-CZ 4.4Å
377	L	92.4	Very high	91.1	Very high	18 Å²	18	50.9 Å²	50.9	9%	0.094	26%	0.259	C	S	.	.	H	α-helix	trans	-62.1	-39.6	170.1	-68.6	169.6	0	0	0	110.9	Y373 S374 V379 A380 R381 F409 L412 I413 I419	Y373-L377 WeakPolarHBondContact O-CG 3.23Å; Y373-L377 PolarHBondContact O-N 3.48Å; S374-L377 WeakPolarHBondContact O-CB 3.29Å; S374-L377 PolarHBondContact O-N 3.33Å; L377-V379 PolarHBondContact O-N 2.79Å; L377-A380 CarbonylContact O-C 3.47Å; L377-A380 WeakPolarHBondContact O-CA 3.39Å; L377-A380 WeakPolarHBondContact O-CB 3.33Å; L377-A380 PolarHBondContact O-N 3.02Å; L377-R381 PolarHBondContact O-N 3.48Å; L377-F409 HydrophobicContact CD2-CD2 4.43Å; L377-F409 HydrophobicContact CD2-CE2 3.9Å; L377-F409 HydrophobicContact CD2-CZ 4.49Å; L377-F409 HydrophobicContact CG-CE2 4.25Å; L377-L412 HydrophobicContact CD1-CB 4.19Å; L377-L412 HydrophobicContact CD2-CB 4.07Å; L377-I413 HydrophobicContact CD2-CG1 3.66Å; L377-I419 HydrophobicContact CB-CD1 4.05Å; L377-I419 HydrophobicContact CD2-CD1 3.83Å; L377-I419 WeakPolarHBondContact O-CD1 3.31Å
378	D	92.8	Very high	90.9	Very high	75 Å²	75	51 Å²	51	40%	0.401	26%	0.26	S	S	.	.	H	α-helix	trans	-59.6	-34.2	175.5	-62.8	-29.5	0	0	0	112.2	S374 E375 A376 A380 R381 Q382	S374-D378 PolarHBondContact O-N 3.25Å; E375-D378 WeakPolarHBondContact O-CB 3.38Å; E375-D378 PolarHBondContact O-N 2.92Å; A376-D378 VanDerWaalsContact C-N 3.32Å; D378-A380 VanDerWaalsContact C-N 3.34Å; D378-R381 PolarHBondContact O-N 3.15Å; D378-R381 IonicContact OD1-CZ 3.31Å; D378-R381 IonicContact OD1-NH1 3.32Å; D378-R381 PolarHBondContact OD1-NH1 2.79Å; D378-R381 IonicContact OD1-NH2 2.74Å; D378-Q382 VanDerWaalsContact O-CB 3.27Å; D378-Q382 WeakPolarHBondContact O-CB 3.32Å; D378-Q382 PolarHBondContact O-N 3.48Å
379	V	93.2	Very high	91	Very high	12 Å²	12	53.9 Å²	53.9	7%	0.073	27%	0.273	C	S	.	.	H	α-helix	trans	-64.7	-39.5	173.9	178.5	0	0	0	0	111.2	R355 T356 K363 F364 L367 E375 A376 L377 Q383	R355-V379 HydrophobicContact CB-CG1 3.82Å; T356-V379 HydrophobicContact CG2-CG1 4.45Å; K363-V379 HydrophobicContact CD-CG2 4.17Å; F364-V379 HydrophobicContact CD2-CB 4.31Å; F364-V379 HydrophobicContact CD2-CG1 4.29Å; L367-V379 HydrophobicContact CD1-CG2 3.97Å; E375-V379 PolarHBondContact O-N 3.17Å; A376-V379 WeakPolarHBondContact O-CB 3.24Å; A376-V379 PolarHBondContact O-N 2.83Å; L377-V379 PolarHBondContact O-N 2.79Å; V379-Q383 WeakPolarHBondContact O-CG 3.34Å; V379-Q383 PolarHBondContact O-N 3.36Å; V379-Q383 PolarHBondContact O-NE2 2.96Å
380	A	94.3	Very high	91.4	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-68.5	-47.6	175.4	0	0	0	0	0	111.4	T356 A376 L377 D378 Q382 Q383 V384 F409 I419	T356-A380 HydrophobicContact CG2-CB 3.76Å; A376-A380 PolarHBondContact O-N 3.12Å; L377-A380 CarbonylContact O-C 3.47Å; L377-A380 WeakPolarHBondContact O-CA 3.39Å; L377-A380 WeakPolarHBondContact O-CB 3.33Å; L377-A380 PolarHBondContact O-N 3.02Å; D378-A380 VanDerWaalsContact C-N 3.34Å; A380-Q382 PolarHBondContact O-N 3.14Å; A380-Q383 WeakPolarHBondContact O-CB 3.42Å; A380-Q383 PolarHBondContact O-N 3.4Å; A380-Q383 VanDerWaalsContact O-N 3.14Å; A380-V384 PolarHBondContact O-N 2.75Å; A380-F409 HydrophobicContact CB-CZ 4.42Å; A380-I419 HydrophobicContact CB-CD1 3.74Å; A380-I419 HydrophobicContact CB-CG1 4.12Å; A380-I419 HydrophobicContact CB-CG2 3.89Å
381	R	93.9	Very high	91.7	Very high	47 Å²	47	45.4 Å²	45.4	18%	0.177	24%	0.235	C	C	.	.	H	α-helix	trans	-57.6	-47.4	179.3	-164.2	-172.9	-58.6	111	-0.4	111.5	L377 D378 Q383 V384 E385 E416 D418 I419	L377-R381 PolarHBondContact O-N 3.48Å; D378-R381 PolarHBondContact O-N 3.15Å; D378-R381 IonicContact OD1-CZ 3.31Å; D378-R381 IonicContact OD1-NH1 3.32Å; D378-R381 PolarHBondContact OD1-NH1 2.79Å; D378-R381 IonicContact OD1-NH2 2.74Å; R381-Q383 PolarHBondContact O-N 3.2Å; R381-V384 PolarHBondContact O-N 2.97Å; R381-E385 HydrophobicContact CG-CG 4.45Å; R381-E385 WeakPolarHBondContact O-CG 3.24Å; R381-E385 PolarHBondContact O-N 2.86Å; R381-E416 IonicContact CZ-OE1 3.21Å; R381-E416 VanDerWaalsContact CZ-OE1 3.26Å; R381-E416 IonicContact NE-OE1 2.94Å; R381-E416 PolarHBondContact NE-OE1 3.33Å; R381-E416 IonicContact NH2-OE1 2.75Å; R381-E416 PolarHBondContact NH2-OE1 2.87Å; R381-E416 IonicContact NH2-OE2 3.63Å; R381-E416 PolarHBondContact NH2-OE2 3.37Å; R381-D418 HydrophobicContact CG-CB 3.91Å; R381-I419 HydrophobicContact CB-CD1 4.34Å; R381-I419 HydrophobicContact CB-CG1 3.95Å; R381-I419 HydrophobicContact CG-CG1 4.47Å
382	Q	91.8	Very high	92.2	Very high	81 Å²	81	38.1 Å²	38.1	38%	0.379	20%	0.201	S	C	.	.	H	α-helix	trans	-59	-34.5	179.6	-172.4	66.2	66.8	0	0	112.7	D378 A380 N386	D378-Q382 VanDerWaalsContact O-CB 3.27Å; D378-Q382 WeakPolarHBondContact O-CB 3.32Å; D378-Q382 PolarHBondContact O-N 3.48Å; A380-Q382 PolarHBondContact O-N 3.14Å; Q382-N386 PolarHBondContact NE2-ND2 3.46Å; Q382-N386 PolarHBondContact NE2-OD1 2.97Å; Q382-N386 WeakPolarHBondContact O-CB 3.45Å; Q382-N386 PolarHBondContact O-N 2.93Å; Q382-N386 PolarHBondContact O-ND2 3.27Å; Q382-N386 PolarHBondContact O-OD1 3.18Å
383	Q	92.9	Very high	92.5	Very high	4 Å²	4	34.3 Å²	34.3	2%	0.019	18%	0.184	C	C	.	.	H	α-helix	trans	-67.9	-42.5	177	-70.2	178	99.1	0	0	111.5	G353 R355 T356 V379 A380 R381 N386 G387 A388 I391	G353-Q383 PolarHBondContact O-OE1 2.89Å; R355-Q383 HydrophobicContact CB-CG 4.08Å; R355-Q383 HydrophobicContact CG-CG 4.31Å; T356-Q383 PolarHBondContact OG1-NE2 3.08Å; V379-Q383 WeakPolarHBondContact O-CG 3.34Å; V379-Q383 PolarHBondContact O-N 3.36Å; V379-Q383 PolarHBondContact O-NE2 2.96Å; A380-Q383 WeakPolarHBondContact O-CB 3.42Å; A380-Q383 PolarHBondContact O-N 3.4Å; A380-Q383 VanDerWaalsContact O-N 3.14Å; R381-Q383 PolarHBondContact O-N 3.2Å; Q383-N386 CarbonylContact O-C 3.32Å; Q383-N386 PolarHBondContact O-N 3.44Å; Q383-G387 PolarHBondContact O-N 3.24Å; Q383-A388 HydrophobicContact CB-CB 4.13Å; Q383-A388 WeakPolarHBondContact O-CB 3.48Å; Q383-A388 PolarHBondContact O-N 2.83Å; Q383-I391 HydrophobicContact CB-CD1 3.5Å; Q383-I391 VanDerWaalsContact CB-CD1 3.5Å
384	V	90.8	Very high	92.8	Very high	6 Å²	6	33.5 Å²	33.5	4%	0.036	18%	0.182	C	C	.	.	H	α-helix	trans	-64.4	-44.4	176.8	179.8	0	0	0	0	110.9	A380 R381 N386 G387 I391 D418 V422	A380-V384 PolarHBondContact O-N 2.75Å; R381-V384 PolarHBondContact O-N 2.97Å; V384-N386 VanDerWaalsContact C-N 3.27Å; V384-N386 PolarHBondContact O-N 3.23Å; V384-G387 PolarHBondContact O-N 3.23Å; V384-G387 VanDerWaalsContact O-N 3.08Å; V384-I391 HydrophobicContact CG2-CD1 3.64Å; V384-I391 HydrophobicContact CG2-CG1 3.66Å; V384-D418 VanDerWaalsContact CG1-O 3.32Å; V384-D418 WeakPolarHBondContact CG1-O 3.44Å; V384-V422 HydrophobicContact CG1-CG1 4.01Å; V384-V422 HydrophobicContact CG1-CG2 4.44Å; V384-V422 HydrophobicContact CG2-CG2 3.6Å
385	E	88.4	Confident	93.3	Very high	111 Å²	111	29 Å²	29	52%	0.519	15%	0.15	S	C	.	.	H	α-helix	trans	-61.2	-35.5	174.7	-70.6	175.4	173.8	0	0	112.4	R381 G387	R381-E385 HydrophobicContact CG-CG 4.45Å; R381-E385 WeakPolarHBondContact O-CG 3.24Å; R381-E385 PolarHBondContact O-N 2.86Å; E385-G387 PolarHBondContact O-N 2.87Å
386	N	86.2	Confident	93.3	Very high	69 Å²	69	26.5 Å²	26.5	37%	0.369	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	10.1	176.6	-68	-11.7	0	0	0	113.5	Q382 Q383 V384 A592	Q382-N386 PolarHBondContact NE2-ND2 3.46Å; Q382-N386 PolarHBondContact NE2-OD1 2.97Å; Q382-N386 WeakPolarHBondContact O-CB 3.45Å; Q382-N386 PolarHBondContact O-N 2.93Å; Q382-N386 PolarHBondContact O-ND2 3.27Å; Q382-N386 PolarHBondContact O-OD1 3.18Å; Q383-N386 CarbonylContact O-C 3.32Å; Q383-N386 PolarHBondContact O-N 3.44Å; V384-N386 VanDerWaalsContact C-N 3.27Å; V384-N386 PolarHBondContact O-N 3.23Å; N386-A592 HydrophobicContact CB-CB 4.32Å; N386-A592 WeakPolarHBondContact O-CB 3.41Å
387	G	84.9	Confident	93	Very high	36 Å²	36	28 Å²	28	37%	0.371	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.6	17.4	171.9	0	0	0	0	0	115.7	Q383 V384 E385 Q389	Q383-G387 PolarHBondContact O-N 3.24Å; V384-G387 PolarHBondContact O-N 3.23Å; V384-G387 VanDerWaalsContact O-N 3.08Å; E385-G387 PolarHBondContact O-N 2.87Å; G387-Q389 PolarHBondContact O-N 3.02Å; G387-Q389 PolarHBondContact O-OE1 2.9Å
388	A	92.2	Very high	92.4	Very high	2 Å²	2	31.3 Å²	31.3	2%	0.017	19%	0.185	C	C	.	.			trans	-71.2	122.8	165.2	0	0	0	0	0	109.9	Q383 I391 A592	Q383-A388 HydrophobicContact CB-CB 4.13Å; Q383-A388 WeakPolarHBondContact O-CB 3.48Å; Q383-A388 PolarHBondContact O-N 2.83Å; A388-I391 HydrophobicContact CB-CD1 3.87Å; A388-A592 HydrophobicContact CB-CB 4.1Å
389	Q	96.3	Very high	91.9	Very high	63 Å²	63	35.4 Å²	35.4	29%	0.294	20%	0.203	S	C	.	.	S	Bend	trans	-91.2	-9.6	176	-56.5	100.6	-40.2	0	0	112.8	L341 V350 N351 G387 V422 P423	L341-Q389 HydrophobicContact CD1-CB 4.29Å; L341-Q389 HydrophobicContact CD2-CB 4.13Å; V350-Q389 HydrophobicContact CG1-CB 4.05Å; N351-Q389 PolarHBondContact O-N 3.37Å; N351-Q389 PolarHBondContact O-OE1 2.93Å; G387-Q389 PolarHBondContact O-N 3.02Å; G387-Q389 PolarHBondContact O-OE1 2.9Å; Q389-V422 WeakPolarHBondContact O-CB 3.27Å; Q389-P423 WeakPolarHBondContact O-CD 3.07Å
390	I	98.5	Very high	91.7	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	146.4	174.4	-58.3	168.8	0	0	0	106.9	L335 L341 V350 N351 V352 G353 P423 M425 I446	L335-I390 HydrophobicContact CD1-CD1 4.03Å; L341-I390 HydrophobicContact CD2-CD1 3.91Å; L341-I390 HydrophobicContact CD2-CG1 3.58Å; V350-I390 HydrophobicContact CG1-CD1 3.73Å; V350-I390 HydrophobicContact CG1-CG1 4.13Å; N351-I390 PolarHBondContact O-N 3.27Å; V352-I390 CarbonylContact C-O 3.46Å; V352-I390 WeakPolarHBondContact CA-O 3.15Å; V352-I390 HydrophobicContact CB-CB 4.38Å; V352-I390 HydrophobicContact CG1-CB 4.1Å; V352-I390 HydrophobicContact CG1-CG2 3.9Å; V352-I390 HydrophobicContact CG2-CB 4.09Å; V352-I390 HydrophobicContact CG2-CD1 4.17Å; V352-I390 HydrophobicContact CG2-CG2 4.41Å; G353-I390 PolarHBondContact N-O 2.83Å; I390-P423 WeakPolarHBondContact CA-O 3.49Å; I390-P423 HydrophobicContact CG1-CB 4.48Å; I390-P423 WeakPolarHBondContact CG2-O 3.37Å; I390-M425 HydrophobicContact CG2-CB 3.88Å; I390-M425 HydrophobicContact CG2-CE 4.44Å; I390-I446 HydrophobicContact CD1-CD1 3.76Å; I390-I446 HydrophobicContact CG2-CD1 4.29Å
391	I	97.7	Very high	91.5	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	123.3	175.7	-60.9	-66.7	0	0	0	110.3	T356 Q383 V384 A388 I393 V422 P423 I424 M425	T356-I391 HydrophobicContact CG2-CG2 4.26Å; T356-I391 VanDerWaalsContact OG1-CG2 3.23Å; T356-I391 WeakPolarHBondContact OG1-CG2 3.37Å; Q383-I391 HydrophobicContact CB-CD1 3.5Å; Q383-I391 VanDerWaalsContact CB-CD1 3.5Å; V384-I391 HydrophobicContact CG2-CD1 3.64Å; V384-I391 HydrophobicContact CG2-CG1 3.66Å; A388-I391 HydrophobicContact CB-CD1 3.87Å; I391-I393 HydrophobicContact CG2-CG1 4.07Å; I391-V422 HydrophobicContact CG1-CG2 3.81Å; I391-P423 PolarHBondContact N-O 2.8Å; I391-P423 VanDerWaalsContact N-O 3.17Å; I391-I424 HydrophobicContact CB-CD1 4.26Å; I391-M425 PolarHBondContact O-N 3.03Å
392	D	98.1	Very high	91.5	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.011	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	126.7	174.3	178.7	84.2	0	0	0	110.6	V352 G353 T356 M425 D427 N448	V352-D392 HydrophobicContact CG1-CB 3.88Å; G353-D392 WeakPolarHBondContact O-CB 3.35Å; G353-D392 PolarHBondContact O-N 3.14Å; G353-D392 VanDerWaalsContact O-N 3.08Å; T356-D392 VanDerWaalsContact CB-O 3.24Å; T356-D392 WeakPolarHBondContact CB-O 3.36Å; T356-D392 PolarHBondContact OG1-O 3.28Å; D392-M425 WeakPolarHBondContact CA-O 3.45Å; D392-M425 HydrophobicContact CB-CB 4.42Å; D392-M425 HydrophobicContact CB-SD 4.34Å; D392-D427 VanDerWaalsContact OD1-CB 3.29Å; D392-D427 WeakPolarHBondContact OD1-CB 3.33Å; D392-N448 PolarHBondContact OD1-ND2 3.03Å
393	I	98.1	Very high	91.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	113.9	-177.4	-59.2	-179.4	0	0	0	109.2	T356 I391 M395 M406 F409 L410 I413 I424 M425 D427	T356-I393 WeakPolarHBondContact O-CA 3.25Å; I391-I393 HydrophobicContact CG2-CG1 4.07Å; I393-M395 HydrophobicContact CG2-CE 4.07Å; I393-M406 HydrophobicContact CG2-CE 4.22Å; I393-M406 HydrophobicContact CG2-SD 3.78Å; I393-M406 WeakPolarHBondContact O-CE 3.37Å; I393-F409 HydrophobicContact CD1-CD1 4.19Å; I393-F409 HydrophobicContact CD1-CE1 4.12Å; I393-F409 HydrophobicContact CG1-CE1 4.46Å; I393-F409 HydrophobicContact CG2-CD1 3.88Å; I393-F409 HydrophobicContact CG2-CE1 4.26Å; I393-L410 HydrophobicContact CD1-CD2 3.63Å; I393-I413 HydrophobicContact CD1-CD1 3.28Å; I393-I424 HydrophobicContact CD1-CD1 4.19Å; I393-I424 HydrophobicContact CD1-CG2 3.7Å; I393-I424 HydrophobicContact CG1-CG2 4.19Å; I393-M425 PolarHBondContact N-O 3.05Å; I393-D427 WeakPolarHBondContact O-CA 3.27Å; I393-D427 PolarHBondContact O-N 3.3Å
394	N	97.2	Very high	91.8	Very high	7 Å²	7	41.4 Å²	41.4	4%	0.037	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	125.3	177.7	-178.3	-66.6	0	0	0	111.3	T356 N357 V358 D396 D427	T356-N394 PolarHBondContact O-N 3.47Å; T356-N394 VanDerWaalsContact O-N 3.08Å; N357-N394 HydrophobicContact CB-CB 4.1Å; N357-N394 VanDerWaalsContact ND2-CB 3.34Å; N357-N394 WeakPolarHBondContact ND2-CB 3.44Å; V358-N394 WeakPolarHBondContact CG2-O 3.39Å; V358-N394 PolarHBondContact N-O 3.45Å; N394-D396 PolarHBondContact OD1-N 3.49Å; N394-D427 WeakPolarHBondContact CA-O 3.49Å; N394-D427 HydrophobicContact CB-CB 3.94Å; N394-D427 WeakPolarHBondContact CB-OD2 3.38Å; N394-D427 PolarHBondContact ND2-OD1 3.08Å; N394-D427 PolarHBondContact ND2-OD2 3.05Å
395	M	96.4	Very high	92	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	25%	0.246	C	C	.	.			trans	-114.1	15.2	178.9	-63	-64	-177.4	0	0	113.1	V358 F364 I368 I393 E397 L400 A402 A405 M406 F409	V358-M395 HydrophobicContact CG2-SD 3.85Å; F364-M395 HydrophobicContact CE1-CE 4.07Å; F364-M395 HydrophobicContact CE1-SD 4.16Å; F364-M395 HydrophobicContact CZ-CE 3.84Å; I368-M395 HydrophobicContact CD1-CE 4.02Å; I368-M395 HydrophobicContact CD1-SD 4.38Å; I368-M395 HydrophobicContact CG1-CE 4.44Å; I368-M395 HydrophobicContact CG1-SD 4.24Å; I368-M395 HydrophobicContact CG2-SD 4.16Å; I393-M395 HydrophobicContact CG2-CE 4.07Å; M395-E397 PolarHBondContact O-N 2.66Å; M395-E397 VanDerWaalsContact O-N 3.13Å; M395-L400 HydrophobicContact CB-CD2 4.33Å; M395-L400 HydrophobicContact SD-CD2 4.48Å; M395-A402 HydrophobicContact CB-CB 4.38Å; M395-A402 WeakPolarHBondContact O-CB 3.36Å; M395-A405 HydrophobicContact CB-CB 4.37Å; M395-A405 HydrophobicContact CG-CB 4.25Å; M395-A405 HydrophobicContact SD-CB 4.18Å; M395-M406 HydrophobicContact CB-CE 4.29Å; M395-M406 HydrophobicContact CG-CB 4.22Å; M395-M406 HydrophobicContact CG-CE 4.04Å; M395-M406 HydrophobicContact CG-SD 4.38Å; M395-F409 HydrophobicContact CE-CB 3.45Å; M395-F409 VanDerWaalsContact CE-CB 3.45Å; M395-F409 HydrophobicContact CE-CD1 3.37Å; M395-F409 HydrophobicContact CE-CE1 4.23Å; M395-F409 HydrophobicContact CE-CG 3.54Å
396	D	90.8	Very high	92.4	Very high	23 Å²	23	36 Å²	36	12%	0.123	22%	0.222	C	C	.	.			trans	-74.5	106.2	-176.1	-81.2	1.3	0	0	0	111.2	T359 N394 S428 S429	T359-D396 WeakPolarHBondContact CG2-O 3.43Å; N394-D396 PolarHBondContact OD1-N 3.49Å; D396-S428 WeakPolarHBondContact OD1-CB 3.31Å; D396-S428 PolarHBondContact OD1-OG 3.19Å; D396-S428 PolarHBondContact OD2-OG 3.43Å; D396-S429 WeakPolarHBondContact OD2-CB 3.34Å; D396-S429 PolarHBondContact OD2-N 2.83Å; D396-S429 PolarHBondContact OD2-OG 2.99Å
397	E	86.1	Confident	93	Very high	32 Å²	32	34.7 Å²	34.7	15%	0.15	22%	0.216	C	C	.	.			trans	-151.1	135.3	173.2	-151	-89	179.4	0	0	110.8	V358 K365 K369 M395 M399 L400	V358-E397 HydrophobicContact CG1-CB 3.74Å; V358-E397 HydrophobicContact CG1-CG 3.88Å; K365-E397 WeakPolarHBondContact CE-OE1 3.29Å; K365-E397 IonicContact NZ-OE1 3.77Å; K365-E397 PolarHBondContact NZ-OE1 3.08Å; K365-E397 VanDerWaalsContact NZ-OE1 3.16Å; K369-E397 VanDerWaalsContact CE-CD 3.41Å; K369-E397 VanDerWaalsContact CE-OE1 3.27Å; K369-E397 WeakPolarHBondContact CE-OE1 3.17Å; K369-E397 WeakPolarHBondContact CE-OE2 3.28Å; K369-E397 IonicContact NZ-OE1 2.76Å; K369-E397 PolarHBondContact NZ-OE1 3.14Å; K369-E397 IonicContact NZ-OE2 3.97Å; K369-E397 PolarHBondContact NZ-OE2 3.41Å; M395-E397 PolarHBondContact O-N 2.66Å; M395-E397 VanDerWaalsContact O-N 3.13Å; E397-M399 PolarHBondContact O-N 3.12Å; E397-M399 WeakPolarHBondContact OE2-CA 3.43Å; E397-M399 WeakPolarHBondContact OE2-CB 3.32Å; E397-M399 PolarHBondContact OE2-N 3.31Å; E397-L400 HydrophobicContact CB-CB 3.98Å; E397-L400 PolarHBondContact O-N 2.66Å
398	G	80.4	Confident	93.5	Very high	88 Å²	88	37.8 Å²	37.8	91%	0.907	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-17.9	-170	0	0	0	0	0	116
399	M	82.6	Confident	93.7	Very high	160 Å²	160	37.7 Å²	37.7	79%	0.788	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.5	3.1	177.5	-60.8	-172.9	-71.6	0	0	113.2	E397	E397-M399 PolarHBondContact O-N 3.12Å; E397-M399 WeakPolarHBondContact OE2-CA 3.43Å; E397-M399 WeakPolarHBondContact OE2-CB 3.32Å; E397-M399 PolarHBondContact OE2-N 3.31Å
400	L	87.6	Confident	93.8	Very high	38 Å²	38	34.9 Å²	34.9	20%	0.199	20%	0.203	C	C	.	.	S	Bend	trans	-102.5	139.6	178	-173.6	66.9	0	0	0	110.2	V358 I368 M395 E397 A402 A405	V358-L400 HydrophobicContact CG2-CD2 4.45Å; I368-L400 HydrophobicContact CG2-CD1 4.03Å; I368-L400 HydrophobicContact CG2-CD2 3.66Å; M395-L400 HydrophobicContact CB-CD2 4.33Å; M395-L400 HydrophobicContact SD-CD2 4.48Å; E397-L400 HydrophobicContact CB-CB 3.98Å; E397-L400 PolarHBondContact O-N 2.66Å; L400-A402 VanDerWaalsContact C-N 3.3Å; L400-A402 PolarHBondContact O-N 3.45Å; L400-A405 HydrophobicContact CD1-CB 4.13Å; L400-A405 HydrophobicContact CD2-CB 3.8Å; L400-A405 HydrophobicContact CG-CB 3.98Å
401	D	91.2	Very high	93.7	Very high	102 Å²	102	35.5 Å²	35.5	55%	0.545	21%	0.206	S	C	.	.			trans	-72.4	91.4	162.1	-173.5	-22.4	0	0	0	108.4	E403 A404 A405	D401-E403 VanDerWaalsContact C-N 3.28Å; D401-E403 PolarHBondContact O-N 2.85Å; D401-E403 PolarHBondContact OD1-N 3.21Å; D401-A404 HydrophobicContact CB-CB 4.04Å; D401-A404 VanDerWaalsContact CG-CB 3.47Å; D401-A404 PolarHBondContact O-N 3.42Å; D401-A404 PolarHBondContact OD1-N 3.11Å; D401-A405 VanDerWaalsContact O-CB 3.25Å; D401-A405 WeakPolarHBondContact O-CB 3.41Å; D401-A405 PolarHBondContact O-N 2.85Å
402	A	93.8	Very high	93.6	Very high	5 Å²	5	36.3 Å²	36.3	4%	0.041	21%	0.21	C	C	.	.	H	α-helix	trans	-62	-34.5	-175	0	0	0	0	0	112.4	M395 L400 M406 V433	M395-A402 HydrophobicContact CB-CB 4.38Å; M395-A402 WeakPolarHBondContact O-CB 3.36Å; L400-A402 VanDerWaalsContact C-N 3.3Å; L400-A402 PolarHBondContact O-N 3.45Å; A402-M406 WeakPolarHBondContact O-CB 3.28Å; A402-M406 PolarHBondContact O-N 3.42Å; A402-V433 HydrophobicContact CB-CG1 4.4Å; A402-V433 HydrophobicContact CB-CG2 3.78Å
403	E	95.3	Very high	93.5	Very high	74 Å²	74	36.5 Å²	36.5	35%	0.346	21%	0.211	S	C	.	.	H	α-helix	trans	-67.3	-51.5	177.8	-69.8	179.7	-136.6	0	0	110.6	D401 A405 M406 V407 V433 K436	D401-E403 VanDerWaalsContact C-N 3.28Å; D401-E403 PolarHBondContact O-N 2.85Å; D401-E403 PolarHBondContact OD1-N 3.21Å; E403-A405 PolarHBondContact O-N 3.22Å; E403-M406 PolarHBondContact O-N 3.37Å; E403-V407 WeakPolarHBondContact O-CG2 3.33Å; E403-V407 PolarHBondContact O-N 2.85Å; E403-V433 HydrophobicContact CG-CG2 3.78Å; E403-K436 HydrophobicContact CB-CG 4.46Å; E403-K436 HydrophobicContact CG-CG 4.37Å
404	A	94.6	Very high	93.1	Very high	52 Å²	52	37.3 Å²	37.3	43%	0.43	22%	0.218	S	C	.	.	H	α-helix	trans	-63.7	-41.4	180	0	0	0	0	0	111.9	D401 R408	D401-A404 HydrophobicContact CB-CB 4.04Å; D401-A404 VanDerWaalsContact CG-CB 3.47Å; D401-A404 PolarHBondContact O-N 3.42Å; D401-A404 PolarHBondContact OD1-N 3.11Å; A404-R408 VanDerWaalsContact O-CB 3.27Å; A404-R408 WeakPolarHBondContact O-CB 3.43Å; A404-R408 PolarHBondContact O-N 2.98Å
405	A	95.3	Very high	92.5	Very high	3 Å²	3	38.4 Å²	38.4	3%	0.025	23%	0.231	C	C	.	.	H	α-helix	trans	-66.2	-41.2	178.2	0	0	0	0	0	112.2	M395 L400 D401 E403 F409	M395-A405 HydrophobicContact CB-CB 4.37Å; M395-A405 HydrophobicContact CG-CB 4.25Å; M395-A405 HydrophobicContact SD-CB 4.18Å; L400-A405 HydrophobicContact CD1-CB 4.13Å; L400-A405 HydrophobicContact CD2-CB 3.8Å; L400-A405 HydrophobicContact CG-CB 3.98Å; D401-A405 VanDerWaalsContact O-CB 3.25Å; D401-A405 WeakPolarHBondContact O-CB 3.41Å; D401-A405 PolarHBondContact O-N 2.85Å; E403-A405 PolarHBondContact O-N 3.22Å; A405-F409 VanDerWaalsContact O-CB 3.28Å; A405-F409 WeakPolarHBondContact O-CB 3.39Å; A405-F409 PolarHBondContact O-N 3.03Å
406	M	97.6	Very high	92.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-61.9	-51.8	176	-177.1	65	76.2	0	0	111	I393 M395 A402 E403 R408 F409 L410 I426 V433	I393-M406 HydrophobicContact CG2-CE 4.22Å; I393-M406 HydrophobicContact CG2-SD 3.78Å; I393-M406 WeakPolarHBondContact O-CE 3.37Å; M395-M406 HydrophobicContact CB-CE 4.29Å; M395-M406 HydrophobicContact CG-CB 4.22Å; M395-M406 HydrophobicContact CG-CE 4.04Å; M395-M406 HydrophobicContact CG-SD 4.38Å; A402-M406 WeakPolarHBondContact O-CB 3.28Å; A402-M406 PolarHBondContact O-N 3.42Å; E403-M406 PolarHBondContact O-N 3.37Å; M406-R408 PolarHBondContact O-N 3.42Å; M406-F409 PolarHBondContact O-N 3.41Å; M406-L410 HydrophobicContact CG-CD1 3.8Å; M406-L410 HydrophobicContact CG-CG 4.46Å; M406-L410 WeakPolarHBondContact O-CB 3.35Å; M406-L410 VanDerWaalsContact O-CG 3.3Å; M406-L410 WeakPolarHBondContact O-CG 3.47Å; M406-L410 PolarHBondContact O-N 2.89Å; M406-L410 HydrophobicContact SD-CD1 3.75Å; M406-L410 HydrophobicContact SD-CG 4.07Å; M406-I426 HydrophobicContact CE-CG2 4.05Å; M406-I426 HydrophobicContact SD-CG2 4.34Å; M406-V433 HydrophobicContact CB-CG1 3.98Å; M406-V433 HydrophobicContact CE-CG1 3.89Å; M406-V433 HydrophobicContact CG-CG1 4.14Å
407	V	97.5	Very high	91.9	Very high	41 Å²	41	39.5 Å²	39.5	25%	0.248	24%	0.237	C	C	.	.	H	α-helix	trans	-58.9	-49.3	179	170.5	0	0	0	0	110.9	E403 F409 L410 N411 K436	E403-V407 WeakPolarHBondContact O-CG2 3.33Å; E403-V407 PolarHBondContact O-N 2.85Å; V407-F409 PolarHBondContact O-N 3.19Å; V407-L410 PolarHBondContact O-N 2.84Å; V407-N411 WeakPolarHBondContact O-CB 3.39Å; V407-N411 PolarHBondContact O-N 2.71Å; V407-N411 PolarHBondContact O-OD1 3.15Å; V407-K436 HydrophobicContact CG2-CB 3.85Å
408	R	95.7	Very high	92	Very high	101 Å²	101	41.5 Å²	41.5	38%	0.381	25%	0.249	S	C	.	.	H	α-helix	trans	-61.3	-45.8	-178.9	-175.9	167	-178.4	81.8	2.7	111.5	D141 A143 Y373 A404 M406 L412	D141-R408 IonicContact OD1-NH1 2.78Å; D141-R408 IonicContact OD2-NH1 3.15Å; A143-R408 HydrophobicContact CB-CG 4.19Å; Y373-R408 HydrophobicContact CE1-CG 4.25Å; Y373-R408 HydrophobicContact CE2-CG 4.34Å; A404-R408 VanDerWaalsContact O-CB 3.27Å; A404-R408 WeakPolarHBondContact O-CB 3.43Å; A404-R408 PolarHBondContact O-N 2.98Å; M406-R408 PolarHBondContact O-N 3.42Å; R408-L412 HydrophobicContact CG-CD1 4.34Å; R408-L412 VanDerWaalsContact O-CG 3.28Å; R408-L412 WeakPolarHBondContact O-CG 3.49Å; R408-L412 PolarHBondContact O-N 3.05Å; R408-L412 VanDerWaalsContact O-N 3.12Å
409	F	97.4	Very high	92.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-69.3	-40.3	-178	-168.8	-123.2	0	0	0	112.7	T356 F364 Y373 A376 L377 A380 I393 M395 A405 M406 V407 L412 I413	T356-F409 HydrophobicContact CG2-CE1 4.12Å; T356-F409 HydrophobicContact CG2-CZ 4.21Å; F364-F409 AromaticContact CE2-CE1 3.9Å; F364-F409 HydrophobicContact CE2-CE1 3.9Å; F364-F409 HydrophobicContact CE2-CE2 4.21Å; F364-F409 AromaticContact CE2-CZ 3.6Å; F364-F409 HydrophobicContact CE2-CZ 3.6Å; F364-F409 HydrophobicContact CZ-CD1 4.14Å; F364-F409 AromaticContact CZ-CE1 3.62Å; F364-F409 HydrophobicContact CZ-CE1 3.62Å; F364-F409 HydrophobicContact CZ-CE2 4.45Å; F364-F409 AromaticContact CZ-CZ 3.81Å; F364-F409 HydrophobicContact CZ-CZ 3.81Å; Y373-F409 HydrophobicContact CD1-CB 4.43Å; Y373-F409 AromaticContact CD1-CD2 3.97Å; Y373-F409 HydrophobicContact CD1-CD2 3.97Å; Y373-F409 HydrophobicContact CE1-CB 4.3Å; A376-F409 HydrophobicContact CB-CE2 3.82Å; A376-F409 HydrophobicContact CB-CZ 4.4Å; L377-F409 HydrophobicContact CD2-CD2 4.43Å; L377-F409 HydrophobicContact CD2-CE2 3.9Å; L377-F409 HydrophobicContact CD2-CZ 4.49Å; L377-F409 HydrophobicContact CG-CE2 4.25Å; A380-F409 HydrophobicContact CB-CZ 4.42Å; I393-F409 HydrophobicContact CD1-CD1 4.19Å; I393-F409 HydrophobicContact CD1-CE1 4.12Å; I393-F409 HydrophobicContact CG1-CE1 4.46Å; I393-F409 HydrophobicContact CG2-CD1 3.88Å; I393-F409 HydrophobicContact CG2-CE1 4.26Å; M395-F409 HydrophobicContact CE-CB 3.45Å; M395-F409 VanDerWaalsContact CE-CB 3.45Å; M395-F409 HydrophobicContact CE-CD1 3.37Å; M395-F409 HydrophobicContact CE-CE1 4.23Å; M395-F409 HydrophobicContact CE-CG 3.54Å; A405-F409 VanDerWaalsContact O-CB 3.28Å; A405-F409 WeakPolarHBondContact O-CB 3.39Å; A405-F409 PolarHBondContact O-N 3.03Å; M406-F409 PolarHBondContact O-N 3.41Å; V407-F409 PolarHBondContact O-N 3.19Å; F409-L412 WeakPolarHBondContact O-CB 3.29Å; F409-L412 PolarHBondContact O-N 3.04Å; F409-I413 HydrophobicContact CD1-CD1 3.81Å; F409-I413 HydrophobicContact CE1-CD1 3.56Å; F409-I413 HydrophobicContact CE1-CG1 4.36Å; F409-I413 HydrophobicContact CG-CD1 4.46Å; F409-I413 HydrophobicContact CZ-CD1 4.01Å; F409-I413 HydrophobicContact CZ-CG1 4.39Å; F409-I413 WeakPolarHBondContact O-CG1 3.34Å; F409-I413 PolarHBondContact O-N 3.09Å
410	L	98.1	Very high	93.1	Very high	4 Å²	4	30.2 Å²	30.2	2%	0.021	17%	0.173	C	C	.	.	H	α-helix	trans	-66.3	-39.8	176.1	-70.2	174	0	0	0	112.4	I393 M406 V407 L412 I413 A414 I424 C440 I441	I393-L410 HydrophobicContact CD1-CD2 3.63Å; M406-L410 HydrophobicContact CG-CD1 3.8Å; M406-L410 HydrophobicContact CG-CG 4.46Å; M406-L410 WeakPolarHBondContact O-CB 3.35Å; M406-L410 VanDerWaalsContact O-CG 3.3Å; M406-L410 WeakPolarHBondContact O-CG 3.47Å; M406-L410 PolarHBondContact O-N 2.89Å; M406-L410 HydrophobicContact SD-CD1 3.75Å; M406-L410 HydrophobicContact SD-CG 4.07Å; V407-L410 PolarHBondContact O-N 2.84Å; L410-L412 VanDerWaalsContact C-N 3.25Å; L410-L412 PolarHBondContact O-N 3.36Å; L410-I413 PolarHBondContact O-N 2.97Å; L410-A414 PolarHBondContact O-N 3.11Å; L410-I424 HydrophobicContact CD2-CG2 3.87Å; L410-C440 HydrophobicContact CB-CB 3.8Å; L410-C440 HydrophobicContact CD1-CB 4.07Å; L410-I441 HydrophobicContact CD1-CG2 4.33Å; L410-I441 HydrophobicContact CD2-CG2 4.11Å
411	N	96.9	Very high	93.5	Very high	14 Å²	14	32.9 Å²	32.9	8%	0.075	18%	0.18	C	C	.	.	H	α-helix	trans	-63.4	-33.7	174.9	-72.3	-2.6	0	0	0	112.1	A143 R145 V407 C440	A143-N411 HydrophobicContact CB-CB 4.15Å; A143-N411 WeakPolarHBondContact O-CB 3.31Å; A143-N411 PolarHBondContact O-ND2 3.02Å; R145-N411 PolarHBondContact NH2-O 2.95Å; V407-N411 WeakPolarHBondContact O-CB 3.39Å; V407-N411 PolarHBondContact O-N 2.71Å; V407-N411 PolarHBondContact O-OD1 3.15Å; N411-C440 PolarHBondContact OD1-SG 3.08Å; N411-C440 VanDerWaalsContact OD1-SG 3.35Å
412	L	94.8	Very high	93.8	Very high	17 Å²	17	28.9 Å²	28.9	9%	0.089	16%	0.159	C	C	.	.	H	α-helix	trans	-71.4	-43	173.5	-72.7	172.6	0	0	0	112.2	P142 A143 Y373 L377 R408 F409 L410 A414 G415	P142-L412 HydrophobicContact CB-CD2 4.14Å; P142-L412 HydrophobicContact CG-CD2 3.7Å; A143-L412 HydrophobicContact CB-CD2 3.78Å; A143-L412 HydrophobicContact CB-CG 3.78Å; Y373-L412 VanDerWaalsContact CB-CD1 3.44Å; Y373-L412 HydrophobicContact CD1-CD1 3.99Å; Y373-L412 HydrophobicContact CG-CD1 3.83Å; L377-L412 HydrophobicContact CD1-CB 4.19Å; L377-L412 HydrophobicContact CD2-CB 4.07Å; R408-L412 HydrophobicContact CG-CD1 4.34Å; R408-L412 VanDerWaalsContact O-CG 3.28Å; R408-L412 WeakPolarHBondContact O-CG 3.49Å; R408-L412 PolarHBondContact O-N 3.05Å; R408-L412 VanDerWaalsContact O-N 3.12Å; F409-L412 WeakPolarHBondContact O-CB 3.29Å; F409-L412 PolarHBondContact O-N 3.04Å; L410-L412 VanDerWaalsContact C-N 3.25Å; L410-L412 PolarHBondContact O-N 3.36Å; L412-A414 PolarHBondContact O-N 3.33Å; L412-G415 PolarHBondContact O-N 3.14Å
413	I	95.4	Very high	94	Very high	5 Å²	5	28.7 Å²	28.7	3%	0.026	16%	0.158	C	C	.	.	H	α-helix	trans	-57.9	-39.7	174.1	-75.3	173.1	0	0	0	110.8	L377 I393 F409 L410 G415 E416 I419 A420 I424	L377-I413 HydrophobicContact CD2-CG1 3.66Å; I393-I413 HydrophobicContact CD1-CD1 3.28Å; F409-I413 HydrophobicContact CD1-CD1 3.81Å; F409-I413 HydrophobicContact CE1-CD1 3.56Å; F409-I413 HydrophobicContact CE1-CG1 4.36Å; F409-I413 HydrophobicContact CG-CD1 4.46Å; F409-I413 HydrophobicContact CZ-CD1 4.01Å; F409-I413 HydrophobicContact CZ-CG1 4.39Å; F409-I413 WeakPolarHBondContact O-CG1 3.34Å; F409-I413 PolarHBondContact O-N 3.09Å; L410-I413 PolarHBondContact O-N 2.97Å; I413-G415 PolarHBondContact O-N 3.18Å; I413-G415 VanDerWaalsContact O-N 3.13Å; I413-E416 CarbonylContact O-C 3.59Å; I413-E416 PolarHBondContact O-N 2.71Å; I413-I419 HydrophobicContact CD1-CG2 4.31Å; I413-I419 HydrophobicContact CG1-CD1 4.43Å; I413-I419 HydrophobicContact CG1-CG2 4.15Å; I413-I419 HydrophobicContact CG2-CB 4.21Å; I413-I419 HydrophobicContact CG2-CG2 3.72Å; I413-A420 HydrophobicContact CG2-CB 4.38Å; I413-I424 HydrophobicContact CG2-CD1 4.23Å
414	A	90.2	Very high	94.2	Very high	18 Å²	18	25.8 Å²	25.8	15%	0.149	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-21.4	178.1	0	0	0	0	0	113.6	L410 L412	L410-A414 PolarHBondContact O-N 3.11Å; L412-A414 PolarHBondContact O-N 3.33Å
415	G	85.3	Confident	94.4	Very high	30 Å²	30	23.3 Å²	23.3	31%	0.309	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	4	172.1	0	0	0	0	0	114.6	L412 I413	L412-G415 PolarHBondContact O-N 3.14Å; I413-G415 PolarHBondContact O-N 3.18Å; I413-G415 VanDerWaalsContact O-N 3.13Å
416	E	89.3	Confident	94.5	Very high	24 Å²	24	23.2 Å²	23.2	11%	0.112	12%	0.123	C	C	.	.			trans	-124	93.2	-178.5	-176.9	66.1	-149.7	0	0	110.3	R381 I413 D418 I419 A420	R381-E416 IonicContact CZ-OE1 3.21Å; R381-E416 VanDerWaalsContact CZ-OE1 3.26Å; R381-E416 IonicContact NE-OE1 2.94Å; R381-E416 PolarHBondContact NE-OE1 3.33Å; R381-E416 IonicContact NH2-OE1 2.75Å; R381-E416 PolarHBondContact NH2-OE1 2.87Å; R381-E416 IonicContact NH2-OE2 3.63Å; R381-E416 PolarHBondContact NH2-OE2 3.37Å; I413-E416 CarbonylContact O-C 3.59Å; I413-E416 PolarHBondContact O-N 2.71Å; E416-D418 PolarHBondContact O-N 3.35Å; E416-I419 HydrophobicContact CB-CD1 3.93Å; E416-I419 HydrophobicContact CB-CG1 4.39Å; E416-I419 HydrophobicContact CG-CB 4.32Å; E416-I419 HydrophobicContact CG-CD1 3.43Å; E416-I419 VanDerWaalsContact CG-CD1 3.43Å; E416-I419 HydrophobicContact CG-CG1 3.7Å; E416-I419 WeakPolarHBondContact O-CA 3.14Å; E416-I419 WeakPolarHBondContact O-CB 3.23Å; E416-I419 PolarHBondContact O-N 3.26Å; E416-A420 PolarHBondContact O-N 3.33Å
417	P	85.6	Confident	94.5	Very high	21 Å²	21	24.5 Å²	24.5	14%	0.136	13%	0.13	C	C	.	.	H	α-helix	trans	-68.2	-31.1	-168.8	-20.1	32	0	0	0	114.7	L338 I419 A420 R421 E960	L338-P417 HydrophobicContact CD1-CB 3.77Å; P417-I419 PolarHBondContact O-N 3.5Å; P417-I419 VanDerWaalsContact O-N 3.12Å; P417-A420 PolarHBondContact O-N 2.88Å; P417-R421 VanDerWaalsContact O-CB 3.27Å; P417-R421 WeakPolarHBondContact O-CB 3.15Å; P417-R421 WeakPolarHBondContact O-CG 3.33Å; P417-R421 PolarHBondContact O-N 2.94Å; P417-E960 HydrophobicContact CB-CB 3.88Å; P417-E960 HydrophobicContact CB-CG 4.25Å; P417-E960 HydrophobicContact CG-CB 3.13Å; P417-E960 HydrophobicContact CG-CG 3.41Å; P417-E960 VanDerWaalsContact CG-CG 3.41Å; P417-E960 WeakPolarHBondContact CG-O 3.41Å
418	D	87.1	Confident	94.5	Very high	75 Å²	75	22.7 Å²	22.7	40%	0.401	12%	0.119	S	C	.	.	H	α-helix	trans	-58.5	-25.2	174.2	-74.3	-29.3	0	0	0	111.3	R381 V384 E416 R421	R381-D418 HydrophobicContact CG-CB 3.91Å; V384-D418 VanDerWaalsContact CG1-O 3.32Å; V384-D418 WeakPolarHBondContact CG1-O 3.44Å; E416-D418 PolarHBondContact O-N 3.35Å; D418-R421 PolarHBondContact O-NE 2.87Å
419	I	92	Very high	94.3	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-93.6	-52.9	170.6	-51.8	166.6	0	0	0	110.6	L377 A380 R381 I413 E416 P417 R421 V422	L377-I419 HydrophobicContact CB-CD1 4.05Å; L377-I419 HydrophobicContact CD2-CD1 3.83Å; L377-I419 WeakPolarHBondContact O-CD1 3.31Å; A380-I419 HydrophobicContact CB-CD1 3.74Å; A380-I419 HydrophobicContact CB-CG1 4.12Å; A380-I419 HydrophobicContact CB-CG2 3.89Å; R381-I419 HydrophobicContact CB-CD1 4.34Å; R381-I419 HydrophobicContact CB-CG1 3.95Å; R381-I419 HydrophobicContact CG-CG1 4.47Å; I413-I419 HydrophobicContact CD1-CG2 4.31Å; I413-I419 HydrophobicContact CG1-CD1 4.43Å; I413-I419 HydrophobicContact CG1-CG2 4.15Å; I413-I419 HydrophobicContact CG2-CB 4.21Å; I413-I419 HydrophobicContact CG2-CG2 3.72Å; E416-I419 HydrophobicContact CB-CD1 3.93Å; E416-I419 HydrophobicContact CB-CG1 4.39Å; E416-I419 HydrophobicContact CG-CB 4.32Å; E416-I419 HydrophobicContact CG-CD1 3.43Å; E416-I419 VanDerWaalsContact CG-CD1 3.43Å; E416-I419 HydrophobicContact CG-CG1 3.7Å; E416-I419 WeakPolarHBondContact O-CA 3.14Å; E416-I419 WeakPolarHBondContact O-CB 3.23Å; E416-I419 PolarHBondContact O-N 3.26Å; P417-I419 PolarHBondContact O-N 3.5Å; P417-I419 VanDerWaalsContact O-N 3.12Å; I419-R421 PolarHBondContact O-N 3.02Å; I419-V422 VanDerWaalsContact O-CG2 3.25Å; I419-V422 WeakPolarHBondContact O-CG2 3.36Å; I419-V422 PolarHBondContact O-N 3.08Å
420	A	94.4	Very high	94.2	Very high	11 Å²	11	28.2 Å²	28.2	9%	0.091	16%	0.159	C	C	.	.	H	α-helix	trans	-63.9	-17.2	-172	0	0	0	0	0	113.6	G337 L338 I413 E416 P417 V422	G337-A420 CarbonylContact C-O 3.58Å; G337-A420 VanDerWaalsContact C-O 3.32Å; G337-A420 WeakPolarHBondContact CA-O 3.49Å; L338-A420 HydrophobicContact CD1-CB 3.86Å; L338-A420 HydrophobicContact CD2-CB 4.49Å; L338-A420 HydrophobicContact CG-CB 3.89Å; L338-A420 PolarHBondContact N-O 3.27Å; I413-A420 HydrophobicContact CG2-CB 4.38Å; E416-A420 PolarHBondContact O-N 3.33Å; P417-A420 PolarHBondContact O-N 2.88Å; A420-V422 PolarHBondContact O-N 2.88Å
421	R	96	Very high	94.1	Very high	93 Å²	93	29.7 Å²	29.7	35%	0.351	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-32.4	174.9	70.1	-178	-172.6	167	3.6	113.7	G337 L338 E339 P417 D418 I419	G337-R421 WeakPolarHBondContact CA-O 3.28Å; L338-R421 HydrophobicContact CB-CB 4.49Å; L338-R421 PolarHBondContact N-O 3.43Å; E339-R421 HydrophobicContact CG-CB 4.23Å; E339-R421 PolarHBondContact N-O 3.43Å; E339-R421 VanDerWaalsContact N-O 3.08Å; P417-R421 VanDerWaalsContact O-CB 3.27Å; P417-R421 WeakPolarHBondContact O-CB 3.15Å; P417-R421 WeakPolarHBondContact O-CG 3.33Å; P417-R421 PolarHBondContact O-N 2.94Å; D418-R421 PolarHBondContact O-NE 2.87Å; I419-R421 PolarHBondContact O-N 3.02Å
422	V	97.7	Very high	94.1	Very high	18 Å²	18	33.6 Å²	33.6	11%	0.109	19%	0.185	C	C	.	.	S	Bend	trans	-94.6	151.7	178.2	-64.6	0	0	0	0	112.3	V384 Q389 I391 I419 A420	V384-V422 HydrophobicContact CG1-CG1 4.01Å; V384-V422 HydrophobicContact CG1-CG2 4.44Å; V384-V422 HydrophobicContact CG2-CG2 3.6Å; Q389-V422 WeakPolarHBondContact O-CB 3.27Å; I391-V422 HydrophobicContact CG1-CG2 3.81Å; I419-V422 VanDerWaalsContact O-CG2 3.25Å; I419-V422 WeakPolarHBondContact O-CG2 3.36Å; I419-V422 PolarHBondContact O-N 3.08Å; A420-V422 PolarHBondContact O-N 2.88Å
423	P	98.5	Very high	94.2	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.013	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-59.8	146.4	173.6	-21.2	31.8	0	0	0	112.9	L335 L341 Q389 I390 I391	L335-P423 HydrophobicContact CB-CB 4.06Å; L335-P423 HydrophobicContact CB-CG 3.61Å; L335-P423 HydrophobicContact CD1-CG 4.48Å; L341-P423 HydrophobicContact CB-CG 3.85Å; L341-P423 HydrophobicContact CD2-CG 3.99Å; Q389-P423 WeakPolarHBondContact O-CD 3.07Å; I390-P423 WeakPolarHBondContact CA-O 3.49Å; I390-P423 HydrophobicContact CG1-CB 4.48Å; I390-P423 WeakPolarHBondContact CG2-O 3.37Å; I391-P423 PolarHBondContact N-O 2.8Å; I391-P423 VanDerWaalsContact N-O 3.17Å
424	I	98.6	Very high	94.4	Very high	13 Å²	13	32.8 Å²	32.8	7%	0.067	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	134	175	-57.9	-56.6	0	0	0	110.2	I391 I393 L410 I413 I426 I441 G445 I446	I391-I424 HydrophobicContact CB-CD1 4.26Å; I393-I424 HydrophobicContact CD1-CD1 4.19Å; I393-I424 HydrophobicContact CD1-CG2 3.7Å; I393-I424 HydrophobicContact CG1-CG2 4.19Å; L410-I424 HydrophobicContact CD2-CG2 3.87Å; I413-I424 HydrophobicContact CG2-CD1 4.23Å; I424-I426 HydrophobicContact CG2-CG1 4.17Å; I424-I441 HydrophobicContact CB-CG2 4.43Å; I424-G445 CarbonylContact O-C 3.47Å; I424-G445 WeakPolarHBondContact O-CA 2.75Å; I424-I446 PolarHBondContact O-N 2.97Å
425	M	98.7	Very high	94.8	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	111.7	166.6	178.6	178.9	-64.5	0	0	108.5	V352 I390 I391 D392 I393 I446 N448 V474 I589	V352-M425 HydrophobicContact CG1-CE 3.92Å; V352-M425 HydrophobicContact CG1-SD 3.97Å; V352-M425 HydrophobicContact CG2-CE 4.04Å; I390-M425 HydrophobicContact CG2-CB 3.88Å; I390-M425 HydrophobicContact CG2-CE 4.44Å; I391-M425 PolarHBondContact O-N 3.03Å; D392-M425 WeakPolarHBondContact CA-O 3.45Å; D392-M425 HydrophobicContact CB-CB 4.42Å; D392-M425 HydrophobicContact CB-SD 4.34Å; I393-M425 PolarHBondContact N-O 3.05Å; M425-I446 CarbonylContact C-O 3.26Å; M425-I446 VanDerWaalsContact CA-O 3.27Å; M425-I446 WeakPolarHBondContact CA-O 3.49Å; M425-I446 HydrophobicContact CB-CB 4.24Å; M425-I446 HydrophobicContact CE-CB 4.24Å; M425-I446 HydrophobicContact CE-CD1 3.74Å; M425-I446 HydrophobicContact CE-CG2 3.97Å; M425-I446 HydrophobicContact CG-CB 4.19Å; M425-I446 HydrophobicContact CG-CG2 4.23Å; M425-N448 HydrophobicContact CG-CB 3.61Å; M425-N448 HydrophobicContact SD-CB 3.76Å; M425-V474 HydrophobicContact CE-CG2 4.24Å; M425-I589 HydrophobicContact SD-CD1 4.15Å; M425-I589 HydrophobicContact SD-CG1 4.4Å
426	I	98.5	Very high	95.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	114.2	179.2	-61.5	165	0	0	0	108.1	M406 I424 L438 I441 I446 N448	M406-I426 HydrophobicContact CE-CG2 4.05Å; M406-I426 HydrophobicContact SD-CG2 4.34Å; I424-I426 HydrophobicContact CG2-CG1 4.17Å; I426-L438 HydrophobicContact CD1-CD2 4.02Å; I426-L438 HydrophobicContact CD1-CG 4.06Å; I426-I441 HydrophobicContact CD1-CD1 3.77Å; I426-I441 HydrophobicContact CD1-CG1 4.22Å; I426-I446 PolarHBondContact N-O 3.38Å; I426-N448 PolarHBondContact O-N 3.46Å
427	D	97.5	Very high	95.8	Very high	27 Å²	27	35.1 Å²	35.1	14%	0.144	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	120.3	-178.8	176.8	15.7	0	0	0	112.8	D392 I393 N394 N448	D392-D427 VanDerWaalsContact OD1-CB 3.29Å; D392-D427 WeakPolarHBondContact OD1-CB 3.33Å; I393-D427 WeakPolarHBondContact O-CA 3.27Å; I393-D427 PolarHBondContact O-N 3.3Å; N394-D427 WeakPolarHBondContact CA-O 3.49Å; N394-D427 HydrophobicContact CB-CB 3.94Å; N394-D427 WeakPolarHBondContact CB-OD2 3.38Å; N394-D427 PolarHBondContact ND2-OD1 3.08Å; N394-D427 PolarHBondContact ND2-OD2 3.05Å; D427-N448 WeakPolarHBondContact CA-O 3.46Å; D427-N448 HydrophobicContact CB-CB 4.08Å
428	S	96.5	Very high	96.4	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.021	17%	0.174	C	C	.	.			trans	-162.2	151.9	168.8	-178.1	0	0	0	0	111.5	D396 K430 N448	D396-S428 WeakPolarHBondContact OD1-CB 3.31Å; D396-S428 PolarHBondContact OD1-OG 3.19Å; D396-S428 PolarHBondContact OD2-OG 3.43Å; S428-K430 VanDerWaalsContact C-N 3.27Å; S428-K430 PolarHBondContact OG-N 3.05Å; S428-N448 PolarHBondContact N-O 3.47Å; S428-N448 VanDerWaalsContact N-O 3.16Å
429	S	92.3	Very high	96.9	Very high	101 Å²	101	32.4 Å²	32.4	71%	0.706	16%	0.162	S	C	*	.	S	Bend	trans	-78.9	-6.9	168	60.4	0	0	0	0	113.9	D396	D396-S429 WeakPolarHBondContact OD2-CB 3.34Å; D396-S429 PolarHBondContact OD2-N 2.83Å; D396-S429 PolarHBondContact OD2-OG 2.99Å
430	K	94.7	Very high	97.2	Very high	117 Å²	117	33.1 Å²	33.1	51%	0.509	17%	0.166	S	C	.	.			trans	-115	124	-177.7	-61.8	177.4	-175.5	173.1	0	110.8	S428 D432 V433 I434	S428-K430 VanDerWaalsContact C-N 3.27Å; S428-K430 PolarHBondContact OG-N 3.05Å; K430-D432 VanDerWaalsContact C-N 3.3Å; K430-D432 PolarHBondContact O-N 3.22Å; K430-V433 HydrophobicContact CB-CB 4.42Å; K430-V433 HydrophobicContact CB-CG2 3.94Å; K430-V433 HydrophobicContact CD-CG2 4.26Å; K430-V433 PolarHBondContact O-N 2.71Å; K430-I434 PolarHBondContact O-N 2.94Å
431	W	96.5	Very high	97.4	Very high	35 Å²	35	33.3 Å²	33.3	13%	0.133	17%	0.166	C	C	.	.	H	α-helix	trans	-57.8	-40.5	178.4	178.1	-98.4	0	0	0	113.1	V433 I434 E435 I450 H462 L465 L466	W431-V433 VanDerWaalsContact C-N 3.26Å; W431-V433 PolarHBondContact O-N 2.63Å; W431-I434 HydrophobicContact CE3-CB 4.5Å; W431-I434 HydrophobicContact CE3-CD1 4.43Å; W431-I434 HydrophobicContact CE3-CG2 4.28Å; W431-I434 HydrophobicContact CZ3-CG2 4.15Å; W431-I434 WeakPolarHBondContact O-CB 3.31Å; W431-I434 PolarHBondContact O-N 3.05Å; W431-I434 VanDerWaalsContact O-N 3.09Å; W431-E435 PolarHBondContact NE1-OE2 3.03Å; W431-E435 PolarHBondContact O-N 3.26Å; W431-I450 HydrophobicContact CZ3-CG2 4.34Å; W431-H462 AromaticContact CD2-CD2 3.33Å; W431-H462 AromaticContact CD2-CG 3.81Å; W431-H462 AromaticContact CD2-NE2 3.59Å; W431-H462 AromaticContact CE2-CD2 3.62Å; W431-H462 HydrophobicContact CE3-CB 3.85Å; W431-H462 AromaticContact CE3-CD2 3.52Å; W431-H462 AromaticContact CE3-CG 3.45Å; W431-H462 VanDerWaalsContact CE3-CG 3.45Å; W431-H462 AromaticContact CE3-ND1 3.82Å; W431-H462 AromaticContact CE3-NE2 3.97Å; W431-H462 AromaticContact CG-CD2 3.81Å; W431-H462 AromaticContact CG-NE2 3.53Å; W431-H462 HydrophobicContact CH2-CB 3.84Å; W431-H462 HydrophobicContact CZ3-CB 3.48Å; W431-H462 VanDerWaalsContact CZ3-CB 3.48Å; W431-H462 AromaticContact CZ3-CD2 3.94Å; W431-H462 AromaticContact CZ3-CG 3.66Å; W431-L465 HydrophobicContact CH2-CB 4Å; W431-L465 HydrophobicContact CZ2-CB 3.69Å; W431-L465 HydrophobicContact CZ2-CD1 3.55Å; W431-L465 HydrophobicContact CZ2-CG 4.27Å; W431-L466 HydrophobicContact CH2-CD2 3.96Å; W431-L466 HydrophobicContact CH2-CG 3.96Å; W431-L466 HydrophobicContact CZ3-CD2 4.15Å; W431-L466 HydrophobicContact CZ3-CG 4.2Å
432	D	96.5	Very high	97.4	Very high	96 Å²	96	29.6 Å²	29.6	51%	0.513	15%	0.152	S	C	.	.	H	α-helix	trans	-59.5	-37.8	-179.1	-60.7	-39.8	0	0	0	111.9	K430 K436	K430-D432 VanDerWaalsContact C-N 3.3Å; K430-D432 PolarHBondContact O-N 3.22Å; D432-K436 WeakPolarHBondContact O-CB 3.34Å; D432-K436 WeakPolarHBondContact O-CG 3.49Å; D432-K436 PolarHBondContact O-N 2.65Å
433	V	97.5	Very high	97.4	Very high	1 Å²	1	29 Å²	29	1%	0.006	15%	0.15	C	C	.	.	H	α-helix	trans	-68.7	-43.6	175.9	-179	0	0	0	0	110.9	A402 E403 M406 K430 W431 K436 G437	A402-V433 HydrophobicContact CB-CG1 4.4Å; A402-V433 HydrophobicContact CB-CG2 3.78Å; E403-V433 HydrophobicContact CG-CG2 3.78Å; M406-V433 HydrophobicContact CB-CG1 3.98Å; M406-V433 HydrophobicContact CE-CG1 3.89Å; M406-V433 HydrophobicContact CG-CG1 4.14Å; K430-V433 HydrophobicContact CB-CB 4.42Å; K430-V433 HydrophobicContact CB-CG2 3.94Å; K430-V433 HydrophobicContact CD-CG2 4.26Å; K430-V433 PolarHBondContact O-N 2.71Å; W431-V433 VanDerWaalsContact C-N 3.26Å; W431-V433 PolarHBondContact O-N 2.63Å; V433-K436 PolarHBondContact O-N 2.87Å; V433-G437 PolarHBondContact O-N 3.1Å
434	I	98.4	Very high	97.4	Very high	4 Å²	4	29.2 Å²	29.2	2%	0.021	15%	0.151	C	C	.	.	H	α-helix	trans	-57.2	-51.3	175.7	-70	168.3	0	0	0	110.2	K430 W431 K436 G437 L438 V447	K430-I434 PolarHBondContact O-N 2.94Å; W431-I434 HydrophobicContact CE3-CB 4.5Å; W431-I434 HydrophobicContact CE3-CD1 4.43Å; W431-I434 HydrophobicContact CE3-CG2 4.28Å; W431-I434 HydrophobicContact CZ3-CG2 4.15Å; W431-I434 WeakPolarHBondContact O-CB 3.31Å; W431-I434 PolarHBondContact O-N 3.05Å; W431-I434 VanDerWaalsContact O-N 3.09Å; I434-K436 VanDerWaalsContact C-N 3.35Å; I434-K436 PolarHBondContact O-N 2.95Å; I434-G437 PolarHBondContact O-N 3.45Å; I434-G437 VanDerWaalsContact O-N 3.13Å; I434-L438 HydrophobicContact CG2-CD1 3.97Å; I434-L438 HydrophobicContact CG2-CG 4.41Å; I434-L438 WeakPolarHBondContact O-CG 3.42Å; I434-L438 PolarHBondContact O-N 2.95Å; I434-V447 HydrophobicContact CD1-CG1 3.81Å; I434-V447 HydrophobicContact CG1-CG1 4.21Å; I434-V447 HydrophobicContact CG2-CB 4.3Å; I434-V447 HydrophobicContact CG2-CG1 3.56Å; I434-V447 HydrophobicContact CG2-CG2 3.72Å
435	E	98.2	Very high	97.4	Very high	40 Å²	40	28.7 Å²	28.7	19%	0.187	15%	0.149	C	C	.	.	H	α-helix	trans	-64.8	-40	-176.4	-177.9	167.2	-156.4	0	0	111.6	W431 G437 L438 K439 Y469	W431-E435 PolarHBondContact NE1-OE2 3.03Å; W431-E435 PolarHBondContact O-N 3.26Å; E435-G437 VanDerWaalsContact C-N 3.32Å; E435-G437 PolarHBondContact O-N 3.46Å; E435-L438 PolarHBondContact O-N 3.32Å; E435-K439 VanDerWaalsContact O-CG 3.31Å; E435-K439 WeakPolarHBondContact O-CG 3.31Å; E435-K439 PolarHBondContact O-N 2.64Å; E435-K439 IonicContact OE1-NZ 3.72Å; E435-Y469 HydrophobicContact CG-CE2 4.08Å; E435-Y469 PolarHBondContact OE1-OH 2.75Å
436	K	98	Very high	97.4	Very high	81 Å²	81	28.7 Å²	28.7	35%	0.352	15%	0.149	S	C	.	.	H	α-helix	trans	-60.9	-41.2	172.1	-71	-68.5	-179.1	-177.3	0	112	E403 V407 D432 V433 I434 K439 C440	E403-K436 HydrophobicContact CB-CG 4.46Å; E403-K436 HydrophobicContact CG-CG 4.37Å; V407-K436 HydrophobicContact CG2-CB 3.85Å; D432-K436 WeakPolarHBondContact O-CB 3.34Å; D432-K436 WeakPolarHBondContact O-CG 3.49Å; D432-K436 PolarHBondContact O-N 2.65Å; V433-K436 PolarHBondContact O-N 2.87Å; I434-K436 VanDerWaalsContact C-N 3.35Å; I434-K436 PolarHBondContact O-N 2.95Å; K436-K439 PolarHBondContact O-N 3.37Å; K436-C440 PolarHBondContact O-SG 3.2Å
437	G	98.1	Very high	97.4	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-65	-42.5	176.4	0	0	0	0	0	113.2	V433 I434 E435 K439 C440	V433-G437 PolarHBondContact O-N 3.1Å; I434-G437 PolarHBondContact O-N 3.45Å; I434-G437 VanDerWaalsContact O-N 3.13Å; E435-G437 VanDerWaalsContact C-N 3.32Å; E435-G437 PolarHBondContact O-N 3.46Å; G437-K439 PolarHBondContact O-N 3Å; G437-C440 WeakPolarHBondContact O-CB 3.36Å; G437-C440 PolarHBondContact O-N 3.37Å
438	L	98.5	Very high	97.4	Very high	7 Å²	7	28 Å²	28	4%	0.037	15%	0.145	C	C	.	.	H	α-helix	trans	-59.7	-34.2	178.2	-75.7	169.9	0	0	0	112.2	I426 I434 E435 C440 I441 V447 L466 Y469 A471	I426-L438 HydrophobicContact CD1-CD2 4.02Å; I426-L438 HydrophobicContact CD1-CG 4.06Å; I434-L438 HydrophobicContact CG2-CD1 3.97Å; I434-L438 HydrophobicContact CG2-CG 4.41Å; I434-L438 WeakPolarHBondContact O-CG 3.42Å; I434-L438 PolarHBondContact O-N 2.95Å; E435-L438 PolarHBondContact O-N 3.32Å; L438-C440 PolarHBondContact O-N 2.91Å; L438-I441 HydrophobicContact CD2-CD1 4.26Å; L438-V447 HydrophobicContact CD1-CG2 4.03Å; L438-V447 HydrophobicContact CD2-CG2 3.84Å; L438-V447 HydrophobicContact CG-CG2 4.13Å; L438-L466 HydrophobicContact CD1-CD2 3.66Å; L438-Y469 HydrophobicContact CB-CD1 4.4Å; L438-Y469 HydrophobicContact CB-CG 4.26Å; L438-Y469 HydrophobicContact CD1-CD2 3.85Å; L438-Y469 HydrophobicContact CD1-CE2 4.49Å; L438-Y469 HydrophobicContact CD1-CG 4.17Å; L438-A471 HydrophobicContact CD2-CB 3.7Å
439	K	98.3	Very high	97.4	Very high	32 Å²	32	29.4 Å²	29.4	14%	0.139	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-5.5	176.7	-69.8	175.5	-177.2	-173.2	0	114	F149 D150 E435 K436 G437 Y469	F149-K439 HydrophobicContact CB-CB 3.8Å; F149-K439 HydrophobicContact CB-CD 4.39Å; F149-K439 HydrophobicContact CB-CG 4Å; F149-K439 HydrophobicContact CD1-CD 4.31Å; F149-K439 HydrophobicContact CD1-CG 3.85Å; F149-K439 HydrophobicContact CE1-CG 4.5Å; F149-K439 HydrophobicContact CG-CB 4.06Å; F149-K439 HydrophobicContact CG-CG 3.9Å; D150-K439 VanDerWaalsContact CG-NZ 3.28Å; D150-K439 VanDerWaalsContact OD1-CE 3.29Å; D150-K439 WeakPolarHBondContact OD1-CE 3.49Å; D150-K439 IonicContact OD1-NZ 3Å; D150-K439 PolarHBondContact OD1-NZ 2.77Å; D150-K439 IonicContact OD2-NZ 2.75Å; D150-K439 PolarHBondContact OD2-NZ 3.16Å; E435-K439 VanDerWaalsContact O-CG 3.31Å; E435-K439 WeakPolarHBondContact O-CG 3.31Å; E435-K439 PolarHBondContact O-N 2.64Å; E435-K439 IonicContact OE1-NZ 3.72Å; K436-K439 PolarHBondContact O-N 3.37Å; G437-K439 PolarHBondContact O-N 3Å; K439-Y469 WeakPolarHBondContact CE-OH 3.4Å; K439-Y469 HydrophobicContact CG-CE1 4.02Å
440	C	98	Very high	97.7	Very high	14 Å²	14	25 Å²	25	10%	0.095	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-11.1	179.1	-68.1	0	0	0	0	113.8	L410 N411 K436 G437 L438	L410-C440 HydrophobicContact CB-CB 3.8Å; L410-C440 HydrophobicContact CD1-CB 4.07Å; N411-C440 PolarHBondContact OD1-SG 3.08Å; N411-C440 VanDerWaalsContact OD1-SG 3.35Å; K436-C440 PolarHBondContact O-SG 3.2Å; G437-C440 WeakPolarHBondContact O-CB 3.36Å; G437-C440 PolarHBondContact O-N 3.37Å; L438-C440 PolarHBondContact O-N 2.91Å
441	I	98.1	Very high	97.8	Very high	15 Å²	15	20.9 Å²	20.9	8%	0.077	11%	0.109	C	C	.	.			trans	-107.1	118.8	-172.6	58.5	162.4	0	0	0	113.4	K183 L410 I424 I426 L438	K183-I441 PolarHBondContact NZ-O 2.78Å; L410-I441 HydrophobicContact CD1-CG2 4.33Å; L410-I441 HydrophobicContact CD2-CG2 4.11Å; I424-I441 HydrophobicContact CB-CG2 4.43Å; I426-I441 HydrophobicContact CD1-CD1 3.77Å; I426-I441 HydrophobicContact CD1-CG1 4.22Å; L438-I441 HydrophobicContact CD2-CD1 4.26Å
442	Q	96.7	Very high	97.9	Very high	15 Å²	15	19.4 Å²	19.4	7%	0.07	10%	0.104	C	C	.	.	S	Bend	trans	-73.3	-34.7	178.4	65.8	172	-47.7	0	0	113.6	L180 K183 S217 L338	L180-Q442 HydrophobicContact CB-CB 4.03Å; K183-Q442 WeakPolarHBondContact CE-O 3.31Å; K183-Q442 PolarHBondContact NZ-O 3.28Å; S217-Q442 VanDerWaalsContact CB-OE1 3.23Å; S217-Q442 PolarHBondContact O-NE2 2.68Å; S217-Q442 PolarHBondContact O-OE1 2.84Å; S217-Q442 PolarHBondContact OG-OE1 3.17Å; L338-Q442 VanDerWaalsContact CD2-NE2 3.28Å
443	G	97.5	Very high	97.8	Very high	6 Å²	6	20.3 Å²	20.3	6%	0.062	10%	0.103	C	C	.	.	S	Bend	trans	-78.5	164.5	178.5	0	0	0	0	0	113.9	K183 S336 G445	K183-G443 PolarHBondContact NZ-O 3.03Å; S336-G443 CarbonylContact O-C 3.53Å; S336-G443 VanDerWaalsContact O-C 3.3Å; S336-G443 WeakPolarHBondContact O-CA 3.36Å; G443-G445 PolarHBondContact O-N 3.45Å; G443-G445 VanDerWaalsContact O-N 3.16Å
444	K	98.5	Very high	97.7	Very high	7 Å²	7	27.5 Å²	27.5	3%	0.03	14%	0.137	C	C	.	.			trans	-78	97.9	172.2	173.6	159.9	168.2	-152.6	0	109.6	R334 L335 S336 G470 D511	R334-K444 WeakPolarHBondContact O-CD 3.47Å; R334-K444 VanDerWaalsContact O-CE 3.23Å; R334-K444 WeakPolarHBondContact O-CE 3.36Å; R334-K444 PolarHBondContact O-NZ 2.96Å; L335-K444 HydrophobicContact CD2-CG 4.11Å; S336-K444 PolarHBondContact N-O 2.95Å; S336-K444 VanDerWaalsContact N-O 3.11Å; S336-K444 PolarHBondContact O-N 2.95Å; S336-K444 VanDerWaalsContact O-N 3.1Å; S336-K444 PolarHBondContact OG-N 2.91Å; K444-G470 WeakPolarHBondContact CD-O 3.23Å; K444-G470 VanDerWaalsContact CG-O 3.29Å; K444-G470 WeakPolarHBondContact CG-O 3.12Å; K444-D511 WeakPolarHBondContact CE-OD1 3.32Å; K444-D511 IonicContact NZ-OD1 3.24Å; K444-D511 PolarHBondContact NZ-OD1 3.17Å; K444-D511 IonicContact NZ-OD2 3.98Å; K444-D511 PolarHBondContact NZ-OD2 3.41Å
445	G	98.2	Very high	97.6	Very high	2 Å²	2	28 Å²	28	2%	0.021	14%	0.143	C	C	.	.			trans	-88.7	-175.6	175.8	0	0	0	0	0	114	I424 G443 A472	I424-G445 CarbonylContact O-C 3.47Å; I424-G445 WeakPolarHBondContact O-CA 2.75Å; G443-G445 PolarHBondContact O-N 3.45Å; G443-G445 VanDerWaalsContact O-N 3.16Å; G445-A472 PolarHBondContact O-N 2.98Å
446	I	98.8	Very high	97.6	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	142.3	177.6	-59.4	160.5	0	0	0	109.2	L335 I390 I424 M425 I426 A472 V474 I513	L335-I446 HydrophobicContact CD1-CD1 3.68Å; L335-I446 HydrophobicContact CD1-CG1 4.03Å; L335-I446 HydrophobicContact CD2-CG1 4.01Å; I390-I446 HydrophobicContact CD1-CD1 3.76Å; I390-I446 HydrophobicContact CG2-CD1 4.29Å; I424-I446 PolarHBondContact O-N 2.97Å; M425-I446 CarbonylContact C-O 3.26Å; M425-I446 VanDerWaalsContact CA-O 3.27Å; M425-I446 WeakPolarHBondContact CA-O 3.49Å; M425-I446 HydrophobicContact CB-CB 4.24Å; M425-I446 HydrophobicContact CE-CB 4.24Å; M425-I446 HydrophobicContact CE-CD1 3.74Å; M425-I446 HydrophobicContact CE-CG2 3.97Å; M425-I446 HydrophobicContact CG-CB 4.19Å; M425-I446 HydrophobicContact CG-CG2 4.23Å; I426-I446 PolarHBondContact N-O 3.38Å; I446-A472 CarbonylContact C-O 3.49Å; I446-A472 WeakPolarHBondContact CA-O 3.41Å; I446-A472 HydrophobicContact CG1-CB 4.05Å; I446-V474 HydrophobicContact CG2-CG2 3.74Å; I446-I513 HydrophobicContact CD1-CD1 3.83Å; I446-I513 HydrophobicContact CG1-CD1 4.01Å; I446-I513 HydrophobicContact CG2-CD1 3.83Å
447	V	98.7	Very high	97.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	125.6	168.3	169.4	0	0	0	0	110.7	I434 L438 L466 A471 A472 V474	I434-V447 HydrophobicContact CD1-CG1 3.81Å; I434-V447 HydrophobicContact CG1-CG1 4.21Å; I434-V447 HydrophobicContact CG2-CB 4.3Å; I434-V447 HydrophobicContact CG2-CG1 3.56Å; I434-V447 HydrophobicContact CG2-CG2 3.72Å; L438-V447 HydrophobicContact CD1-CG2 4.03Å; L438-V447 HydrophobicContact CD2-CG2 3.84Å; L438-V447 HydrophobicContact CG-CG2 4.13Å; V447-L466 HydrophobicContact CB-CD1 4.44Å; V447-L466 HydrophobicContact CB-CD2 3.88Å; V447-L466 HydrophobicContact CG1-CD2 4.21Å; V447-L466 HydrophobicContact CG2-CD2 3.42Å; V447-L466 VanDerWaalsContact CG2-CD2 3.42Å; V447-A471 HydrophobicContact CG2-CB 4.35Å; V447-A472 PolarHBondContact N-O 2.94Å; V447-V474 PolarHBondContact O-N 3.37Å
448	N	98.1	Very high	97.5	Very high	11 Å²	11	31.8 Å²	31.8	6%	0.059	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	92	176.4	-175.2	22.2	0	0	0	109.6	D392 M425 I426 D427 S428 V474	D392-N448 PolarHBondContact OD1-ND2 3.03Å; M425-N448 HydrophobicContact CG-CB 3.61Å; M425-N448 HydrophobicContact SD-CB 3.76Å; I426-N448 PolarHBondContact O-N 3.46Å; D427-N448 WeakPolarHBondContact CA-O 3.46Å; D427-N448 HydrophobicContact CB-CB 4.08Å; S428-N448 PolarHBondContact N-O 3.47Å; S428-N448 VanDerWaalsContact N-O 3.16Å; N448-V474 HydrophobicContact CB-CB 4.35Å; N448-V474 HydrophobicContact CB-CG2 4.31Å
449	S	96	Very high	97.5	Very high	33 Å²	33	31.5 Å²	31.5	23%	0.231	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-155	175	11.4	52.5	0	0	0	0	110	V474 M476	S449-V474 VanDerWaalsContact CA-O 3.28Å; S449-V474 WeakPolarHBondContact CA-O 3.22Å; S449-V474 WeakPolarHBondContact CB-O 3.4Å; S449-M476 WeakPolarHBondContact OG-CG 3.2Å
450	I	97.9	Very high	97.5	Very high	8 Å²	8	31.3 Å²	31.3	4%	0.041	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	159.9	163	66.9	173.4	0	0	0	109.9	W431 F459 H462 A463 L466 V473 V474 V475 M476	W431-I450 HydrophobicContact CZ3-CG2 4.34Å; I450-F459 HydrophobicContact CB-CD2 4.36Å; I450-F459 HydrophobicContact CD1-CD2 3.77Å; I450-F459 HydrophobicContact CD1-CE2 3.52Å; I450-F459 HydrophobicContact CD1-CZ 4.32Å; I450-F459 HydrophobicContact CG1-CD2 3.97Å; I450-F459 HydrophobicContact CG1-CE2 3.7Å; I450-H462 HydrophobicContact CG2-CB 4.1Å; I450-A463 HydrophobicContact CD1-CB 4.28Å; I450-L466 HydrophobicContact CD1-CD1 4.13Å; I450-L466 HydrophobicContact CG2-CD1 4.04Å; I450-V473 HydrophobicContact CB-CG2 4.5Å; I450-V473 HydrophobicContact CD1-CG2 3.71Å; I450-V473 HydrophobicContact CG1-CG2 3.53Å; I450-V473 HydrophobicContact CG2-CG2 4.4Å; I450-V474 PolarHBondContact N-O 3.44Å; I450-V475 HydrophobicContact CG1-CG2 4.35Å; I450-V475 WeakPolarHBondContact O-CA 3.23Å; I450-M476 PolarHBondContact O-N 2.96Å; I450-M476 VanDerWaalsContact O-N 3.14Å
451	S	97.5	Very high	97.5	Very high	32 Å²	32	35.6 Å²	35.6	22%	0.224	19%	0.191	C	C	.	.			trans	-155.5	172.1	177.5	71.5	0	0	0	0	111.3	K453 F478	S451-K453 VanDerWaalsContact C-N 3.28Å; S451-K453 WeakPolarHBondContact OG-CB 3.35Å; S451-K453 PolarHBondContact OG-N 3.47Å; S451-F478 WeakPolarHBondContact CB-O 3.32Å
452	M	97.8	Very high	97.5	Very high	3 Å²	3	36.6 Å²	36.6	2%	0.015	20%	0.195	C	C	.	.	S	Bend	trans	-89.6	11.1	174.9	-67.9	176.3	-68.5	0	0	112.5	E454 G455 V456 F459 F478 D479 E480 I493 R496 A497 I500	M452-E454 PolarHBondContact O-N 2.95Å; M452-G455 PolarHBondContact O-N 2.85Å; M452-V456 HydrophobicContact SD-CG2 4.49Å; M452-F459 HydrophobicContact CG-CB 4.18Å; M452-F459 HydrophobicContact CG-CD1 4Å; M452-F459 HydrophobicContact CG-CD2 4.18Å; M452-F459 HydrophobicContact CG-CE1 4.42Å; M452-F459 HydrophobicContact CG-CG 3.86Å; M452-F478 PolarHBondContact N-O 3.13Å; M452-D479 HydrophobicContact CB-CB 4.08Å; M452-D479 HydrophobicContact CE-CB 4.28Å; M452-E480 WeakPolarHBondContact O-CG 3.29Å; M452-E480 PolarHBondContact O-N 2.97Å; M452-I493 HydrophobicContact CE-CG2 3.71Å; M452-R496 HydrophobicContact CE-CB 4.23Å; M452-R496 HydrophobicContact CE-CG 4.05Å; M452-R496 HydrophobicContact SD-CG 3.99Å; M452-A497 HydrophobicContact CE-CB 3.97Å; M452-I500 HydrophobicContact SD-CD1 3.77Å
453	K	95.8	Very high	97.6	Very high	116 Å²	116	35.9 Å²	35.9	50%	0.504	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-39.7	-179.6	176.1	-176.4	172.9	-163.2	0	113.3	S451 G455 F478	S451-K453 VanDerWaalsContact C-N 3.28Å; S451-K453 WeakPolarHBondContact OG-CB 3.35Å; S451-K453 PolarHBondContact OG-N 3.47Å; K453-G455 VanDerWaalsContact C-N 3.34Å; K453-F478 HydrophobicContact CB-CD2 3.62Å; K453-F478 HydrophobicContact CB-CE2 3.87Å; K453-F478 HydrophobicContact CB-CG 4.2Å; K453-F478 HydrophobicContact CD-CD1 4.49Å; K453-F478 HydrophobicContact CD-CD2 4.24Å; K453-F478 HydrophobicContact CD-CE1 4.1Å; K453-F478 HydrophobicContact CD-CE2 3.85Å; K453-F478 HydrophobicContact CD-CZ 3.78Å; K453-F478 HydrophobicContact CG-CD2 3.85Å; K453-F478 HydrophobicContact CG-CE2 3.52Å; K453-F478 HydrophobicContact CG-CZ 3.98Å; K453-F478 PolarHBondContact N-O 3.35Å
454	E	94.4	Very high	97.6	Very high	152 Å²	152	41 Å²	41	71%	0.71	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.9	6.5	-179.3	-60.3	-174.4	169.4	0	0	112.8	M452 A458	M452-E454 PolarHBondContact O-N 2.95Å; E454-A458 HydrophobicContact CB-CB 4.48Å
455	G	96.4	Very high	97.5	Very high	15 Å²	15	42 Å²	42	16%	0.155	22%	0.218	C	C	.	.			trans	102.6	166	-176.6	0	0	0	0	0	114	M452 K453 F459	M452-G455 PolarHBondContact O-N 2.85Å; K453-G455 VanDerWaalsContact C-N 3.34Å; G455-F459 PolarHBondContact O-N 3.27Å
456	V	97.8	Very high	97.6	Very high	33 Å²	33	41.9 Å²	41.9	20%	0.2	22%	0.217	C	C	.	.	H	α-helix	trans	-67.2	-37.1	-175.8	176.4	0	0	0	0	112.9	M452 A458 F459 I460 I500	M452-V456 HydrophobicContact SD-CG2 4.49Å; V456-A458 PolarHBondContact O-N 3.02Å; V456-F459 WeakPolarHBondContact O-CB 3.34Å; V456-F459 PolarHBondContact O-N 3.01Å; V456-I460 HydrophobicContact CG1-CD1 3.59Å; V456-I460 HydrophobicContact CG1-CG1 4.03Å; V456-I460 WeakPolarHBondContact O-CG1 3.32Å; V456-I460 PolarHBondContact O-N 3.29Å; V456-I500 HydrophobicContact CG1-CD1 4.04Å; V456-I500 HydrophobicContact CG2-CD1 4.26Å
457	D	97.8	Very high	97.4	Very high	137 Å²	137	44.1 Å²	44.1	73%	0.733	23%	0.225	S	C	*	.	H	α-helix	trans	-63.6	-45.1	-175.4	-68.3	-22.2	0	0	0	112.1	I460 H461	D457-I460 PolarHBondContact O-N 3.25Å; D457-H461 WeakPolarHBondContact O-CB 3.38Å; D457-H461 PolarHBondContact O-N 3.43Å
458	A	96.9	Very high	97.3	Very high	29 Å²	29	47 Å²	47	24%	0.24	24%	0.236	C	C	.	.	H	α-helix	trans	-64.3	-41.8	175.6	0	0	0	0	0	111.4	E454 V456 I460 H461 H462	E454-A458 HydrophobicContact CB-CB 4.48Å; V456-A458 PolarHBondContact O-N 3.02Å; A458-I460 PolarHBondContact O-N 2.98Å; A458-H461 PolarHBondContact O-N 3.19Å; A458-H462 WeakPolarHBondContact O-CB 3.33Å; A458-H462 VanDerWaalsContact O-CG 3.27Å; A458-H462 PolarHBondContact O-N 3.38Å; A458-H462 PolarHBondContact O-ND1 3.46Å
459	F	98.3	Very high	97.3	Very high	2 Å²	2	47 Å²	47	1%	0.009	24%	0.235	C	C	.	.	H	α-helix	trans	-58.8	-46.8	175.6	176.9	-104.6	0	0	0	112.3	I450 M452 G455 V456 A463 V475 A497 I500 L501	I450-F459 HydrophobicContact CB-CD2 4.36Å; I450-F459 HydrophobicContact CD1-CD2 3.77Å; I450-F459 HydrophobicContact CD1-CE2 3.52Å; I450-F459 HydrophobicContact CD1-CZ 4.32Å; I450-F459 HydrophobicContact CG1-CD2 3.97Å; I450-F459 HydrophobicContact CG1-CE2 3.7Å; M452-F459 HydrophobicContact CG-CB 4.18Å; M452-F459 HydrophobicContact CG-CD1 4Å; M452-F459 HydrophobicContact CG-CD2 4.18Å; M452-F459 HydrophobicContact CG-CE1 4.42Å; M452-F459 HydrophobicContact CG-CG 3.86Å; G455-F459 PolarHBondContact O-N 3.27Å; V456-F459 WeakPolarHBondContact O-CB 3.34Å; V456-F459 PolarHBondContact O-N 3.01Å; F459-A463 WeakPolarHBondContact O-CB 3.49Å; F459-A463 PolarHBondContact O-N 3.35Å; F459-V475 HydrophobicContact CE2-CG1 4.03Å; F459-V475 HydrophobicContact CZ-CG1 4.27Å; F459-A497 HydrophobicContact CZ-CB 4.04Å; F459-I500 HydrophobicContact CD1-CG2 4Å; F459-I500 HydrophobicContact CE1-CB 4.22Å; F459-I500 HydrophobicContact CE1-CG2 3.9Å; F459-L501 HydrophobicContact CE1-CD1 4.48Å; F459-L501 HydrophobicContact CE1-CD2 3.89Å; F459-L501 HydrophobicContact CE1-CG 3.85Å; F459-L501 HydrophobicContact CZ-CD1 3.8Å; F459-L501 HydrophobicContact CZ-CD2 3.78Å; F459-L501 HydrophobicContact CZ-CG 3.66Å
460	I	98.5	Very high	97.4	Very high	27 Å²	27	45.5 Å²	45.5	14%	0.138	23%	0.225	C	C	.	.	H	α-helix	trans	-63.3	-43.8	175.9	-69.7	174.8	0	0	0	110.9	V456 D457 A458 A463 K464 I500 V505	V456-I460 HydrophobicContact CG1-CD1 3.59Å; V456-I460 HydrophobicContact CG1-CG1 4.03Å; V456-I460 WeakPolarHBondContact O-CG1 3.32Å; V456-I460 PolarHBondContact O-N 3.29Å; D457-I460 PolarHBondContact O-N 3.25Å; A458-I460 PolarHBondContact O-N 2.98Å; I460-A463 PolarHBondContact O-N 2.76Å; I460-K464 HydrophobicContact CG2-CD 4.26Å; I460-K464 WeakPolarHBondContact O-CG 3.36Å; I460-K464 PolarHBondContact O-N 2.74Å; I460-I500 HydrophobicContact CD1-CG2 4.02Å; I460-I500 HydrophobicContact CG1-CG2 3.64Å; I460-V505 HydrophobicContact CB-CG2 4.44Å; I460-V505 HydrophobicContact CG1-CG2 4.32Å; I460-V505 HydrophobicContact CG2-CG2 4.06Å
461	H	98	Very high	97.4	Very high	105 Å²	105	45.3 Å²	45.3	49%	0.486	23%	0.225	S	C	.	.	H	α-helix	trans	-59.9	-50.8	179.9	178.2	62.3	0	0	0	111.7	D457 A458 A463 K464 L465	D457-H461 WeakPolarHBondContact O-CB 3.38Å; D457-H461 PolarHBondContact O-N 3.43Å; A458-H461 PolarHBondContact O-N 3.19Å; H461-A463 PolarHBondContact O-N 3.31Å; H461-K464 PolarHBondContact O-N 3.12Å; H461-L465 PolarHBondContact O-N 2.84Å; H461-L465 VanDerWaalsContact O-N 3.13Å
462	H	98.3	Very high	97.5	Very high	36 Å²	36	43.8 Å²	43.8	17%	0.167	21%	0.214	C	C	.	.	H	α-helix	trans	-61	-44.5	176.8	-65.1	161.4	0	0	0	111.4	W431 I450 A458 K464 L465 L466	W431-H462 AromaticContact CD2-CD2 3.33Å; W431-H462 AromaticContact CD2-CG 3.81Å; W431-H462 AromaticContact CD2-NE2 3.59Å; W431-H462 AromaticContact CE2-CD2 3.62Å; W431-H462 HydrophobicContact CE3-CB 3.85Å; W431-H462 AromaticContact CE3-CD2 3.52Å; W431-H462 AromaticContact CE3-CG 3.45Å; W431-H462 VanDerWaalsContact CE3-CG 3.45Å; W431-H462 AromaticContact CE3-ND1 3.82Å; W431-H462 AromaticContact CE3-NE2 3.97Å; W431-H462 AromaticContact CG-CD2 3.81Å; W431-H462 AromaticContact CG-NE2 3.53Å; W431-H462 HydrophobicContact CH2-CB 3.84Å; W431-H462 HydrophobicContact CZ3-CB 3.48Å; W431-H462 VanDerWaalsContact CZ3-CB 3.48Å; W431-H462 AromaticContact CZ3-CD2 3.94Å; W431-H462 AromaticContact CZ3-CG 3.66Å; I450-H462 HydrophobicContact CG2-CB 4.1Å; A458-H462 WeakPolarHBondContact O-CB 3.33Å; A458-H462 VanDerWaalsContact O-CG 3.27Å; A458-H462 PolarHBondContact O-N 3.38Å; A458-H462 PolarHBondContact O-ND1 3.46Å; H462-K464 VanDerWaalsContact C-N 3.33Å; H462-K464 PolarHBondContact O-N 2.9Å; H462-L465 PolarHBondContact O-N 2.95Å; H462-L465 VanDerWaalsContact O-N 3.14Å; H462-L466 VanDerWaalsContact O-CG 3.3Å; H462-L466 WeakPolarHBondContact O-CG 3.35Å; H462-L466 PolarHBondContact O-N 3.36Å
463	A	98.3	Very high	97.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-59.9	-40.1	177.5	0	0	0	0	0	112.9	I450 F459 I460 H461 L466 R467 L501 V505 F507	I450-A463 HydrophobicContact CD1-CB 4.28Å; F459-A463 WeakPolarHBondContact O-CB 3.49Å; F459-A463 PolarHBondContact O-N 3.35Å; I460-A463 PolarHBondContact O-N 2.76Å; H461-A463 PolarHBondContact O-N 3.31Å; A463-L466 PolarHBondContact O-N 3.39Å; A463-R467 PolarHBondContact O-N 3.27Å; A463-L501 HydrophobicContact CB-CD2 3.49Å; A463-L501 VanDerWaalsContact CB-CD2 3.49Å; A463-V505 HydrophobicContact CB-CG1 4.05Å; A463-V505 HydrophobicContact CB-CG2 4.16Å; A463-F507 HydrophobicContact CB-CD2 4.37Å; A463-F507 WeakPolarHBondContact O-CE2 3.33Å
464	K	97.4	Very high	97.7	Very high	114 Å²	114	38.2 Å²	38.2	50%	0.496	19%	0.19	S	C	.	.	H	α-helix	trans	-64.4	-39.6	175	-75.9	179.9	176	-178.8	0	112.5	I460 H461 H462 R467 R468 V505	I460-K464 HydrophobicContact CG2-CD 4.26Å; I460-K464 WeakPolarHBondContact O-CG 3.36Å; I460-K464 PolarHBondContact O-N 2.74Å; H461-K464 PolarHBondContact O-N 3.12Å; H462-K464 VanDerWaalsContact C-N 3.33Å; H462-K464 PolarHBondContact O-N 2.9Å; K464-R467 PolarHBondContact O-N 2.9Å; K464-R468 PolarHBondContact O-N 2.82Å; K464-R468 VanDerWaalsContact O-N 3.12Å; K464-V505 HydrophobicContact CG-CG1 3.94Å
465	L	97.9	Very high	97.9	Very high	27 Å²	27	31 Å²	31	14%	0.141	16%	0.157	C	C	.	.	H	α-helix	trans	-67.2	-44.9	175.4	-74.7	175.3	0	0	0	111.5	W431 H461 H462 R467 R468 Y469	W431-L465 HydrophobicContact CH2-CB 4Å; W431-L465 HydrophobicContact CZ2-CB 3.69Å; W431-L465 HydrophobicContact CZ2-CD1 3.55Å; W431-L465 HydrophobicContact CZ2-CG 4.27Å; H461-L465 PolarHBondContact O-N 2.84Å; H461-L465 VanDerWaalsContact O-N 3.13Å; H462-L465 PolarHBondContact O-N 2.95Å; H462-L465 VanDerWaalsContact O-N 3.14Å; L465-R467 VanDerWaalsContact C-N 3.26Å; L465-R467 PolarHBondContact O-N 2.95Å; L465-R468 CarbonylContact O-C 3.59Å; L465-R468 WeakPolarHBondContact O-CA 3.13Å; L465-R468 WeakPolarHBondContact O-CB 3.49Å; L465-R468 PolarHBondContact O-N 3.48Å; L465-Y469 HydrophobicContact CB-CD2 4.42Å; L465-Y469 HydrophobicContact CB-CE2 4.35Å; L465-Y469 WeakPolarHBondContact O-CD2 3.39Å; L465-Y469 PolarHBondContact O-N 2.97Å
466	L	98.4	Very high	97.9	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-56.5	-41.4	174.7	-67.6	175.8	0	0	0	111.9	W431 L438 V447 I450 H462 A463 R468 Y469 G470 A471 V473 F507	W431-L466 HydrophobicContact CH2-CD2 3.96Å; W431-L466 HydrophobicContact CH2-CG 3.96Å; W431-L466 HydrophobicContact CZ3-CD2 4.15Å; W431-L466 HydrophobicContact CZ3-CG 4.2Å; L438-L466 HydrophobicContact CD1-CD2 3.66Å; V447-L466 HydrophobicContact CB-CD1 4.44Å; V447-L466 HydrophobicContact CB-CD2 3.88Å; V447-L466 HydrophobicContact CG1-CD2 4.21Å; V447-L466 HydrophobicContact CG2-CD2 3.42Å; V447-L466 VanDerWaalsContact CG2-CD2 3.42Å; I450-L466 HydrophobicContact CD1-CD1 4.13Å; I450-L466 HydrophobicContact CG2-CD1 4.04Å; H462-L466 VanDerWaalsContact O-CG 3.3Å; H462-L466 WeakPolarHBondContact O-CG 3.35Å; H462-L466 PolarHBondContact O-N 3.36Å; A463-L466 PolarHBondContact O-N 3.39Å; L466-R468 VanDerWaalsContact C-N 3.3Å; L466-R468 PolarHBondContact O-N 3.27Å; L466-Y469 PolarHBondContact O-N 2.82Å; L466-G470 PolarHBondContact O-N 3.12Å; L466-A471 HydrophobicContact CD2-CB 4.33Å; L466-A471 PolarHBondContact O-N 2.94Å; L466-A471 VanDerWaalsContact O-N 3.1Å; L466-V473 HydrophobicContact CD1-CB 3.94Å; L466-V473 HydrophobicContact CD1-CG2 3.53Å; L466-F507 HydrophobicContact CB-CE2 4.02Å; L466-F507 HydrophobicContact CB-CZ 4.32Å
467	R	96.2	Very high	97.9	Very high	47 Å²	47	30.6 Å²	30.6	18%	0.177	15%	0.149	C	C	.	.	H	α-helix	trans	-62.1	-38	174.6	-177.7	60.1	-177.1	165.5	1.3	112.2	E232 A463 K464 L465 G470 F507	E232-R467 IonicContact OE1-CZ 2.75Å; E232-R467 IonicContact OE1-NE 3.87Å; E232-R467 IonicContact OE1-NH2 3.74Å; E232-R467 PolarHBondContact OE1-NH2 2.86Å; A463-R467 PolarHBondContact O-N 3.27Å; K464-R467 PolarHBondContact O-N 2.9Å; L465-R467 VanDerWaalsContact C-N 3.26Å; L465-R467 PolarHBondContact O-N 2.95Å; R467-G470 PolarHBondContact O-N 3.43Å; R467-F507 HydrophobicContact CB-CD2 4.18Å; R467-F507 HydrophobicContact CB-CE2 4.06Å
468	R	96.5	Very high	97.9	Very high	60 Å²	60	26.5 Å²	26.5	23%	0.226	13%	0.125	C	C	.	.	H	α-helix	trans	-73.3	-32.7	178.4	-160.8	177.3	-68.9	-160.3	-4.7	112.8	F187 T191 E194 K464 L465 L466	F187-R468 HydrophobicContact CD2-CB 4.08Å; F187-R468 HydrophobicContact CD2-CG 3.44Å; F187-R468 VanDerWaalsContact CD2-CG 3.44Å; F187-R468 HydrophobicContact CE2-CB 4.02Å; F187-R468 VanDerWaalsContact CE2-CD 3.43Å; F187-R468 HydrophobicContact CE2-CG 3.64Å; F187-R468 HydrophobicContact CG-CG 4.01Å; F187-R468 HydrophobicContact CZ-CG 4.35Å; T191-R468 PolarHBondContact OG1-NH1 3.15Å; E194-R468 IonicContact OE2-CZ 2.74Å; E194-R468 IonicContact OE2-NH1 3.71Å; E194-R468 IonicContact OE2-NH2 3.16Å; E194-R468 PolarHBondContact OE2-NH2 3.18Å; K464-R468 PolarHBondContact O-N 2.82Å; K464-R468 VanDerWaalsContact O-N 3.12Å; L465-R468 CarbonylContact O-C 3.59Å; L465-R468 WeakPolarHBondContact O-CA 3.13Å; L465-R468 WeakPolarHBondContact O-CB 3.49Å; L465-R468 PolarHBondContact O-N 3.48Å; L466-R468 VanDerWaalsContact C-N 3.3Å; L466-R468 PolarHBondContact O-N 3.27Å
469	Y	98.2	Very high	97.9	Very high	10 Å²	10	25.2 Å²	25.2	4%	0.039	11%	0.114	C	C	.	.	H	α-helix	trans	-79	-18.2	172.6	-73.8	-64.4	0	0	0	113.5	F149 F187 E435 L438 K439 L465 L466	F149-Y469 HydrophobicContact CD1-CE1 4.45Å; F149-Y469 HydrophobicContact CE1-CD1 4.35Å; F149-Y469 AromaticContact CE1-CE1 3.75Å; F149-Y469 HydrophobicContact CE1-CE1 3.75Å; F149-Y469 HydrophobicContact CZ-CD1 4.14Å; F149-Y469 HydrophobicContact CZ-CE1 4.01Å; F187-Y469 HydrophobicContact CD2-CD1 4.01Å; F187-Y469 AromaticContact CD2-CE1 3.88Å; F187-Y469 HydrophobicContact CD2-CE1 3.88Å; F187-Y469 HydrophobicContact CE2-CD1 4.14Å; F187-Y469 HydrophobicContact CE2-CD2 4.41Å; F187-Y469 AromaticContact CE2-CE1 3.72Å; F187-Y469 HydrophobicContact CE2-CE1 3.72Å; F187-Y469 HydrophobicContact CE2-CE2 4.03Å; F187-Y469 HydrophobicContact CE2-CG 4.44Å; F187-Y469 AromaticContact CE2-CZ 3.65Å; E435-Y469 HydrophobicContact CG-CE2 4.08Å; E435-Y469 PolarHBondContact OE1-OH 2.75Å; L438-Y469 HydrophobicContact CB-CD1 4.4Å; L438-Y469 HydrophobicContact CB-CG 4.26Å; L438-Y469 HydrophobicContact CD1-CD2 3.85Å; L438-Y469 HydrophobicContact CD1-CE2 4.49Å; L438-Y469 HydrophobicContact CD1-CG 4.17Å; K439-Y469 WeakPolarHBondContact CE-OH 3.4Å; K439-Y469 HydrophobicContact CG-CE1 4.02Å; L465-Y469 HydrophobicContact CB-CD2 4.42Å; L465-Y469 HydrophobicContact CB-CE2 4.35Å; L465-Y469 WeakPolarHBondContact O-CD2 3.39Å; L465-Y469 PolarHBondContact O-N 2.97Å; L466-Y469 PolarHBondContact O-N 2.82Å
470	G	97.3	Very high	97.9	Very high	3 Å²	3	29.4 Å²	29.4	3%	0.031	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.4	36.5	179.4	0	0	0	0	0	114.5	H230 K444 L466 R467	H230-G470 WeakPolarHBondContact ND1-CA 3.24Å; K444-G470 WeakPolarHBondContact CD-O 3.23Å; K444-G470 VanDerWaalsContact CG-O 3.29Å; K444-G470 WeakPolarHBondContact CG-O 3.12Å; L466-G470 PolarHBondContact O-N 3.12Å; R467-G470 PolarHBondContact O-N 3.43Å
471	A	98.4	Very high	97.7	Very high	4 Å²	4	35.4 Å²	35.4	3%	0.033	16%	0.161	C	C	.	.			trans	-102	150.7	178.9	0	0	0	0	0	112.7	L438 V447 L466 F507	L438-A471 HydrophobicContact CD2-CB 3.7Å; V447-A471 HydrophobicContact CG2-CB 4.35Å; L466-A471 HydrophobicContact CD2-CB 4.33Å; L466-A471 PolarHBondContact O-N 2.94Å; L466-A471 VanDerWaalsContact O-N 3.1Å; A471-F507 WeakPolarHBondContact O-CZ 3.4Å
472	A	98.6	Very high	97.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	167.2	161.6	0	0	0	0	0	110.2	L335 G445 I446 V447 D511	L335-A472 HydrophobicContact CD2-CB 3.78Å; G445-A472 PolarHBondContact O-N 2.98Å; I446-A472 CarbonylContact C-O 3.49Å; I446-A472 WeakPolarHBondContact CA-O 3.41Å; I446-A472 HydrophobicContact CG1-CB 4.05Å; V447-A472 PolarHBondContact N-O 2.94Å; A472-D511 HydrophobicContact CB-CB 4.17Å
473	V	98.7	Very high	97.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	130.8	-170	66.4	0	0	0	0	113.8	I450 L466 V475 F507 D511 I513	I450-V473 HydrophobicContact CB-CG2 4.5Å; I450-V473 HydrophobicContact CD1-CG2 3.71Å; I450-V473 HydrophobicContact CG1-CG2 3.53Å; I450-V473 HydrophobicContact CG2-CG2 4.4Å; L466-V473 HydrophobicContact CD1-CB 3.94Å; L466-V473 HydrophobicContact CD1-CG2 3.53Å; V473-V475 HydrophobicContact CG1-CG2 4.09Å; V473-V475 HydrophobicContact CG2-CG2 4.34Å; V473-F507 HydrophobicContact CB-CZ 4.41Å; V473-F507 HydrophobicContact CG1-CE1 3.87Å; V473-F507 HydrophobicContact CG1-CZ 3.9Å; V473-D511 PolarHBondContact N-O 2.94Å; V473-I513 PolarHBondContact O-N 3.22Å
474	V	98.7	Very high	97.2	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.006	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	124.7	163.6	177.6	0	0	0	0	108.8	M425 I446 V447 N448 S449 I450 I513 D515	M425-V474 HydrophobicContact CE-CG2 4.24Å; I446-V474 HydrophobicContact CG2-CG2 3.74Å; V447-V474 PolarHBondContact O-N 3.37Å; N448-V474 HydrophobicContact CB-CB 4.35Å; N448-V474 HydrophobicContact CB-CG2 4.31Å; S449-V474 VanDerWaalsContact CA-O 3.28Å; S449-V474 WeakPolarHBondContact CA-O 3.22Å; S449-V474 WeakPolarHBondContact CB-O 3.4Å; I450-V474 PolarHBondContact N-O 3.44Å; V474-I513 CarbonylContact C-O 3.49Å; V474-I513 WeakPolarHBondContact CA-O 3.43Å; V474-I513 HydrophobicContact CG2-CB 4.15Å; V474-I513 HydrophobicContact CG2-CD1 4.41Å; V474-I513 HydrophobicContact CG2-CG2 4.08Å; V474-D515 HydrophobicContact CG1-CB 3.81Å
475	V	98.6	Very high	97.1	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.012	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	109.1	178.8	-176.7	0	0	0	0	108.6	I450 F459 V473 A497 L501 I512 I513 F514 D515	I450-V475 HydrophobicContact CG1-CG2 4.35Å; I450-V475 WeakPolarHBondContact O-CA 3.23Å; F459-V475 HydrophobicContact CE2-CG1 4.03Å; F459-V475 HydrophobicContact CZ-CG1 4.27Å; V473-V475 HydrophobicContact CG1-CG2 4.09Å; V473-V475 HydrophobicContact CG2-CG2 4.34Å; V475-A497 HydrophobicContact CG1-CB 3.91Å; V475-L501 HydrophobicContact CG2-CD1 3.87Å; V475-I512 HydrophobicContact CG2-CG2 4.14Å; V475-I513 PolarHBondContact N-O 3.14Å; V475-F514 HydrophobicContact CB-CD1 3.92Å; V475-F514 HydrophobicContact CB-CE1 4.02Å; V475-F514 HydrophobicContact CG1-CD1 4.21Å; V475-F514 HydrophobicContact CG1-CE1 4.03Å; V475-D515 PolarHBondContact O-N 3.12Å
476	M	97.9	Very high	97	Very high	38 Å²	38	32.9 Å²	32.9	19%	0.187	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	139.4	176.6	-65.5	-69.7	-71.6	0	0	110.1	S449 I450 F478 D515 N517	S449-M476 WeakPolarHBondContact OG-CG 3.2Å; I450-M476 PolarHBondContact O-N 2.96Å; I450-M476 VanDerWaalsContact O-N 3.14Å; M476-F478 HydrophobicContact CB-CB 4.29Å; M476-F478 PolarHBondContact O-N 3.05Å; M476-D515 HydrophobicContact SD-CB 3.57Å; M476-D515 VanDerWaalsContact SD-CB 3.57Å; M476-D515 VanDerWaalsContact SD-CG 3.57Å; M476-N517 VanDerWaalsContact CE-OD1 3.24Å; M476-N517 WeakPolarHBondContact CE-OD1 3.41Å
477	A	97.9	Very high	97	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.008	18%	0.177	C	C	.	.	S	Bend	trans	-73.2	67.5	168.9	0	0	0	0	0	110.9	A484 I493 D515 N517	A477-A484 HydrophobicContact CB-CB 4.04Å; A477-A484 WeakPolarHBondContact O-CB 3.3Å; A477-A484 PolarHBondContact O-N 3.5Å; A477-I493 HydrophobicContact CB-CB 4.36Å; A477-I493 HydrophobicContact CB-CG2 4.36Å; A477-D515 PolarHBondContact N-O 3.16Å; A477-N517 PolarHBondContact O-ND2 2.82Å
478	F	97.4	Very high	97	Very high	50 Å²	50	37.9 Å²	37.9	22%	0.219	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	120.2	179.6	-159.9	142	0	0	0	108.2	S451 M452 K453 M476 Q483	S451-F478 WeakPolarHBondContact CB-O 3.32Å; M452-F478 PolarHBondContact N-O 3.13Å; K453-F478 HydrophobicContact CB-CD2 3.62Å; K453-F478 HydrophobicContact CB-CE2 3.87Å; K453-F478 HydrophobicContact CB-CG 4.2Å; K453-F478 HydrophobicContact CD-CD1 4.49Å; K453-F478 HydrophobicContact CD-CD2 4.24Å; K453-F478 HydrophobicContact CD-CE1 4.1Å; K453-F478 HydrophobicContact CD-CE2 3.85Å; K453-F478 HydrophobicContact CD-CZ 3.78Å; K453-F478 HydrophobicContact CG-CD2 3.85Å; K453-F478 HydrophobicContact CG-CE2 3.52Å; K453-F478 HydrophobicContact CG-CZ 3.98Å; K453-F478 PolarHBondContact N-O 3.35Å; M476-F478 HydrophobicContact CB-CB 4.29Å; M476-F478 PolarHBondContact O-N 3.05Å; F478-Q483 HydrophobicContact CD1-CB 3.82Å; F478-Q483 HydrophobicContact CD1-CG 3.96Å; F478-Q483 HydrophobicContact CE1-CB 3.96Å; F478-Q483 HydrophobicContact CE1-CG 4.45Å; F478-Q483 HydrophobicContact CG-CB 4.23Å; F478-Q483 HydrophobicContact CG-CG 4.47Å; F478-Q483 HydrophobicContact CZ-CB 4.46Å
479	D	97.5	Very high	97.1	Very high	3 Å²	3	37 Å²	37	2%	0.016	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	-171.6	175.3	73.4	3.8	0	0	0	111.9	M452 Q481 G482 R489 I493 R496	M452-D479 HydrophobicContact CB-CB 4.08Å; M452-D479 HydrophobicContact CE-CB 4.28Å; D479-Q481 PolarHBondContact O-N 2.88Å; D479-Q481 VanDerWaalsContact O-N 3.07Å; D479-Q481 WeakPolarHBondContact OD1-CA 3.27Å; D479-Q481 WeakPolarHBondContact OD1-CB 3.38Å; D479-Q481 PolarHBondContact OD1-N 2.93Å; D479-G482 PolarHBondContact N-O 2.86Å; D479-G482 PolarHBondContact O-N 3.17Å; D479-G482 PolarHBondContact OD1-N 3.11Å; D479-R489 VanDerWaalsContact CG-NH2 3.28Å; D479-R489 IonicContact OD1-NH2 3.14Å; D479-R489 PolarHBondContact OD1-NH2 3.06Å; D479-R489 IonicContact OD2-CZ 3.84Å; D479-R489 IonicContact OD2-NH1 2.87Å; D479-R489 IonicContact OD2-NH2 3.16Å; D479-R489 PolarHBondContact OD2-NH2 2.99Å; D479-I493 HydrophobicContact CB-CD1 4.16Å; D479-I493 HydrophobicContact CB-CG1 4.35Å; D479-I493 HydrophobicContact CB-CG2 4.39Å; D479-R496 IonicContact OD2-NH1 2.71Å
480	E	97.2	Very high	97.1	Very high	90 Å²	90	36.6 Å²	36.6	42%	0.421	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-17.3	-178.9	-52.6	91.4	148.9	0	0	113.4	M452 R496	M452-E480 WeakPolarHBondContact O-CG 3.29Å; M452-E480 PolarHBondContact O-N 2.97Å; E480-R496 IonicContact OE1-CZ 3.48Å; E480-R496 IonicContact OE1-NH1 3.66Å; E480-R496 IonicContact OE1-NH2 3.64Å; E480-R496 PolarHBondContact OE1-NH2 3.44Å; E480-R496 IonicContact OE2-CZ 2.75Å; E480-R496 IonicContact OE2-NH1 3.62Å; E480-R496 PolarHBondContact OE2-NH1 3.32Å; E480-R496 IonicContact OE2-NH2 2.74Å; E480-R496 PolarHBondContact OE2-NH2 2.93Å
481	Q	94.5	Very high	97.1	Very high	152 Å²	152	37 Å²	37	71%	0.71	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-9.5	178.8	-54.4	-177.5	22.4	0	0	112.8	D479	D479-Q481 PolarHBondContact O-N 2.88Å; D479-Q481 VanDerWaalsContact O-N 3.07Å; D479-Q481 WeakPolarHBondContact OD1-CA 3.27Å; D479-Q481 WeakPolarHBondContact OD1-CB 3.38Å; D479-Q481 PolarHBondContact OD1-N 2.93Å
482	G	93.4	Very high	97.1	Very high	22 Å²	22	41 Å²	41	23%	0.227	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	123.4	-173.2	178.9	0	0	0	0	0	113.8	D479	D479-G482 PolarHBondContact N-O 2.86Å; D479-G482 PolarHBondContact O-N 3.17Å; D479-G482 PolarHBondContact OD1-N 3.11Å
483	Q	95.3	Very high	97.1	Very high	81 Å²	81	41.1 Å²	41.1	38%	0.379	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	136.6	-180	-161.7	175.2	11.1	0	0	110.9	F478 D485 N517 F519	F478-Q483 HydrophobicContact CD1-CB 3.82Å; F478-Q483 HydrophobicContact CD1-CG 3.96Å; F478-Q483 HydrophobicContact CE1-CB 3.96Å; F478-Q483 HydrophobicContact CE1-CG 4.45Å; F478-Q483 HydrophobicContact CG-CB 4.23Å; F478-Q483 HydrophobicContact CG-CG 4.47Å; F478-Q483 HydrophobicContact CZ-CB 4.46Å; Q483-D485 PolarHBondContact O-N 3.23Å; Q483-N517 HydrophobicContact CG-CB 4.36Å; Q483-N517 WeakPolarHBondContact CG-ND2 3.28Å; Q483-N517 VanDerWaalsContact NE2-CG 3.3Å; Q483-N517 PolarHBondContact NE2-OD1 3.14Å; Q483-F519 HydrophobicContact CG-CZ 3.86Å
484	A	96	Very high	97.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.212	C	C	.	.			trans	-76.4	114.9	179.7	0	0	0	0	0	113	A477 R489 K490 I493 N517 F519	A477-A484 HydrophobicContact CB-CB 4.04Å; A477-A484 WeakPolarHBondContact O-CB 3.3Å; A477-A484 PolarHBondContact O-N 3.5Å; A484-R489 HydrophobicContact CB-CB 3.73Å; A484-K490 HydrophobicContact CB-CB 4.33Å; A484-K490 HydrophobicContact CB-CG 3.8Å; A484-K490 PolarHBondContact O-NZ 2.86Å; A484-I493 HydrophobicContact CB-CD1 3.74Å; A484-N517 PolarHBondContact O-ND2 2.9Å; A484-F519 WeakPolarHBondContact O-CE2 3.27Å
485	D	94.2	Very high	97.1	Very high	68 Å²	68	46.4 Å²	46.4	36%	0.364	23%	0.232	S	C	.	.			trans	-97.4	-33.6	-179.1	57.3	-4.6	0	0	0	114.2	Q483 K490 F519 Y531	Q483-D485 PolarHBondContact O-N 3.23Å; D485-K490 WeakPolarHBondContact O-CE 3.4Å; D485-F519 HydrophobicContact CB-CE2 4.32Å; D485-Y531 HydrophobicContact CB-CE1 4.2Å
486	T	96.4	Very high	97.1	Very high	58 Å²	58	50.3 Å²	50.3	36%	0.356	25%	0.246	S	C	.	.	S	Bend	trans	-100.1	153.6	179.9	59.3	0	0	0	0	113.1	A488 R489 K490	T486-A488 PolarHBondContact O-N 2.99Å; T486-A488 VanDerWaalsContact O-N 3.17Å; T486-R489 PolarHBondContact O-N 3.02Å; T486-R489 VanDerWaalsContact O-N 3.09Å; T486-R489 PolarHBondContact OG1-N 2.86Å; T486-K490 VanDerWaalsContact O-CG 3.29Å; T486-K490 WeakPolarHBondContact O-CG 3.47Å; T486-K490 PolarHBondContact O-N 3.31Å
487	R	97.4	Very high	97.1	Very high	82 Å²	82	48.5 Å²	48.5	31%	0.309	24%	0.238	S	C	.	.	H	α-helix	trans	-49.6	-43.1	175.9	180	177.7	177.2	165.1	5.5	112.8	K490 I491 D534 G537 E540 D541	R487-K490 PolarHBondContact O-N 3.28Å; R487-I491 WeakPolarHBondContact O-CG2 3.48Å; R487-I491 PolarHBondContact O-N 3.23Å; R487-D534 HydrophobicContact CB-CB 4.16Å; R487-D534 VanDerWaalsContact CB-OD1 3.29Å; R487-D534 WeakPolarHBondContact CB-OD1 3.48Å; R487-D534 PolarHBondContact N-OD1 3.37Å; R487-G537 PolarHBondContact NE-O 3.43Å; R487-G537 PolarHBondContact NH2-O 3.37Å; R487-E540 IonicContact NH2-OE2 2.75Å; R487-E540 PolarHBondContact NH2-OE2 3.27Å; R487-D541 IonicContact CZ-OD1 2.96Å; R487-D541 IonicContact CZ-OD2 2.8Å; R487-D541 IonicContact NE-OD1 3.17Å; R487-D541 IonicContact NE-OD2 2.89Å; R487-D541 PolarHBondContact NE-OD2 2.57Å; R487-D541 VanDerWaalsContact NH2-CG 3.34Å; R487-D541 IonicContact NH2-OD1 3.46Å; R487-D541 PolarHBondContact NH2-OD1 2.96Å; R487-D541 IonicContact NH2-OD2 2.68Å; R487-D541 PolarHBondContact NH2-OD2 2.97Å
488	A	97.6	Very high	97.1	Very high	71 Å²	71	50.1 Å²	50.1	59%	0.587	24%	0.244	S	C	*	.	H	α-helix	trans	-63.6	-44.5	179.8	0	0	0	0	0	112.9	T486 I491 E492	T486-A488 PolarHBondContact O-N 2.99Å; T486-A488 VanDerWaalsContact O-N 3.17Å; A488-I491 WeakPolarHBondContact O-CG2 3.16Å; A488-E492 WeakPolarHBondContact O-CB 3.29Å; A488-E492 PolarHBondContact O-N 3.28Å; A488-E492 VanDerWaalsContact O-N 3.14Å
489	R	97.6	Very high	97.2	Very high	42 Å²	42	53.1 Å²	53.1	16%	0.158	26%	0.256	C	S	.	.	H	α-helix	trans	-67.3	-39.4	176.1	-77.2	-68.3	-64	149.8	-1.6	111.8	D479 A484 T486 E492 I493	D479-R489 VanDerWaalsContact CG-NH2 3.28Å; D479-R489 IonicContact OD1-NH2 3.14Å; D479-R489 PolarHBondContact OD1-NH2 3.06Å; D479-R489 IonicContact OD2-CZ 3.84Å; D479-R489 IonicContact OD2-NH1 2.87Å; D479-R489 IonicContact OD2-NH2 3.16Å; D479-R489 PolarHBondContact OD2-NH2 2.99Å; A484-R489 HydrophobicContact CB-CB 3.73Å; T486-R489 PolarHBondContact O-N 3.02Å; T486-R489 VanDerWaalsContact O-N 3.09Å; T486-R489 PolarHBondContact OG1-N 2.86Å; R489-E492 WeakPolarHBondContact CD-OE2 3.36Å; R489-E492 IonicContact CZ-OE2 3.65Å; R489-E492 IonicContact NH1-OE1 3.04Å; R489-E492 PolarHBondContact NH1-OE1 3.27Å; R489-E492 IonicContact NH1-OE2 2.82Å; R489-E492 PolarHBondContact NH1-OE2 3.29Å; R489-E492 PolarHBondContact O-N 3.06Å; R489-I493 WeakPolarHBondContact O-CG1 3.43Å; R489-I493 PolarHBondContact O-N 3.5Å; R489-I493 VanDerWaalsContact O-N 3.11Å
490	K	98.3	Very high	97.2	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-57.8	-53.8	180	-68.5	172.8	-170.1	-59.2	0	110.6	A484 D485 T486 R487 E492 C494 P516 N517 A538	A484-K490 HydrophobicContact CB-CB 4.33Å; A484-K490 HydrophobicContact CB-CG 3.8Å; A484-K490 PolarHBondContact O-NZ 2.86Å; D485-K490 WeakPolarHBondContact O-CE 3.4Å; T486-K490 VanDerWaalsContact O-CG 3.29Å; T486-K490 WeakPolarHBondContact O-CG 3.47Å; T486-K490 PolarHBondContact O-N 3.31Å; R487-K490 PolarHBondContact O-N 3.28Å; K490-E492 PolarHBondContact O-N 3.41Å; K490-C494 PolarHBondContact O-N 2.83Å; K490-C494 VanDerWaalsContact O-N 3.16Å; K490-C494 PolarHBondContact O-SG 3.35Å; K490-P516 HydrophobicContact CB-CB 4.17Å; K490-P516 HydrophobicContact CD-CB 4.29Å; K490-P516 WeakPolarHBondContact CD-O 3.28Å; K490-P516 WeakPolarHBondContact CE-O 3.42Å; K490-P516 HydrophobicContact CG-CB 4.35Å; K490-P516 VanDerWaalsContact CG-O 3.32Å; K490-P516 WeakPolarHBondContact CG-O 3.35Å; K490-P516 PolarHBondContact NZ-O 2.95Å; K490-N517 PolarHBondContact NZ-O 3.4Å; K490-A538 HydrophobicContact CB-CB 3.95Å; K490-A538 HydrophobicContact CD-CB 4.04Å
491	I	98.2	Very high	97.3	Very high	12 Å²	12	49.2 Å²	49.2	6%	0.062	24%	0.239	C	C	.	.	H	α-helix	trans	-68.6	-34.1	179.5	-171.1	61.1	0	0	0	113.1	R487 A488 C494 R495 D541 I542 L546	R487-I491 WeakPolarHBondContact O-CG2 3.48Å; R487-I491 PolarHBondContact O-N 3.23Å; A488-I491 WeakPolarHBondContact O-CG2 3.16Å; I491-C494 PolarHBondContact O-N 2.88Å; I491-R495 VanDerWaalsContact O-CB 3.31Å; I491-R495 WeakPolarHBondContact O-CB 3.25Å; I491-R495 PolarHBondContact O-N 3.26Å; I491-D541 HydrophobicContact CB-CB 4.21Å; I491-D541 HydrophobicContact CD1-CB 3.77Å; I491-D541 HydrophobicContact CG1-CB 3.87Å; I491-I542 HydrophobicContact CD1-CG1 3.91Å; I491-L546 HydrophobicContact CD1-CD1 4.48Å
492	E	98.3	Very high	97.5	Very high	88 Å²	88	43.7 Å²	43.7	41%	0.411	22%	0.215	S	C	.	.	H	α-helix	trans	-58	-50.2	176.4	-175.3	-165	165	0	0	111.6	A488 R489 K490 R495 R496	A488-E492 WeakPolarHBondContact O-CB 3.29Å; A488-E492 PolarHBondContact O-N 3.28Å; A488-E492 VanDerWaalsContact O-N 3.14Å; R489-E492 WeakPolarHBondContact CD-OE2 3.36Å; R489-E492 IonicContact CZ-OE2 3.65Å; R489-E492 IonicContact NH1-OE1 3.04Å; R489-E492 PolarHBondContact NH1-OE1 3.27Å; R489-E492 IonicContact NH1-OE2 2.82Å; R489-E492 PolarHBondContact NH1-OE2 3.29Å; R489-E492 PolarHBondContact O-N 3.06Å; K490-E492 PolarHBondContact O-N 3.41Å; E492-R495 PolarHBondContact O-N 2.98Å; E492-R496 PolarHBondContact O-N 2.9Å; E492-R496 VanDerWaalsContact O-N 3.11Å
493	I	98.4	Very high	97.7	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.01	24%	0.235	C	C	.	.	H	α-helix	trans	-66.1	-46.1	-180	-61.9	-179.9	0	0	0	110.5	M452 A477 D479 A484 R489 R495 R496 A497	M452-I493 HydrophobicContact CE-CG2 3.71Å; A477-I493 HydrophobicContact CB-CB 4.36Å; A477-I493 HydrophobicContact CB-CG2 4.36Å; D479-I493 HydrophobicContact CB-CD1 4.16Å; D479-I493 HydrophobicContact CB-CG1 4.35Å; D479-I493 HydrophobicContact CB-CG2 4.39Å; A484-I493 HydrophobicContact CB-CD1 3.74Å; R489-I493 WeakPolarHBondContact O-CG1 3.43Å; R489-I493 PolarHBondContact O-N 3.5Å; R489-I493 VanDerWaalsContact O-N 3.11Å; I493-R495 VanDerWaalsContact C-N 3.31Å; I493-R495 PolarHBondContact O-N 3.09Å; I493-R496 PolarHBondContact O-N 3.43Å; I493-A497 PolarHBondContact O-N 3.02Å
494	C	98.6	Very high	97.8	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.007	24%	0.243	C	C	.	.	H	α-helix	trans	-58.9	-42.2	178.4	-65	0	0	0	0	111.8	K490 I491 R496 A497 Y498 F514 I542 L546	K490-C494 PolarHBondContact O-N 2.83Å; K490-C494 VanDerWaalsContact O-N 3.16Å; K490-C494 PolarHBondContact O-SG 3.35Å; I491-C494 PolarHBondContact O-N 2.88Å; C494-R496 PolarHBondContact O-N 3.12Å; C494-A497 PolarHBondContact O-N 3.34Å; C494-Y498 VanDerWaalsContact O-CB 3.28Å; C494-Y498 WeakPolarHBondContact O-CB 3.35Å; C494-Y498 PolarHBondContact O-N 2.96Å; C494-F514 HydrophobicContact CB-CD1 3.9Å; C494-F514 HydrophobicContact CB-CD2 4.38Å; C494-F514 HydrophobicContact CB-CE1 3.95Å; C494-F514 HydrophobicContact CB-CE2 4.41Å; C494-F514 HydrophobicContact CB-CG 4.14Å; C494-F514 HydrophobicContact CB-CZ 4.21Å; C494-F514 WeakPolarHBondContact O-CZ 3.5Å; C494-I542 HydrophobicContact CB-CD1 4.45Å; C494-I542 HydrophobicContact CB-CG1 4.31Å; C494-L546 HydrophobicContact CB-CD1 3.82Å
495	R	98.3	Very high	97.9	Very high	111 Å²	111	52 Å²	52	42%	0.419	25%	0.25	S	C	.	.	H	α-helix	trans	-62.2	-42.7	176.7	-168.8	-175.1	-57.2	115.2	-2.5	112.2	I491 E492 I493 K499 E545 L546	I491-R495 VanDerWaalsContact O-CB 3.31Å; I491-R495 WeakPolarHBondContact O-CB 3.25Å; I491-R495 PolarHBondContact O-N 3.26Å; E492-R495 PolarHBondContact O-N 2.98Å; I493-R495 VanDerWaalsContact C-N 3.31Å; I493-R495 PolarHBondContact O-N 3.09Å; R495-K499 PolarHBondContact O-N 3.36Å; R495-K499 VanDerWaalsContact O-N 3.15Å; R495-E545 IonicContact CZ-OE2 2.82Å; R495-E545 IonicContact NE-OE2 2.81Å; R495-E545 PolarHBondContact NE-OE2 3.3Å; R495-E545 IonicContact NH2-OE1 2.67Å; R495-E545 IonicContact NH2-OE2 2.81Å; R495-E545 PolarHBondContact NH2-OE2 3.25Å; R495-L546 HydrophobicContact CB-CD2 4.47Å; R495-L546 HydrophobicContact CG-CD2 4.4Å
496	R	98.3	Very high	97.9	Very high	84 Å²	84	51 Å²	51	32%	0.317	26%	0.256	S	S	.	.	H	α-helix	trans	-63.5	-48.5	177.1	-179.6	179.8	171.9	-154	-6.5	111.1	M452 D479 E480 E492 I493 C494 K499 I500	M452-R496 HydrophobicContact CE-CB 4.23Å; M452-R496 HydrophobicContact CE-CG 4.05Å; M452-R496 HydrophobicContact SD-CG 3.99Å; D479-R496 IonicContact OD2-NH1 2.71Å; E480-R496 IonicContact OE1-CZ 3.48Å; E480-R496 IonicContact OE1-NH1 3.66Å; E480-R496 IonicContact OE1-NH2 3.64Å; E480-R496 PolarHBondContact OE1-NH2 3.44Å; E480-R496 IonicContact OE2-CZ 2.75Å; E480-R496 IonicContact OE2-NH1 3.62Å; E480-R496 PolarHBondContact OE2-NH1 3.32Å; E480-R496 IonicContact OE2-NH2 2.74Å; E480-R496 PolarHBondContact OE2-NH2 2.93Å; E492-R496 PolarHBondContact O-N 2.9Å; E492-R496 VanDerWaalsContact O-N 3.11Å; I493-R496 PolarHBondContact O-N 3.43Å; C494-R496 PolarHBondContact O-N 3.12Å; R496-K499 PolarHBondContact O-N 3.48Å; R496-I500 HydrophobicContact CG-CD1 4.07Å; R496-I500 WeakPolarHBondContact O-CG1 3.42Å; R496-I500 PolarHBondContact O-N 2.89Å
497	A	98.4	Very high	98	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.008	24%	0.24	C	C	.	.	H	α-helix	trans	-62.9	-44.7	178.7	0	0	0	0	0	112.3	M452 F459 V475 I493 C494 K499 I500 L501 F514	M452-A497 HydrophobicContact CE-CB 3.97Å; F459-A497 HydrophobicContact CZ-CB 4.04Å; V475-A497 HydrophobicContact CG1-CB 3.91Å; I493-A497 PolarHBondContact O-N 3.02Å; C494-A497 PolarHBondContact O-N 3.34Å; A497-K499 VanDerWaalsContact C-N 3.32Å; A497-K499 PolarHBondContact O-N 2.83Å; A497-I500 PolarHBondContact O-N 2.9Å; A497-L501 WeakPolarHBondContact O-CB 3.28Å; A497-L501 WeakPolarHBondContact O-CG 3.44Å; A497-L501 PolarHBondContact O-N 2.89Å; A497-F514 HydrophobicContact CB-CE1 4.05Å
498	Y	98.7	Very high	98	Very high	35 Å²	35	45.3 Å²	45.3	14%	0.137	23%	0.23	C	C	.	.	H	α-helix	trans	-55.9	-46.7	177.2	-173.8	-91.1	0	0	0	111.7	C494 L501 T502 P509 I512 F514 L546 P547 A549	C494-Y498 VanDerWaalsContact O-CB 3.28Å; C494-Y498 WeakPolarHBondContact O-CB 3.35Å; C494-Y498 PolarHBondContact O-N 2.96Å; Y498-L501 PolarHBondContact O-N 3.25Å; Y498-T502 HydrophobicContact CD1-CG2 4.26Å; Y498-T502 HydrophobicContact CD2-CG2 4.39Å; Y498-T502 HydrophobicContact CE1-CG2 3.94Å; Y498-T502 HydrophobicContact CE2-CG2 4.1Å; Y498-T502 HydrophobicContact CG-CG2 4.48Å; Y498-T502 WeakPolarHBondContact O-CB 3.42Å; Y498-T502 WeakPolarHBondContact O-CG2 3.27Å; Y498-T502 PolarHBondContact O-N 3.44Å; Y498-T502 PolarHBondContact O-OG1 3.46Å; Y498-P509 HydrophobicContact CE2-CB 3.88Å; Y498-P509 WeakPolarHBondContact OH-CB 3.16Å; Y498-I512 HydrophobicContact CD2-CD1 4.28Å; Y498-F514 HydrophobicContact CD2-CE2 4.11Å; Y498-F514 HydrophobicContact CD2-CZ 4.25Å; Y498-L546 HydrophobicContact CD1-CD2 4.03Å; Y498-L546 HydrophobicContact CD2-CB 3.92Å; Y498-L546 HydrophobicContact CD2-CD2 4.36Å; Y498-L546 HydrophobicContact CD2-CG 4.49Å; Y498-L546 HydrophobicContact CE2-CB 4.11Å; Y498-L546 HydrophobicContact CG-CB 4.29Å; Y498-L546 HydrophobicContact CG-CD2 3.85Å; Y498-L546 HydrophobicContact CG-CG 4.43Å; Y498-P547 PolarHBondContact OH-O 2.89Å; Y498-A549 HydrophobicContact CD2-CB 4.4Å; Y498-A549 HydrophobicContact CE2-CB 4.27Å
499	K	98.5	Very high	98	Very high	112 Å²	112	43.3 Å²	43.3	49%	0.487	21%	0.211	S	C	.	.	H	α-helix	trans	-61	-47.7	179.1	-170.1	-176.6	179.6	-175.1	0	111.8	R495 R496 A497 E503	R495-K499 PolarHBondContact O-N 3.36Å; R495-K499 VanDerWaalsContact O-N 3.15Å; R496-K499 PolarHBondContact O-N 3.48Å; A497-K499 VanDerWaalsContact C-N 3.32Å; A497-K499 PolarHBondContact O-N 2.83Å; K499-E503 WeakPolarHBondContact CE-OE2 3.49Å; K499-E503 VanDerWaalsContact CG-CD 3.48Å; K499-E503 HydrophobicContact CG-CG 4.18Å; K499-E503 WeakPolarHBondContact CG-OE2 3.47Å; K499-E503 IonicContact NZ-OE2 2.76Å; K499-E503 VanDerWaalsContact O-CB 3.24Å; K499-E503 WeakPolarHBondContact O-CB 3.37Å; K499-E503 PolarHBondContact O-N 3.25Å
500	I	98.5	Very high	98	Very high	12 Å²	12	42.1 Å²	42.1	6%	0.062	21%	0.207	C	C	.	.	I	π-helix	trans	-61.8	-47.7	179.2	-66.6	163.6	0	0	0	110.5	M452 V456 F459 I460 R496 A497 E504 V505	M452-I500 HydrophobicContact SD-CD1 3.77Å; V456-I500 HydrophobicContact CG1-CD1 4.04Å; V456-I500 HydrophobicContact CG2-CD1 4.26Å; F459-I500 HydrophobicContact CD1-CG2 4Å; F459-I500 HydrophobicContact CE1-CB 4.22Å; F459-I500 HydrophobicContact CE1-CG2 3.9Å; I460-I500 HydrophobicContact CD1-CG2 4.02Å; I460-I500 HydrophobicContact CG1-CG2 3.64Å; R496-I500 HydrophobicContact CG-CD1 4.07Å; R496-I500 WeakPolarHBondContact O-CG1 3.42Å; R496-I500 PolarHBondContact O-N 2.89Å; A497-I500 PolarHBondContact O-N 2.9Å; I500-E504 WeakPolarHBondContact O-CA 3.33Å; I500-E504 WeakPolarHBondContact O-CB 3.34Å; I500-E504 PolarHBondContact O-N 3.2Å; I500-V505 PolarHBondContact O-N 2.85Å; I500-V505 VanDerWaalsContact O-N 3.12Å
501	L	98.6	Very high	98	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.208	C	C	.	.	I	π-helix	trans	-64	-45.5	-178.1	-72	174	0	0	0	112.2	F459 A463 V475 A497 Y498 V505 G506 F507 I512	F459-L501 HydrophobicContact CE1-CD1 4.48Å; F459-L501 HydrophobicContact CE1-CD2 3.89Å; F459-L501 HydrophobicContact CE1-CG 3.85Å; F459-L501 HydrophobicContact CZ-CD1 3.8Å; F459-L501 HydrophobicContact CZ-CD2 3.78Å; F459-L501 HydrophobicContact CZ-CG 3.66Å; A463-L501 HydrophobicContact CB-CD2 3.49Å; A463-L501 VanDerWaalsContact CB-CD2 3.49Å; V475-L501 HydrophobicContact CG2-CD1 3.87Å; A497-L501 WeakPolarHBondContact O-CB 3.28Å; A497-L501 WeakPolarHBondContact O-CG 3.44Å; A497-L501 PolarHBondContact O-N 2.89Å; Y498-L501 PolarHBondContact O-N 3.25Å; L501-V505 WeakPolarHBondContact O-CB 3.4Å; L501-G506 PolarHBondContact O-N 3.19Å; L501-F507 HydrophobicContact CB-CB 4.08Å; L501-F507 HydrophobicContact CD2-CB 4.42Å; L501-F507 WeakPolarHBondContact O-CB 3.42Å; L501-F507 PolarHBondContact O-N 2.86Å; L501-I512 HydrophobicContact CB-CD1 3.76Å; L501-I512 HydrophobicContact CD1-CD1 3.79Å; L501-I512 HydrophobicContact CD1-CG1 4.06Å; L501-I512 HydrophobicContact CD1-CG2 4.09Å; L501-I512 HydrophobicContact CG-CD1 4.44Å
502	T	98.2	Very high	98	Very high	36 Å²	36	41.7 Å²	41.7	22%	0.221	21%	0.205	C	C	.	.	I	π-helix	trans	-81.6	-40	-174.9	56.3	0	0	0	0	113.2	Y498 P509 I512	Y498-T502 HydrophobicContact CD1-CG2 4.26Å; Y498-T502 HydrophobicContact CD2-CG2 4.39Å; Y498-T502 HydrophobicContact CE1-CG2 3.94Å; Y498-T502 HydrophobicContact CE2-CG2 4.1Å; Y498-T502 HydrophobicContact CG-CG2 4.48Å; Y498-T502 WeakPolarHBondContact O-CB 3.42Å; Y498-T502 WeakPolarHBondContact O-CG2 3.27Å; Y498-T502 PolarHBondContact O-N 3.44Å; Y498-T502 PolarHBondContact O-OG1 3.46Å; T502-P509 HydrophobicContact CG2-CB 4.11Å; T502-I512 HydrophobicContact CG2-CD1 4.01Å
503	E	98.1	Very high	98.1	Very high	136 Å²	136	37.5 Å²	37.5	64%	0.636	19%	0.185	S	C	*	.	I	π-helix	trans	-91.5	-36.4	-174.8	-58.6	-178.7	-174.9	0	0	113.6	K499	K499-E503 WeakPolarHBondContact CE-OE2 3.49Å; K499-E503 VanDerWaalsContact CG-CD 3.48Å; K499-E503 HydrophobicContact CG-CG 4.18Å; K499-E503 WeakPolarHBondContact CG-OE2 3.47Å; K499-E503 IonicContact NZ-OE2 2.76Å; K499-E503 VanDerWaalsContact O-CB 3.24Å; K499-E503 WeakPolarHBondContact O-CB 3.37Å; K499-E503 PolarHBondContact O-N 3.25Å
504	E	97.3	Very high	98.1	Very high	118 Å²	118	37.4 Å²	37.4	55%	0.551	19%	0.185	S	C	*	.	I	π-helix	trans	-99.1	-36.3	-175.5	-58.8	-176.7	-146.8	0	0	113.3	I500	I500-E504 WeakPolarHBondContact O-CA 3.33Å; I500-E504 WeakPolarHBondContact O-CB 3.34Å; I500-E504 PolarHBondContact O-N 3.2Å
505	V	96.9	Very high	98.1	Very high	23 Å²	23	38 Å²	38	14%	0.139	19%	0.188	C	C	.	.	I	π-helix	trans	-91.7	-30.9	179.3	-179.8	0	0	0	0	112.1	I460 A463 K464 I500 L501 F507	I460-V505 HydrophobicContact CB-CG2 4.44Å; I460-V505 HydrophobicContact CG1-CG2 4.32Å; I460-V505 HydrophobicContact CG2-CG2 4.06Å; A463-V505 HydrophobicContact CB-CG1 4.05Å; A463-V505 HydrophobicContact CB-CG2 4.16Å; K464-V505 HydrophobicContact CG-CG1 3.94Å; I500-V505 PolarHBondContact O-N 2.85Å; I500-V505 VanDerWaalsContact O-N 3.12Å; L501-V505 WeakPolarHBondContact O-CB 3.4Å; V505-F507 HydrophobicContact CG1-CB 4.32Å; V505-F507 HydrophobicContact CG1-CD2 4.22Å
506	G	95.8	Very high	98	Very high	48 Å²	48	32.7 Å²	32.7	50%	0.495	17%	0.168	S	C	.	.			trans	74.7	29.9	-170.9	0	0	0	0	0	112.8	L501	L501-G506 PolarHBondContact O-N 3.19Å
507	F	98	Very high	97.9	Very high	3 Å²	3	28.8 Å²	28.8	1%	0.013	15%	0.153	C	C	.	.			trans	-74.6	132.8	177.2	-146.2	-79.7	0	0	0	110.1	A463 L466 R467 A471 V473 L501 V505 D511 I512	A463-F507 HydrophobicContact CB-CD2 4.37Å; A463-F507 WeakPolarHBondContact O-CE2 3.33Å; L466-F507 HydrophobicContact CB-CE2 4.02Å; L466-F507 HydrophobicContact CB-CZ 4.32Å; R467-F507 HydrophobicContact CB-CD2 4.18Å; R467-F507 HydrophobicContact CB-CE2 4.06Å; A471-F507 WeakPolarHBondContact O-CZ 3.4Å; V473-F507 HydrophobicContact CB-CZ 4.41Å; V473-F507 HydrophobicContact CG1-CE1 3.87Å; V473-F507 HydrophobicContact CG1-CZ 3.9Å; L501-F507 HydrophobicContact CB-CB 4.08Å; L501-F507 HydrophobicContact CD2-CB 4.42Å; L501-F507 WeakPolarHBondContact O-CB 3.42Å; L501-F507 PolarHBondContact O-N 2.86Å; V505-F507 HydrophobicContact CG1-CB 4.32Å; V505-F507 HydrophobicContact CG1-CD2 4.22Å; F507-D511 HydrophobicContact CD1-CB 4.31Å; F507-D511 HydrophobicContact CE1-CB 3.78Å; F507-I512 HydrophobicContact CD1-CG1 4.12Å
508	P	97.3	Very high	97.8	Very high	16 Å²	16	29.1 Å²	29.1	10%	0.104	16%	0.155	C	C	.	.			trans	-62.9	129.5	178.8	-19.5	30.1	0	0	0	111.2	E510 D511	P508-E510 HydrophobicContact CB-CG 4.39Å; P508-E510 WeakPolarHBondContact CB-OE2 3.32Å; P508-E510 PolarHBondContact O-N 2.85Å; P508-D511 HydrophobicContact CB-CB 4.47Å; P508-D511 PolarHBondContact O-N 3.49Å; P508-D511 VanDerWaalsContact O-N 3.08Å
509	P	98.2	Very high	97.7	Very high	30 Å²	30	29.5 Å²	29.5	20%	0.195	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-62.7	-30.6	-176.9	26.3	-35.3	0	0	0	113.1	Y498 T502 D511 I512 H548	Y498-P509 HydrophobicContact CE2-CB 3.88Å; Y498-P509 WeakPolarHBondContact OH-CB 3.16Å; T502-P509 HydrophobicContact CG2-CB 4.11Å; P509-D511 PolarHBondContact O-N 2.9Å; P509-I512 WeakPolarHBondContact O-CB 3.49Å; P509-I512 PolarHBondContact O-N 3.03Å; P509-H548 HydrophobicContact CB-CB 4.23Å; P509-H548 HydrophobicContact CG-CB 4.31Å
510	E	97.4	Very high	97.5	Very high	16 Å²	16	25.1 Å²	25.1	8%	0.075	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-68.4	-13.9	176.5	69.6	-88.2	-159.1	0	0	114.5	R229 V331 C333 P508 H548	R229-E510 IonicContact CZ-OE1 3.78Å; R229-E510 IonicContact NH1-OE1 3.45Å; R229-E510 PolarHBondContact NH1-OE1 3.31Å; R229-E510 VanDerWaalsContact NH1-OE1 3.17Å; R229-E510 IonicContact NH2-OE1 2.68Å; V331-E510 HydrophobicContact CG1-CB 3.79Å; V331-E510 HydrophobicContact CG1-CG 4.12Å; C333-E510 WeakPolarHBondContact CB-O 3.46Å; C333-E510 PolarHBondContact SG-O 3.37Å; C333-E510 VanDerWaalsContact SG-O 3.34Å; P508-E510 HydrophobicContact CB-CG 4.39Å; P508-E510 WeakPolarHBondContact CB-OE2 3.32Å; P508-E510 PolarHBondContact O-N 2.85Å; E510-H548 HydrophobicContact CB-CB 4.26Å
511	D	98.4	Very high	97.3	Very high	3 Å²	3	24.5 Å²	24.5	2%	0.016	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-99.8	5.1	176.7	-72.3	-26.3	0	0	0	112.4	K444 A472 V473 F507 P508 P509	K444-D511 WeakPolarHBondContact CE-OD1 3.32Å; K444-D511 IonicContact NZ-OD1 3.24Å; K444-D511 PolarHBondContact NZ-OD1 3.17Å; K444-D511 IonicContact NZ-OD2 3.98Å; K444-D511 PolarHBondContact NZ-OD2 3.41Å; A472-D511 HydrophobicContact CB-CB 4.17Å; V473-D511 PolarHBondContact N-O 2.94Å; F507-D511 HydrophobicContact CD1-CB 4.31Å; F507-D511 HydrophobicContact CE1-CB 3.78Å; P508-D511 HydrophobicContact CB-CB 4.47Å; P508-D511 PolarHBondContact O-N 3.49Å; P508-D511 VanDerWaalsContact O-N 3.08Å; P509-D511 PolarHBondContact O-N 2.9Å
512	I	98.7	Very high	96.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	119.8	176.4	-54.8	175.1	0	0	0	109.3	V475 Y498 L501 T502 F507 P509 F514 L550	V475-I512 HydrophobicContact CG2-CG2 4.14Å; Y498-I512 HydrophobicContact CD2-CD1 4.28Å; L501-I512 HydrophobicContact CB-CD1 3.76Å; L501-I512 HydrophobicContact CD1-CD1 3.79Å; L501-I512 HydrophobicContact CD1-CG1 4.06Å; L501-I512 HydrophobicContact CD1-CG2 4.09Å; L501-I512 HydrophobicContact CG-CD1 4.44Å; T502-I512 HydrophobicContact CG2-CD1 4.01Å; F507-I512 HydrophobicContact CD1-CG1 4.12Å; P509-I512 WeakPolarHBondContact O-CB 3.49Å; P509-I512 PolarHBondContact O-N 3.03Å; I512-F514 HydrophobicContact CG2-CD2 4.35Å; I512-F514 HydrophobicContact CG2-CE1 4.07Å; I512-F514 HydrophobicContact CG2-CE2 3.85Å; I512-F514 HydrophobicContact CG2-CZ 3.68Å; I512-L550 PolarHBondContact O-N 3.28Å
513	I	98.7	Very high	96.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	115.8	175.8	-57.1	156.4	0	0	0	107.5	I446 V473 V474 V475 L550 S552 M587	I446-I513 HydrophobicContact CD1-CD1 3.83Å; I446-I513 HydrophobicContact CG1-CD1 4.01Å; I446-I513 HydrophobicContact CG2-CD1 3.83Å; V473-I513 PolarHBondContact O-N 3.22Å; V474-I513 CarbonylContact C-O 3.49Å; V474-I513 WeakPolarHBondContact CA-O 3.43Å; V474-I513 HydrophobicContact CG2-CB 4.15Å; V474-I513 HydrophobicContact CG2-CD1 4.41Å; V474-I513 HydrophobicContact CG2-CG2 4.08Å; V475-I513 PolarHBondContact N-O 3.14Å; I513-L550 CarbonylContact C-O 3.56Å; I513-L550 WeakPolarHBondContact CA-O 3.34Å; I513-L550 HydrophobicContact CB-CB 4.39Å; I513-L550 HydrophobicContact CG1-CB 3.93Å; I513-L550 HydrophobicContact CG1-CD1 4.26Å; I513-L550 HydrophobicContact CG2-CB 4.39Å; I513-S552 VanDerWaalsContact CG2-CB 3.48Å; I513-M587 HydrophobicContact CD1-CE 4.13Å; I513-M587 HydrophobicContact CD1-SD 4.11Å; I513-M587 HydrophobicContact CG1-CE 4.34Å; I513-M587 HydrophobicContact CG2-SD 4.07Å
514	F	98.7	Very high	95.8	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	133.6	175.6	-72.4	-64.7	0	0	0	111.3	V475 C494 A497 Y498 I512 P516 I542 L546 A549 L550 I551 S552	V475-F514 HydrophobicContact CB-CD1 3.92Å; V475-F514 HydrophobicContact CB-CE1 4.02Å; V475-F514 HydrophobicContact CG1-CD1 4.21Å; V475-F514 HydrophobicContact CG1-CE1 4.03Å; C494-F514 HydrophobicContact CB-CD1 3.9Å; C494-F514 HydrophobicContact CB-CD2 4.38Å; C494-F514 HydrophobicContact CB-CE1 3.95Å; C494-F514 HydrophobicContact CB-CE2 4.41Å; C494-F514 HydrophobicContact CB-CG 4.14Å; C494-F514 HydrophobicContact CB-CZ 4.21Å; C494-F514 WeakPolarHBondContact O-CZ 3.5Å; A497-F514 HydrophobicContact CB-CE1 4.05Å; Y498-F514 HydrophobicContact CD2-CE2 4.11Å; Y498-F514 HydrophobicContact CD2-CZ 4.25Å; I512-F514 HydrophobicContact CG2-CD2 4.35Å; I512-F514 HydrophobicContact CG2-CE1 4.07Å; I512-F514 HydrophobicContact CG2-CE2 3.85Å; I512-F514 HydrophobicContact CG2-CZ 3.68Å; F514-P516 WeakPolarHBondContact O-CD 3.29Å; F514-I542 HydrophobicContact CB-CD1 4.09Å; F514-I542 HydrophobicContact CD2-CG2 3.97Å; F514-L546 HydrophobicContact CD2-CD1 4.16Å; F514-L546 HydrophobicContact CE2-CD1 3.56Å; F514-L546 HydrophobicContact CZ-CD1 4.08Å; F514-A549 HydrophobicContact CD2-CB 3.91Å; F514-A549 HydrophobicContact CE2-CB 3.75Å; F514-L550 PolarHBondContact N-O 3.44Å; F514-I551 WeakPolarHBondContact O-CA 3.32Å; F514-S552 PolarHBondContact O-N 3.33Å
515	D	98.2	Very high	95.3	Very high	13 Å²	13	20 Å²	20	7%	0.07	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	99.1	160.2	-175.8	-22.2	0	0	0	108.2	V474 V475 M476 A477 N517	V474-D515 HydrophobicContact CG1-CB 3.81Å; V475-D515 PolarHBondContact O-N 3.12Å; M476-D515 HydrophobicContact SD-CB 3.57Å; M476-D515 VanDerWaalsContact SD-CB 3.57Å; M476-D515 VanDerWaalsContact SD-CG 3.57Å; A477-D515 PolarHBondContact N-O 3.16Å; D515-N517 PolarHBondContact O-N 3.08Å; D515-N517 VanDerWaalsContact O-N 3.08Å; D515-N517 VanDerWaalsContact OD1-CA 3.23Å; D515-N517 WeakPolarHBondContact OD1-CA 3.43Å; D515-N517 PolarHBondContact OD1-N 2.95Å
516	P	97.7	Very high	94.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	17%	0.167	C	C	.	.			trans	-77.3	20.7	178.4	28.2	-27.6	0	0	0	113.2	K490 F514 F535 A538 I542 I551	K490-P516 HydrophobicContact CB-CB 4.17Å; K490-P516 HydrophobicContact CD-CB 4.29Å; K490-P516 WeakPolarHBondContact CD-O 3.28Å; K490-P516 WeakPolarHBondContact CE-O 3.42Å; K490-P516 HydrophobicContact CG-CB 4.35Å; K490-P516 VanDerWaalsContact CG-O 3.32Å; K490-P516 WeakPolarHBondContact CG-O 3.35Å; K490-P516 PolarHBondContact NZ-O 2.95Å; F514-P516 WeakPolarHBondContact O-CD 3.29Å; P516-F535 HydrophobicContact CB-CD2 4.43Å; P516-F535 HydrophobicContact CB-CE2 4.4Å; P516-F535 HydrophobicContact CG-CD2 3.8Å; P516-F535 HydrophobicContact CG-CE2 3.44Å; P516-F535 VanDerWaalsContact CG-CE2 3.44Å; P516-F535 HydrophobicContact CG-CZ 3.97Å; P516-A538 HydrophobicContact CB-CB 4.28Å; P516-I542 HydrophobicContact CB-CD1 4.22Å; P516-I542 HydrophobicContact CG-CD1 4.09Å; P516-I551 HydrophobicContact CG-CG2 4.24Å
517	N	95.9	Very high	94.4	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.011	17%	0.174	C	C	.	.			trans	65.3	104.2	179.2	-46.4	-64.9	0	0	0	114.6	M476 A477 Q483 A484 K490 D515 F519	M476-N517 VanDerWaalsContact CE-OD1 3.24Å; M476-N517 WeakPolarHBondContact CE-OD1 3.41Å; A477-N517 PolarHBondContact O-ND2 2.82Å; Q483-N517 HydrophobicContact CG-CB 4.36Å; Q483-N517 WeakPolarHBondContact CG-ND2 3.28Å; Q483-N517 VanDerWaalsContact NE2-CG 3.3Å; Q483-N517 PolarHBondContact NE2-OD1 3.14Å; A484-N517 PolarHBondContact O-ND2 2.9Å; K490-N517 PolarHBondContact NZ-O 3.4Å; D515-N517 PolarHBondContact O-N 3.08Å; D515-N517 VanDerWaalsContact O-N 3.08Å; D515-N517 VanDerWaalsContact OD1-CA 3.23Å; D515-N517 WeakPolarHBondContact OD1-CA 3.43Å; D515-N517 PolarHBondContact OD1-N 2.95Å; N517-F519 HydrophobicContact CB-CD2 4.37Å; N517-F519 HydrophobicContact CB-CE1 4.41Å; N517-F519 HydrophobicContact CB-CE2 3.65Å; N517-F519 HydrophobicContact CB-CZ 3.7Å
518	I	96.6	Very high	94.1	Very high	8 Å²	8	32.9 Å²	32.9	4%	0.041	18%	0.184	C	C	.	.			trans	-80	121.2	166.2	-58.6	179.4	0	0	0	109.4	F535 V555 N557 V558 F576 M585	I518-F535 HydrophobicContact CB-CD2 4.43Å; I518-F535 HydrophobicContact CB-CE2 4.42Å; I518-F535 HydrophobicContact CD1-CE1 4.33Å; I518-F535 HydrophobicContact CD1-CE2 4Å; I518-F535 HydrophobicContact CD1-CZ 3.86Å; I518-F535 HydrophobicContact CG1-CD1 4.44Å; I518-F535 HydrophobicContact CG1-CD2 3.53Å; I518-F535 HydrophobicContact CG1-CE1 4.2Å; I518-F535 HydrophobicContact CG1-CE2 3.2Å; I518-F535 HydrophobicContact CG1-CG 4.14Å; I518-F535 HydrophobicContact CG1-CZ 3.59Å; I518-V555 HydrophobicContact CD1-CG2 4.48Å; I518-N557 HydrophobicContact CB-CB 4.33Å; I518-N557 HydrophobicContact CG2-CB 4.05Å; I518-N557 VanDerWaalsContact O-CB 3.31Å; I518-N557 WeakPolarHBondContact O-CB 3.49Å; I518-V558 HydrophobicContact CG2-CB 3.74Å; I518-V558 HydrophobicContact CG2-CG2 4.48Å; I518-F576 HydrophobicContact CD1-CE1 3.66Å; I518-F576 HydrophobicContact CD1-CZ 3.74Å; I518-F576 HydrophobicContact CG1-CE1 4.43Å; I518-F576 HydrophobicContact CG1-CZ 4.01Å; I518-F576 HydrophobicContact CG2-CZ 4.3Å; I518-M585 HydrophobicContact CD1-CE 4.28Å
519	F	95.9	Very high	93.9	Very high	43 Å²	43	33.4 Å²	33.4	19%	0.189	19%	0.185	C	C	.	.			trans	-110.6	161.3	174.3	-63.6	-67.3	0	0	0	112.3	Q483 A484 D485 N517 Y531	Q483-F519 HydrophobicContact CG-CZ 3.86Å; A484-F519 WeakPolarHBondContact O-CE2 3.27Å; D485-F519 HydrophobicContact CB-CE2 4.32Å; N517-F519 HydrophobicContact CB-CD2 4.37Å; N517-F519 HydrophobicContact CB-CE1 4.41Å; N517-F519 HydrophobicContact CB-CE2 3.65Å; N517-F519 HydrophobicContact CB-CZ 3.7Å; F519-Y531 HydrophobicContact CB-CD2 3.35Å; F519-Y531 HydrophobicContact CB-CE2 3.91Å; F519-Y531 HydrophobicContact CB-CG 3.84Å; F519-Y531 HydrophobicContact CD2-CD2 4.4Å; F519-Y531 HydrophobicContact CD2-CG 4.36Å; F519-Y531 HydrophobicContact CG-CD2 4.13Å; F519-Y531 HydrophobicContact CG-CE2 4.32Å
520	A	94.5	Very high	93.7	Very high	20 Å²	20	34.5 Å²	34.5	17%	0.165	19%	0.19	C	C	.	.			trans	-70.3	135.2	179.5	0	0	0	0	0	112.1	T523 N557 F560	A520-T523 HydrophobicContact CB-CG2 3.85Å; A520-N557 VanDerWaalsContact CA-O 3.25Å; A520-N557 WeakPolarHBondContact CA-O 3.46Å; A520-N557 WeakPolarHBondContact CB-O 3.25Å; A520-N557 PolarHBondContact N-O 3.26Å; A520-F560 HydrophobicContact CB-CB 3.87Å
521	V	94.3	Very high	93.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.193	C	C	.	.			trans	-102.9	172.9	171.7	-63.4	0	0	0	0	111.2	T523 A532 V558 S561 V612 I613	V521-T523 PolarHBondContact O-N 3.31Å; V521-T523 VanDerWaalsContact O-N 3.12Å; V521-A532 HydrophobicContact CG1-CB 3.65Å; V521-V558 HydrophobicContact CG1-CG2 4.3Å; V521-V558 HydrophobicContact CG2-CG2 3.99Å; V521-V558 WeakPolarHBondContact CG2-O 3.39Å; V521-V558 PolarHBondContact N-O 3.04Å; V521-S561 WeakPolarHBondContact O-CB 3.29Å; V521-S561 PolarHBondContact O-OG 2.63Å; V521-V612 HydrophobicContact CB-CG1 3.92Å; V521-V612 HydrophobicContact CG2-CG1 3.64Å; V521-I613 HydrophobicContact CG2-CD1 4.23Å
522	A	90.9	Very high	93.6	Very high	3 Å²	3	35.4 Å²	35.4	3%	0.025	19%	0.193	C	C	.	.			trans	51.4	37.1	179.6	0	0	0	0	0	113.6	G524 F562 V612 T621	A522-G524 VanDerWaalsContact C-N 3.29Å; A522-F562 HydrophobicContact CB-CE2 3.64Å; A522-F562 HydrophobicContact CB-CZ 3.83Å; A522-V612 HydrophobicContact CB-CG1 3.89Å; A522-T621 HydrophobicContact CB-CG2 3.88Å
523	T	87.7	Confident	93.5	Very high	52 Å²	52	38.4 Å²	38.4	32%	0.319	21%	0.207	S	C	.	.	S	Bend	trans	-80.5	-11.6	179.4	59.3	0	0	0	0	112.8	A520 V521 I525 H528 S561	A520-T523 HydrophobicContact CB-CG2 3.85Å; V521-T523 PolarHBondContact O-N 3.31Å; V521-T523 VanDerWaalsContact O-N 3.12Å; T523-I525 PolarHBondContact OG1-N 3.39Å; T523-H528 WeakPolarHBondContact OG1-CB 3.34Å; T523-H528 PolarHBondContact OG1-ND1 3.38Å; T523-S561 VanDerWaalsContact CG2-OG 3.31Å; T523-S561 WeakPolarHBondContact CG2-OG 3.29Å
524	G	84.4	Confident	93.5	Very high	62 Å²	62	39.5 Å²	39.5	64%	0.639	21%	0.213	S	C	*	.	S	Bend	trans	86.9	2.1	-172.2	0	0	0	0	0	114.6	A522	A522-G524 VanDerWaalsContact C-N 3.29Å
525	I	87.2	Confident	93.5	Very high	77 Å²	77	39.6 Å²	39.6	40%	0.395	21%	0.213	S	C	.	.			trans	-103.4	123.2	175.9	-63.7	167.2	0	0	0	108	T523 E527 H528	T523-I525 PolarHBondContact OG1-N 3.39Å; I525-E527 VanDerWaalsContact C-N 3.27Å; I525-E527 HydrophobicContact CG2-CB 4.22Å; I525-E527 WeakPolarHBondContact CG2-OE2 3.28Å; I525-E527 PolarHBondContact O-N 3.02Å; I525-H528 HydrophobicContact CB-CB 4.43Å; I525-H528 WeakPolarHBondContact CD1-CE1 3.34Å; I525-H528 WeakPolarHBondContact O-CB 3.34Å; I525-H528 PolarHBondContact O-N 3.36Å
526	E	86.8	Confident	93.5	Very high	160 Å²	160	39.1 Å²	39.1	75%	0.748	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-59.1	-39.4	-173.3	-172.3	-179.8	168.6	0	0	111.9	H528 N529	E526-H528 PolarHBondContact O-N 3.4Å; E526-H528 VanDerWaalsContact O-N 3.14Å; E526-N529 WeakPolarHBondContact O-CB 3.49Å; E526-N529 PolarHBondContact O-N 3.36Å; E526-N529 VanDerWaalsContact O-N 3.11Å
527	E	87.5	Confident	93.5	Very high	141 Å²	141	39.1 Å²	39.1	66%	0.659	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-61	-23.2	178.2	-62.9	85.2	169	0	0	113.1	I525	I525-E527 VanDerWaalsContact C-N 3.27Å; I525-E527 HydrophobicContact CG2-CB 4.22Å; I525-E527 WeakPolarHBondContact CG2-OE2 3.28Å; I525-E527 PolarHBondContact O-N 3.02Å
528	H	91.7	Very high	93.6	Very high	45 Å²	45	39 Å²	39	21%	0.208	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-88.9	-11.8	-178.8	-59.1	179	0	0	0	113	T523 I525 E526 N530 Y531	T523-H528 WeakPolarHBondContact OG1-CB 3.34Å; T523-H528 PolarHBondContact OG1-ND1 3.38Å; I525-H528 HydrophobicContact CB-CB 4.43Å; I525-H528 WeakPolarHBondContact CD1-CE1 3.34Å; I525-H528 WeakPolarHBondContact O-CB 3.34Å; I525-H528 PolarHBondContact O-N 3.36Å; E526-H528 PolarHBondContact O-N 3.4Å; E526-H528 VanDerWaalsContact O-N 3.14Å; H528-N530 PolarHBondContact O-N 2.99Å; H528-Y531 HydrophobicContact CB-CD2 3.73Å; H528-Y531 HydrophobicContact CB-CE2 3.6Å; H528-Y531 AromaticContact CD2-CE2 3.3Å; H528-Y531 WeakPolarHBondContact CD2-CE2 3.37Å; H528-Y531 AromaticContact CD2-CZ 3.43Å; H528-Y531 VanDerWaalsContact CD2-CZ 3.43Å; H528-Y531 PolarHBondContact CD2-OH 3.29Å; H528-Y531 AromaticContact CG-CE2 3.42Å; H528-Y531 VanDerWaalsContact CG-CE2 3.42Å; H528-Y531 PolarHBondContact O-N 3.19Å
529	N	92	Very high	93.6	Very high	26 Å²	26	38.7 Å²	38.7	14%	0.139	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-28.9	-175	-71.5	-17.9	0	0	0	112.5	E526 T621	E526-N529 WeakPolarHBondContact O-CB 3.49Å; E526-N529 PolarHBondContact O-N 3.36Å; E526-N529 VanDerWaalsContact O-N 3.11Å; N529-T621 PolarHBondContact OD1-OG1 3.25Å
530	N	95.4	Very high	93.7	Very high	54 Å²	54	41 Å²	41	29%	0.289	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-2.9	-175.8	-156.3	61.6	0	0	0	114.5	H528 A532 Q533 D534 N615	H528-N530 PolarHBondContact O-N 2.99Å; N530-A532 PolarHBondContact O-N 2.97Å; N530-Q533 PolarHBondContact O-N 3.48Å; N530-D534 PolarHBondContact ND2-OD1 2.96Å; N530-D534 PolarHBondContact ND2-OD2 3.14Å; N530-D534 WeakPolarHBondContact O-CB 3.42Å; N530-D534 PolarHBondContact O-N 2.87Å; N530-N615 PolarHBondContact OD1-ND2 3.42Å
531	Y	97.1	Very high	93.9	Very high	35 Å²	35	40.6 Å²	40.6	14%	0.137	22%	0.215	C	C	.	.	H	α-helix	trans	-61	-40.6	-170.2	-74.1	-16.8	0	0	0	114.9	D485 F519 H528 F535	D485-Y531 HydrophobicContact CB-CE1 4.2Å; F519-Y531 HydrophobicContact CB-CD2 3.35Å; F519-Y531 HydrophobicContact CB-CE2 3.91Å; F519-Y531 HydrophobicContact CB-CG 3.84Å; F519-Y531 HydrophobicContact CD2-CD2 4.4Å; F519-Y531 HydrophobicContact CD2-CG 4.36Å; F519-Y531 HydrophobicContact CG-CD2 4.13Å; F519-Y531 HydrophobicContact CG-CE2 4.32Å; H528-Y531 HydrophobicContact CB-CD2 3.73Å; H528-Y531 HydrophobicContact CB-CE2 3.6Å; H528-Y531 AromaticContact CD2-CE2 3.3Å; H528-Y531 WeakPolarHBondContact CD2-CE2 3.37Å; H528-Y531 AromaticContact CD2-CZ 3.43Å; H528-Y531 VanDerWaalsContact CD2-CZ 3.43Å; H528-Y531 PolarHBondContact CD2-OH 3.29Å; H528-Y531 AromaticContact CG-CE2 3.42Å; H528-Y531 VanDerWaalsContact CG-CE2 3.42Å; H528-Y531 PolarHBondContact O-N 3.19Å; Y531-F535 PolarHBondContact O-N 2.93Å; Y531-F535 VanDerWaalsContact O-N 3.12Å
532	A	96.5	Very high	94.1	Very high	2 Å²	2	40.6 Å²	40.6	2%	0.017	22%	0.215	C	C	.	.	H	α-helix	trans	-66.6	-44.5	176.5	0	0	0	0	0	111.4	V521 N530 D534 F535 I536 V558 F576 I613	V521-A532 HydrophobicContact CG1-CB 3.65Å; N530-A532 PolarHBondContact O-N 2.97Å; A532-D534 VanDerWaalsContact C-N 3.33Å; A532-D534 PolarHBondContact O-N 3.22Å; A532-F535 PolarHBondContact O-N 3.43Å; A532-I536 WeakPolarHBondContact O-CB 3.5Å; A532-I536 WeakPolarHBondContact O-CD1 3.34Å; A532-I536 VanDerWaalsContact O-CG1 3.27Å; A532-I536 WeakPolarHBondContact O-CG1 3.34Å; A532-I536 PolarHBondContact O-N 3.36Å; A532-V558 HydrophobicContact CB-CG2 4.26Å; A532-F576 HydrophobicContact CB-CD2 4.18Å; A532-F576 HydrophobicContact CB-CE2 4.34Å; A532-I613 HydrophobicContact CB-CD1 3.95Å; A532-I613 HydrophobicContact CB-CG2 4.32Å; A532-I613 WeakPolarHBondContact CB-O 3.41Å
533	Q	96.4	Very high	94.4	Very high	63 Å²	63	43.9 Å²	43.9	29%	0.294	23%	0.229	S	C	.	.	H	α-helix	trans	-63.8	-37.7	177.6	-170.6	63.9	18.1	0	0	112.2	N530 I536 G537 I613	N530-Q533 PolarHBondContact O-N 3.48Å; Q533-I536 PolarHBondContact O-N 3.34Å; Q533-G537 PolarHBondContact O-N 3.47Å; Q533-I613 PolarHBondContact N-O 2.93Å
534	D	97.8	Very high	94.9	Very high	24 Å²	24	48 Å²	48	13%	0.128	24%	0.238	C	C	.	.	H	α-helix	trans	-65.6	-39.2	175.5	-81.4	-35.1	0	0	0	112.4	R487 N530 A532 A538	R487-D534 HydrophobicContact CB-CB 4.16Å; R487-D534 VanDerWaalsContact CB-OD1 3.29Å; R487-D534 WeakPolarHBondContact CB-OD1 3.48Å; R487-D534 PolarHBondContact N-OD1 3.37Å; N530-D534 PolarHBondContact ND2-OD1 2.96Å; N530-D534 PolarHBondContact ND2-OD2 3.14Å; N530-D534 WeakPolarHBondContact O-CB 3.42Å; N530-D534 PolarHBondContact O-N 2.87Å; A532-D534 VanDerWaalsContact C-N 3.33Å; A532-D534 PolarHBondContact O-N 3.22Å; D534-A538 WeakPolarHBondContact O-CB 3.17Å; D534-A538 PolarHBondContact O-N 2.65Å
535	F	98.3	Very high	95.5	Very high	1 Å²	1	48.4 Å²	48.4	0%	0.004	22%	0.224	C	C	.	.	H	α-helix	trans	-64.4	-50.8	172.5	-177.1	-81.5	0	0	0	111.2	P516 I518 Y531 A532 G537 A538 C539 F576 A580 M585	P516-F535 HydrophobicContact CB-CD2 4.43Å; P516-F535 HydrophobicContact CB-CE2 4.4Å; P516-F535 HydrophobicContact CG-CD2 3.8Å; P516-F535 HydrophobicContact CG-CE2 3.44Å; P516-F535 VanDerWaalsContact CG-CE2 3.44Å; P516-F535 HydrophobicContact CG-CZ 3.97Å; I518-F535 HydrophobicContact CB-CD2 4.43Å; I518-F535 HydrophobicContact CB-CE2 4.42Å; I518-F535 HydrophobicContact CD1-CE1 4.33Å; I518-F535 HydrophobicContact CD1-CE2 4Å; I518-F535 HydrophobicContact CD1-CZ 3.86Å; I518-F535 HydrophobicContact CG1-CD1 4.44Å; I518-F535 HydrophobicContact CG1-CD2 3.53Å; I518-F535 HydrophobicContact CG1-CE1 4.2Å; I518-F535 HydrophobicContact CG1-CE2 3.2Å; I518-F535 HydrophobicContact CG1-CG 4.14Å; I518-F535 HydrophobicContact CG1-CZ 3.59Å; Y531-F535 PolarHBondContact O-N 2.93Å; Y531-F535 VanDerWaalsContact O-N 3.12Å; A532-F535 PolarHBondContact O-N 3.43Å; F535-G537 VanDerWaalsContact C-N 3.26Å; F535-G537 PolarHBondContact O-N 3.23Å; F535-A538 WeakPolarHBondContact O-CA 3.46Å; F535-A538 WeakPolarHBondContact O-CB 3.46Å; F535-A538 PolarHBondContact O-N 3.32Å; F535-C539 VanDerWaalsContact CE1-SG 3.53Å; F535-C539 PolarHBondContact O-N 3.37Å; F535-C539 PolarHBondContact O-SG 2.92Å; F535-C539 VanDerWaalsContact O-SG 3.38Å; F535-F576 AromaticContact CD1-CE2 3.94Å; F535-F576 HydrophobicContact CD1-CE2 3.94Å; F535-F576 AromaticContact CD1-CZ 3.45Å; F535-F576 HydrophobicContact CD1-CZ 3.45Å; F535-F576 VanDerWaalsContact CD1-CZ 3.45Å; F535-F576 HydrophobicContact CE1-CE1 4.39Å; F535-F576 AromaticContact CE1-CZ 3.69Å; F535-F576 HydrophobicContact CE1-CZ 3.69Å; F535-F576 HydrophobicContact CG-CE2 4.42Å; F535-F576 HydrophobicContact CG-CZ 4.08Å; F535-F576 HydrophobicContact CZ-CZ 4.47Å; F535-A580 HydrophobicContact CE1-CB 4.47Å; F535-M585 HydrophobicContact CE1-CE 4.42Å; F535-M585 HydrophobicContact CE1-SD 3.79Å; F535-M585 HydrophobicContact CZ-CE 4.27Å; F535-M585 HydrophobicContact CZ-SD 4.19Å
536	I	97.9	Very high	96	Very high	3 Å²	3	45 Å²	45	2%	0.015	21%	0.206	C	C	.	.	H	α-helix	trans	-57.3	-39.8	179.1	-71.8	163.4	0	0	0	111.1	A532 Q533 C539 F576 A580 N583 I613	A532-I536 WeakPolarHBondContact O-CB 3.5Å; A532-I536 WeakPolarHBondContact O-CD1 3.34Å; A532-I536 VanDerWaalsContact O-CG1 3.27Å; A532-I536 WeakPolarHBondContact O-CG1 3.34Å; A532-I536 PolarHBondContact O-N 3.36Å; Q533-I536 PolarHBondContact O-N 3.34Å; I536-C539 WeakPolarHBondContact O-CB 3.42Å; I536-F576 HydrophobicContact CD1-CD2 4.27Å; I536-F576 HydrophobicContact CD1-CE2 4.44Å; I536-F576 HydrophobicContact CG1-CD2 4.5Å; I536-F576 HydrophobicContact CG1-CE2 4.22Å; I536-A580 HydrophobicContact CG1-CB 4.22Å; I536-N583 HydrophobicContact CG2-CB 4.21Å; I536-N583 WeakPolarHBondContact CG2-ND2 3.48Å; I536-N583 WeakPolarHBondContact O-CB 3.46Å; I536-N583 PolarHBondContact O-ND2 3.38Å; I536-I613 HydrophobicContact CD1-CG2 3.84Å
537	G	97.7	Very high	96.5	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.01	19%	0.192	C	C	.	.	H	α-helix	trans	-70.5	-35.9	174.6	0	0	0	0	0	113.5	R487 Q533 F535 C539 E540 D541	R487-G537 PolarHBondContact NE-O 3.43Å; R487-G537 PolarHBondContact NH2-O 3.37Å; Q533-G537 PolarHBondContact O-N 3.47Å; F535-G537 VanDerWaalsContact C-N 3.26Å; F535-G537 PolarHBondContact O-N 3.23Å; G537-C539 VanDerWaalsContact C-N 3.29Å; G537-C539 PolarHBondContact O-N 3.18Å; G537-E540 PolarHBondContact O-N 3.4Å; G537-D541 PolarHBondContact O-N 3.43Å
538	A	98	Very high	96.9	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-66	-31.5	175.2	0	0	0	0	0	112.2	K490 P516 D534 F535 E540 D541 I542	K490-A538 HydrophobicContact CB-CB 3.95Å; K490-A538 HydrophobicContact CD-CB 4.04Å; P516-A538 HydrophobicContact CB-CB 4.28Å; D534-A538 WeakPolarHBondContact O-CB 3.17Å; D534-A538 PolarHBondContact O-N 2.65Å; F535-A538 WeakPolarHBondContact O-CA 3.46Å; F535-A538 WeakPolarHBondContact O-CB 3.46Å; F535-A538 PolarHBondContact O-N 3.32Å; A538-E540 VanDerWaalsContact C-N 3.35Å; A538-E540 PolarHBondContact O-N 3.09Å; A538-D541 PolarHBondContact O-N 3.18Å; A538-I542 WeakPolarHBondContact O-CB 3.37Å; A538-I542 VanDerWaalsContact O-CG1 3.29Å; A538-I542 WeakPolarHBondContact O-CG1 3.45Å; A538-I542 PolarHBondContact O-N 2.75Å
539	C	98.2	Very high	97.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-56	-49.6	173	-64	0	0	0	0	111.9	F535 I536 G537 D541 I542 K543 I551 N583	F535-C539 VanDerWaalsContact CE1-SG 3.53Å; F535-C539 PolarHBondContact O-N 3.37Å; F535-C539 PolarHBondContact O-SG 2.92Å; F535-C539 VanDerWaalsContact O-SG 3.38Å; I536-C539 WeakPolarHBondContact O-CB 3.42Å; G537-C539 VanDerWaalsContact C-N 3.29Å; G537-C539 PolarHBondContact O-N 3.18Å; C539-D541 VanDerWaalsContact C-N 3.33Å; C539-D541 PolarHBondContact O-N 3.38Å; C539-I542 PolarHBondContact O-N 2.86Å; C539-K543 PolarHBondContact O-N 3.23Å; C539-I551 HydrophobicContact CB-CD1 4.09Å; C539-I551 WeakPolarHBondContact O-CD1 3.24Å; C539-N583 CarbonylContact C-O 3.47Å; C539-N583 HydrophobicContact CB-CB 4.07Å; C539-N583 WeakPolarHBondContact CB-O 3.05Å
540	E	97.9	Very high	97.5	Very high	91 Å²	91	35.6 Å²	35.6	43%	0.425	17%	0.168	S	C	.	.	H	α-helix	trans	-62.6	-41.2	178.6	-177	-170.5	-160.8	0	0	111.4	R487 G537 A538 R544 N583	R487-E540 IonicContact NH2-OE2 2.75Å; R487-E540 PolarHBondContact NH2-OE2 3.27Å; G537-E540 PolarHBondContact O-N 3.4Å; A538-E540 VanDerWaalsContact C-N 3.35Å; A538-E540 PolarHBondContact O-N 3.09Å; E540-R544 VanDerWaalsContact O-CB 3.25Å; E540-R544 WeakPolarHBondContact O-CB 3.42Å; E540-R544 PolarHBondContact O-N 3.27Å; E540-N583 WeakPolarHBondContact CA-O 3.45Å; E540-N583 HydrophobicContact CB-CB 4.45Å; E540-N583 PolarHBondContact N-O 3.21Å; E540-N583 VanDerWaalsContact N-O 3.14Å
541	D	98.4	Very high	97.7	Very high	12 Å²	12	33 Å²	33	6%	0.064	15%	0.154	C	C	.	.	H	α-helix	trans	-64.7	-44.2	178.9	-64.9	-25.5	0	0	0	112.3	R487 I491 G537 A538 C539 R544 E545	R487-D541 IonicContact CZ-OD1 2.96Å; R487-D541 IonicContact CZ-OD2 2.8Å; R487-D541 IonicContact NE-OD1 3.17Å; R487-D541 IonicContact NE-OD2 2.89Å; R487-D541 PolarHBondContact NE-OD2 2.57Å; R487-D541 VanDerWaalsContact NH2-CG 3.34Å; R487-D541 IonicContact NH2-OD1 3.46Å; R487-D541 PolarHBondContact NH2-OD1 2.96Å; R487-D541 IonicContact NH2-OD2 2.68Å; R487-D541 PolarHBondContact NH2-OD2 2.97Å; I491-D541 HydrophobicContact CB-CB 4.21Å; I491-D541 HydrophobicContact CD1-CB 3.77Å; I491-D541 HydrophobicContact CG1-CB 3.87Å; G537-D541 PolarHBondContact O-N 3.43Å; A538-D541 PolarHBondContact O-N 3.18Å; C539-D541 VanDerWaalsContact C-N 3.33Å; C539-D541 PolarHBondContact O-N 3.38Å; D541-R544 PolarHBondContact O-N 3.46Å; D541-R544 IonicContact OD1-CZ 3.73Å; D541-R544 VanDerWaalsContact OD1-CZ 3.28Å; D541-R544 IonicContact OD1-NH1 3.75Å; D541-R544 PolarHBondContact OD1-NH1 3.03Å; D541-R544 IonicContact OD1-NH2 3.66Å; D541-R544 PolarHBondContact OD1-NH2 3.34Å; D541-E545 WeakPolarHBondContact O-CB 3.4Å; D541-E545 WeakPolarHBondContact O-CG 3.23Å; D541-E545 PolarHBondContact O-N 3.02Å
542	I	98.4	Very high	97.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-62.5	-50.5	178.3	-70.9	165.3	0	0	0	110	I491 C494 F514 P516 A538 C539 R544 E545 L546 I551	I491-I542 HydrophobicContact CD1-CG1 3.91Å; C494-I542 HydrophobicContact CB-CD1 4.45Å; C494-I542 HydrophobicContact CB-CG1 4.31Å; F514-I542 HydrophobicContact CB-CD1 4.09Å; F514-I542 HydrophobicContact CD2-CG2 3.97Å; P516-I542 HydrophobicContact CB-CD1 4.22Å; P516-I542 HydrophobicContact CG-CD1 4.09Å; A538-I542 WeakPolarHBondContact O-CB 3.37Å; A538-I542 VanDerWaalsContact O-CG1 3.29Å; A538-I542 WeakPolarHBondContact O-CG1 3.45Å; A538-I542 PolarHBondContact O-N 2.75Å; C539-I542 PolarHBondContact O-N 2.86Å; I542-R544 PolarHBondContact O-N 3.11Å; I542-E545 PolarHBondContact O-N 3.22Å; I542-L546 HydrophobicContact CG1-CD1 4.37Å; I542-L546 HydrophobicContact CG2-CB 4.37Å; I542-L546 HydrophobicContact CG2-CD1 4.24Å; I542-L546 WeakPolarHBondContact O-CA 3.34Å; I542-L546 WeakPolarHBondContact O-CB 3.47Å; I542-L546 PolarHBondContact O-N 3.46Å; I542-I551 HydrophobicContact CB-CD1 3.71Å; I542-I551 HydrophobicContact CB-CG1 4.38Å; I542-I551 HydrophobicContact CD1-CD1 4.22Å; I542-I551 HydrophobicContact CG2-CD1 3.63Å; I542-I551 HydrophobicContact CG2-CG1 3.81Å
543	K	96.9	Very high	97.7	Very high	72 Å²	72	31.3 Å²	31.3	31%	0.313	15%	0.147	S	C	.	.	H	α-helix	trans	-62	-32.6	179.8	-70.9	-55.3	-172.8	177.5	0	113.4	C539 A549 I551 G584 D586	C539-K543 PolarHBondContact O-N 3.23Å; K543-A549 PolarHBondContact NZ-O 3.05Å; K543-I551 HydrophobicContact CD-CD1 4.27Å; K543-I551 HydrophobicContact CG-CD1 4.03Å; K543-G584 WeakPolarHBondContact CE-O 3.46Å; K543-D586 WeakPolarHBondContact CE-OD1 3.43Å; K543-D586 WeakPolarHBondContact CE-OD2 3.42Å; K543-D586 IonicContact NZ-OD1 3.04Å; K543-D586 PolarHBondContact NZ-OD1 3.11Å; K543-D586 IonicContact NZ-OD2 3.37Å; K543-D586 PolarHBondContact NZ-OD2 3.35Å
544	R	97.7	Very high	97.6	Very high	138 Å²	138	28.9 Å²	28.9	52%	0.521	14%	0.138	S	C	.	.	H	α-helix	trans	-75.3	-36.6	178.3	-174.5	-179.4	65.2	-112.1	-4.7	113	E540 D541 I542	E540-R544 VanDerWaalsContact O-CB 3.25Å; E540-R544 WeakPolarHBondContact O-CB 3.42Å; E540-R544 PolarHBondContact O-N 3.27Å; D541-R544 PolarHBondContact O-N 3.46Å; D541-R544 IonicContact OD1-CZ 3.73Å; D541-R544 VanDerWaalsContact OD1-CZ 3.28Å; D541-R544 IonicContact OD1-NH1 3.75Å; D541-R544 PolarHBondContact OD1-NH1 3.03Å; D541-R544 IonicContact OD1-NH2 3.66Å; D541-R544 PolarHBondContact OD1-NH2 3.34Å; I542-R544 PolarHBondContact O-N 3.11Å
545	E	98.1	Very high	97.5	Very high	72 Å²	72	27.8 Å²	27.8	34%	0.336	13%	0.133	S	C	.	.	H	α-helix	trans	-105.2	-26	-168.8	-64.9	-178.2	-152.1	0	0	114.4	R495 D541 I542 P547	R495-E545 IonicContact CZ-OE2 2.82Å; R495-E545 IonicContact NE-OE2 2.81Å; R495-E545 PolarHBondContact NE-OE2 3.3Å; R495-E545 IonicContact NH2-OE1 2.67Å; R495-E545 IonicContact NH2-OE2 2.81Å; R495-E545 PolarHBondContact NH2-OE2 3.25Å; D541-E545 WeakPolarHBondContact O-CB 3.4Å; D541-E545 WeakPolarHBondContact O-CG 3.23Å; D541-E545 PolarHBondContact O-N 3.02Å; I542-E545 PolarHBondContact O-N 3.22Å; E545-P547 WeakPolarHBondContact O-CD 3.16Å
546	L	98	Very high	97.1	Very high	5 Å²	5	28.8 Å²	28.8	3%	0.026	14%	0.14	C	C	.	.	S	Bend	trans	-121	83.1	-171.1	-49.6	-178.2	0	0	0	109.2	I491 C494 R495 Y498 F514 I542 A549	I491-L546 HydrophobicContact CD1-CD1 4.48Å; C494-L546 HydrophobicContact CB-CD1 3.82Å; R495-L546 HydrophobicContact CB-CD2 4.47Å; R495-L546 HydrophobicContact CG-CD2 4.4Å; Y498-L546 HydrophobicContact CD1-CD2 4.03Å; Y498-L546 HydrophobicContact CD2-CB 3.92Å; Y498-L546 HydrophobicContact CD2-CD2 4.36Å; Y498-L546 HydrophobicContact CD2-CG 4.49Å; Y498-L546 HydrophobicContact CE2-CB 4.11Å; Y498-L546 HydrophobicContact CG-CB 4.29Å; Y498-L546 HydrophobicContact CG-CD2 3.85Å; Y498-L546 HydrophobicContact CG-CG 4.43Å; F514-L546 HydrophobicContact CD2-CD1 4.16Å; F514-L546 HydrophobicContact CE2-CD1 3.56Å; F514-L546 HydrophobicContact CZ-CD1 4.08Å; I542-L546 HydrophobicContact CG1-CD1 4.37Å; I542-L546 HydrophobicContact CG2-CB 4.37Å; I542-L546 HydrophobicContact CG2-CD1 4.24Å; I542-L546 WeakPolarHBondContact O-CA 3.34Å; I542-L546 WeakPolarHBondContact O-CB 3.47Å; I542-L546 PolarHBondContact O-N 3.46Å; L546-A549 HydrophobicContact CB-CB 4.24Å; L546-A549 PolarHBondContact O-N 3Å
547	P	96.1	Very high	96.9	Very high	67 Å²	67	32.2 Å²	32.2	44%	0.435	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	145.7	-172.1	25.1	-33.4	0	0	0	112.1	Y498 E545 A549	Y498-P547 PolarHBondContact OH-O 2.89Å; E545-P547 WeakPolarHBondContact O-CD 3.16Å; P547-A549 PolarHBondContact O-N 3.41Å
548	H	96.9	Very high	96.8	Very high	97 Å²	97	32.2 Å²	32.2	45%	0.449	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.1	-14.7	-177.9	-48	-63.4	0	0	0	116.7	V331 P509 E510	V331-H548 HydrophobicContact CG1-CB 4.11Å; P509-H548 HydrophobicContact CB-CB 4.23Å; P509-H548 HydrophobicContact CG-CB 4.31Å; E510-H548 HydrophobicContact CB-CB 4.26Å
549	A	98.1	Very high	96.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.158	C	C	.	.			trans	-63.4	141.5	175.5	0	0	0	0	0	111.3	Y498 F514 K543 L546 P547	Y498-A549 HydrophobicContact CD2-CB 4.4Å; Y498-A549 HydrophobicContact CE2-CB 4.27Å; F514-A549 HydrophobicContact CD2-CB 3.91Å; F514-A549 HydrophobicContact CE2-CB 3.75Å; K543-A549 PolarHBondContact NZ-O 3.05Å; L546-A549 HydrophobicContact CB-CB 4.24Å; L546-A549 PolarHBondContact O-N 3Å; P547-A549 PolarHBondContact O-N 3.41Å
550	L	98.4	Very high	96.1	Very high	11 Å²	11	36.7 Å²	36.7	6%	0.058	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	167.3	176.2	-59.7	-176.9	0	0	0	111.1	C333 I343 I512 I513 F514 D586 M587	C333-L550 HydrophobicContact CB-CD1 3.54Å; I343-L550 HydrophobicContact CB-CD1 4.44Å; I343-L550 HydrophobicContact CD1-CD1 4.31Å; I343-L550 HydrophobicContact CG2-CD1 4.25Å; I343-L550 HydrophobicContact CG2-CD2 4.37Å; I512-L550 PolarHBondContact O-N 3.28Å; I513-L550 CarbonylContact C-O 3.56Å; I513-L550 WeakPolarHBondContact CA-O 3.34Å; I513-L550 HydrophobicContact CB-CB 4.39Å; I513-L550 HydrophobicContact CG1-CB 3.93Å; I513-L550 HydrophobicContact CG1-CD1 4.26Å; I513-L550 HydrophobicContact CG2-CB 4.39Å; F514-L550 PolarHBondContact N-O 3.44Å; L550-D586 WeakPolarHBondContact CA-OD2 3.21Å; L550-D586 HydrophobicContact CB-CB 4.41Å; L550-D586 HydrophobicContact CD2-CB 4.11Å; L550-M587 HydrophobicContact CD1-CE 3.84Å
551	I	98.6	Very high	95.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	129.5	-176.8	-50.3	-179.4	0	0	0	109.7	F514 P516 C539 I542 K543 M585 D586 M587	F514-I551 WeakPolarHBondContact O-CA 3.32Å; P516-I551 HydrophobicContact CG-CG2 4.24Å; C539-I551 HydrophobicContact CB-CD1 4.09Å; C539-I551 WeakPolarHBondContact O-CD1 3.24Å; I542-I551 HydrophobicContact CB-CD1 3.71Å; I542-I551 HydrophobicContact CB-CG1 4.38Å; I542-I551 HydrophobicContact CD1-CD1 4.22Å; I542-I551 HydrophobicContact CG2-CD1 3.63Å; I542-I551 HydrophobicContact CG2-CG1 3.81Å; K543-I551 HydrophobicContact CD-CD1 4.27Å; K543-I551 HydrophobicContact CG-CD1 4.03Å; I551-M585 HydrophobicContact CG2-CG 4.43Å; I551-D586 PolarHBondContact N-OD2 3.48Å; I551-D586 PolarHBondContact O-N 3.39Å; I551-M587 PolarHBondContact O-N 2.93Å; I551-M587 VanDerWaalsContact O-N 3.15Å
552	S	97.8	Very high	95.1	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.007	17%	0.172	C	C	.	.			trans	-131.6	176.2	176.8	-168	0	0	0	0	111.5	I513 F514 M587	I513-S552 VanDerWaalsContact CG2-CB 3.48Å; F514-S552 PolarHBondContact O-N 3.33Å; S552-M587 WeakPolarHBondContact CA-O 3.44Å; S552-M587 VanDerWaalsContact CB-CG 3.48Å; S552-M587 WeakPolarHBondContact OG-CG 3.38Å
553	G	95.4	Very high	94.3	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.202	C	C	.	.			trans	177.1	156.9	167.9	0	0	0	0	0	113	V555 I589	G553-V555 PolarHBondContact O-N 2.82Å; G553-V555 VanDerWaalsContact O-N 3.08Å; G553-I589 PolarHBondContact O-N 2.9Å
554	G	95.1	Very high	93.6	Very high	11 Å²	11	42.6 Å²	42.6	11%	0.113	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-69.1	93.1	170.7	0	0	0	0	0	112.5	S556 N557	G554-S556 VanDerWaalsContact C-N 3.26Å; G554-S556 PolarHBondContact O-N 3.27Å; G554-N557 VanDerWaalsContact O-CB 3.29Å; G554-N557 WeakPolarHBondContact O-CB 3.21Å; G554-N557 PolarHBondContact O-N 3.4Å; G554-N557 VanDerWaalsContact O-N 3.09Å; G554-N557 PolarHBondContact O-ND2 3.14Å
555	V	94.7	Very high	93	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.006	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-62.5	-36.4	-173.9	-179.7	0	0	0	0	111.1	I518 G553 N557 V558 H573 F576 L577 M585 I589 V590	I518-V555 HydrophobicContact CD1-CG2 4.48Å; G553-V555 PolarHBondContact O-N 2.82Å; G553-V555 VanDerWaalsContact O-N 3.08Å; V555-N557 PolarHBondContact O-N 3.33Å; V555-V558 VanDerWaalsContact O-CG1 3.25Å; V555-V558 WeakPolarHBondContact O-CG1 3.28Å; V555-V558 PolarHBondContact O-N 3.15Å; V555-V558 VanDerWaalsContact O-N 3.1Å; V555-H573 HydrophobicContact CG1-CB 4.14Å; V555-F576 HydrophobicContact CG1-CD1 4.22Å; V555-L577 HydrophobicContact CG1-CD1 4.32Å; V555-L577 HydrophobicContact CG1-CD2 4.38Å; V555-L577 HydrophobicContact CG1-CG 4.17Å; V555-L577 HydrophobicContact CG2-CD2 3.85Å; V555-L577 HydrophobicContact CG2-CG 4.49Å; V555-M585 HydrophobicContact CG2-CE 4.22Å; V555-I589 PolarHBondContact N-O 3.26Å; V555-V590 HydrophobicContact CB-CG1 3.75Å; V555-V590 HydrophobicContact CG1-CG1 4.27Å; V555-V590 HydrophobicContact CG2-CG1 3.52Å
556	S	91.8	Very high	92.4	Very high	22 Å²	22	35.1 Å²	35.1	15%	0.154	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-54	-26.3	176.8	-85.2	0	0	0	0	114.2	E354 G554 V558 S559	E354-S556 PolarHBondContact OE1-OG 3.03Å; E354-S556 WeakPolarHBondContact OE2-CB 3.42Å; E354-S556 PolarHBondContact OE2-OG 3.25Å; G554-S556 VanDerWaalsContact C-N 3.26Å; G554-S556 PolarHBondContact O-N 3.27Å; S556-V558 VanDerWaalsContact C-N 3.34Å; S556-V558 PolarHBondContact O-N 3.21Å; S556-S559 PolarHBondContact O-N 3.2Å; S556-S559 PolarHBondContact O-OG 3.39Å
557	N	93.4	Very high	91.9	Very high	76 Å²	76	36.8 Å²	36.8	41%	0.406	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-64.7	-33.4	179.6	-67.6	-29.4	0	0	0	113.2	I518 A520 G554 V555 S559 F560	I518-N557 HydrophobicContact CB-CB 4.33Å; I518-N557 HydrophobicContact CG2-CB 4.05Å; I518-N557 VanDerWaalsContact O-CB 3.31Å; I518-N557 WeakPolarHBondContact O-CB 3.49Å; A520-N557 VanDerWaalsContact CA-O 3.25Å; A520-N557 WeakPolarHBondContact CA-O 3.46Å; A520-N557 WeakPolarHBondContact CB-O 3.25Å; A520-N557 PolarHBondContact N-O 3.26Å; G554-N557 VanDerWaalsContact O-CB 3.29Å; G554-N557 WeakPolarHBondContact O-CB 3.21Å; G554-N557 PolarHBondContact O-N 3.4Å; G554-N557 VanDerWaalsContact O-N 3.09Å; G554-N557 PolarHBondContact O-ND2 3.14Å; V555-N557 PolarHBondContact O-N 3.33Å; N557-S559 PolarHBondContact O-N 2.97Å; N557-F560 WeakPolarHBondContact O-CB 3.13Å; N557-F560 PolarHBondContact O-N 2.82Å
558	V	95	Very high	91.7	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.006	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-63.1	-33.4	-179.4	79.3	0	0	0	0	111.5	I518 V521 A532 V555 S556 I572 F576 I613	I518-V558 HydrophobicContact CG2-CB 3.74Å; I518-V558 HydrophobicContact CG2-CG2 4.48Å; V521-V558 HydrophobicContact CG1-CG2 4.3Å; V521-V558 HydrophobicContact CG2-CG2 3.99Å; V521-V558 WeakPolarHBondContact CG2-O 3.39Å; V521-V558 PolarHBondContact N-O 3.04Å; A532-V558 HydrophobicContact CB-CG2 4.26Å; V555-V558 VanDerWaalsContact O-CG1 3.25Å; V555-V558 WeakPolarHBondContact O-CG1 3.28Å; V555-V558 PolarHBondContact O-N 3.15Å; V555-V558 VanDerWaalsContact O-N 3.1Å; S556-V558 VanDerWaalsContact C-N 3.34Å; S556-V558 PolarHBondContact O-N 3.21Å; V558-I572 HydrophobicContact CG1-CG2 3.71Å; V558-I572 HydrophobicContact CG2-CG2 4.39Å; V558-F576 HydrophobicContact CG1-CB 4.29Å; V558-F576 HydrophobicContact CG1-CD1 4.47Å; V558-F576 HydrophobicContact CG1-CG 4.25Å; V558-F576 HydrophobicContact CG2-CD2 4.01Å; V558-F576 HydrophobicContact CG2-CE2 4.44Å; V558-F576 HydrophobicContact CG2-CG 4.31Å; V558-I613 HydrophobicContact CG2-CD1 3.89Å
559	S	92.9	Very high	91.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-93.3	5.5	-175.4	73.7	0	0	0	0	114.7	S556 N557 S561 F562 R569 H573	S556-S559 PolarHBondContact O-N 3.2Å; S556-S559 PolarHBondContact O-OG 3.39Å; N557-S559 PolarHBondContact O-N 2.97Å; S559-S561 PolarHBondContact O-N 3.09Å; S559-S561 VanDerWaalsContact O-N 3.12Å; S559-F562 PolarHBondContact O-N 3.24Å; S559-R569 PolarHBondContact OG-NE 3.03Å; S559-H573 VanDerWaalsContact CB-NE2 3.26Å; S559-H573 WeakPolarHBondContact CB-NE2 3.27Å; S559-H573 PolarHBondContact OG-NE2 3.47Å
560	F	89	Confident	91	Very high	94 Å²	94	33.5 Å²	33.5	41%	0.412	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-56.4	-35.6	-167.2	-171.9	-82	0	0	0	113.6	A520 N557 F562 R563	A520-F560 HydrophobicContact CB-CB 3.87Å; N557-F560 WeakPolarHBondContact O-CB 3.13Å; N557-F560 PolarHBondContact O-N 2.82Å; F560-F562 PolarHBondContact O-N 3.36Å; F560-F562 VanDerWaalsContact O-N 3.15Å; F560-R563 VanDerWaalsContact CZ-CZ 3.46Å; F560-R563 WeakPolarHBondContact O-CG 3.22Å; F560-R563 PolarHBondContact O-N 3.3Å
561	S	87	Confident	90.7	Very high	46 Å²	46	33 Å²	33	32%	0.322	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-61.9	-18.2	178.3	-49	0	0	0	0	114.1	V521 T523 S559	V521-S561 WeakPolarHBondContact O-CB 3.29Å; V521-S561 PolarHBondContact O-OG 2.63Å; T523-S561 VanDerWaalsContact CG2-OG 3.31Å; T523-S561 WeakPolarHBondContact CG2-OG 3.29Å; S559-S561 PolarHBondContact O-N 3.09Å; S559-S561 VanDerWaalsContact O-N 3.12Å
562	F	89	Confident	90.5	Very high	11 Å²	11	33 Å²	33	5%	0.048	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-110.2	22.2	-176.6	-63.8	-85.8	0	0	0	113.5	A522 S559 F560 G564 N565 V568 R569 I572 L624 L625 A628	A522-F562 HydrophobicContact CB-CE2 3.64Å; A522-F562 HydrophobicContact CB-CZ 3.83Å; S559-F562 PolarHBondContact O-N 3.24Å; F560-F562 PolarHBondContact O-N 3.36Å; F560-F562 VanDerWaalsContact O-N 3.15Å; F562-G564 PolarHBondContact O-N 3.28Å; F562-N565 PolarHBondContact O-N 2.76Å; F562-V568 HydrophobicContact CB-CG1 4.39Å; F562-V568 HydrophobicContact CD1-CG1 3.76Å; F562-V568 HydrophobicContact CE1-CG1 4.12Å; F562-V568 HydrophobicContact CG-CG1 3.99Å; F562-R569 HydrophobicContact CB-CG 3.91Å; F562-R569 WeakPolarHBondContact O-CD 3.34Å; F562-R569 WeakPolarHBondContact O-CG 3.42Å; F562-I572 HydrophobicContact CB-CD1 4.5Å; F562-I572 HydrophobicContact CD2-CD1 3.27Å; F562-I572 HydrophobicContact CE2-CD1 3.53Å; F562-I572 HydrophobicContact CG-CD1 4Å; F562-I572 HydrophobicContact CZ-CD1 4.46Å; F562-L624 HydrophobicContact CE1-CD2 4.34Å; F562-L624 HydrophobicContact CE1-CG 4.09Å; F562-L624 HydrophobicContact CE2-CD2 3.78Å; F562-L624 HydrophobicContact CE2-CG 4.41Å; F562-L624 HydrophobicContact CZ-CB 4.4Å; F562-L624 HydrophobicContact CZ-CD2 3.49Å; F562-L624 VanDerWaalsContact CZ-CD2 3.49Å; F562-L624 HydrophobicContact CZ-CG 3.64Å; F562-L625 HydrophobicContact CE1-CD2 3.81Å; F562-L625 HydrophobicContact CZ-CD2 4.16Å; F562-A628 HydrophobicContact CD1-CB 4.19Å; F562-A628 HydrophobicContact CE1-CB 3.99Å
563	R	80.9	Confident	90.3	Very high	168 Å²	168	33.9 Å²	33.9	63%	0.634	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.2	129.8	174.1	-84.2	174.7	172.8	-164	-5.6	111.7	F560	F560-R563 VanDerWaalsContact CZ-CZ 3.46Å; F560-R563 WeakPolarHBondContact O-CG 3.22Å; F560-R563 PolarHBondContact O-N 3.3Å
564	G	80.9	Confident	90	Very high	73 Å²	73	34.2 Å²	34.2	75%	0.753	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.6	0.3	-176.8	0	0	0	0	0	115.1	F562	F562-G564 PolarHBondContact O-N 3.28Å
565	N	86.7	Confident	90	Very high	11 Å²	11	33.7 Å²	33.7	6%	0.059	18%	0.183	C	C	.	.			trans	-120.7	75.4	172.2	-166.7	-18.6	0	0	0	110.2	F562 V568 R569 A628	F562-N565 PolarHBondContact O-N 2.76Å; N565-V568 HydrophobicContact CB-CB 4.43Å; N565-V568 PolarHBondContact O-N 2.92Å; N565-V568 WeakPolarHBondContact OD1-CG2 3.39Å; N565-R569 WeakPolarHBondContact O-CG 3.42Å; N565-R569 PolarHBondContact O-N 3.43Å; N565-A628 PolarHBondContact ND2-O 2.83Å
566	D	84.9	Confident	90	Very high	42 Å²	42	33.7 Å²	33.7	23%	0.225	18%	0.183	C	C	.	.	H	α-helix	trans	-58.8	-43	-171.8	-65.9	-29.2	0	0	0	113.8	V568 R569 E570	D566-V568 VanDerWaalsContact C-N 3.28Å; D566-V568 PolarHBondContact O-N 3.38Å; D566-R569 PolarHBondContact O-N 3.22Å; D566-R569 IonicContact OD1-NH1 2.66Å; D566-R569 PolarHBondContact OD1-NH1 3.43Å; D566-E570 WeakPolarHBondContact O-CB 3.36Å; D566-E570 VanDerWaalsContact O-CG 3.3Å; D566-E570 WeakPolarHBondContact O-CG 3.3Å; D566-E570 PolarHBondContact O-N 2.96Å
567	P	87.5	Confident	90.2	Very high	40 Å²	40	33.1 Å²	33.1	26%	0.26	18%	0.178	S	C	.	.	H	α-helix	trans	-57.5	-39.1	176.9	-24.9	33.1	0	0	0	113.7	A571 Y631 S634	P567-A571 WeakPolarHBondContact O-CB 3.42Å; P567-A571 PolarHBondContact O-N 3.06Å; P567-A571 VanDerWaalsContact O-N 3.16Å; P567-Y631 HydrophobicContact CB-CD1 4.27Å; P567-S634 WeakPolarHBondContact CG-OG 3.33Å
568	V	91.3	Very high	90.1	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-72.6	-39.4	177.2	176.5	0	0	0	0	110.7	F562 N565 D566 A571 I572 L605 L624 A628 Y631	F562-V568 HydrophobicContact CB-CG1 4.39Å; F562-V568 HydrophobicContact CD1-CG1 3.76Å; F562-V568 HydrophobicContact CE1-CG1 4.12Å; F562-V568 HydrophobicContact CG-CG1 3.99Å; N565-V568 HydrophobicContact CB-CB 4.43Å; N565-V568 PolarHBondContact O-N 2.92Å; N565-V568 WeakPolarHBondContact OD1-CG2 3.39Å; D566-V568 VanDerWaalsContact C-N 3.28Å; D566-V568 PolarHBondContact O-N 3.38Å; V568-A571 PolarHBondContact O-N 3.11Å; V568-I572 HydrophobicContact CG1-CD1 3.95Å; V568-I572 HydrophobicContact CG1-CG1 4.42Å; V568-I572 VanDerWaalsContact O-CG1 3.23Å; V568-I572 WeakPolarHBondContact O-CG1 3.31Å; V568-I572 PolarHBondContact O-N 3.25Å; V568-L605 HydrophobicContact CG2-CD1 4.38Å; V568-L624 HydrophobicContact CG1-CD1 4.3Å; V568-A628 HydrophobicContact CG1-CB 4.42Å; V568-A628 HydrophobicContact CG2-CB 3.94Å; V568-Y631 HydrophobicContact CG2-CD2 4.38Å; V568-Y631 HydrophobicContact CG2-CG 4.31Å
569	R	91.2	Very high	90.2	Very high	45 Å²	45	34.5 Å²	34.5	17%	0.17	18%	0.178	C	C	.	.	H	α-helix	trans	-62.4	-46.2	177	-69	178.3	67.2	-143.3	-4.3	111.8	S559 F562 N565 D566 A571 I572 H573	S559-R569 PolarHBondContact OG-NE 3.03Å; F562-R569 HydrophobicContact CB-CG 3.91Å; F562-R569 WeakPolarHBondContact O-CD 3.34Å; F562-R569 WeakPolarHBondContact O-CG 3.42Å; N565-R569 WeakPolarHBondContact O-CG 3.42Å; N565-R569 PolarHBondContact O-N 3.43Å; D566-R569 PolarHBondContact O-N 3.22Å; D566-R569 IonicContact OD1-NH1 2.66Å; D566-R569 PolarHBondContact OD1-NH1 3.43Å; R569-A571 VanDerWaalsContact C-N 3.31Å; R569-A571 PolarHBondContact O-N 3.4Å; R569-I572 WeakPolarHBondContact O-CB 3.37Å; R569-I572 PolarHBondContact O-N 3.4Å; R569-I572 VanDerWaalsContact O-N 3.16Å; R569-H573 PolarHBondContact O-CD2 3.4Å; R569-H573 VanDerWaalsContact O-CD2 3.3Å; R569-H573 PolarHBondContact O-N 2.92Å
570	E	89.4	Confident	90.4	Very high	51 Å²	51	34.5 Å²	34.5	24%	0.238	18%	0.178	C	C	.	.	H	α-helix	trans	-60.9	-41.2	177.7	-69.2	174	-173.1	0	0	111.1	D566 H573 A574 Q594 A596	D566-E570 WeakPolarHBondContact O-CB 3.36Å; D566-E570 VanDerWaalsContact O-CG 3.3Å; D566-E570 WeakPolarHBondContact O-CG 3.3Å; D566-E570 PolarHBondContact O-N 2.96Å; E570-H573 PolarHBondContact O-N 3.32Å; E570-A574 WeakPolarHBondContact O-CB 3.3Å; E570-A574 PolarHBondContact O-N 3.2Å; E570-Q594 WeakPolarHBondContact CG-O 3.25Å; E570-A596 HydrophobicContact CB-CB 4.07Å
571	A	91.7	Very high	90.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62.4	-43.3	173.5	0	0	0	0	0	112.5	P567 V568 R569 A574 V575 L601 L605 V609	P567-A571 WeakPolarHBondContact O-CB 3.42Å; P567-A571 PolarHBondContact O-N 3.06Å; P567-A571 VanDerWaalsContact O-N 3.16Å; V568-A571 PolarHBondContact O-N 3.11Å; R569-A571 VanDerWaalsContact C-N 3.31Å; R569-A571 PolarHBondContact O-N 3.4Å; A571-A574 PolarHBondContact O-N 3.44Å; A571-V575 WeakPolarHBondContact O-CG2 3.42Å; A571-V575 PolarHBondContact O-N 3.07Å; A571-L601 HydrophobicContact CB-CD1 4.19Å; A571-L601 HydrophobicContact CB-CD2 3.8Å; A571-L605 HydrophobicContact CB-CD1 4.5Å; A571-L605 HydrophobicContact CB-CD2 3.71Å; A571-L605 HydrophobicContact CB-CG 3.91Å; A571-V609 HydrophobicContact CB-CG2 4.1Å
572	I	94.6	Very high	90.9	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-61	-44.8	175.1	-64.8	167.1	0	0	0	110.7	V558 F562 V568 R569 F576 V609 I613 L624	V558-I572 HydrophobicContact CG1-CG2 3.71Å; V558-I572 HydrophobicContact CG2-CG2 4.39Å; F562-I572 HydrophobicContact CB-CD1 4.5Å; F562-I572 HydrophobicContact CD2-CD1 3.27Å; F562-I572 HydrophobicContact CE2-CD1 3.53Å; F562-I572 HydrophobicContact CG-CD1 4Å; F562-I572 HydrophobicContact CZ-CD1 4.46Å; V568-I572 HydrophobicContact CG1-CD1 3.95Å; V568-I572 HydrophobicContact CG1-CG1 4.42Å; V568-I572 VanDerWaalsContact O-CG1 3.23Å; V568-I572 WeakPolarHBondContact O-CG1 3.31Å; V568-I572 PolarHBondContact O-N 3.25Å; R569-I572 WeakPolarHBondContact O-CB 3.37Å; R569-I572 PolarHBondContact O-N 3.4Å; R569-I572 VanDerWaalsContact O-N 3.16Å; I572-F576 WeakPolarHBondContact O-CB 3.28Å; I572-F576 PolarHBondContact O-N 2.9Å; I572-V609 HydrophobicContact CB-CG1 4.31Å; I572-V609 HydrophobicContact CG1-CG1 3.98Å; I572-V609 HydrophobicContact CG1-CG2 4.04Å; I572-I613 HydrophobicContact CG2-CD1 3.94Å; I572-L624 HydrophobicContact CD1-CD2 4.25Å; I572-L624 HydrophobicContact CG1-CD2 4.47Å
573	H	93.2	Very high	91.2	Very high	18 Å²	18	40.7 Å²	40.7	8%	0.083	20%	0.2	C	C	.	.	H	α-helix	trans	-61	-48.9	177.9	-61.9	166.8	0	0	0	111.8	V555 S559 R569 E570 V575 F576 L577	V555-H573 HydrophobicContact CG1-CB 4.14Å; S559-H573 VanDerWaalsContact CB-NE2 3.26Å; S559-H573 WeakPolarHBondContact CB-NE2 3.27Å; S559-H573 PolarHBondContact OG-NE2 3.47Å; R569-H573 PolarHBondContact O-CD2 3.4Å; R569-H573 VanDerWaalsContact O-CD2 3.3Å; R569-H573 PolarHBondContact O-N 2.92Å; E570-H573 PolarHBondContact O-N 3.32Å; H573-V575 PolarHBondContact O-N 2.78Å; H573-F576 PolarHBondContact O-N 2.83Å; H573-L577 WeakPolarHBondContact O-CB 3.38Å; H573-L577 WeakPolarHBondContact O-CG 3.31Å; H573-L577 PolarHBondContact O-N 3.43Å
574	A	89.9	Confident	91.9	Very high	8 Å²	8	33.6 Å²	33.6	7%	0.066	18%	0.179	C	C	.	.	H	α-helix	trans	-61	-45.6	-178.6	0	0	0	0	0	112.3	E570 A571 Y578 A596 L601	E570-A574 WeakPolarHBondContact O-CB 3.3Å; E570-A574 PolarHBondContact O-N 3.2Å; A571-A574 PolarHBondContact O-N 3.44Å; A574-Y578 VanDerWaalsContact O-CB 3.29Å; A574-Y578 WeakPolarHBondContact O-CB 3.2Å; A574-Y578 PolarHBondContact O-N 3.03Å; A574-A596 HydrophobicContact CB-CB 4.17Å; A574-A596 VanDerWaalsContact CB-O 3.23Å; A574-A596 WeakPolarHBondContact CB-O 3.09Å; A574-L601 HydrophobicContact CB-CD1 4.06Å
575	V	94	Very high	92.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-67.8	-44.5	177.2	175.2	0	0	0	0	111.4	A571 H573 Y578 Y579 Y598 L601 R606 V609 E610 I613	A571-V575 WeakPolarHBondContact O-CG2 3.42Å; A571-V575 PolarHBondContact O-N 3.07Å; H573-V575 PolarHBondContact O-N 2.78Å; V575-Y578 WeakPolarHBondContact O-CB 3.5Å; V575-Y578 PolarHBondContact O-N 3.27Å; V575-Y579 HydrophobicContact CG1-CD2 4.07Å; V575-Y579 HydrophobicContact CG1-CE2 3.95Å; V575-Y579 VanDerWaalsContact O-CD2 3.27Å; V575-Y579 WeakPolarHBondContact O-CD2 3.4Å; V575-Y579 PolarHBondContact O-N 2.99Å; V575-Y598 HydrophobicContact CG2-CD2 4.04Å; V575-Y598 HydrophobicContact CG2-CE2 4.08Å; V575-L601 HydrophobicContact CG2-CD1 3.81Å; V575-R606 HydrophobicContact CG2-CG 4.25Å; V575-V609 HydrophobicContact CB-CG1 3.59Å; V575-V609 HydrophobicContact CG1-CG1 3.97Å; V575-V609 HydrophobicContact CG2-CB 4.18Å; V575-V609 HydrophobicContact CG2-CG1 3.63Å; V575-E610 HydrophobicContact CG1-CB 4.41Å; V575-E610 HydrophobicContact CG1-CG 3.68Å; V575-I613 HydrophobicContact CG1-CB 4.16Å; V575-I613 HydrophobicContact CG1-CG1 4.08Å; V575-I613 HydrophobicContact CG1-CG2 4.29Å
576	F	96.7	Very high	93.2	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-58.9	-51	177.4	173.9	-100.2	0	0	0	111.7	I518 A532 F535 I536 V555 V558 I572 H573 Y578 Y579 A580 M585 I613	I518-F576 HydrophobicContact CD1-CE1 3.66Å; I518-F576 HydrophobicContact CD1-CZ 3.74Å; I518-F576 HydrophobicContact CG1-CE1 4.43Å; I518-F576 HydrophobicContact CG1-CZ 4.01Å; I518-F576 HydrophobicContact CG2-CZ 4.3Å; A532-F576 HydrophobicContact CB-CD2 4.18Å; A532-F576 HydrophobicContact CB-CE2 4.34Å; F535-F576 AromaticContact CD1-CE2 3.94Å; F535-F576 HydrophobicContact CD1-CE2 3.94Å; F535-F576 AromaticContact CD1-CZ 3.45Å; F535-F576 HydrophobicContact CD1-CZ 3.45Å; F535-F576 VanDerWaalsContact CD1-CZ 3.45Å; F535-F576 HydrophobicContact CE1-CE1 4.39Å; F535-F576 AromaticContact CE1-CZ 3.69Å; F535-F576 HydrophobicContact CE1-CZ 3.69Å; F535-F576 HydrophobicContact CG-CE2 4.42Å; F535-F576 HydrophobicContact CG-CZ 4.08Å; F535-F576 HydrophobicContact CZ-CZ 4.47Å; I536-F576 HydrophobicContact CD1-CD2 4.27Å; I536-F576 HydrophobicContact CD1-CE2 4.44Å; I536-F576 HydrophobicContact CG1-CD2 4.5Å; I536-F576 HydrophobicContact CG1-CE2 4.22Å; V555-F576 HydrophobicContact CG1-CD1 4.22Å; V558-F576 HydrophobicContact CG1-CB 4.29Å; V558-F576 HydrophobicContact CG1-CD1 4.47Å; V558-F576 HydrophobicContact CG1-CG 4.25Å; V558-F576 HydrophobicContact CG2-CD2 4.01Å; V558-F576 HydrophobicContact CG2-CE2 4.44Å; V558-F576 HydrophobicContact CG2-CG 4.31Å; I572-F576 WeakPolarHBondContact O-CB 3.28Å; I572-F576 PolarHBondContact O-N 2.9Å; H573-F576 PolarHBondContact O-N 2.83Å; F576-Y578 VanDerWaalsContact C-N 3.33Å; F576-Y578 PolarHBondContact O-N 2.83Å; F576-Y579 PolarHBondContact O-N 3.27Å; F576-A580 HydrophobicContact CE1-CB 4.28Å; F576-A580 HydrophobicContact CZ-CB 4.33Å; F576-A580 WeakPolarHBondContact O-CB 3.47Å; F576-A580 PolarHBondContact O-N 3.09Å; F576-M585 HydrophobicContact CE1-SD 4.35Å; F576-I613 HydrophobicContact CB-CD1 3.97Å; F576-I613 HydrophobicContact CD2-CD1 4.31Å
577	L	94.4	Very high	93.7	Very high	11 Å²	11	29.5 Å²	29.5	6%	0.058	14%	0.14	C	C	.	.	H	α-helix	trans	-61.7	-40.4	179.1	-74.9	175.4	0	0	0	111.8	F349 V555 H573 Y579 A580 I581 M585 V590 L595	F349-L577 HydrophobicContact CE1-CD1 4.49Å; F349-L577 HydrophobicContact CE1-CD2 4.18Å; F349-L577 HydrophobicContact CE2-CD2 4Å; F349-L577 HydrophobicContact CZ-CD2 3.51Å; V555-L577 HydrophobicContact CG1-CD1 4.32Å; V555-L577 HydrophobicContact CG1-CD2 4.38Å; V555-L577 HydrophobicContact CG1-CG 4.17Å; V555-L577 HydrophobicContact CG2-CD2 3.85Å; V555-L577 HydrophobicContact CG2-CG 4.49Å; H573-L577 WeakPolarHBondContact O-CB 3.38Å; H573-L577 WeakPolarHBondContact O-CG 3.31Å; H573-L577 PolarHBondContact O-N 3.43Å; L577-Y579 VanDerWaalsContact C-N 3.3Å; L577-Y579 PolarHBondContact O-N 3.02Å; L577-A580 PolarHBondContact O-N 3.46Å; L577-I581 HydrophobicContact CB-CD1 4.11Å; L577-I581 VanDerWaalsContact O-CB 3.23Å; L577-I581 WeakPolarHBondContact O-CB 3.35Å; L577-I581 WeakPolarHBondContact O-CD1 3.36Å; L577-I581 WeakPolarHBondContact O-CG1 3.35Å; L577-I581 PolarHBondContact O-N 2.97Å; L577-M585 HydrophobicContact CD2-CE 4.46Å; L577-M585 HydrophobicContact CD2-SD 4.27Å; L577-V590 HydrophobicContact CD1-CG1 4.34Å; L577-L595 HydrophobicContact CD1-CD2 3.68Å
578	Y	92.1	Very high	94.1	Very high	61 Å²	61	27.6 Å²	27.6	24%	0.239	13%	0.127	C	C	.	.	H	α-helix	trans	-54.1	-45.1	177	177.5	-96.4	0	0	0	112.8	A574 V575 F576 R582 Y598	A574-Y578 VanDerWaalsContact O-CB 3.29Å; A574-Y578 WeakPolarHBondContact O-CB 3.2Å; A574-Y578 PolarHBondContact O-N 3.03Å; V575-Y578 WeakPolarHBondContact O-CB 3.5Å; V575-Y578 PolarHBondContact O-N 3.27Å; F576-Y578 VanDerWaalsContact C-N 3.33Å; F576-Y578 PolarHBondContact O-N 2.83Å; Y578-R582 VanDerWaalsContact CZ-NH2 3.3Å; Y578-R582 VanDerWaalsContact O-CG 3.29Å; Y578-R582 WeakPolarHBondContact O-CG 3.43Å; Y578-R582 PolarHBondContact O-N 3.21Å; Y578-R582 PolarHBondContact OH-NH1 2.84Å; Y578-R582 PolarHBondContact OH-NH2 3.09Å; Y578-Y598 HydrophobicContact CD1-CD2 4.1Å; Y578-Y598 AromaticContact CD1-CE2 3.82Å; Y578-Y598 HydrophobicContact CD1-CE2 3.82Å; Y578-Y598 AromaticContact CD2-CD1 3.86Å; Y578-Y598 HydrophobicContact CD2-CD1 3.86Å; Y578-Y598 AromaticContact CD2-CD2 4Å; Y578-Y598 HydrophobicContact CD2-CD2 4Å; Y578-Y598 HydrophobicContact CD2-CE1 4.26Å; Y578-Y598 HydrophobicContact CD2-CE2 4.4Å; Y578-Y598 AromaticContact CD2-CG 3.72Å; Y578-Y598 HydrophobicContact CD2-CG 3.72Å; Y578-Y598 HydrophobicContact CE1-CE1 4.15Å; Y578-Y598 HydrophobicContact CE1-CE2 4.1Å; Y578-Y598 AromaticContact CE1-CZ 3.83Å; Y578-Y598 AromaticContact CE2-CD1 3.71Å; Y578-Y598 HydrophobicContact CE2-CD1 3.71Å; Y578-Y598 AromaticContact CE2-CE1 3.84Å; Y578-Y598 HydrophobicContact CE2-CE1 3.84Å; Y578-Y598 HydrophobicContact CE2-CG 4.08Å; Y578-Y598 HydrophobicContact CG-CD1 4.36Å; Y578-Y598 AromaticContact CG-CD2 3.72Å; Y578-Y598 HydrophobicContact CG-CD2 3.72Å; Y578-Y598 AromaticContact CG-CE2 3.95Å; Y578-Y598 HydrophobicContact CG-CE2 3.95Å; Y578-Y598 AromaticContact CG-CG 3.95Å; Y578-Y598 HydrophobicContact CG-CG 3.95Å; Y578-Y598 AromaticContact CZ-CE1 3.73Å; Y578-Y598 AromaticContact CZ-CZ 3.91Å
579	Y	96.1	Very high	94.4	Very high	44 Å²	44	28.5 Å²	28.5	17%	0.173	13%	0.132	C	C	.	.	H	α-helix	trans	-80.4	-39.1	178.3	-72.1	-74.2	0	0	0	113.2	V575 F576 L577 R582 N583 E610 I613 L614	V575-Y579 HydrophobicContact CG1-CD2 4.07Å; V575-Y579 HydrophobicContact CG1-CE2 3.95Å; V575-Y579 VanDerWaalsContact O-CD2 3.27Å; V575-Y579 WeakPolarHBondContact O-CD2 3.4Å; V575-Y579 PolarHBondContact O-N 2.99Å; F576-Y579 PolarHBondContact O-N 3.27Å; L577-Y579 VanDerWaalsContact C-N 3.3Å; L577-Y579 PolarHBondContact O-N 3.02Å; Y579-R582 PolarHBondContact O-N 3.25Å; Y579-N583 PolarHBondContact O-N 3.14Å; Y579-N583 VanDerWaalsContact O-N 3.1Å; Y579-E610 HydrophobicContact CE2-CG 4.13Å; Y579-E610 PolarHBondContact OH-OE1 3.27Å; Y579-I613 HydrophobicContact CD2-CG2 4.49Å; Y579-L614 HydrophobicContact CD1-CD2 3.98Å; Y579-L614 HydrophobicContact CD2-CD2 3.92Å; Y579-L614 HydrophobicContact CD2-CG 4.35Å; Y579-L614 HydrophobicContact CE1-CD1 4.05Å; Y579-L614 HydrophobicContact CE1-CD2 4.15Å; Y579-L614 HydrophobicContact CE2-CD1 3.91Å; Y579-L614 HydrophobicContact CE2-CD2 4.11Å; Y579-L614 HydrophobicContact CE2-CG 4.13Å; Y579-L614 HydrophobicContact CG-CD2 3.87Å
580	A	97.2	Very high	94.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-64.4	-43.6	179.7	0	0	0	0	0	111.9	F535 I536 F576 L577 R582 N583 G584 M585	F535-A580 HydrophobicContact CE1-CB 4.47Å; I536-A580 HydrophobicContact CG1-CB 4.22Å; F576-A580 HydrophobicContact CE1-CB 4.28Å; F576-A580 HydrophobicContact CZ-CB 4.33Å; F576-A580 WeakPolarHBondContact O-CB 3.47Å; F576-A580 PolarHBondContact O-N 3.09Å; L577-A580 PolarHBondContact O-N 3.46Å; A580-R582 PolarHBondContact O-N 3.03Å; A580-N583 CarbonylContact O-C 2.95Å; A580-N583 PolarHBondContact O-N 3.49Å; A580-N583 VanDerWaalsContact O-N 3.14Å; A580-G584 PolarHBondContact O-N 3.14Å; A580-G584 VanDerWaalsContact O-N 3.11Å; A580-M585 HydrophobicContact CB-CB 3.97Å; A580-M585 HydrophobicContact CB-CG 4.49Å; A580-M585 HydrophobicContact CB-SD 3.64Å; A580-M585 WeakPolarHBondContact O-CB 3.35Å; A580-M585 PolarHBondContact O-N 3.16Å
581	I	93.2	Very high	94.4	Very high	68 Å²	68	25.1 Å²	25.1	35%	0.349	12%	0.119	S	C	.	.	H	α-helix	trans	-62.4	-44	176.6	-66.5	167.1	0	0	0	110.4	F349 L577 N583 G584	F349-I581 HydrophobicContact CB-CD1 3.83Å; F349-I581 HydrophobicContact CB-CG1 4.31Å; F349-I581 HydrophobicContact CD1-CD1 4.2Å; F349-I581 HydrophobicContact CD2-CD1 3.62Å; F349-I581 HydrophobicContact CD2-CG1 3.49Å; F349-I581 VanDerWaalsContact CD2-CG1 3.49Å; F349-I581 HydrophobicContact CE2-CD1 4.14Å; F349-I581 HydrophobicContact CE2-CG1 3.93Å; F349-I581 HydrophobicContact CG-CD1 3.62Å; F349-I581 HydrophobicContact CG-CG1 4.02Å; L577-I581 HydrophobicContact CB-CD1 4.11Å; L577-I581 VanDerWaalsContact O-CB 3.23Å; L577-I581 WeakPolarHBondContact O-CB 3.35Å; L577-I581 WeakPolarHBondContact O-CD1 3.36Å; L577-I581 WeakPolarHBondContact O-CG1 3.35Å; L577-I581 PolarHBondContact O-N 2.97Å; I581-N583 PolarHBondContact O-N 3.35Å; I581-G584 PolarHBondContact O-N 3.19Å
582	R	93.2	Very high	93.5	Very high	162 Å²	162	25.8 Å²	25.8	61%	0.611	12%	0.124	S	C	*	.	H	α-helix	trans	-60.1	-29.6	175.8	-81.1	179.9	166.7	-173.2	0.4	113.5	Y578 Y579 A580 G584	Y578-R582 VanDerWaalsContact CZ-NH2 3.3Å; Y578-R582 VanDerWaalsContact O-CG 3.29Å; Y578-R582 WeakPolarHBondContact O-CG 3.43Å; Y578-R582 PolarHBondContact O-N 3.21Å; Y578-R582 PolarHBondContact OH-NH1 2.84Å; Y578-R582 PolarHBondContact OH-NH2 3.09Å; Y579-R582 PolarHBondContact O-N 3.25Å; A580-R582 PolarHBondContact O-N 3.03Å; R582-G584 VanDerWaalsContact C-N 3.35Å
583	N	96.5	Very high	92.4	Very high	52 Å²	52	27.9 Å²	27.9	28%	0.278	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	6.5	175.7	-77.5	17.1	0	0	0	113.4	I536 C539 E540 Y579 A580 I581	I536-N583 HydrophobicContact CG2-CB 4.21Å; I536-N583 WeakPolarHBondContact CG2-ND2 3.48Å; I536-N583 WeakPolarHBondContact O-CB 3.46Å; I536-N583 PolarHBondContact O-ND2 3.38Å; C539-N583 CarbonylContact C-O 3.47Å; C539-N583 HydrophobicContact CB-CB 4.07Å; C539-N583 WeakPolarHBondContact CB-O 3.05Å; E540-N583 WeakPolarHBondContact CA-O 3.45Å; E540-N583 HydrophobicContact CB-CB 4.45Å; E540-N583 PolarHBondContact N-O 3.21Å; E540-N583 VanDerWaalsContact N-O 3.14Å; Y579-N583 PolarHBondContact O-N 3.14Å; Y579-N583 VanDerWaalsContact O-N 3.1Å; A580-N583 CarbonylContact O-C 2.95Å; A580-N583 PolarHBondContact O-N 3.49Å; A580-N583 VanDerWaalsContact O-N 3.14Å; I581-N583 PolarHBondContact O-N 3.35Å
584	G	94	Very high	91.3	Very high	19 Å²	19	30.1 Å²	30.1	20%	0.196	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	103.5	17.6	169.7	0	0	0	0	0	116.3	K543 A580 I581 R582 D586	K543-G584 WeakPolarHBondContact CE-O 3.46Å; A580-G584 PolarHBondContact O-N 3.14Å; A580-G584 VanDerWaalsContact O-N 3.11Å; I581-G584 PolarHBondContact O-N 3.19Å; R582-G584 VanDerWaalsContact C-N 3.35Å; G584-D586 PolarHBondContact O-N 3.23Å
585	M	97.4	Very high	90.3	Very high	5 Å²	5	32.3 Å²	32.3	3%	0.025	17%	0.167	C	C	.	.			trans	-67.2	124.5	168.4	-170.9	176.4	178.3	0	0	110.6	F349 I518 F535 I551 V555 F576 L577 A580 M587	F349-M585 HydrophobicContact CE2-CE 4.43Å; F349-M585 HydrophobicContact CE2-CG 4.15Å; F349-M585 HydrophobicContact CE2-SD 4.4Å; I518-M585 HydrophobicContact CD1-CE 4.28Å; F535-M585 HydrophobicContact CE1-CE 4.42Å; F535-M585 HydrophobicContact CE1-SD 3.79Å; F535-M585 HydrophobicContact CZ-CE 4.27Å; F535-M585 HydrophobicContact CZ-SD 4.19Å; I551-M585 HydrophobicContact CG2-CG 4.43Å; V555-M585 HydrophobicContact CG2-CE 4.22Å; F576-M585 HydrophobicContact CE1-SD 4.35Å; L577-M585 HydrophobicContact CD2-CE 4.46Å; L577-M585 HydrophobicContact CD2-SD 4.27Å; A580-M585 HydrophobicContact CB-CB 3.97Å; A580-M585 HydrophobicContact CB-CG 4.49Å; A580-M585 HydrophobicContact CB-SD 3.64Å; A580-M585 WeakPolarHBondContact O-CB 3.35Å; A580-M585 PolarHBondContact O-N 3.16Å; M585-M587 WeakPolarHBondContact CE-O 3.35Å
586	D	97.7	Very high	89.3	Confident	34 Å²	34	33.7 Å²	33.7	18%	0.182	18%	0.179	C	C	.	.			trans	-92.2	-33.3	-172.9	-51.1	-86.8	0	0	0	113.2	F349 V350 K543 L550 I551 G584	F349-D586 WeakPolarHBondContact CA-O 3.44Å; V350-D586 PolarHBondContact N-O 3.37Å; K543-D586 WeakPolarHBondContact CE-OD1 3.43Å; K543-D586 WeakPolarHBondContact CE-OD2 3.42Å; K543-D586 IonicContact NZ-OD1 3.04Å; K543-D586 PolarHBondContact NZ-OD1 3.11Å; K543-D586 IonicContact NZ-OD2 3.37Å; K543-D586 PolarHBondContact NZ-OD2 3.35Å; L550-D586 WeakPolarHBondContact CA-OD2 3.21Å; L550-D586 HydrophobicContact CB-CB 4.41Å; L550-D586 HydrophobicContact CD2-CB 4.11Å; I551-D586 PolarHBondContact N-OD2 3.48Å; I551-D586 PolarHBondContact O-N 3.39Å; G584-D586 PolarHBondContact O-N 3.23Å
587	M	97	Very high	88.4	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	164.5	-175.6	68.8	-179.6	66	0	0	111.4	I343 F349 V350 V352 I513 L550 I551 S552 M585	I343-M587 HydrophobicContact CD1-CE 3.63Å; F349-M587 VanDerWaalsContact CZ-C 3.44Å; V350-M587 HydrophobicContact CB-CB 3.74Å; V350-M587 HydrophobicContact CG1-CB 4.39Å; V350-M587 CarbonylContact O-C 3.55Å; V350-M587 WeakPolarHBondContact O-CA 3.45Å; V350-M587 WeakPolarHBondContact O-CB 3.17Å; V352-M587 HydrophobicContact CG2-CB 4.47Å; V352-M587 HydrophobicContact CG2-SD 4.39Å; I513-M587 HydrophobicContact CD1-CE 4.13Å; I513-M587 HydrophobicContact CD1-SD 4.11Å; I513-M587 HydrophobicContact CG1-CE 4.34Å; I513-M587 HydrophobicContact CG2-SD 4.07Å; L550-M587 HydrophobicContact CD1-CE 3.84Å; I551-M587 PolarHBondContact O-N 2.93Å; I551-M587 VanDerWaalsContact O-N 3.15Å; S552-M587 WeakPolarHBondContact CA-O 3.44Å; S552-M587 VanDerWaalsContact CB-CG 3.48Å; S552-M587 WeakPolarHBondContact OG-CG 3.38Å; M585-M587 WeakPolarHBondContact CE-O 3.35Å
588	G	95.7	Very high	87.6	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	147.3	174.6	0	0	0	0	0	113.3	V350 V352 V590	V350-G588 PolarHBondContact O-N 3.49Å; V352-G588 PolarHBondContact N-O 3.37Å; G588-V590 PolarHBondContact O-N 3.47Å
589	I	96.5	Very high	86.9	Confident	19 Å²	19	42.6 Å²	42.6	10%	0.097	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	110.6	175	-56.4	164.9	0	0	0	107.8	V352 E354 M425 G553 V555	V352-I589 HydrophobicContact CB-CB 4.47Å; V352-I589 HydrophobicContact CB-CG1 3.99Å; V352-I589 HydrophobicContact CG1-CG1 4.04Å; V352-I589 CarbonylContact O-C 3.54Å; V352-I589 WeakPolarHBondContact O-CA 3.39Å; E354-I589 HydrophobicContact CB-CG2 3.52Å; M425-I589 HydrophobicContact SD-CD1 4.15Å; M425-I589 HydrophobicContact SD-CG1 4.4Å; G553-I589 PolarHBondContact O-N 2.9Å; V555-I589 PolarHBondContact N-O 3.26Å
590	V	93	Very high	86.3	Confident	4 Å²	4	46.3 Å²	46.3	2%	0.024	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	162.4	-166.7	-66	0	0	0	0	111.3	N351 V352 E354 V555 L577 G588 A592 L595	N351-V590 HydrophobicContact CB-CG2 3.87Å; V352-V590 PolarHBondContact O-N 2.97Å; V352-V590 VanDerWaalsContact O-O 3.09Å; E354-V590 VanDerWaalsContact CG-C 3.5Å; E354-V590 WeakPolarHBondContact CG-O 3.47Å; E354-V590 PolarHBondContact N-O 2.97Å; V555-V590 HydrophobicContact CB-CG1 3.75Å; V555-V590 HydrophobicContact CG1-CG1 4.27Å; V555-V590 HydrophobicContact CG2-CG1 3.52Å; L577-V590 HydrophobicContact CD1-CG1 4.34Å; G588-V590 PolarHBondContact O-N 3.47Å; V590-A592 PolarHBondContact O-N 3.4Å; V590-L595 HydrophobicContact CB-CD2 4.25Å; V590-L595 HydrophobicContact CG1-CD2 4.17Å; V590-L595 HydrophobicContact CG2-CD1 4.2Å
591	N	88.1	Confident	85.6	Confident	22 Å²	22	47.1 Å²	47.1	12%	0.118	26%	0.255	C	S	.	.			trans	-84.5	100.5	159.8	-175.5	9.2	0	0	0	109.8	E354 R355 G593 Q594	E354-N591 HydrophobicContact CG-CB 4.31Å; E354-N591 WeakPolarHBondContact OE1-CB 3.49Å; E354-N591 PolarHBondContact OE1-N 3.4Å; R355-N591 PolarHBondContact NE-ND2 2.87Å; R355-N591 VanDerWaalsContact NE-ND2 3.2Å; R355-N591 PolarHBondContact NH2-ND2 3.21Å; N591-G593 PolarHBondContact O-N 3.13Å; N591-G593 VanDerWaalsContact O-N 3.07Å; N591-Q594 HydrophobicContact CB-CB 4.25Å; N591-Q594 VanDerWaalsContact ND2-CG 3.32Å; N591-Q594 WeakPolarHBondContact ND2-CG 3.45Å; N591-Q594 PolarHBondContact ND2-OE1 2.97Å; N591-Q594 PolarHBondContact O-N 2.83Å
592	A	73.3	Confident	85.4	Confident	13 Å²	13	47 Å²	47	11%	0.107	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-53.1	-34.1	-175.1	0	0	0	0	0	113.9	N386 A388 V590 Q594	N386-A592 HydrophobicContact CB-CB 4.32Å; N386-A592 WeakPolarHBondContact O-CB 3.41Å; A388-A592 HydrophobicContact CB-CB 4.1Å; V590-A592 PolarHBondContact O-N 3.4Å; A592-Q594 PolarHBondContact O-N 2.93Å
593	G	71.9	Confident	85.2	Confident	46 Å²	46	42 Å²	42	47%	0.474	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-81.7	-1.1	179.7	0	0	0	0	0	116.3	N591	N591-G593 PolarHBondContact O-N 3.13Å; N591-G593 VanDerWaalsContact O-N 3.07Å
594	Q	69.9	Low	85	Confident	64 Å²	64	45.1 Å²	45.1	30%	0.299	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-125.1	16	-175.4	-76.2	-174.6	-35	0	0	113.8	E570 N591 A592 A596	E570-Q594 WeakPolarHBondContact CG-O 3.25Å; N591-Q594 HydrophobicContact CB-CB 4.25Å; N591-Q594 VanDerWaalsContact ND2-CG 3.32Å; N591-Q594 WeakPolarHBondContact ND2-CG 3.45Å; N591-Q594 PolarHBondContact ND2-OE1 2.97Å; N591-Q594 PolarHBondContact O-N 2.83Å; A592-Q594 PolarHBondContact O-N 2.93Å; Q594-A596 PolarHBondContact O-N 2.8Å
595	L	69.1	Low	84.9	Confident	54 Å²	54	44.4 Å²	44.4	28%	0.283	26%	0.256	S	S	.	.			trans	-76.3	108.1	177	-70.2	173.3	0	0	0	110.7	N351 L577 V590	N351-L595 WeakPolarHBondContact OD1-CD1 3.17Å; L577-L595 HydrophobicContact CD1-CD2 3.68Å; V590-L595 HydrophobicContact CB-CD2 4.25Å; V590-L595 HydrophobicContact CG1-CD2 4.17Å; V590-L595 HydrophobicContact CG2-CD1 4.2Å
596	A	72.9	Confident	84.7	Confident	30 Å²	30	47.1 Å²	47.1	25%	0.248	27%	0.266	C	S	.	.			trans	-66.1	145.4	170.8	0	0	0	0	0	111.3	E570 A574 Q594 L601	E570-A596 HydrophobicContact CB-CB 4.07Å; A574-A596 HydrophobicContact CB-CB 4.17Å; A574-A596 VanDerWaalsContact CB-O 3.23Å; A574-A596 WeakPolarHBondContact CB-O 3.09Å; Q594-A596 PolarHBondContact O-N 2.8Å; A596-L601 HydrophobicContact CB-CD2 4.04Å
597	I	77.1	Confident	84.5	Confident	105 Å²	105	48.8 Å²	48.8	54%	0.538	28%	0.275	S	S	.	.			trans	-81.9	125.7	175	-62.6	168.9	0	0	0	108.2	D599 D600 L601	I597-D599 HydrophobicContact CG2-CB 4.46Å; I597-D599 PolarHBondContact O-N 2.89Å; I597-D599 VanDerWaalsContact O-N 3.15Å; I597-D600 HydrophobicContact CB-CB 4.17Å; I597-D600 WeakPolarHBondContact CD1-OD2 3.28Å; I597-D600 PolarHBondContact O-N 2.78Å; I597-L601 PolarHBondContact O-N 2.77Å
598	Y	78.7	Confident	84.4	Confident	32 Å²	32	49.1 Å²	49.1	13%	0.125	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-51.2	-39.9	-177.5	171.9	-87.8	0	0	0	113.4	V575 Y578 D600 L601 R606 E610	V575-Y598 HydrophobicContact CG2-CD2 4.04Å; V575-Y598 HydrophobicContact CG2-CE2 4.08Å; Y578-Y598 HydrophobicContact CD1-CD2 4.1Å; Y578-Y598 AromaticContact CD1-CE2 3.82Å; Y578-Y598 HydrophobicContact CD1-CE2 3.82Å; Y578-Y598 AromaticContact CD2-CD1 3.86Å; Y578-Y598 HydrophobicContact CD2-CD1 3.86Å; Y578-Y598 AromaticContact CD2-CD2 4Å; Y578-Y598 HydrophobicContact CD2-CD2 4Å; Y578-Y598 HydrophobicContact CD2-CE1 4.26Å; Y578-Y598 HydrophobicContact CD2-CE2 4.4Å; Y578-Y598 AromaticContact CD2-CG 3.72Å; Y578-Y598 HydrophobicContact CD2-CG 3.72Å; Y578-Y598 HydrophobicContact CE1-CE1 4.15Å; Y578-Y598 HydrophobicContact CE1-CE2 4.1Å; Y578-Y598 AromaticContact CE1-CZ 3.83Å; Y578-Y598 AromaticContact CE2-CD1 3.71Å; Y578-Y598 HydrophobicContact CE2-CD1 3.71Å; Y578-Y598 AromaticContact CE2-CE1 3.84Å; Y578-Y598 HydrophobicContact CE2-CE1 3.84Å; Y578-Y598 HydrophobicContact CE2-CG 4.08Å; Y578-Y598 HydrophobicContact CG-CD1 4.36Å; Y578-Y598 AromaticContact CG-CD2 3.72Å; Y578-Y598 HydrophobicContact CG-CD2 3.72Å; Y578-Y598 AromaticContact CG-CE2 3.95Å; Y578-Y598 HydrophobicContact CG-CE2 3.95Å; Y578-Y598 AromaticContact CG-CG 3.95Å; Y578-Y598 HydrophobicContact CG-CG 3.95Å; Y578-Y598 AromaticContact CZ-CE1 3.73Å; Y578-Y598 AromaticContact CZ-CZ 3.91Å; Y598-D600 VanDerWaalsContact C-N 3.34Å; Y598-L601 PolarHBondContact O-N 2.91Å; Y598-R606 HydrophobicContact CE2-CG 4.13Å; Y598-E610 PolarHBondContact OH-OE1 2.69Å
599	D	76.6	Confident	84.4	Confident	122 Å²	122	49.1 Å²	49.1	65%	0.652	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-75.1	-21	-179	-70.9	-32.6	0	0	0	113.7	I597 L601	I597-D599 HydrophobicContact CG2-CB 4.46Å; I597-D599 PolarHBondContact O-N 2.89Å; I597-D599 VanDerWaalsContact O-N 3.15Å; D599-L601 VanDerWaalsContact C-N 3.34Å
600	D	84	Confident	84.4	Confident	121 Å²	121	48.9 Å²	48.9	65%	0.647	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-86.2	-8.4	178.9	-68.4	-18.5	0	0	0	112.5	I597 Y598	I597-D600 HydrophobicContact CB-CB 4.17Å; I597-D600 WeakPolarHBondContact CD1-OD2 3.28Å; I597-D600 PolarHBondContact O-N 2.78Å; Y598-D600 VanDerWaalsContact C-N 3.34Å
601	L	81.8	Confident	84.6	Confident	18 Å²	18	49.6 Å²	49.6	9%	0.094	28%	0.28	C	S	.	.	S	Bend	trans	-66.6	134.3	177.8	-64.5	178.8	0	0	0	111.1	A571 A574 V575 A596 I597 Y598 D599 A603 R606	A571-L601 HydrophobicContact CB-CD1 4.19Å; A571-L601 HydrophobicContact CB-CD2 3.8Å; A574-L601 HydrophobicContact CB-CD1 4.06Å; V575-L601 HydrophobicContact CG2-CD1 3.81Å; A596-L601 HydrophobicContact CB-CD2 4.04Å; I597-L601 PolarHBondContact O-N 2.77Å; Y598-L601 PolarHBondContact O-N 2.91Å; D599-L601 VanDerWaalsContact C-N 3.34Å; L601-A603 PolarHBondContact O-N 3.47Å; L601-R606 HydrophobicContact CB-CB 3.95Å; L601-R606 HydrophobicContact CB-CG 4.37Å; L601-R606 HydrophobicContact CD1-CB 4.43Å; L601-R606 HydrophobicContact CD1-CG 4.28Å
602	P	88.4	Confident	84.9	Confident	66 Å²	66	49 Å²	49	43%	0.429	28%	0.277	S	S	.	.			trans	-54.7	129.9	171.4	-24.7	33.5	0	0	0	111	E604 L605 R606	P602-E604 VanDerWaalsContact C-N 3.29Å; P602-E604 PolarHBondContact O-N 3.27Å; P602-E604 VanDerWaalsContact O-N 3.15Å; P602-L605 HydrophobicContact CB-CB 4.37Å; P602-L605 PolarHBondContact O-N 2.72Å; P602-R606 PolarHBondContact O-N 2.84Å
603	A	89.2	Confident	86.1	Confident	57 Å²	57	48.3 Å²	48.3	47%	0.471	27%	0.272	S	S	.	.	H	α-helix	trans	-52.9	-41.5	-172.8	0	0	0	0	0	113.7	L601 L605 R606 D607	L601-A603 PolarHBondContact O-N 3.47Å; A603-L605 PolarHBondContact O-N 2.95Å; A603-R606 PolarHBondContact O-N 2.96Å; A603-D607 WeakPolarHBondContact O-CB 3.39Å; A603-D607 PolarHBondContact O-N 3.41Å
604	E	92.5	Very high	87.2	Confident	116 Å²	116	47.8 Å²	47.8	54%	0.542	26%	0.258	S	S	.	.	H	α-helix	trans	-61.1	-41.6	177.2	-170.9	-174.8	-177.2	0	0	112.2	P602 A608 L627 K630	P602-E604 VanDerWaalsContact C-N 3.29Å; P602-E604 PolarHBondContact O-N 3.27Å; P602-E604 VanDerWaalsContact O-N 3.15Å; E604-A608 WeakPolarHBondContact O-CB 3.48Å; E604-A608 PolarHBondContact O-N 2.74Å; E604-L627 HydrophobicContact CG-CD1 4.1Å; E604-L627 HydrophobicContact CG-CD2 4.24Å; E604-L627 WeakPolarHBondContact OE1-CD1 3.42Å; E604-K630 IonicContact OE1-NZ 3.94Å; E604-K630 PolarHBondContact OE1-NZ 3.36Å; E604-K630 IonicContact OE2-NZ 3.2Å; E604-K630 PolarHBondContact OE2-NZ 3.48Å
605	L	92.8	Very high	88.5	Confident	4 Å²	4	47.2 Å²	47.2	2%	0.021	26%	0.257	C	S	.	.	H	α-helix	trans	-72.4	-45	178.2	-179.6	60.9	0	0	0	111.3	V568 A571 P602 A603 D607 A608 V609 L624 L627 Y631	V568-L605 HydrophobicContact CG2-CD1 4.38Å; A571-L605 HydrophobicContact CB-CD1 4.5Å; A571-L605 HydrophobicContact CB-CD2 3.71Å; A571-L605 HydrophobicContact CB-CG 3.91Å; P602-L605 HydrophobicContact CB-CB 4.37Å; P602-L605 PolarHBondContact O-N 2.72Å; A603-L605 PolarHBondContact O-N 2.95Å; L605-D607 PolarHBondContact O-N 3.46Å; L605-A608 PolarHBondContact O-N 3.06Å; L605-V609 HydrophobicContact CD1-CG2 4.09Å; L605-V609 HydrophobicContact CG-CG2 4.42Å; L605-V609 WeakPolarHBondContact O-CB 3.44Å; L605-V609 VanDerWaalsContact O-CG2 3.27Å; L605-V609 WeakPolarHBondContact O-CG2 3.19Å; L605-V609 PolarHBondContact O-N 3.14Å; L605-L624 HydrophobicContact CD1-CD1 4.28Å; L605-L627 HydrophobicContact CB-CD2 4.35Å; L605-L627 HydrophobicContact CD1-CD2 4Å; L605-Y631 HydrophobicContact CB-CE2 4.3Å; L605-Y631 HydrophobicContact CD1-CD2 4.43Å; L605-Y631 HydrophobicContact CD1-CE2 4.13Å; L605-Y631 HydrophobicContact CD2-CE1 4.08Å; L605-Y631 HydrophobicContact CD2-CE2 4.22Å; L605-Y631 HydrophobicContact CG-CE2 4.45Å
606	R	92.1	Very high	89.6	Confident	63 Å²	63	50.3 Å²	50.3	24%	0.238	27%	0.265	C	S	.	.	H	α-helix	trans	-57.9	-49.6	178	-172.8	-174	65.5	-169.6	-3.3	111.4	V575 Y598 L601 P602 A603 A608 V609 E610	V575-R606 HydrophobicContact CG2-CG 4.25Å; Y598-R606 HydrophobicContact CE2-CG 4.13Å; L601-R606 HydrophobicContact CB-CB 3.95Å; L601-R606 HydrophobicContact CB-CG 4.37Å; L601-R606 HydrophobicContact CD1-CB 4.43Å; L601-R606 HydrophobicContact CD1-CG 4.28Å; P602-R606 PolarHBondContact O-N 2.84Å; A603-R606 PolarHBondContact O-N 2.96Å; R606-A608 VanDerWaalsContact C-N 3.34Å; R606-A608 PolarHBondContact O-N 3.37Å; R606-V609 PolarHBondContact O-N 3.44Å; R606-E610 WeakPolarHBondContact O-CG 3.29Å; R606-E610 PolarHBondContact O-N 3.26Å
607	D	94.1	Very high	90.5	Very high	69 Å²	69	52.7 Å²	52.7	37%	0.369	27%	0.267	S	S	.	.	H	α-helix	trans	-65.2	-38.4	-177.7	-65.6	-5	0	0	0	111.5	A603 L605 E610 D611 R616	A603-D607 WeakPolarHBondContact O-CB 3.39Å; A603-D607 PolarHBondContact O-N 3.41Å; L605-D607 PolarHBondContact O-N 3.46Å; D607-E610 PolarHBondContact O-N 3.19Å; D607-D611 VanDerWaalsContact O-CG 3.27Å; D607-D611 PolarHBondContact O-N 2.82Å; D607-R616 PolarHBondContact O-NH2 2.93Å
608	A	94.6	Very high	91.1	Very high	7 Å²	7	55 Å²	55	6%	0.058	28%	0.281	C	S	.	.	H	α-helix	trans	-67.6	-38.4	176	0	0	0	0	0	112.7	E604 L605 R606 V612 L624 L627	E604-A608 WeakPolarHBondContact O-CB 3.48Å; E604-A608 PolarHBondContact O-N 2.74Å; L605-A608 PolarHBondContact O-N 3.06Å; R606-A608 VanDerWaalsContact C-N 3.34Å; R606-A608 PolarHBondContact O-N 3.37Å; A608-V612 PolarHBondContact O-N 2.95Å; A608-L624 HydrophobicContact CB-CD1 4.25Å; A608-L627 HydrophobicContact CB-CD2 3.7Å
609	V	95.8	Very high	91.6	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-68.7	-42.4	174.4	170.4	0	0	0	0	111	A571 I572 V575 L605 R606 D611 V612 I613 L624	A571-V609 HydrophobicContact CB-CG2 4.1Å; I572-V609 HydrophobicContact CB-CG1 4.31Å; I572-V609 HydrophobicContact CG1-CG1 3.98Å; I572-V609 HydrophobicContact CG1-CG2 4.04Å; V575-V609 HydrophobicContact CB-CG1 3.59Å; V575-V609 HydrophobicContact CG1-CG1 3.97Å; V575-V609 HydrophobicContact CG2-CB 4.18Å; V575-V609 HydrophobicContact CG2-CG1 3.63Å; L605-V609 HydrophobicContact CD1-CG2 4.09Å; L605-V609 HydrophobicContact CG-CG2 4.42Å; L605-V609 WeakPolarHBondContact O-CB 3.44Å; L605-V609 VanDerWaalsContact O-CG2 3.27Å; L605-V609 WeakPolarHBondContact O-CG2 3.19Å; L605-V609 PolarHBondContact O-N 3.14Å; R606-V609 PolarHBondContact O-N 3.44Å; V609-D611 VanDerWaalsContact C-N 3.29Å; V609-D611 PolarHBondContact O-N 3.07Å; V609-V612 PolarHBondContact O-N 2.81Å; V609-V612 VanDerWaalsContact O-N 3.16Å; V609-I613 HydrophobicContact CG1-CG1 4.03Å; V609-I613 WeakPolarHBondContact O-CG1 3.44Å; V609-I613 PolarHBondContact O-N 3.03Å; V609-L624 HydrophobicContact CG2-CD1 3.79Å; V609-L624 HydrophobicContact CG2-CD2 4.38Å
610	E	96.5	Very high	92.3	Very high	14 Å²	14	50.6 Å²	50.6	7%	0.065	26%	0.26	C	S	.	.	H	α-helix	trans	-60.1	-39.1	174.6	-78	-174.1	176.5	0	0	112.6	V575 Y579 Y598 R606 D607 V612 I613 L614 R616	V575-E610 HydrophobicContact CG1-CB 4.41Å; V575-E610 HydrophobicContact CG1-CG 3.68Å; Y579-E610 HydrophobicContact CE2-CG 4.13Å; Y579-E610 PolarHBondContact OH-OE1 3.27Å; Y598-E610 PolarHBondContact OH-OE1 2.69Å; R606-E610 WeakPolarHBondContact O-CG 3.29Å; R606-E610 PolarHBondContact O-N 3.26Å; D607-E610 PolarHBondContact O-N 3.19Å; E610-V612 PolarHBondContact O-N 3.1Å; E610-I613 PolarHBondContact O-N 3.34Å; E610-L614 VanDerWaalsContact O-CB 3.3Å; E610-L614 WeakPolarHBondContact O-CB 3.38Å; E610-L614 PolarHBondContact O-N 3.4Å; E610-R616 IonicContact OE2-CZ 3.03Å; E610-R616 IonicContact OE2-NH1 3.43Å; E610-R616 PolarHBondContact OE2-NH1 3.34Å; E610-R616 IonicContact OE2-NH2 3.89Å; E610-R616 PolarHBondContact OE2-NH2 3.33Å; E610-R616 VanDerWaalsContact OE2-NH2 3.15Å
611	D	96.5	Very high	92.5	Very high	18 Å²	18	45.6 Å²	45.6	10%	0.096	23%	0.234	C	C	.	.	H	α-helix	trans	-58.8	-35.5	176.9	-78.9	-13.3	0	0	0	112	D607 V609 N615 R616 R617	D607-D611 VanDerWaalsContact O-CG 3.27Å; D607-D611 PolarHBondContact O-N 2.82Å; V609-D611 VanDerWaalsContact C-N 3.29Å; V609-D611 PolarHBondContact O-N 3.07Å; D611-N615 WeakPolarHBondContact O-CA 3.49Å; D611-N615 PolarHBondContact O-N 2.79Å; D611-R616 PolarHBondContact O-N 3.1Å; D611-R616 IonicContact OD1-CZ 3.89Å; D611-R616 IonicContact OD1-NE 2.78Å; D611-R616 PolarHBondContact OD1-NE 3.04Å; D611-R616 IonicContact OD1-NH2 3.9Å; D611-R616 PolarHBondContact OD1-NH2 3.43Å; D611-R617 HydrophobicContact CB-CG 3.95Å; D611-R617 WeakPolarHBondContact OD2-CD 3.13Å; D611-R617 IonicContact OD2-NE 3.87Å; D611-R617 IonicContact OD2-NH1 2.67Å
612	V	96.1	Very high	92.9	Very high	9 Å²	9	51.1 Å²	51.1	6%	0.055	26%	0.259	C	S	.	.	H	α-helix	trans	-78.7	-50.3	175.6	171.8	0	0	0	0	111.9	V521 A522 A608 V609 E610 L614 N615 G620 L624	V521-V612 HydrophobicContact CB-CG1 3.92Å; V521-V612 HydrophobicContact CG2-CG1 3.64Å; A522-V612 HydrophobicContact CB-CG1 3.89Å; A608-V612 PolarHBondContact O-N 2.95Å; V609-V612 PolarHBondContact O-N 2.81Å; V609-V612 VanDerWaalsContact O-N 3.16Å; E610-V612 PolarHBondContact O-N 3.1Å; V612-L614 VanDerWaalsContact C-N 3.34Å; V612-L614 PolarHBondContact O-N 2.7Å; V612-N615 PolarHBondContact O-N 2.74Å; V612-G620 WeakPolarHBondContact CG2-O 3.5Å; V612-L624 HydrophobicContact CB-CD2 4.21Å; V612-L624 HydrophobicContact CG1-CD2 4.42Å; V612-L624 HydrophobicContact CG2-CB 3.94Å; V612-L624 HydrophobicContact CG2-CD2 3.76Å
613	I	97	Very high	93	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-62.6	-41.2	-176.1	-71.2	-61.8	0	0	0	111.8	V521 A532 Q533 I536 V558 I572 V575 F576 Y579 V609 E610	V521-I613 HydrophobicContact CG2-CD1 4.23Å; A532-I613 HydrophobicContact CB-CD1 3.95Å; A532-I613 HydrophobicContact CB-CG2 4.32Å; A532-I613 WeakPolarHBondContact CB-O 3.41Å; Q533-I613 PolarHBondContact N-O 2.93Å; I536-I613 HydrophobicContact CD1-CG2 3.84Å; V558-I613 HydrophobicContact CG2-CD1 3.89Å; I572-I613 HydrophobicContact CG2-CD1 3.94Å; V575-I613 HydrophobicContact CG1-CB 4.16Å; V575-I613 HydrophobicContact CG1-CG1 4.08Å; V575-I613 HydrophobicContact CG1-CG2 4.29Å; F576-I613 HydrophobicContact CB-CD1 3.97Å; F576-I613 HydrophobicContact CD2-CD1 4.31Å; Y579-I613 HydrophobicContact CD2-CG2 4.49Å; V609-I613 HydrophobicContact CG1-CG1 4.03Å; V609-I613 WeakPolarHBondContact O-CG1 3.44Å; V609-I613 PolarHBondContact O-N 3.03Å; E610-I613 PolarHBondContact O-N 3.34Å
614	L	96.5	Very high	93.2	Very high	34 Å²	34	50.4 Å²	50.4	18%	0.178	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	1.5	-178.8	-59.2	177.3	0	0	0	113.3	Y579 E610 V612 R616	Y579-L614 HydrophobicContact CD1-CD2 3.98Å; Y579-L614 HydrophobicContact CD2-CD2 3.92Å; Y579-L614 HydrophobicContact CD2-CG 4.35Å; Y579-L614 HydrophobicContact CE1-CD1 4.05Å; Y579-L614 HydrophobicContact CE1-CD2 4.15Å; Y579-L614 HydrophobicContact CE2-CD1 3.91Å; Y579-L614 HydrophobicContact CE2-CD2 4.11Å; Y579-L614 HydrophobicContact CE2-CG 4.13Å; Y579-L614 HydrophobicContact CG-CD2 3.87Å; E610-L614 VanDerWaalsContact O-CB 3.3Å; E610-L614 WeakPolarHBondContact O-CB 3.38Å; E610-L614 PolarHBondContact O-N 3.4Å; V612-L614 VanDerWaalsContact C-N 3.34Å; V612-L614 PolarHBondContact O-N 2.7Å; L614-R616 VanDerWaalsContact C-N 3.3Å; L614-R616 HydrophobicContact CB-CG 3.75Å; L614-R616 HydrophobicContact CD1-CG 4.46Å; L614-R616 PolarHBondContact O-N 2.94Å
615	N	95.4	Very high	93	Very high	53 Å²	53	48.6 Å²	48.6	28%	0.283	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.5	48.3	-177.4	-167.9	23	0	0	0	112.7	N530 D611 V612 R617	N530-N615 PolarHBondContact OD1-ND2 3.42Å; D611-N615 WeakPolarHBondContact O-CA 3.49Å; D611-N615 PolarHBondContact O-N 2.79Å; V612-N615 PolarHBondContact O-N 2.74Å; N615-R617 VanDerWaalsContact C-N 3.32Å; N615-R617 PolarHBondContact O-N 2.74Å
616	R	93.3	Very high	92.7	Very high	119 Å²	119	55.4 Å²	55.4	45%	0.449	26%	0.261	S	S	.	.			trans	-76.4	-17.5	-173.2	-62	-167.7	-67.6	-148.5	0.4	113.8	D607 E610 D611 L614	D607-R616 PolarHBondContact O-NH2 2.93Å; E610-R616 IonicContact OE2-CZ 3.03Å; E610-R616 IonicContact OE2-NH1 3.43Å; E610-R616 PolarHBondContact OE2-NH1 3.34Å; E610-R616 IonicContact OE2-NH2 3.89Å; E610-R616 PolarHBondContact OE2-NH2 3.33Å; E610-R616 VanDerWaalsContact OE2-NH2 3.15Å; D611-R616 PolarHBondContact O-N 3.1Å; D611-R616 IonicContact OD1-CZ 3.89Å; D611-R616 IonicContact OD1-NE 2.78Å; D611-R616 PolarHBondContact OD1-NE 3.04Å; D611-R616 IonicContact OD1-NH2 3.9Å; D611-R616 PolarHBondContact OD1-NH2 3.43Å; L614-R616 VanDerWaalsContact C-N 3.3Å; L614-R616 HydrophobicContact CB-CG 3.75Å; L614-R616 HydrophobicContact CD1-CG 4.46Å; L614-R616 PolarHBondContact O-N 2.94Å
617	R	92.4	Very high	92.5	Very high	79 Å²	79	53 Å²	53	30%	0.298	25%	0.253	S	S	.	.			trans	-158.3	148.2	-170.1	61.6	-174.2	-60.8	149.5	6.4	111.8	D611 N615 D619 G620 R623	D611-R617 HydrophobicContact CB-CG 3.95Å; D611-R617 WeakPolarHBondContact OD2-CD 3.13Å; D611-R617 IonicContact OD2-NE 3.87Å; D611-R617 IonicContact OD2-NH1 2.67Å; N615-R617 VanDerWaalsContact C-N 3.32Å; N615-R617 PolarHBondContact O-N 2.74Å; R617-D619 IonicContact CZ-OD1 3.55Å; R617-D619 IonicContact CZ-OD2 3.79Å; R617-D619 IonicContact NE-OD1 3.22Å; R617-D619 PolarHBondContact NE-OD1 2.97Å; R617-D619 IonicContact NE-OD2 2.71Å; R617-D619 VanDerWaalsContact NH2-CG 3.26Å; R617-D619 IonicContact NH2-OD1 3.17Å; R617-D619 PolarHBondContact NH2-OD1 3.48Å; R617-D619 IonicContact NH2-OD2 2.82Å; R617-D619 PolarHBondContact NH2-OD2 3.06Å; R617-D619 PolarHBondContact O-N 3.28Å; R617-G620 PolarHBondContact O-N 3.07Å; R617-R623 VanDerWaalsContact CZ-NH1 3.34Å; R617-R623 VanDerWaalsContact NH1-CZ 3.35Å; R617-R623 VanDerWaalsContact NH1-NH1 3.12Å
618	D	88.2	Confident	92.2	Very high	154 Å²	154	49.9 Å²	49.9	82%	0.824	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-32.4	-174.8	-55.4	-24.2	0	0	0	113.2	G620	D618-G620 VanDerWaalsContact C-N 3.34Å; D618-G620 PolarHBondContact O-N 3.12Å
619	D	90.6	Very high	91.6	Very high	58 Å²	58	54.5 Å²	54.5	31%	0.31	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	13.8	180	65.5	-36.5	0	0	0	113.6	R617 T621 E622 R623	R617-D619 IonicContact CZ-OD1 3.55Å; R617-D619 IonicContact CZ-OD2 3.79Å; R617-D619 IonicContact NE-OD1 3.22Å; R617-D619 PolarHBondContact NE-OD1 2.97Å; R617-D619 IonicContact NE-OD2 2.71Å; R617-D619 VanDerWaalsContact NH2-CG 3.26Å; R617-D619 IonicContact NH2-OD1 3.17Å; R617-D619 PolarHBondContact NH2-OD1 3.48Å; R617-D619 IonicContact NH2-OD2 2.82Å; R617-D619 PolarHBondContact NH2-OD2 3.06Å; R617-D619 PolarHBondContact O-N 3.28Å; D619-T621 PolarHBondContact O-N 3.48Å; D619-E622 PolarHBondContact O-N 2.93Å; D619-R623 WeakPolarHBondContact O-CG 3.41Å; D619-R623 PolarHBondContact O-N 2.83Å; D619-R623 VanDerWaalsContact O-N 3.14Å; D619-R623 WeakPolarHBondContact OD2-CD 3.4Å
620	G	89.8	Confident	90.9	Very high	3 Å²	3	61 Å²	61	3%	0.031	29%	0.286	C	S	.	.	H	α-helix	trans	-60.3	-44.9	-176.5	0	0	0	0	0	113.3	V612 R617 D618 R623 L624	V612-G620 WeakPolarHBondContact CG2-O 3.5Å; R617-G620 PolarHBondContact O-N 3.07Å; D618-G620 VanDerWaalsContact C-N 3.34Å; D618-G620 PolarHBondContact O-N 3.12Å; G620-R623 PolarHBondContact O-N 3.08Å; G620-L624 PolarHBondContact O-N 3.41Å
621	T	89.6	Confident	90.1	Very high	16 Å²	16	63 Å²	63	10%	0.098	29%	0.293	C	S	.	.	H	α-helix	trans	-60.8	-46.3	178	-64.9	0	0	0	0	111.9	A522 N529 D619 L624 L625	A522-T621 HydrophobicContact CB-CG2 3.88Å; N529-T621 PolarHBondContact OD1-OG1 3.25Å; D619-T621 PolarHBondContact O-N 3.48Å; T621-L624 PolarHBondContact O-N 2.78Å; T621-L625 HydrophobicContact CG2-CD1 3.96Å; T621-L625 VanDerWaalsContact O-CG 3.31Å; T621-L625 WeakPolarHBondContact O-CG 3.13Å; T621-L625 PolarHBondContact O-N 3.38Å
622	E	89.9	Confident	88.6	Confident	135 Å²	135	69.9 Å²	69.9	63%	0.631	32%	0.318	S	S	*	.	H	α-helix	trans	-62.2	-46.1	-179.7	-64.2	-178	169.8	0	0	111.2	D619 L624 L625 E626	D619-E622 PolarHBondContact O-N 2.93Å; E622-L624 PolarHBondContact O-N 3.02Å; E622-L625 PolarHBondContact O-N 2.91Å; E622-E626 WeakPolarHBondContact O-CG 3.17Å; E622-E626 PolarHBondContact O-N 3.16Å
623	R	90.5	Very high	86.6	Confident	107 Å²	107	72.8 Å²	72.8	40%	0.404	35%	0.349	S	S	.	.	H	α-helix	trans	-61.2	-43.2	177.6	-72.2	171.3	59.6	114.4	4.7	112.8	R617 D619 G620 E626 L627	R617-R623 VanDerWaalsContact CZ-NH1 3.34Å; R617-R623 VanDerWaalsContact NH1-CZ 3.35Å; R617-R623 VanDerWaalsContact NH1-NH1 3.12Å; D619-R623 WeakPolarHBondContact O-CG 3.41Å; D619-R623 PolarHBondContact O-N 2.83Å; D619-R623 VanDerWaalsContact O-N 3.14Å; D619-R623 WeakPolarHBondContact OD2-CD 3.4Å; G620-R623 PolarHBondContact O-N 3.08Å; R623-E626 PolarHBondContact O-N 3.32Å; R623-L627 WeakPolarHBondContact O-CB 3.47Å; R623-L627 PolarHBondContact O-N 3.07Å
624	L	92.5	Very high	84	Confident	0 Å²	0	76.4 Å²	76.4	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-67.9	-38.2	179.3	-176.3	60.2	0	0	0	111.2	F562 V568 I572 L605 A608 V609 V612 G620 T621 E622 L627 A628	F562-L624 HydrophobicContact CE1-CD2 4.34Å; F562-L624 HydrophobicContact CE1-CG 4.09Å; F562-L624 HydrophobicContact CE2-CD2 3.78Å; F562-L624 HydrophobicContact CE2-CG 4.41Å; F562-L624 HydrophobicContact CZ-CB 4.4Å; F562-L624 HydrophobicContact CZ-CD2 3.49Å; F562-L624 VanDerWaalsContact CZ-CD2 3.49Å; F562-L624 HydrophobicContact CZ-CG 3.64Å; V568-L624 HydrophobicContact CG1-CD1 4.3Å; I572-L624 HydrophobicContact CD1-CD2 4.25Å; I572-L624 HydrophobicContact CG1-CD2 4.47Å; L605-L624 HydrophobicContact CD1-CD1 4.28Å; A608-L624 HydrophobicContact CB-CD1 4.25Å; V609-L624 HydrophobicContact CG2-CD1 3.79Å; V609-L624 HydrophobicContact CG2-CD2 4.38Å; V612-L624 HydrophobicContact CB-CD2 4.21Å; V612-L624 HydrophobicContact CG1-CD2 4.42Å; V612-L624 HydrophobicContact CG2-CB 3.94Å; V612-L624 HydrophobicContact CG2-CD2 3.76Å; G620-L624 PolarHBondContact O-N 3.41Å; T621-L624 PolarHBondContact O-N 2.78Å; E622-L624 PolarHBondContact O-N 3.02Å; L624-L627 PolarHBondContact O-N 2.86Å; L624-A628 WeakPolarHBondContact O-CB 3.44Å; L624-A628 PolarHBondContact O-N 2.98Å
625	L	89.1	Confident	80.9	Confident	79 Å²	79	84.1 Å²	84.1	41%	0.414	41%	0.407	S	S	.	.	H	α-helix	trans	-63.5	-44.6	174.6	-72.1	169.1	0	0	0	111.9	F562 T621 E622 A628 E629	F562-L625 HydrophobicContact CE1-CD2 3.81Å; F562-L625 HydrophobicContact CZ-CD2 4.16Å; T621-L625 HydrophobicContact CG2-CD1 3.96Å; T621-L625 VanDerWaalsContact O-CG 3.31Å; T621-L625 WeakPolarHBondContact O-CG 3.13Å; T621-L625 PolarHBondContact O-N 3.38Å; E622-L625 PolarHBondContact O-N 2.91Å; L625-A628 PolarHBondContact O-N 3.44Å; L625-E629 PolarHBondContact O-N 3.33Å
626	E	87.2	Confident	78.1	Confident	147 Å²	147	86.1 Å²	86.1	69%	0.687	42%	0.421	S	S	*	.	H	α-helix	trans	-61.3	-43.2	174.5	-74.2	-176.1	173	0	0	112.1	E622 R623	E622-E626 WeakPolarHBondContact O-CG 3.17Å; E622-E626 PolarHBondContact O-N 3.16Å; R623-E626 PolarHBondContact O-N 3.32Å
627	L	88	Confident	75.1	Confident	11 Å²	11	87.3 Å²	87.3	6%	0.058	44%	0.436	C	S	.	.	H	α-helix	trans	-68.4	-37.4	178.7	-172.4	64.1	0	0	0	111.8	E604 L605 A608 R623 L624 E629 K630 Y631	E604-L627 HydrophobicContact CG-CD1 4.1Å; E604-L627 HydrophobicContact CG-CD2 4.24Å; E604-L627 WeakPolarHBondContact OE1-CD1 3.42Å; L605-L627 HydrophobicContact CB-CD2 4.35Å; L605-L627 HydrophobicContact CD1-CD2 4Å; A608-L627 HydrophobicContact CB-CD2 3.7Å; R623-L627 WeakPolarHBondContact O-CB 3.47Å; R623-L627 PolarHBondContact O-N 3.07Å; L624-L627 PolarHBondContact O-N 2.86Å; L627-E629 PolarHBondContact O-N 3.35Å; L627-K630 HydrophobicContact CD1-CD 3.83Å; L627-K630 WeakPolarHBondContact O-CB 3.25Å; L627-K630 PolarHBondContact O-N 2.91Å; L627-Y631 HydrophobicContact CD1-CE2 4.24Å; L627-Y631 HydrophobicContact CG-CE2 4.06Å; L627-Y631 WeakPolarHBondContact O-CD2 3.44Å
628	A	86	Confident	72.2	Confident	5 Å²	5	91 Å²	91	4%	0.041	46%	0.462	C	S	.	.	H	α-helix	trans	-59.6	-29.7	-179.4	0	0	0	0	0	112.8	F562 N565 V568 L624 L625 K630 Y631 R632	F562-A628 HydrophobicContact CD1-CB 4.19Å; F562-A628 HydrophobicContact CE1-CB 3.99Å; N565-A628 PolarHBondContact ND2-O 2.83Å; V568-A628 HydrophobicContact CG1-CB 4.42Å; V568-A628 HydrophobicContact CG2-CB 3.94Å; L624-A628 WeakPolarHBondContact O-CB 3.44Å; L624-A628 PolarHBondContact O-N 2.98Å; L625-A628 PolarHBondContact O-N 3.44Å; A628-K630 PolarHBondContact O-N 3.2Å; A628-Y631 PolarHBondContact O-N 2.71Å; A628-Y631 VanDerWaalsContact O-N 3.09Å; A628-R632 PolarHBondContact O-N 2.89Å
629	E	83.6	Confident	69.7	Low	103 Å²	103	89.1 Å²	89.1	48%	0.481	46%	0.456	S	S	.	.	G	3₁₀ helix	trans	-60.5	-32.5	173	-66.3	-60.3	148.7	0	0	112.5	L625 L627 Y631 R632	L625-E629 PolarHBondContact O-N 3.33Å; L627-E629 PolarHBondContact O-N 3.35Å; E629-Y631 PolarHBondContact O-N 3.16Å; E629-R632 WeakPolarHBondContact O-CB 3.2Å; E629-R632 PolarHBondContact O-N 3.31Å; E629-R632 IonicContact OE1-CZ 2.61Å; E629-R632 IonicContact OE1-NH1 2.73Å; E629-R632 PolarHBondContact OE1-NH1 2.83Å; E629-R632 IonicContact OE1-NH2 3.07Å; E629-R632 WeakPolarHBondContact OE2-CD 3.39Å; E629-R632 IonicContact OE2-CZ 2.82Å; E629-R632 IonicContact OE2-NE 3.64Å; E629-R632 IonicContact OE2-NH1 3.56Å; E629-R632 PolarHBondContact OE2-NH1 2.81Å
630	K	80.9	Confident	67.1	Low	138 Å²	138	91.2 Å²	91.2	60%	0.6	48%	0.481	S	S	*	.	G	3₁₀ helix	trans	-65.9	-26.1	176.2	-59.3	-172.2	-165.9	163.5	0	112.7	E604 L627 A628	E604-K630 IonicContact OE1-NZ 3.94Å; E604-K630 PolarHBondContact OE1-NZ 3.36Å; E604-K630 IonicContact OE2-NZ 3.2Å; E604-K630 PolarHBondContact OE2-NZ 3.48Å; L627-K630 HydrophobicContact CD1-CD 3.83Å; L627-K630 WeakPolarHBondContact O-CB 3.25Å; L627-K630 PolarHBondContact O-N 2.91Å; A628-K630 PolarHBondContact O-N 3.2Å
631	Y	78.8	Confident	64.5	Low	56 Å²	56	97 Å²	97	22%	0.22	51%	0.512	C	S	.	.	G	3₁₀ helix	trans	-98.8	-1.2	-177.8	-67.3	-85.7	0	0	0	112.9	P567 V568 L605 L627 A628 E629 G633	P567-Y631 HydrophobicContact CB-CD1 4.27Å; V568-Y631 HydrophobicContact CG2-CD2 4.38Å; V568-Y631 HydrophobicContact CG2-CG 4.31Å; L605-Y631 HydrophobicContact CB-CE2 4.3Å; L605-Y631 HydrophobicContact CD1-CD2 4.43Å; L605-Y631 HydrophobicContact CD1-CE2 4.13Å; L605-Y631 HydrophobicContact CD2-CE1 4.08Å; L605-Y631 HydrophobicContact CD2-CE2 4.22Å; L605-Y631 HydrophobicContact CG-CE2 4.45Å; L627-Y631 HydrophobicContact CD1-CE2 4.24Å; L627-Y631 HydrophobicContact CG-CE2 4.06Å; L627-Y631 WeakPolarHBondContact O-CD2 3.44Å; A628-Y631 PolarHBondContact O-N 2.71Å; A628-Y631 VanDerWaalsContact O-N 3.09Å; E629-Y631 PolarHBondContact O-N 3.16Å; Y631-G633 PolarHBondContact O-N 3.05Å
632	R	64.9	Low	62.1	Low	162 Å²	162	97.4 Å²	97.4	61%	0.611	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	109	-179.2	-138.5	-176.7	-147	161.4	13	109.9	A628 E629	A628-R632 PolarHBondContact O-N 2.89Å; E629-R632 WeakPolarHBondContact O-CB 3.2Å; E629-R632 PolarHBondContact O-N 3.31Å; E629-R632 IonicContact OE1-CZ 2.61Å; E629-R632 IonicContact OE1-NH1 2.73Å; E629-R632 PolarHBondContact OE1-NH1 2.83Å; E629-R632 IonicContact OE1-NH2 3.07Å; E629-R632 WeakPolarHBondContact OE2-CD 3.39Å; E629-R632 IonicContact OE2-CZ 2.82Å; E629-R632 IonicContact OE2-NE 3.64Å; E629-R632 IonicContact OE2-NH1 3.56Å; E629-R632 PolarHBondContact OE2-NH1 2.81Å
633	G	54.7	Low	59.7	Low	70 Å²	70	97.6 Å²	97.6	72%	0.722	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.2	17.4	171.1	0	0	0	0	0	116.8	Y631 K635	Y631-G633 PolarHBondContact O-N 3.05Å; G633-K635 VanDerWaalsContact C-N 3.33Å; G633-K635 PolarHBondContact O-N 2.95Å
634	S	42.8	Very low	57.5	Low	75 Å²	75	98.8 Å²	98.8	52%	0.524	53%	0.527	S	S	.	.			trans	-62.2	102.5	153.1	53.3	0	0	0	0	107.2	P567 T636	P567-S634 WeakPolarHBondContact CG-OG 3.33Å; S634-T636 PolarHBondContact O-N 3.16Å
635	K	31.5	Very low	55.8	Low	197 Å²	197	101.7 Å²	101.7	86%	0.857	55%	0.551	S	S	*	*			trans	-54.1	115.3	176.5	-83.9	-178.3	170.9	-174.4	0	108.8	G633 D637	G633-K635 VanDerWaalsContact C-N 3.33Å; G633-K635 PolarHBondContact O-N 2.95Å; K635-D637 PolarHBondContact O-N 2.91Å
636	T	35.4	Very low	54.7	Low	95 Å²	95	103 Å²	103	58%	0.583	56%	0.555	S	S	*	*			trans	-62.4	116	157.7	16.4	0	0	0	0	107	S634 D638	S634-T636 PolarHBondContact O-N 3.16Å; T636-D638 PolarHBondContact O-N 2.55Å
637	D	31.6	Very low	54.5	Low	144 Å²	144	96.4 Å²	96.4	77%	0.77	52%	0.524	S	S	*	.			trans	-56	135.5	174.2	-82.9	-37.6	0	0	0	109.7	K635 T639	K635-D637 PolarHBondContact O-N 2.91Å; D637-T639 VanDerWaalsContact C-N 3.29Å; D637-T639 PolarHBondContact O-N 3.43Å
638	D	31	Very low	54.5	Low	155 Å²	155	98.2 Å²	98.2	83%	0.829	53%	0.53	S	S	*	.			trans	-60	87.1	-179.5	-79.5	-44.1	0	0	0	110.5	T636 A640 N641	T636-D638 PolarHBondContact O-N 2.55Å; D638-A640 PolarHBondContact O-N 3.07Å; D638-A640 VanDerWaalsContact O-N 3.12Å; D638-N641 PolarHBondContact O-N 2.77Å
639	T	36.5	Very low	54.4	Low	116 Å²	116	102.4 Å²	102.4	71%	0.712	56%	0.559	S	S	*	*	G	3₁₀ helix	trans	-71	-3.7	-174.1	30.1	0	0	0	0	114.4	D637 N641 A642	D637-T639 VanDerWaalsContact C-N 3.29Å; D637-T639 PolarHBondContact O-N 3.43Å; T639-N641 VanDerWaalsContact C-N 3.32Å; T639-N641 PolarHBondContact O-N 2.95Å; T639-A642 HydrophobicContact CG2-CB 4.08Å; T639-A642 WeakPolarHBondContact O-CB 3.34Å; T639-A642 PolarHBondContact O-N 3.47Å
640	A	35.4	Very low	54.7	Low	101 Å²	101	101.5 Å²	101.5	84%	0.835	55%	0.551	S	S	*	*	G	3₁₀ helix	trans	-72.8	-23.8	176.8	0	0	0	0	0	113.4	D638	D638-A640 PolarHBondContact O-N 3.07Å; D638-A640 VanDerWaalsContact O-N 3.12Å
641	N	33.8	Very low	55.2	Low	126 Å²	126	101.9 Å²	101.9	67%	0.674	56%	0.555	S	S	*	*	G	3₁₀ helix	trans	-103.9	6.1	170.3	-82.5	-13.1	0	0	0	112.4	D638 T639 Q643 Q644 A645	D638-N641 PolarHBondContact O-N 2.77Å; T639-N641 VanDerWaalsContact C-N 3.32Å; T639-N641 PolarHBondContact O-N 2.95Å; N641-Q643 PolarHBondContact O-N 3.49Å; N641-Q644 PolarHBondContact O-N 3.5Å; N641-A645 PolarHBondContact O-N 2.82Å
642	A	41	Very low	55.9	Low	23 Å²	23	99.3 Å²	99.3	19%	0.19	55%	0.545	C	S	.	.	H	α-helix	trans	-65.3	-33.9	-170.7	0	0	0	0	0	113.2	T639 Q644 A645 E646	T639-A642 HydrophobicContact CG2-CB 4.08Å; T639-A642 WeakPolarHBondContact O-CB 3.34Å; T639-A642 PolarHBondContact O-N 3.47Å; A642-Q644 PolarHBondContact O-N 3.23Å; A642-A645 CarbonylContact O-C 3.6Å; A642-A645 PolarHBondContact O-N 3.23Å; A642-E646 WeakPolarHBondContact O-CA 3.17Å; A642-E646 WeakPolarHBondContact O-CB 3.4Å; A642-E646 PolarHBondContact O-N 3.07Å
643	Q	37.9	Very low	57.1	Low	139 Å²	139	95.5 Å²	95.5	65%	0.65	54%	0.537	S	S	*	.	H	α-helix	trans	-73.6	-13	-179	-148.4	160.5	39	0	0	113.7	N641 W647	N641-Q643 PolarHBondContact O-N 3.49Å; Q643-W647 PolarHBondContact O-NE1 2.68Å
644	Q	45.3	Very low	58.8	Low	133 Å²	133	96.6 Å²	96.6	62%	0.621	52%	0.522	S	S	*	.	H	α-helix	trans	-87.8	-24.6	163.9	-108	-177	-7.2	0	0	112.4	N641 A642 R648	N641-Q644 PolarHBondContact O-N 3.5Å; A642-Q644 PolarHBondContact O-N 3.23Å; Q644-R648 WeakPolarHBondContact O-CG 3.19Å
645	A	55.7	Low	61.2	Low	60 Å²	60	94 Å²	94	50%	0.496	50%	0.501	S	S	.	.	H	α-helix	trans	-96.4	-32.6	-175	0	0	0	0	0	114.7	N641 A642 R648 S649	N641-A645 PolarHBondContact O-N 2.82Å; A642-A645 CarbonylContact O-C 3.6Å; A642-A645 PolarHBondContact O-N 3.23Å; A645-R648 PolarHBondContact O-N 3.1Å; A645-S649 PolarHBondContact O-N 3.13Å
646	E	67.6	Low	64.1	Low	107 Å²	107	84.7 Å²	84.7	50%	0.5	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-52.3	-172.9	-172.9	-173.4	175.4	0	0	110.4	A642 R648 S649 W650	A642-E646 WeakPolarHBondContact O-CA 3.17Å; A642-E646 WeakPolarHBondContact O-CB 3.4Å; A642-E646 PolarHBondContact O-N 3.07Å; E646-R648 PolarHBondContact O-N 3.37Å; E646-S649 WeakPolarHBondContact O-CA 3.47Å; E646-S649 WeakPolarHBondContact O-CB 3.39Å; E646-S649 PolarHBondContact O-N 3.26Å; E646-S649 PolarHBondContact O-OG 3.25Å; E646-W650 VanDerWaalsContact O-CD1 3.24Å; E646-W650 PolarHBondContact O-N 2.99Å; E646-W650 PolarHBondContact O-NE1 3.12Å
647	W	81.2	Confident	66.7	Low	8 Å²	8	82.4 Å²	82.4	3%	0.03	44%	0.443	C	S	.	.	G	3₁₀ helix	trans	-67	-28.2	177.8	75.7	-86.6	0	0	0	112.3	Q643 S649 W650 R655 Y658 S659 I664 F667	Q643-W647 PolarHBondContact O-NE1 2.68Å; W647-S649 PolarHBondContact O-N 2.64Å; W647-W650 VanDerWaalsContact CA-CD2 3.47Å; W647-W650 HydrophobicContact CB-CD2 3.84Å; W647-W650 HydrophobicContact CB-CE3 3.62Å; W647-W650 HydrophobicContact CB-CH2 3.96Å; W647-W650 HydrophobicContact CB-CZ2 4.13Å; W647-W650 HydrophobicContact CB-CZ3 3.7Å; W647-W650 WeakPolarHBondContact O-CB 2.87Å; W647-W650 PolarHBondContact O-N 2.94Å; W647-R655 HydrophobicContact CE3-CB 3.99Å; W647-R655 HydrophobicContact CE3-CG 4.22Å; W647-R655 HydrophobicContact CZ3-CB 3.99Å; W647-R655 WeakPolarHBondContact O-CD 3.12Å; W647-R655 VanDerWaalsContact O-CG 3.22Å; W647-R655 WeakPolarHBondContact O-CG 3.44Å; W647-Y658 HydrophobicContact CB-CD1 4.01Å; W647-Y658 HydrophobicContact CB-CE1 4.09Å; W647-Y658 HydrophobicContact CB-CG 4.22Å; W647-Y658 AromaticContact CD1-CE1 3.56Å; W647-Y658 AromaticContact CD2-CD1 3.42Å; W647-Y658 HydrophobicContact CD2-CD1 3.42Å; W647-Y658 VanDerWaalsContact CD2-CD1 3.42Å; W647-Y658 AromaticContact CD2-CE1 3.6Å; W647-Y658 HydrophobicContact CD2-CE1 3.6Å; W647-Y658 HydrophobicContact CD2-CG 4.35Å; W647-Y658 AromaticContact CE2-CD1 3.92Å; W647-Y658 AromaticContact CE2-CE1 3.74Å; W647-Y658 AromaticContact CE3-CD1 3.62Å; W647-Y658 HydrophobicContact CE3-CD1 3.62Å; W647-Y658 HydrophobicContact CE3-CE1 4.27Å; W647-Y658 HydrophobicContact CE3-CG 4.37Å; W647-Y658 AromaticContact CG-CD1 3.59Å; W647-Y658 HydrophobicContact CG-CD1 3.59Å; W647-Y658 AromaticContact CG-CE1 3.48Å; W647-Y658 HydrophobicContact CG-CE1 3.48Å; W647-Y658 VanDerWaalsContact CG-CE1 3.48Å; W647-Y658 HydrophobicContact CG-CG 4.29Å; W647-Y658 HydrophobicContact CZ2-CD1 4.49Å; W647-Y658 HydrophobicContact CZ2-CE1 4.46Å; W647-Y658 HydrophobicContact CZ3-CD1 4.21Å; W647-Y658 AromaticContact NE1-CE1 3.7Å; W647-S659 WeakPolarHBondContact CZ3-OG 3.35Å; W647-I664 HydrophobicContact CH2-CD1 4.47Å; W647-I664 HydrophobicContact CH2-CG2 4.49Å; W647-I664 HydrophobicContact CZ2-CD1 4.07Å; W647-F667 HydrophobicContact CH2-CB 4.41Å; W647-F667 AromaticContact CH2-CD2 3.76Å; W647-F667 HydrophobicContact CH2-CD2 3.76Å; W647-F667 HydrophobicContact CH2-CG 4.45Å; W647-F667 AromaticContact CZ2-CD2 3.9Å; W647-F667 HydrophobicContact CZ2-CD2 3.9Å; W647-F667 HydrophobicContact CZ2-CE2 4.3Å
648	R	89.9	Confident	69.4	Low	49 Å²	49	77.5 Å²	77.5	19%	0.185	41%	0.414	C	S	.	.	G	3₁₀ helix	trans	-64	-23.6	171.9	-65.6	-59.5	-55	141.1	-3.2	112.3	Q644 A645 E646 R655 D671	Q644-R648 WeakPolarHBondContact O-CG 3.19Å; A645-R648 PolarHBondContact O-N 3.1Å; E646-R648 PolarHBondContact O-N 3.37Å; R648-R655 VanDerWaalsContact NH1-CD 3.33Å; R648-R655 WeakPolarHBondContact O-CD 3.35Å; R648-R655 PolarHBondContact O-NH1 2.73Å; R648-D671 IonicContact CZ-OD1 2.81Å; R648-D671 IonicContact CZ-OD2 3.46Å; R648-D671 IonicContact NH1-OD1 3.33Å; R648-D671 PolarHBondContact NH1-OD1 3Å; R648-D671 IonicContact NH1-OD2 3.44Å; R648-D671 PolarHBondContact NH1-OD2 3.4Å; R648-D671 IonicContact NH2-OD1 2.83Å; R648-D671 PolarHBondContact NH2-OD1 2.75Å; R648-D671 IonicContact NH2-OD2 3.69Å
649	S	82.9	Confident	72.2	Confident	93 Å²	93	70.1 Å²	70.1	65%	0.65	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-82.7	-10.9	173.8	79.5	0	0	0	0	114.1	A645 E646 W647	A645-S649 PolarHBondContact O-N 3.13Å; E646-S649 WeakPolarHBondContact O-CA 3.47Å; E646-S649 WeakPolarHBondContact O-CB 3.39Å; E646-S649 PolarHBondContact O-N 3.26Å; E646-S649 PolarHBondContact O-OG 3.25Å; W647-S649 PolarHBondContact O-N 2.64Å
650	W	89.3	Confident	74.7	Confident	84 Å²	84	64.6 Å²	64.6	32%	0.318	34%	0.341	S	S	.	.	S	Bend	trans	-70.9	161.8	177.6	-59.1	-12.8	0	0	0	112	E646 W647 K654 R655 Y658	E646-W650 VanDerWaalsContact O-CD1 3.24Å; E646-W650 PolarHBondContact O-N 2.99Å; E646-W650 PolarHBondContact O-NE1 3.12Å; W647-W650 VanDerWaalsContact CA-CD2 3.47Å; W647-W650 HydrophobicContact CB-CD2 3.84Å; W647-W650 HydrophobicContact CB-CE3 3.62Å; W647-W650 HydrophobicContact CB-CH2 3.96Å; W647-W650 HydrophobicContact CB-CZ2 4.13Å; W647-W650 HydrophobicContact CB-CZ3 3.7Å; W647-W650 WeakPolarHBondContact O-CB 2.87Å; W647-W650 PolarHBondContact O-N 2.94Å; W650-K654 HydrophobicContact CB-CB 4.16Å; W650-K654 HydrophobicContact CB-CG 4.44Å; W650-K654 HydrophobicContact CD2-CG 4.19Å; W650-K654 HydrophobicContact CE3-CB 4.32Å; W650-K654 HydrophobicContact CE3-CG 3.59Å; W650-K654 HydrophobicContact CZ3-CG 4.21Å; W650-R655 HydrophobicContact CB-CG 4.1Å; W650-R655 VanDerWaalsContact O-CD 3.3Å; W650-R655 WeakPolarHBondContact O-CD 3.38Å; W650-R655 WeakPolarHBondContact O-CG 3.49Å; W650-R655 PolarHBondContact O-NH1 3.05Å; W650-Y658 HydrophobicContact CH2-CD2 4.04Å; W650-Y658 HydrophobicContact CH2-CE2 4.34Å; W650-Y658 AromaticContact CZ3-CD2 3.63Å; W650-Y658 HydrophobicContact CZ3-CD2 3.63Å; W650-Y658 HydrophobicContact CZ3-CE2 4.34Å; W650-Y658 AromaticContact CZ3-CG 3.97Å; W650-Y658 HydrophobicContact CZ3-CG 3.97Å
651	E	91.4	Very high	76.9	Confident	146 Å²	146	61.1 Å²	61.1	68%	0.682	31%	0.309	S	S	*	.			trans	-55.6	142.8	170.8	-68.7	-68	153.7	0	0	111.3	N653 K654 R655	E651-N653 VanDerWaalsContact C-N 3.26Å; E651-N653 PolarHBondContact O-N 2.54Å; E651-N653 VanDerWaalsContact O-N 3.09Å; E651-K654 WeakPolarHBondContact O-CA 3.43Å; E651-K654 WeakPolarHBondContact O-CB 3.49Å; E651-K654 PolarHBondContact O-N 3.26Å; E651-R655 WeakPolarHBondContact O-CG 3.36Å; E651-R655 PolarHBondContact O-N 3.17Å
652	V	93.3	Very high	79.3	Confident	2 Å²	2	61.4 Å²	61.4	1%	0.012	30%	0.304	C	S	.	.	H	α-helix	trans	-52.3	-40	-170.8	68.4	0	0	0	0	113.6	K654 R655 L656 D671 E674 A675	V652-K654 VanDerWaalsContact C-N 3.32Å; V652-K654 PolarHBondContact O-N 2.91Å; V652-R655 WeakPolarHBondContact O-CB 3.32Å; V652-R655 PolarHBondContact O-N 3.29Å; V652-R655 VanDerWaalsContact O-N 3.13Å; V652-L656 WeakPolarHBondContact O-CG 3.36Å; V652-L656 PolarHBondContact O-N 2.87Å; V652-D671 HydrophobicContact CG2-CB 4.12Å; V652-D671 WeakPolarHBondContact CG2-O 3.47Å; V652-E674 HydrophobicContact CB-CG 4.25Å; V652-E674 HydrophobicContact CG2-CB 3.94Å; V652-E674 HydrophobicContact CG2-CG 4.01Å; V652-A675 HydrophobicContact CG1-CB 4.25Å; V652-A675 HydrophobicContact CG2-CB 4.06Å
653	N	91	Very high	81.1	Confident	83 Å²	83	60.8 Å²	60.8	44%	0.444	30%	0.3	S	S	.	.	H	α-helix	trans	-62.5	-39.1	178.1	-67.8	-8.8	0	0	0	111.9	E651 R655 L656 E657 P689	E651-N653 VanDerWaalsContact C-N 3.26Å; E651-N653 PolarHBondContact O-N 2.54Å; E651-N653 VanDerWaalsContact O-N 3.09Å; N653-R655 VanDerWaalsContact C-N 3.35Å; N653-L656 PolarHBondContact O-N 2.83Å; N653-E657 PolarHBondContact O-N 2.64Å; N653-P689 HydrophobicContact CB-CB 3.92Å; N653-P689 WeakPolarHBondContact OD1-CB 3.42Å
654	K	89.7	Confident	83.2	Confident	93 Å²	93	56 Å²	56	40%	0.404	28%	0.279	S	S	.	.	H	α-helix	trans	-72.8	-30.1	176.8	-161	68	-177.8	168.6	0	111.7	W650 E651 V652 E657 Y658	W650-K654 HydrophobicContact CB-CB 4.16Å; W650-K654 HydrophobicContact CB-CG 4.44Å; W650-K654 HydrophobicContact CD2-CG 4.19Å; W650-K654 HydrophobicContact CE3-CB 4.32Å; W650-K654 HydrophobicContact CE3-CG 3.59Å; W650-K654 HydrophobicContact CZ3-CG 4.21Å; E651-K654 WeakPolarHBondContact O-CA 3.43Å; E651-K654 WeakPolarHBondContact O-CB 3.49Å; E651-K654 PolarHBondContact O-N 3.26Å; V652-K654 VanDerWaalsContact C-N 3.32Å; V652-K654 PolarHBondContact O-N 2.91Å; K654-E657 IonicContact NZ-OE1 2.74Å; K654-E657 PolarHBondContact NZ-OE1 2.78Å; K654-E657 IonicContact NZ-OE2 3.18Å; K654-E657 PolarHBondContact NZ-OE2 3.06Å; K654-Y658 VanDerWaalsContact O-CB 3.27Å; K654-Y658 WeakPolarHBondContact O-CB 3.28Å; K654-Y658 PolarHBondContact O-N 2.99Å
655	R	93.8	Very high	84.9	Confident	21 Å²	21	52 Å²	52	8%	0.079	26%	0.263	C	S	.	.	H	α-helix	trans	-68.5	-40.5	172.8	-55.3	-157.4	-60.3	-108.6	0.4	112.3	W647 R648 W650 E651 V652 N653 S659 D671 E674	W647-R655 HydrophobicContact CE3-CB 3.99Å; W647-R655 HydrophobicContact CE3-CG 4.22Å; W647-R655 HydrophobicContact CZ3-CB 3.99Å; W647-R655 WeakPolarHBondContact O-CD 3.12Å; W647-R655 VanDerWaalsContact O-CG 3.22Å; W647-R655 WeakPolarHBondContact O-CG 3.44Å; R648-R655 VanDerWaalsContact NH1-CD 3.33Å; R648-R655 WeakPolarHBondContact O-CD 3.35Å; R648-R655 PolarHBondContact O-NH1 2.73Å; W650-R655 HydrophobicContact CB-CG 4.1Å; W650-R655 VanDerWaalsContact O-CD 3.3Å; W650-R655 WeakPolarHBondContact O-CD 3.38Å; W650-R655 WeakPolarHBondContact O-CG 3.49Å; W650-R655 PolarHBondContact O-NH1 3.05Å; E651-R655 WeakPolarHBondContact O-CG 3.36Å; E651-R655 PolarHBondContact O-N 3.17Å; V652-R655 WeakPolarHBondContact O-CB 3.32Å; V652-R655 PolarHBondContact O-N 3.29Å; V652-R655 VanDerWaalsContact O-N 3.13Å; N653-R655 VanDerWaalsContact C-N 3.35Å; R655-S659 VanDerWaalsContact O-CB 3.31Å; R655-S659 WeakPolarHBondContact O-CB 3.27Å; R655-S659 PolarHBondContact O-N 3.28Å; R655-S659 PolarHBondContact O-OG 2.9Å; R655-D671 IonicContact CZ-OD1 3.68Å; R655-D671 IonicContact NE-OD1 2.99Å; R655-D671 PolarHBondContact NE-OD1 3.23Å; R655-D671 VanDerWaalsContact NE-OD1 3.07Å; R655-D671 IonicContact NE-OD2 3.1Å; R655-D671 IonicContact NH2-OD1 3.5Å; R655-D671 PolarHBondContact NH2-OD1 3.39Å; R655-D671 VanDerWaalsContact NH2-OD1 3.1Å; R655-E674 IonicContact CZ-OE1 2.96Å; R655-E674 IonicContact CZ-OE2 3.04Å; R655-E674 IonicContact NH1-OE1 3.54Å; R655-E674 IonicContact NH2-OE1 2.95Å; R655-E674 PolarHBondContact NH2-OE1 2.84Å; R655-E674 IonicContact NH2-OE2 3.83Å; R655-E674 PolarHBondContact NH2-OE2 3.48Å
656	L	92.4	Very high	86	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-63.2	-49.5	172.9	-72	175.8	0	0	0	111	V652 N653 Y658 S659 L660 I668 D671 A675 V685 P689 L690	V652-L656 WeakPolarHBondContact O-CG 3.36Å; V652-L656 PolarHBondContact O-N 2.87Å; N653-L656 PolarHBondContact O-N 2.83Å; L656-Y658 PolarHBondContact O-N 2.9Å; L656-S659 PolarHBondContact O-N 2.94Å; L656-L660 WeakPolarHBondContact O-CB 3.48Å; L656-L660 VanDerWaalsContact O-CG 3.31Å; L656-L660 WeakPolarHBondContact O-CG 3.37Å; L656-L660 PolarHBondContact O-N 3.33Å; L656-I668 HydrophobicContact CD2-CD1 3.7Å; L656-D671 HydrophobicContact CD2-CB 3.67Å; L656-D671 HydrophobicContact CG-CB 4.16Å; L656-A675 HydrophobicContact CD1-CB 3.67Å; L656-V685 HydrophobicContact CD1-CG1 4.46Å; L656-P689 HydrophobicContact CD1-CB 3.97Å; L656-P689 HydrophobicContact CD1-CG 4.03Å; L656-L690 HydrophobicContact CB-CD2 4.48Å; L656-L690 HydrophobicContact CD1-CD2 4.35Å; L656-L690 HydrophobicContact CD2-CD2 4.11Å
657	E	89.5	Confident	87	Confident	47 Å²	47	53.1 Å²	53.1	22%	0.22	26%	0.258	C	S	.	.	H	α-helix	trans	-55.1	-49.4	175.1	-169.1	-160.5	116.4	0	0	111.2	N653 K654 S659 L660 V661	N653-E657 PolarHBondContact O-N 2.64Å; K654-E657 IonicContact NZ-OE1 2.74Å; K654-E657 PolarHBondContact NZ-OE1 2.78Å; K654-E657 IonicContact NZ-OE2 3.18Å; K654-E657 PolarHBondContact NZ-OE2 3.06Å; E657-S659 PolarHBondContact O-N 3.18Å; E657-L660 PolarHBondContact O-N 2.95Å; E657-V661 WeakPolarHBondContact O-CB 3.33Å; E657-V661 VanDerWaalsContact O-CG2 3.29Å; E657-V661 WeakPolarHBondContact O-CG2 3.43Å; E657-V661 PolarHBondContact O-N 3.48Å
658	Y	88.5	Confident	87.4	Confident	42 Å²	42	52.8 Å²	52.8	17%	0.165	26%	0.256	C	S	.	.	H	α-helix	trans	-61.5	-44.5	177.8	-176.6	-95.6	0	0	0	112.6	W647 W650 K654 L656 L660 V661 K662 I664	W647-Y658 HydrophobicContact CB-CD1 4.01Å; W647-Y658 HydrophobicContact CB-CE1 4.09Å; W647-Y658 HydrophobicContact CB-CG 4.22Å; W647-Y658 AromaticContact CD1-CE1 3.56Å; W647-Y658 AromaticContact CD2-CD1 3.42Å; W647-Y658 HydrophobicContact CD2-CD1 3.42Å; W647-Y658 VanDerWaalsContact CD2-CD1 3.42Å; W647-Y658 AromaticContact CD2-CE1 3.6Å; W647-Y658 HydrophobicContact CD2-CE1 3.6Å; W647-Y658 HydrophobicContact CD2-CG 4.35Å; W647-Y658 AromaticContact CE2-CD1 3.92Å; W647-Y658 AromaticContact CE2-CE1 3.74Å; W647-Y658 AromaticContact CE3-CD1 3.62Å; W647-Y658 HydrophobicContact CE3-CD1 3.62Å; W647-Y658 HydrophobicContact CE3-CE1 4.27Å; W647-Y658 HydrophobicContact CE3-CG 4.37Å; W647-Y658 AromaticContact CG-CD1 3.59Å; W647-Y658 HydrophobicContact CG-CD1 3.59Å; W647-Y658 AromaticContact CG-CE1 3.48Å; W647-Y658 HydrophobicContact CG-CE1 3.48Å; W647-Y658 VanDerWaalsContact CG-CE1 3.48Å; W647-Y658 HydrophobicContact CG-CG 4.29Å; W647-Y658 HydrophobicContact CZ2-CD1 4.49Å; W647-Y658 HydrophobicContact CZ2-CE1 4.46Å; W647-Y658 HydrophobicContact CZ3-CD1 4.21Å; W647-Y658 AromaticContact NE1-CE1 3.7Å; W650-Y658 HydrophobicContact CH2-CD2 4.04Å; W650-Y658 HydrophobicContact CH2-CE2 4.34Å; W650-Y658 AromaticContact CZ3-CD2 3.63Å; W650-Y658 HydrophobicContact CZ3-CD2 3.63Å; W650-Y658 HydrophobicContact CZ3-CE2 4.34Å; W650-Y658 AromaticContact CZ3-CG 3.97Å; W650-Y658 HydrophobicContact CZ3-CG 3.97Å; K654-Y658 VanDerWaalsContact O-CB 3.27Å; K654-Y658 WeakPolarHBondContact O-CB 3.28Å; K654-Y658 PolarHBondContact O-N 2.99Å; L656-Y658 PolarHBondContact O-N 2.9Å; Y658-L660 VanDerWaalsContact C-N 3.32Å; Y658-L660 PolarHBondContact O-N 2.92Å; Y658-V661 PolarHBondContact O-N 3.22Å; Y658-K662 HydrophobicContact CD1-CG 4.28Å; Y658-K662 HydrophobicContact CD2-CG 4.11Å; Y658-K662 HydrophobicContact CE1-CB 4.48Å; Y658-K662 HydrophobicContact CE1-CG 3.97Å; Y658-K662 HydrophobicContact CE2-CG 3.82Å; Y658-K662 HydrophobicContact CG-CG 4.35Å; Y658-K662 VanDerWaalsContact O-CB 3.29Å; Y658-K662 WeakPolarHBondContact O-CB 3.42Å; Y658-K662 WeakPolarHBondContact O-CG 3.38Å; Y658-K662 PolarHBondContact O-N 3.12Å; Y658-I664 HydrophobicContact CD1-CD1 3.99Å; Y658-I664 HydrophobicContact CE1-CD1 3.61Å
659	S	90.3	Very high	87.5	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-63.4	-39	179	-60.8	0	0	0	0	111.8	W647 R655 L656 E657 G663 I664	W647-S659 WeakPolarHBondContact CZ3-OG 3.35Å; R655-S659 VanDerWaalsContact O-CB 3.31Å; R655-S659 WeakPolarHBondContact O-CB 3.27Å; R655-S659 PolarHBondContact O-N 3.28Å; R655-S659 PolarHBondContact O-OG 2.9Å; L656-S659 PolarHBondContact O-N 2.94Å; E657-S659 PolarHBondContact O-N 3.18Å; S659-G663 CarbonylContact O-C 3.19Å; S659-G663 WeakPolarHBondContact O-CA 3.41Å; S659-G663 PolarHBondContact O-N 3.46Å; S659-I664 PolarHBondContact O-N 3.31Å
660	L	88.1	Confident	87.9	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-66.3	-52.6	174.3	-71	167.1	0	0	0	111	L656 E657 Y658 K662 G663 L690 M694 S714 V717 M718	L656-L660 WeakPolarHBondContact O-CB 3.48Å; L656-L660 VanDerWaalsContact O-CG 3.31Å; L656-L660 WeakPolarHBondContact O-CG 3.37Å; L656-L660 PolarHBondContact O-N 3.33Å; E657-L660 PolarHBondContact O-N 2.95Å; Y658-L660 VanDerWaalsContact C-N 3.32Å; Y658-L660 PolarHBondContact O-N 2.92Å; L660-K662 VanDerWaalsContact C-N 3.27Å; L660-K662 PolarHBondContact O-N 3.4Å; L660-G663 PolarHBondContact O-N 2.97Å; L660-L690 HydrophobicContact CD1-CB 4.46Å; L660-L690 HydrophobicContact CD1-CD2 3.97Å; L660-L690 VanDerWaalsContact CD1-O 3.25Å; L660-L690 WeakPolarHBondContact CD1-O 3.4Å; L660-M694 HydrophobicContact CB-SD 4.45Å; L660-M694 HydrophobicContact CD1-CG 4.45Å; L660-M694 HydrophobicContact CD1-SD 4.48Å; L660-M694 HydrophobicContact CD2-SD 3.81Å; L660-M694 HydrophobicContact CG-SD 4.48Å; L660-S714 WeakPolarHBondContact O-CB 3.14Å; L660-S714 PolarHBondContact O-OG 3.49Å; L660-V717 HydrophobicContact CD2-CB 4.09Å; L660-V717 HydrophobicContact CD2-CG1 3.86Å; L660-V717 HydrophobicContact CG-CG1 4.43Å; L660-M718 HydrophobicContact CD2-CB 3.8Å; L660-M718 HydrophobicContact CD2-SD 4.4Å
661	V	83.1	Confident	88.1	Confident	27 Å²	27	51.8 Å²	51.8	16%	0.164	25%	0.247	C	C	.	.	H	α-helix	trans	-61.4	-34.4	-179.2	172.2	0	0	0	0	112.2	E657 Y658 V696 V697 L700 M706	E657-V661 WeakPolarHBondContact O-CB 3.33Å; E657-V661 VanDerWaalsContact O-CG2 3.29Å; E657-V661 WeakPolarHBondContact O-CG2 3.43Å; E657-V661 PolarHBondContact O-N 3.48Å; Y658-V661 PolarHBondContact O-N 3.22Å; V661-V696 HydrophobicContact CG2-CB 4.16Å; V661-V696 HydrophobicContact CG2-CG1 3.72Å; V661-V697 HydrophobicContact CG2-CG2 4.15Å; V661-L700 HydrophobicContact CG1-CD1 4Å; V661-M706 VanDerWaalsContact O-CE 3.25Å; V661-M706 WeakPolarHBondContact O-CE 3.35Å
662	K	82.4	Confident	88.3	Confident	133 Å²	133	44.9 Å²	44.9	58%	0.578	22%	0.215	S	C	*	.	H	α-helix	trans	-94.6	-5.9	179.7	-61.1	-60.1	-175.9	-178.2	0	114.5	Y658 L660 I664	Y658-K662 HydrophobicContact CD1-CG 4.28Å; Y658-K662 HydrophobicContact CD2-CG 4.11Å; Y658-K662 HydrophobicContact CE1-CB 4.48Å; Y658-K662 HydrophobicContact CE1-CG 3.97Å; Y658-K662 HydrophobicContact CE2-CG 3.82Å; Y658-K662 HydrophobicContact CG-CG 4.35Å; Y658-K662 VanDerWaalsContact O-CB 3.29Å; Y658-K662 WeakPolarHBondContact O-CB 3.42Å; Y658-K662 WeakPolarHBondContact O-CG 3.38Å; Y658-K662 PolarHBondContact O-N 3.12Å; L660-K662 VanDerWaalsContact C-N 3.27Å; L660-K662 PolarHBondContact O-N 3.4Å; K662-I664 HydrophobicContact CB-CD1 3.82Å; K662-I664 HydrophobicContact CB-CG1 3.88Å
663	G	78.9	Confident	88.3	Confident	10 Å²	10	46.3 Å²	46.3	10%	0.103	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.5	33.1	179.7	0	0	0	0	0	114.9	S659 L660	S659-G663 CarbonylContact O-C 3.19Å; S659-G663 WeakPolarHBondContact O-CA 3.41Å; S659-G663 PolarHBondContact O-N 3.46Å; L660-G663 PolarHBondContact O-N 2.97Å
664	I	81.9	Confident	88.4	Confident	39 Å²	39	45.3 Å²	45.3	20%	0.2	21%	0.214	C	C	.	.			trans	-89.8	121.5	-176.1	-56.9	170.8	0	0	0	111.1	W647 Y658 S659 K662 E666 V717	W647-I664 HydrophobicContact CH2-CD1 4.47Å; W647-I664 HydrophobicContact CH2-CG2 4.49Å; W647-I664 HydrophobicContact CZ2-CD1 4.07Å; Y658-I664 HydrophobicContact CD1-CD1 3.99Å; Y658-I664 HydrophobicContact CE1-CD1 3.61Å; S659-I664 PolarHBondContact O-N 3.31Å; K662-I664 HydrophobicContact CB-CD1 3.82Å; K662-I664 HydrophobicContact CB-CG1 3.88Å; I664-E666 HydrophobicContact CG2-CB 4.43Å; I664-V717 WeakPolarHBondContact O-CG1 3.37Å; I664-V717 WeakPolarHBondContact O-CG2 3.31Å
665	T	81.5	Confident	88.6	Confident	49 Å²	49	41 Å²	41	30%	0.301	20%	0.196	S	C	.	.			trans	-97.6	-20.7	178.1	52.8	0	0	0	0	114.3	F667 I668 V717	T665-F667 VanDerWaalsContact C-N 3.27Å; T665-F667 PolarHBondContact O-N 3.44Å; T665-F667 VanDerWaalsContact O-N 3.11Å; T665-I668 WeakPolarHBondContact O-CG2 3.35Å; T665-I668 PolarHBondContact O-N 2.81Å; T665-V717 HydrophobicContact CG2-CG2 3.86Å
666	E	80.3	Confident	88.6	Confident	139 Å²	139	42.6 Å²	42.6	65%	0.65	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-29.8	-167.6	-170.3	176.8	179.4	0	0	114.7	I664	I664-E666 HydrophobicContact CG2-CB 4.43Å
667	F	87.8	Confident	88.5	Confident	51 Å²	51	49 Å²	49	22%	0.224	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.7	5.1	-176.7	-56.4	-70.5	0	0	0	114	W647 T665 E669 Q670 D671	W647-F667 HydrophobicContact CH2-CB 4.41Å; W647-F667 AromaticContact CH2-CD2 3.76Å; W647-F667 HydrophobicContact CH2-CD2 3.76Å; W647-F667 HydrophobicContact CH2-CG 4.45Å; W647-F667 AromaticContact CZ2-CD2 3.9Å; W647-F667 HydrophobicContact CZ2-CD2 3.9Å; W647-F667 HydrophobicContact CZ2-CE2 4.3Å; T665-F667 VanDerWaalsContact C-N 3.27Å; T665-F667 PolarHBondContact O-N 3.44Å; T665-F667 VanDerWaalsContact O-N 3.11Å; F667-E669 PolarHBondContact O-N 2.78Å; F667-Q670 PolarHBondContact O-N 2.72Å; F667-D671 PolarHBondContact O-N 3.2Å
668	I	90.5	Very high	88.5	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-65.4	-41.5	-166.9	-166.6	61.7	0	0	0	112.5	L656 T665 Q670 T672 V717 Q720 A721	L656-I668 HydrophobicContact CD2-CD1 3.7Å; T665-I668 WeakPolarHBondContact O-CG2 3.35Å; T665-I668 PolarHBondContact O-N 2.81Å; I668-Q670 PolarHBondContact O-N 3.21Å; I668-T672 WeakPolarHBondContact O-CB 3.41Å; I668-T672 PolarHBondContact O-N 3.42Å; I668-T672 PolarHBondContact O-OG1 2.96Å; I668-V717 HydrophobicContact CB-CG1 4.18Å; I668-V717 HydrophobicContact CD1-CG1 3.48Å; I668-V717 VanDerWaalsContact CD1-CG1 3.48Å; I668-V717 HydrophobicContact CG1-CG1 3.62Å; I668-Q720 HydrophobicContact CG2-CB 4.18Å; I668-Q720 VanDerWaalsContact CG2-CD 3.47Å; I668-Q720 HydrophobicContact CG2-CG 3.86Å; I668-A721 HydrophobicContact CD1-CB 4.21Å; I668-A721 HydrophobicContact CG1-CB 3.83Å
669	E	90.6	Very high	88.4	Confident	94 Å²	94	51.6 Å²	51.6	44%	0.439	25%	0.25	S	S	.	.	H	α-helix	trans	-65.4	-40.2	178.3	-69.1	175.6	-165.2	0	0	111.6	F667 T672 E673 Q720 Y724	F667-E669 PolarHBondContact O-N 2.78Å; E669-T672 PolarHBondContact O-N 2.84Å; E669-E673 WeakPolarHBondContact O-CB 3.41Å; E669-E673 PolarHBondContact O-N 2.91Å; E669-Q720 PolarHBondContact OE1-NE2 2.73Å; E669-Y724 HydrophobicContact CB-CD2 4.01Å; E669-Y724 HydrophobicContact CB-CE2 4.29Å; E669-Y724 HydrophobicContact CB-CG 4.46Å; E669-Y724 HydrophobicContact CG-CD2 3.92Å; E669-Y724 HydrophobicContact CG-CG 4.34Å
670	Q	91.2	Very high	88	Confident	112 Å²	112	57.8 Å²	57.8	52%	0.523	29%	0.288	S	S	.	.	H	α-helix	trans	-64.3	-50.2	178	-179.2	-176.2	-12.2	0	0	111.5	F667 I668 T672 E673 E674	F667-Q670 PolarHBondContact O-N 2.72Å; I668-Q670 PolarHBondContact O-N 3.21Å; Q670-T672 VanDerWaalsContact C-N 3.32Å; Q670-E673 PolarHBondContact O-N 3.47Å; Q670-E674 PolarHBondContact O-N 3.11Å
671	D	94.8	Very high	87.8	Confident	0 Å²	0	63 Å²	63	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-68.7	-33.6	179.9	-69.4	-27.4	0	0	0	111.5	R648 V652 R655 L656 F667 E674 A675	R648-D671 IonicContact CZ-OD1 2.81Å; R648-D671 IonicContact CZ-OD2 3.46Å; R648-D671 IonicContact NH1-OD1 3.33Å; R648-D671 PolarHBondContact NH1-OD1 3Å; R648-D671 IonicContact NH1-OD2 3.44Å; R648-D671 PolarHBondContact NH1-OD2 3.4Å; R648-D671 IonicContact NH2-OD1 2.83Å; R648-D671 PolarHBondContact NH2-OD1 2.75Å; R648-D671 IonicContact NH2-OD2 3.69Å; V652-D671 HydrophobicContact CG2-CB 4.12Å; V652-D671 WeakPolarHBondContact CG2-O 3.47Å; R655-D671 IonicContact CZ-OD1 3.68Å; R655-D671 IonicContact NE-OD1 2.99Å; R655-D671 PolarHBondContact NE-OD1 3.23Å; R655-D671 VanDerWaalsContact NE-OD1 3.07Å; R655-D671 IonicContact NE-OD2 3.1Å; R655-D671 IonicContact NH2-OD1 3.5Å; R655-D671 PolarHBondContact NH2-OD1 3.39Å; R655-D671 VanDerWaalsContact NH2-OD1 3.1Å; L656-D671 HydrophobicContact CD2-CB 3.67Å; L656-D671 HydrophobicContact CG-CB 4.16Å; F667-D671 PolarHBondContact O-N 3.2Å; D671-E674 PolarHBondContact O-N 2.86Å; D671-A675 WeakPolarHBondContact O-CB 3.5Å; D671-A675 PolarHBondContact O-N 3.44Å
672	T	94.2	Very high	87.9	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-65.6	-42.3	175	-59.6	0	0	0	0	111.4	I668 E669 Q670 A675 R676 A721 Y724 L725	I668-T672 WeakPolarHBondContact O-CB 3.41Å; I668-T672 PolarHBondContact O-N 3.42Å; I668-T672 PolarHBondContact O-OG1 2.96Å; E669-T672 PolarHBondContact O-N 2.84Å; Q670-T672 VanDerWaalsContact C-N 3.32Å; T672-A675 PolarHBondContact O-N 3.37Å; T672-R676 VanDerWaalsContact O-CB 3.3Å; T672-R676 WeakPolarHBondContact O-CB 3.15Å; T672-R676 PolarHBondContact O-N 2.93Å; T672-A721 HydrophobicContact CG2-CB 4.32Å; T672-A721 WeakPolarHBondContact OG1-CB 3.5Å; T672-Y724 HydrophobicContact CG2-CD1 3.92Å; T672-L725 HydrophobicContact CG2-CD1 3.78Å; T672-L725 HydrophobicContact CG2-CD2 3.74Å; T672-L725 HydrophobicContact CG2-CG 3.53Å
673	E	94.2	Very high	88	Confident	33 Å²	33	57 Å²	57	15%	0.154	28%	0.282	C	S	.	.	H	α-helix	trans	-64	-42.8	174.4	177.7	53.6	-156	0	0	112.1	E669 Q670 R676 Q677 Y724	E669-E673 WeakPolarHBondContact O-CB 3.41Å; E669-E673 PolarHBondContact O-N 2.91Å; Q670-E673 PolarHBondContact O-N 3.47Å; E673-R676 WeakPolarHBondContact O-CB 3.42Å; E673-R676 PolarHBondContact O-N 3.18Å; E673-R676 IonicContact OE1-CZ 3.63Å; E673-R676 IonicContact OE1-NE 3.56Å; E673-R676 IonicContact OE1-NH2 3.52Å; E673-R676 PolarHBondContact OE1-NH2 3.12Å; E673-R676 IonicContact OE2-CZ 3.78Å; E673-R676 IonicContact OE2-NE 2.86Å; E673-R676 PolarHBondContact OE2-NE 3.19Å; E673-R676 IonicContact OE2-NH2 3.89Å; E673-Q677 WeakPolarHBondContact O-CG 3.31Å; E673-Q677 PolarHBondContact O-N 3.22Å; E673-Q677 PolarHBondContact OE1-NE2 2.97Å; E673-Y724 HydrophobicContact CB-CE1 3.73Å; E673-Y724 WeakPolarHBondContact CB-OH 3.17Å; E673-Y724 HydrophobicContact CG-CE1 4.5Å; E673-Y724 WeakPolarHBondContact OE2-CE1 3.41Å; E673-Y724 PolarHBondContact OE2-OH 3.17Å; E673-Y724 VanDerWaalsContact OE2-OH 3.08Å
674	E	93.8	Very high	88.2	Confident	61 Å²	61	59.2 Å²	59.2	29%	0.285	29%	0.29	S	S	.	.	H	α-helix	trans	-62	-44.6	176.6	-176.6	177.6	149	0	0	111.3	V652 R655 Q670 D671 R676 Q677 Q678	V652-E674 HydrophobicContact CB-CG 4.25Å; V652-E674 HydrophobicContact CG2-CB 3.94Å; V652-E674 HydrophobicContact CG2-CG 4.01Å; R655-E674 IonicContact CZ-OE1 2.96Å; R655-E674 IonicContact CZ-OE2 3.04Å; R655-E674 IonicContact NH1-OE1 3.54Å; R655-E674 IonicContact NH2-OE1 2.95Å; R655-E674 PolarHBondContact NH2-OE1 2.84Å; R655-E674 IonicContact NH2-OE2 3.83Å; R655-E674 PolarHBondContact NH2-OE2 3.48Å; Q670-E674 PolarHBondContact O-N 3.11Å; D671-E674 PolarHBondContact O-N 2.86Å; E674-R676 PolarHBondContact O-N 2.67Å; E674-Q677 PolarHBondContact O-N 2.83Å; E674-Q678 WeakPolarHBondContact O-CG 3.42Å; E674-Q678 PolarHBondContact O-N 3.28Å
675	A	93.8	Very high	88.5	Confident	3 Å²	3	57.4 Å²	57.4	3%	0.025	28%	0.281	C	S	.	.	H	α-helix	trans	-63.8	-39.2	174.3	0	0	0	0	0	112.1	V652 L656 D671 T672 Q677 Q678 A679 V685	V652-A675 HydrophobicContact CG1-CB 4.25Å; V652-A675 HydrophobicContact CG2-CB 4.06Å; L656-A675 HydrophobicContact CD1-CB 3.67Å; D671-A675 WeakPolarHBondContact O-CB 3.5Å; D671-A675 PolarHBondContact O-N 3.44Å; T672-A675 PolarHBondContact O-N 3.37Å; A675-Q677 VanDerWaalsContact C-N 3.29Å; A675-Q677 PolarHBondContact O-N 2.93Å; A675-Q678 PolarHBondContact O-N 2.67Å; A675-Q678 VanDerWaalsContact O-N 3.12Å; A675-A679 WeakPolarHBondContact O-CB 3.4Å; A675-A679 PolarHBondContact O-N 3.45Å; A675-V685 HydrophobicContact CB-CG1 3.8Å; A675-V685 HydrophobicContact CB-CG2 4.31Å
676	R	93	Very high	88.5	Confident	55 Å²	55	56.2 Å²	56.2	21%	0.208	27%	0.272	C	S	.	.	H	α-helix	trans	-62.2	-34.9	175.6	-166.7	-159.2	65.6	68.9	2.7	112.6	T672 E673 E674 Q678 P682 V685 L725	T672-R676 VanDerWaalsContact O-CB 3.3Å; T672-R676 WeakPolarHBondContact O-CB 3.15Å; T672-R676 PolarHBondContact O-N 2.93Å; E673-R676 WeakPolarHBondContact O-CB 3.42Å; E673-R676 PolarHBondContact O-N 3.18Å; E673-R676 IonicContact OE1-CZ 3.63Å; E673-R676 IonicContact OE1-NE 3.56Å; E673-R676 IonicContact OE1-NH2 3.52Å; E673-R676 PolarHBondContact OE1-NH2 3.12Å; E673-R676 IonicContact OE2-CZ 3.78Å; E673-R676 IonicContact OE2-NE 2.86Å; E673-R676 PolarHBondContact OE2-NE 3.19Å; E673-R676 IonicContact OE2-NH2 3.89Å; E674-R676 PolarHBondContact O-N 2.67Å; R676-Q678 VanDerWaalsContact C-N 3.33Å; R676-P682 HydrophobicContact CG-CB 4.3Å; R676-P682 HydrophobicContact CG-CG 4.44Å; R676-V685 HydrophobicContact CB-CG2 4.25Å; R676-L725 HydrophobicContact CB-CD2 3.91Å; R676-L725 HydrophobicContact CG-CD2 3.72Å
677	Q	90.1	Very high	88.5	Confident	135 Å²	135	53.6 Å²	53.6	63%	0.631	26%	0.26	S	S	*	.	H	α-helix	trans	-71.9	-28	175.1	-70.8	176.2	14.3	0	0	112.9	E673 E674 A675	E673-Q677 WeakPolarHBondContact O-CG 3.31Å; E673-Q677 PolarHBondContact O-N 3.22Å; E673-Q677 PolarHBondContact OE1-NE2 2.97Å; E674-Q677 PolarHBondContact O-N 2.83Å; A675-Q677 VanDerWaalsContact C-N 3.29Å; A675-Q677 PolarHBondContact O-N 2.93Å
678	Q	90.2	Very high	88.3	Confident	113 Å²	113	52.1 Å²	52.1	53%	0.528	26%	0.259	S	S	.	.	H	α-helix	trans	-85.1	-25.7	177.3	-65.7	179.6	15.9	0	0	112.9	E674 A675 R676	E674-Q678 WeakPolarHBondContact O-CG 3.42Å; E674-Q678 PolarHBondContact O-N 3.28Å; A675-Q678 PolarHBondContact O-N 2.67Å; A675-Q678 VanDerWaalsContact O-N 3.12Å; R676-Q678 VanDerWaalsContact C-N 3.33Å
679	A	85.3	Confident	88.2	Confident	29 Å²	29	52.8 Å²	52.8	24%	0.24	26%	0.263	C	S	.	.	S	Bend	trans	-78.5	150.1	177.2	0	0	0	0	0	112.4	A675 R681 E684 V685	A675-A679 WeakPolarHBondContact O-CB 3.4Å; A675-A679 PolarHBondContact O-N 3.45Å; A679-R681 VanDerWaalsContact C-N 3.33Å; A679-E684 HydrophobicContact CB-CB 4.29Å; A679-V685 HydrophobicContact CB-CG2 3.67Å
680	T	82.9	Confident	88.1	Confident	130 Å²	130	48.3 Å²	48.3	80%	0.798	24%	0.242	S	C	*	.	S	Bend	trans	-74.7	-32.6	176.6	-41.1	0	0	0	0	110.5	E684	T680-E684 WeakPolarHBondContact CB-OE2 3.24Å; T680-E684 PolarHBondContact N-OE2 3.18Å
681	R	83.5	Confident	87.7	Confident	110 Å²	110	43.5 Å²	43.5	42%	0.415	22%	0.22	S	C	.	.	S	Bend	trans	-135.3	138.3	-178.3	-64.9	176.1	-72.7	157.6	9	110.1	A679 I683 E684 E734	A679-R681 VanDerWaalsContact C-N 3.33Å; R681-I683 HydrophobicContact CB-CG2 4.18Å; R681-I683 PolarHBondContact O-N 2.98Å; R681-I683 VanDerWaalsContact O-N 3.17Å; R681-E684 HydrophobicContact CB-CG 4.03Å; R681-E684 IonicContact CZ-OE1 2.68Å; R681-E684 PolarHBondContact N-OE2 3.26Å; R681-E684 VanDerWaalsContact N-OE2 3.16Å; R681-E684 IonicContact NE-OE1 3.66Å; R681-E684 PolarHBondContact NE-OE1 2.98Å; R681-E684 IonicContact NH2-OE1 2.66Å; R681-E684 PolarHBondContact NH2-OE1 2.82Å; R681-E684 WeakPolarHBondContact O-CB 3.23Å; R681-E684 PolarHBondContact O-N 2.99Å; R681-E734 WeakPolarHBondContact CD-OE1 3.11Å; R681-E734 VanDerWaalsContact CG-OE1 3.25Å; R681-E734 WeakPolarHBondContact CG-OE1 3.37Å
682	P	84.3	Confident	87.2	Confident	20 Å²	20	47.8 Å²	47.8	13%	0.13	24%	0.243	C	C	.	.	H	α-helix	trans	-55.6	-34.7	179.8	-26.4	34.9	0	0	0	113.9	R676 E684 V685 F728 I729	R676-P682 HydrophobicContact CG-CB 4.3Å; R676-P682 HydrophobicContact CG-CG 4.44Å; P682-E684 PolarHBondContact O-N 2.89Å; P682-V685 WeakPolarHBondContact O-CB 3.43Å; P682-V685 PolarHBondContact O-N 3.19Å; P682-V685 VanDerWaalsContact O-N 3.16Å; P682-F728 HydrophobicContact CB-CB 4.04Å; P682-F728 HydrophobicContact CG-CB 3.82Å; P682-I729 HydrophobicContact CB-CG1 3.86Å
683	I	84.6	Confident	86.9	Confident	15 Å²	15	47.8 Å²	47.8	8%	0.077	24%	0.243	C	C	.	.	H	α-helix	trans	-63.7	-26.8	178.5	-161.3	64.7	0	0	0	112.9	R681 V685 I686 E687 I729 E734	R681-I683 HydrophobicContact CB-CG2 4.18Å; R681-I683 PolarHBondContact O-N 2.98Å; R681-I683 VanDerWaalsContact O-N 3.17Å; I683-V685 PolarHBondContact O-N 3Å; I683-I686 HydrophobicContact CD1-CD1 4.23Å; I683-I686 PolarHBondContact O-N 3.39Å; I683-I686 VanDerWaalsContact O-N 3.11Å; I683-E687 HydrophobicContact CG1-CG 4.32Å; I683-E687 PolarHBondContact O-N 2.89Å; I683-I729 HydrophobicContact CD1-CD1 4.1Å; I683-E734 HydrophobicContact CG2-CB 4.41Å; I683-E734 WeakPolarHBondContact CG2-OE2 3.5Å
684	E	83.1	Confident	86.5	Confident	56 Å²	56	46.3 Å²	46.3	26%	0.262	24%	0.236	S	C	.	.	H	α-helix	trans	-67.9	-23	178	-66.9	169.7	171.8	0	0	112.1	A679 T680 R681 P682 G688	A679-E684 HydrophobicContact CB-CB 4.29Å; T680-E684 WeakPolarHBondContact CB-OE2 3.24Å; T680-E684 PolarHBondContact N-OE2 3.18Å; R681-E684 HydrophobicContact CB-CG 4.03Å; R681-E684 IonicContact CZ-OE1 2.68Å; R681-E684 PolarHBondContact N-OE2 3.26Å; R681-E684 VanDerWaalsContact N-OE2 3.16Å; R681-E684 IonicContact NE-OE1 3.66Å; R681-E684 PolarHBondContact NE-OE1 2.98Å; R681-E684 IonicContact NH2-OE1 2.66Å; R681-E684 PolarHBondContact NH2-OE1 2.82Å; R681-E684 WeakPolarHBondContact O-CB 3.23Å; R681-E684 PolarHBondContact O-N 2.99Å; P682-E684 PolarHBondContact O-N 2.89Å; E684-G688 WeakPolarHBondContact O-CA 3.32Å; E684-G688 PolarHBondContact O-N 3.43Å
685	V	88.4	Confident	85.8	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.006	24%	0.239	C	C	.	.	H	α-helix	trans	-70.9	-38.5	172.8	-174.8	0	0	0	0	110.5	L656 A675 R676 A679 P682 I683 P689 L690 L725	L656-V685 HydrophobicContact CD1-CG1 4.46Å; A675-V685 HydrophobicContact CB-CG1 3.8Å; A675-V685 HydrophobicContact CB-CG2 4.31Å; R676-V685 HydrophobicContact CB-CG2 4.25Å; A679-V685 HydrophobicContact CB-CG2 3.67Å; P682-V685 WeakPolarHBondContact O-CB 3.43Å; P682-V685 PolarHBondContact O-N 3.19Å; P682-V685 VanDerWaalsContact O-N 3.16Å; I683-V685 PolarHBondContact O-N 3Å; V685-P689 HydrophobicContact CG1-CG 4.08Å; V685-P689 VanDerWaalsContact O-CD 3.28Å; V685-P689 WeakPolarHBondContact O-CD 3.31Å; V685-P689 WeakPolarHBondContact O-CG 3.4Å; V685-L690 HydrophobicContact CG1-CD1 4.21Å; V685-L690 HydrophobicContact CG1-CG 4.3Å; V685-L690 WeakPolarHBondContact O-CB 3.35Å; V685-L690 WeakPolarHBondContact O-CG 3.4Å; V685-L690 PolarHBondContact O-N 3.28Å; V685-L690 VanDerWaalsContact O-N 3.13Å; V685-L725 HydrophobicContact CB-CD1 3.9Å; V685-L725 HydrophobicContact CG1-CD1 3.97Å
686	I	83.2	Confident	85.2	Confident	23 Å²	23	48.5 Å²	48.5	12%	0.118	25%	0.251	C	S	.	.	I	π-helix	trans	-68.1	-58.5	175.1	-59.2	-177.2	0	0	0	109.4	I683 G688 L690 M691 M718 V722 L725 I729	I683-I686 HydrophobicContact CD1-CD1 4.23Å; I683-I686 PolarHBondContact O-N 3.39Å; I683-I686 VanDerWaalsContact O-N 3.11Å; I686-G688 PolarHBondContact O-N 3.03Å; I686-L690 HydrophobicContact CG1-CD1 4.24Å; I686-M691 VanDerWaalsContact O-CB 3.29Å; I686-M691 WeakPolarHBondContact O-CB 3.2Å; I686-M691 WeakPolarHBondContact O-CG 3.36Å; I686-M691 PolarHBondContact O-N 2.95Å; I686-M718 HydrophobicContact CG2-CE 4.21Å; I686-V722 HydrophobicContact CD1-CB 4.45Å; I686-V722 HydrophobicContact CD1-CG1 4.04Å; I686-V722 HydrophobicContact CD1-CG2 4.05Å; I686-V722 HydrophobicContact CG1-CG2 4.29Å; I686-L725 HydrophobicContact CD1-CD1 4.18Å; I686-L725 HydrophobicContact CG1-CD1 3.6Å; I686-I729 HydrophobicContact CD1-CD1 3.45Å; I686-I729 VanDerWaalsContact CD1-CD1 3.45Å; I686-I729 HydrophobicContact CG1-CD1 4.5Å
687	E	79.9	Confident	84.6	Confident	84 Å²	84	45.9 Å²	45.9	39%	0.393	24%	0.241	S	C	.	.	I	π-helix	trans	-67.9	-17.7	-176	-65.2	-177.2	157.4	0	0	114	I683 G736 K737	I683-E687 HydrophobicContact CG1-CG 4.32Å; I683-E687 PolarHBondContact O-N 2.89Å; E687-G736 VanDerWaalsContact OE1-CA 3.22Å; E687-G736 WeakPolarHBondContact OE1-CA 3.4Å; E687-K737 PolarHBondContact OE1-N 3.5Å
688	G	83.6	Confident	83.8	Confident	20 Å²	20	39.8 Å²	39.8	21%	0.206	22%	0.215	C	C	.	.	I	π-helix	trans	-102.3	-108.4	176.9	0	0	0	0	0	112.2	E684 I686 L690 M691 D692	E684-G688 WeakPolarHBondContact O-CA 3.32Å; E684-G688 PolarHBondContact O-N 3.43Å; I686-G688 PolarHBondContact O-N 3.03Å; G688-L690 VanDerWaalsContact C-N 3.3Å; G688-L690 PolarHBondContact O-N 2.89Å; G688-L690 VanDerWaalsContact O-N 3.15Å; G688-M691 PolarHBondContact O-N 3.16Å; G688-D692 PolarHBondContact O-N 3.11Å
689	P	88	Confident	83.1	Confident	14 Å²	14	39.2 Å²	39.2	9%	0.091	22%	0.215	C	C	.	.	I	π-helix	trans	-58.5	-35	-166.3	23.1	-34.7	0	0	0	114.7	N653 L656 V685 G693	N653-P689 HydrophobicContact CB-CB 3.92Å; N653-P689 WeakPolarHBondContact OD1-CB 3.42Å; L656-P689 HydrophobicContact CD1-CB 3.97Å; L656-P689 HydrophobicContact CD1-CG 4.03Å; V685-P689 HydrophobicContact CG1-CG 4.08Å; V685-P689 VanDerWaalsContact O-CD 3.28Å; V685-P689 WeakPolarHBondContact O-CD 3.31Å; V685-P689 WeakPolarHBondContact O-CG 3.4Å; P689-G693 PolarHBondContact O-N 2.88Å; P689-G693 VanDerWaalsContact O-N 3.16Å
690	L	88.6	Confident	82.7	Confident	0 Å²	0	40 Å²	40	0%	0	22%	0.215	C	C	.	.	I	π-helix	trans	-70	-45.3	177	-68.2	177.1	0	0	0	111.4	L656 L660 V685 I686 G688 G693 M694 M718 A721 L725	L656-L690 HydrophobicContact CB-CD2 4.48Å; L656-L690 HydrophobicContact CD1-CD2 4.35Å; L656-L690 HydrophobicContact CD2-CD2 4.11Å; L660-L690 HydrophobicContact CD1-CB 4.46Å; L660-L690 HydrophobicContact CD1-CD2 3.97Å; L660-L690 VanDerWaalsContact CD1-O 3.25Å; L660-L690 WeakPolarHBondContact CD1-O 3.4Å; V685-L690 HydrophobicContact CG1-CD1 4.21Å; V685-L690 HydrophobicContact CG1-CG 4.3Å; V685-L690 WeakPolarHBondContact O-CB 3.35Å; V685-L690 WeakPolarHBondContact O-CG 3.4Å; V685-L690 PolarHBondContact O-N 3.28Å; V685-L690 VanDerWaalsContact O-N 3.13Å; I686-L690 HydrophobicContact CG1-CD1 4.24Å; G688-L690 VanDerWaalsContact C-N 3.3Å; G688-L690 PolarHBondContact O-N 2.89Å; G688-L690 VanDerWaalsContact O-N 3.15Å; L690-G693 PolarHBondContact O-N 3.26Å; L690-M694 WeakPolarHBondContact O-CG 3.31Å; L690-M694 PolarHBondContact O-N 2.58Å; L690-M718 HydrophobicContact CB-CE 4.01Å; L690-M718 HydrophobicContact CB-SD 3.74Å; L690-M718 HydrophobicContact CD1-SD 4.39Å; L690-M718 HydrophobicContact CD2-SD 4.47Å; L690-M718 HydrophobicContact CG-SD 4.42Å; L690-A721 HydrophobicContact CD1-CB 3.76Å; L690-A721 HydrophobicContact CD2-CB 3.76Å; L690-A721 HydrophobicContact CG-CB 4.46Å; L690-L725 HydrophobicContact CD1-CD1 4.07Å
691	M	83.5	Confident	82.2	Confident	11 Å²	11	34.9 Å²	34.9	5%	0.054	18%	0.182	C	C	.	.	H	α-helix	trans	-67	-37.6	175.6	-86	-48.8	-43	0	0	113.1	I686 G688 G693 M694 N695 M718 N767	I686-M691 VanDerWaalsContact O-CB 3.29Å; I686-M691 WeakPolarHBondContact O-CB 3.2Å; I686-M691 WeakPolarHBondContact O-CG 3.36Å; I686-M691 PolarHBondContact O-N 2.95Å; G688-M691 PolarHBondContact O-N 3.16Å; M691-G693 VanDerWaalsContact C-N 3.29Å; M691-G693 PolarHBondContact O-N 3.31Å; M691-M694 HydrophobicContact CE-CB 4.19Å; M691-M694 PolarHBondContact O-N 3.41Å; M691-M694 VanDerWaalsContact O-N 3.15Å; M691-N695 WeakPolarHBondContact O-CB 3.38Å; M691-N695 VanDerWaalsContact O-CG 3.23Å; M691-N695 PolarHBondContact O-N 2.83Å; M691-N695 PolarHBondContact O-ND2 2.87Å; M691-M718 HydrophobicContact SD-CE 4.19Å; M691-N767 HydrophobicContact CE-CB 3.43Å; M691-N767 VanDerWaalsContact CE-CB 3.43Å; M691-N767 HydrophobicContact SD-CB 3.89Å
692	D	83.3	Confident	81.2	Confident	91 Å²	91	32.9 Å²	32.9	49%	0.487	20%	0.195	S	C	.	.	H	α-helix	trans	-58.1	-44.5	174.2	-70.9	-25	0	0	0	110.6	G688 N695 V696	G688-D692 PolarHBondContact O-N 3.11Å; D692-N695 PolarHBondContact O-N 2.89Å; D692-V696 WeakPolarHBondContact O-CG2 3.34Å; D692-V696 PolarHBondContact O-N 2.97Å; D692-V696 VanDerWaalsContact O-N 3.17Å
693	G	86.9	Confident	80.4	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-62.5	-41.5	173.2	0	0	0	0	0	113.7	P689 L690 M691 V696 V697	P689-G693 PolarHBondContact O-N 2.88Å; P689-G693 VanDerWaalsContact O-N 3.16Å; L690-G693 PolarHBondContact O-N 3.26Å; M691-G693 VanDerWaalsContact C-N 3.29Å; M691-G693 PolarHBondContact O-N 3.31Å; G693-V696 PolarHBondContact O-N 3.34Å; G693-V697 WeakPolarHBondContact O-CG2 3.42Å; G693-V697 PolarHBondContact O-N 2.97Å
694	M	85.8	Confident	79.4	Confident	2 Å²	2	39 Å²	39	1%	0.01	23%	0.233	C	C	.	.	H	α-helix	trans	-70.3	-33.2	178.2	-68.8	-49.9	-62.7	0	0	113.3	L660 L690 M691 V696 V697 G698 M718 C765	L660-M694 HydrophobicContact CB-SD 4.45Å; L660-M694 HydrophobicContact CD1-CG 4.45Å; L660-M694 HydrophobicContact CD1-SD 4.48Å; L660-M694 HydrophobicContact CD2-SD 3.81Å; L660-M694 HydrophobicContact CG-SD 4.48Å; L690-M694 WeakPolarHBondContact O-CG 3.31Å; L690-M694 PolarHBondContact O-N 2.58Å; M691-M694 HydrophobicContact CE-CB 4.19Å; M691-M694 PolarHBondContact O-N 3.41Å; M691-M694 VanDerWaalsContact O-N 3.15Å; M694-V696 VanDerWaalsContact C-N 3.34Å; M694-V697 HydrophobicContact CE-CB 4.46Å; M694-V697 HydrophobicContact CE-CG1 4.29Å; M694-V697 WeakPolarHBondContact O-CB 3.38Å; M694-V697 PolarHBondContact O-N 3.29Å; M694-G698 PolarHBondContact O-N 3.26Å; M694-M718 HydrophobicContact CG-CB 4.27Å; M694-M718 HydrophobicContact CG-CE 4.3Å; M694-M718 HydrophobicContact CG-CG 3.93Å; M694-M718 HydrophobicContact CG-SD 3.79Å; M694-M718 HydrophobicContact SD-CB 3.83Å; M694-M718 HydrophobicContact SD-CG 4.15Å; M694-C765 VanDerWaalsContact CE-CA 3.46Å; M694-C765 HydrophobicContact CE-CB 3.43Å; M694-C765 VanDerWaalsContact CE-CB 3.43Å; M694-C765 WeakPolarHBondContact CE-SG 3.45Å
695	N	80	Confident	78.7	Confident	63 Å²	63	43 Å²	43	34%	0.337	25%	0.25	S	C	.	.	H	α-helix	trans	-62.9	-42.5	172.1	-70.5	-29.4	0	0	0	110.7	M691 D692 V697 G698 D699	M691-N695 WeakPolarHBondContact O-CB 3.38Å; M691-N695 VanDerWaalsContact O-CG 3.23Å; M691-N695 PolarHBondContact O-N 2.83Å; M691-N695 PolarHBondContact O-ND2 2.87Å; D692-N695 PolarHBondContact O-N 2.89Å; N695-V697 VanDerWaalsContact C-N 3.33Å; N695-V697 PolarHBondContact O-N 3.13Å; N695-G698 PolarHBondContact O-N 3.01Å; N695-G698 VanDerWaalsContact O-N 3.16Å; N695-D699 WeakPolarHBondContact O-CB 3.22Å; N695-D699 PolarHBondContact O-N 3.21Å
696	V	82.1	Confident	78	Confident	47 Å²	47	43.3 Å²	43.3	29%	0.285	25%	0.251	S	S	.	.	H	α-helix	trans	-60.6	-42.3	173.3	176.1	0	0	0	0	111.2	V661 D692 G693 M694 G698 D699 L700	V661-V696 HydrophobicContact CG2-CB 4.16Å; V661-V696 HydrophobicContact CG2-CG1 3.72Å; D692-V696 WeakPolarHBondContact O-CG2 3.34Å; D692-V696 PolarHBondContact O-N 2.97Å; D692-V696 VanDerWaalsContact O-N 3.17Å; G693-V696 PolarHBondContact O-N 3.34Å; M694-V696 VanDerWaalsContact C-N 3.34Å; V696-G698 VanDerWaalsContact C-N 3.35Å; V696-G698 PolarHBondContact O-N 3.22Å; V696-D699 PolarHBondContact O-N 3.37Å; V696-L700 HydrophobicContact CG1-CD1 3.87Å; V696-L700 HydrophobicContact CG1-CG 4.23Å; V696-L700 WeakPolarHBondContact O-CB 3.26Å; V696-L700 WeakPolarHBondContact O-CG 3.41Å; V696-L700 PolarHBondContact O-N 2.98Å
697	V	79.4	Confident	77.8	Confident	0 Å²	0	44 Å²	44	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-59.9	-44.4	173.8	168.6	0	0	0	0	111.3	V661 G693 M694 N695 F701 M706 V711	V661-V697 HydrophobicContact CG2-CG2 4.15Å; G693-V697 WeakPolarHBondContact O-CG2 3.42Å; G693-V697 PolarHBondContact O-N 2.97Å; M694-V697 HydrophobicContact CE-CB 4.46Å; M694-V697 HydrophobicContact CE-CG1 4.29Å; M694-V697 WeakPolarHBondContact O-CB 3.38Å; M694-V697 PolarHBondContact O-N 3.29Å; N695-V697 VanDerWaalsContact C-N 3.33Å; N695-V697 PolarHBondContact O-N 3.13Å; V697-F701 WeakPolarHBondContact O-CB 2.92Å; V697-F701 PolarHBondContact O-N 2.69Å; V697-M706 HydrophobicContact CB-SD 4.19Å; V697-M706 HydrophobicContact CG1-CE 4.17Å; V697-M706 HydrophobicContact CG1-SD 3.79Å; V697-M706 HydrophobicContact CG2-CE 4.15Å; V697-M706 HydrophobicContact CG2-SD 4.18Å; V697-V711 HydrophobicContact CG1-CG1 4.31Å; V697-V711 HydrophobicContact CG1-CG2 4.29Å
698	G	73.5	Confident	77.7	Confident	7 Å²	7	40.2 Å²	40.2	7%	0.072	24%	0.236	C	C	.	.	H	α-helix	trans	-61.7	-45.7	176.8	0	0	0	0	0	112.9	M694 N695 V696 F701 G702	M694-G698 PolarHBondContact O-N 3.26Å; N695-G698 PolarHBondContact O-N 3.01Å; N695-G698 VanDerWaalsContact O-N 3.16Å; V696-G698 VanDerWaalsContact C-N 3.35Å; V696-G698 PolarHBondContact O-N 3.22Å; G698-F701 PolarHBondContact O-N 3.47Å; G698-G702 PolarHBondContact O-N 3.31Å
699	D	75.1	Confident	77.3	Confident	101 Å²	101	39.3 Å²	39.3	54%	0.54	23%	0.227	S	C	.	.	H	α-helix	trans	-63.9	-48	177.3	-71.6	-21.4	0	0	0	111	N695 V696 F701 G702 E703	N695-D699 WeakPolarHBondContact O-CB 3.22Å; N695-D699 PolarHBondContact O-N 3.21Å; V696-D699 PolarHBondContact O-N 3.37Å; D699-F701 VanDerWaalsContact C-N 3.32Å; D699-F701 PolarHBondContact O-N 2.85Å; D699-G702 PolarHBondContact O-N 2.63Å; D699-E703 WeakPolarHBondContact O-CB 3.26Å; D699-E703 VanDerWaalsContact O-CG 3.27Å; D699-E703 WeakPolarHBondContact O-CG 3.02Å; D699-E703 PolarHBondContact O-N 3.01Å
700	L	77.6	Confident	76.9	Confident	44 Å²	44	40.9 Å²	40.9	23%	0.23	23%	0.233	C	C	.	.	H	α-helix	trans	-61.9	-38.8	177.7	-68.9	172.3	0	0	0	112.1	V661 V696 G704 K705 M706	V661-L700 HydrophobicContact CG1-CD1 4Å; V696-L700 HydrophobicContact CG1-CD1 3.87Å; V696-L700 HydrophobicContact CG1-CG 4.23Å; V696-L700 WeakPolarHBondContact O-CB 3.26Å; V696-L700 WeakPolarHBondContact O-CG 3.41Å; V696-L700 PolarHBondContact O-N 2.98Å; L700-G704 PolarHBondContact O-N 2.62Å; L700-K705 HydrophobicContact CB-CB 4.41Å; L700-K705 HydrophobicContact CD2-CB 3.95Å; L700-K705 HydrophobicContact CD2-CD 3.91Å; L700-K705 WeakPolarHBondContact O-CA 3.33Å; L700-K705 PolarHBondContact O-N 3.44Å; L700-M706 HydrophobicContact CB-CB 3.69Å; L700-M706 HydrophobicContact CB-SD 4.3Å; L700-M706 HydrophobicContact CD1-SD 4.46Å; L700-M706 PolarHBondContact O-N 3.28Å
701	F	73	Confident	76.5	Confident	23 Å²	23	41 Å²	41	10%	0.101	23%	0.233	C	C	.	.	H	α-helix	trans	-69.1	-41.8	175.2	-178.3	-121.2	0	0	0	111.9	V697 G698 D699 E703 G704 M706 L708 V711 V762 S854	V697-F701 WeakPolarHBondContact O-CB 2.92Å; V697-F701 PolarHBondContact O-N 2.69Å; G698-F701 PolarHBondContact O-N 3.47Å; D699-F701 VanDerWaalsContact C-N 3.32Å; D699-F701 PolarHBondContact O-N 2.85Å; F701-E703 VanDerWaalsContact C-N 3.31Å; F701-E703 PolarHBondContact O-N 2.93Å; F701-G704 PolarHBondContact O-N 2.79Å; F701-G704 VanDerWaalsContact O-N 3.11Å; F701-M706 WeakPolarHBondContact CD2-O 3.44Å; F701-L708 HydrophobicContact CE2-CB 4.32Å; F701-L708 HydrophobicContact CZ-CD1 4.46Å; F701-V711 HydrophobicContact CB-CG2 3.76Å; F701-V711 HydrophobicContact CD1-CG2 4.39Å; F701-V711 HydrophobicContact CD2-CG2 3.57Å; F701-V711 HydrophobicContact CE2-CG2 4.22Å; F701-V711 HydrophobicContact CG-CG2 3.67Å; F701-V762 HydrophobicContact CD1-CG1 4.31Å; F701-V762 HydrophobicContact CE1-CG1 3.72Å; F701-V762 HydrophobicContact CE1-CG2 4.04Å; F701-V762 HydrophobicContact CZ-CG2 4.3Å; F701-S854 VanDerWaalsContact CZ-CB 3.46Å
702	G	61.2	Low	76.3	Confident	68 Å²	68	40.4 Å²	40.4	70%	0.701	23%	0.231	S	C	*	.	H	α-helix	trans	-63.9	-34.3	176.1	0	0	0	0	0	113.4	G698 D699 G704	G698-G702 PolarHBondContact O-N 3.31Å; D699-G702 PolarHBondContact O-N 2.63Å; G702-G704 VanDerWaalsContact C-N 3.29Å
703	E	68.7	Low	76.1	Confident	121 Å²	121	38.1 Å²	38.1	57%	0.565	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-8.9	174.1	-70.3	179.1	179.4	0	0	113.5	D699 F701 K705	D699-E703 WeakPolarHBondContact O-CB 3.26Å; D699-E703 VanDerWaalsContact O-CG 3.27Å; D699-E703 WeakPolarHBondContact O-CG 3.02Å; D699-E703 PolarHBondContact O-N 3.01Å; F701-E703 VanDerWaalsContact C-N 3.31Å; F701-E703 PolarHBondContact O-N 2.93Å; E703-K705 VanDerWaalsContact C-N 3.28Å; E703-K705 HydrophobicContact CB-CD 4.36Å; E703-K705 HydrophobicContact CB-CG 4.2Å; E703-K705 PolarHBondContact O-N 3.11Å; E703-K705 VanDerWaalsContact OE2-CD 3.29Å; E703-K705 WeakPolarHBondContact OE2-CD 3.47Å; E703-K705 WeakPolarHBondContact OE2-CE 3.29Å; E703-K705 IonicContact OE2-NZ 2.73Å; E703-K705 PolarHBondContact OE2-NZ 2.85Å
704	G	63.1	Low	76	Confident	43 Å²	43	38.1 Å²	38.1	44%	0.443	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.6	13.1	-175.4	0	0	0	0	0	114.7	L700 F701 G702	L700-G704 PolarHBondContact O-N 2.62Å; F701-G704 PolarHBondContact O-N 2.79Å; F701-G704 VanDerWaalsContact O-N 3.11Å; G702-G704 VanDerWaalsContact C-N 3.29Å
705	K	68.2	Low	75.7	Confident	139 Å²	139	38.2 Å²	38.2	60%	0.604	22%	0.218	S	C	*	.	S	Bend	trans	-84.5	-15.6	176	-67.5	179.4	-177.5	159.6	0	113.5	L700 E703	L700-K705 HydrophobicContact CB-CB 4.41Å; L700-K705 HydrophobicContact CD2-CB 3.95Å; L700-K705 HydrophobicContact CD2-CD 3.91Å; L700-K705 WeakPolarHBondContact O-CA 3.33Å; L700-K705 PolarHBondContact O-N 3.44Å; E703-K705 VanDerWaalsContact C-N 3.28Å; E703-K705 HydrophobicContact CB-CD 4.36Å; E703-K705 HydrophobicContact CB-CG 4.2Å; E703-K705 PolarHBondContact O-N 3.11Å; E703-K705 VanDerWaalsContact OE2-CD 3.29Å; E703-K705 WeakPolarHBondContact OE2-CD 3.47Å; E703-K705 WeakPolarHBondContact OE2-CE 3.29Å; E703-K705 IonicContact OE2-NZ 2.73Å; E703-K705 PolarHBondContact OE2-NZ 2.85Å
706	M	74.2	Confident	75.7	Confident	8 Å²	8	37.5 Å²	37.5	4%	0.039	21%	0.21	C	C	.	.	S	Bend	trans	-126	141.9	176.1	-169.2	171.2	-163.2	0	0	108.7	V661 V697 L700 F701 Q710 V711 S714	V661-M706 VanDerWaalsContact O-CE 3.25Å; V661-M706 WeakPolarHBondContact O-CE 3.35Å; V697-M706 HydrophobicContact CB-SD 4.19Å; V697-M706 HydrophobicContact CG1-CE 4.17Å; V697-M706 HydrophobicContact CG1-SD 3.79Å; V697-M706 HydrophobicContact CG2-CE 4.15Å; V697-M706 HydrophobicContact CG2-SD 4.18Å; L700-M706 HydrophobicContact CB-CB 3.69Å; L700-M706 HydrophobicContact CB-SD 4.3Å; L700-M706 HydrophobicContact CD1-SD 4.46Å; L700-M706 PolarHBondContact O-N 3.28Å; F701-M706 WeakPolarHBondContact CD2-O 3.44Å; M706-Q710 HydrophobicContact CE-CB 3.55Å; M706-Q710 HydrophobicContact CG-CB 3.7Å; M706-Q710 HydrophobicContact SD-CB 4.47Å; M706-V711 HydrophobicContact CG-CG2 4.13Å; M706-V711 HydrophobicContact SD-CG2 4.3Å; M706-S714 WeakPolarHBondContact CE-OG 3.45Å
707	F	78.2	Confident	75.7	Confident	38 Å²	38	35.3 Å²	35.3	17%	0.167	20%	0.197	C	C	.	.			trans	-106	159.4	-176.7	-56.1	-74.7	0	0	0	111.5	P709 Q710 V711 L949 V961 V962 E965	F707-P709 VanDerWaalsContact C-CD 3.45Å; F707-P709 VanDerWaalsContact C-N 3.35Å; F707-Q710 WeakPolarHBondContact O-CA 3.45Å; F707-Q710 WeakPolarHBondContact O-CB 3.42Å; F707-Q710 PolarHBondContact O-N 2.92Å; F707-V711 PolarHBondContact O-N 3.03Å; F707-V711 VanDerWaalsContact O-N 3.11Å; F707-L949 HydrophobicContact CB-CD2 3.72Å; F707-L949 HydrophobicContact CD1-CD2 4.08Å; F707-L949 HydrophobicContact CG-CD2 3.98Å; F707-V961 HydrophobicContact CE1-CG1 4.07Å; F707-V961 VanDerWaalsContact CE2-O 3.28Å; F707-V961 WeakPolarHBondContact CE2-O 3.23Å; F707-V961 HydrophobicContact CZ-CG1 3.64Å; F707-V961 WeakPolarHBondContact CZ-O 3.31Å; F707-V962 HydrophobicContact CD1-CG1 3.85Å; F707-V962 HydrophobicContact CE1-CG1 3.48Å; F707-V962 VanDerWaalsContact CE1-CG1 3.48Å; F707-V962 HydrophobicContact CE2-CG1 4.47Å; F707-V962 HydrophobicContact CZ-CG1 3.83Å; F707-E965 HydrophobicContact CD2-CB 4.24Å; F707-E965 HydrophobicContact CD2-CG 3.89Å
708	L	77.4	Confident	76.1	Confident	4 Å²	4	36.5 Å²	36.5	2%	0.021	20%	0.203	C	C	.	.	H	α-helix	trans	-53.3	-41.3	-173.9	179.5	64.9	0	0	0	114.2	F701 Q710 V711 V712 I758 V762 W947	F701-L708 HydrophobicContact CE2-CB 4.32Å; F701-L708 HydrophobicContact CZ-CD1 4.46Å; L708-Q710 PolarHBondContact O-N 3.06Å; L708-V711 PolarHBondContact O-N 3.36Å; L708-V712 HydrophobicContact CD1-CG2 3.95Å; L708-V712 HydrophobicContact CG-CG2 4.23Å; L708-V712 VanDerWaalsContact O-CG2 3.31Å; L708-V712 WeakPolarHBondContact O-CG2 3.19Å; L708-V712 PolarHBondContact O-N 2.83Å; L708-I758 HydrophobicContact CD1-CG2 3.71Å; L708-I758 HydrophobicContact CD2-CD1 4.06Å; L708-I758 HydrophobicContact CD2-CG1 4.25Å; L708-I758 HydrophobicContact CD2-CG2 3.46Å; L708-I758 VanDerWaalsContact CD2-CG2 3.46Å; L708-I758 HydrophobicContact CG-CG2 4.19Å; L708-V762 HydrophobicContact CD1-CG2 3.64Å; L708-W947 WeakPolarHBondContact CB-O 3.44Å; L708-W947 HydrophobicContact CG-CE3 4.48Å
709	P	76.6	Confident	76.5	Confident	2 Å²	2	38.5 Å²	38.5	1%	0.013	21%	0.209	C	C	.	.	H	α-helix	trans	-55.2	-39.4	174.6	-27	35.4	0	0	0	113.7	F707 K713 W947 L949 L969 Y1076	F707-P709 VanDerWaalsContact C-CD 3.45Å; F707-P709 VanDerWaalsContact C-N 3.35Å; P709-K713 WeakPolarHBondContact O-CG 3.28Å; P709-K713 PolarHBondContact O-N 3.41Å; P709-K713 VanDerWaalsContact O-N 3.09Å; P709-W947 HydrophobicContact CB-CE3 4.08Å; P709-W947 HydrophobicContact CB-CZ3 4.37Å; P709-W947 HydrophobicContact CG-CB 4.09Å; P709-W947 HydrophobicContact CG-CD2 4.18Å; P709-W947 HydrophobicContact CG-CE3 3.75Å; P709-W947 HydrophobicContact CG-CG 4.36Å; P709-L949 HydrophobicContact CG-CD1 4.23Å; P709-L949 HydrophobicContact CG-CG 4.47Å; P709-L969 HydrophobicContact CB-CD1 4.24Å; P709-L969 HydrophobicContact CG-CD1 4.23Å; P709-L969 HydrophobicContact CG-CD2 4.04Å; P709-Y1076 HydrophobicContact CB-CE2 4.49Å
710	Q	79.2	Confident	76.9	Confident	46 Å²	46	36.4 Å²	36.4	22%	0.215	20%	0.196	C	C	.	.	H	α-helix	trans	-70.2	-44.4	178.7	-59	173.1	-53.8	0	0	110.5	M706 F707 L708 V712 K713 S714 E965	M706-Q710 HydrophobicContact CE-CB 3.55Å; M706-Q710 HydrophobicContact CG-CB 3.7Å; M706-Q710 HydrophobicContact SD-CB 4.47Å; F707-Q710 WeakPolarHBondContact O-CA 3.45Å; F707-Q710 WeakPolarHBondContact O-CB 3.42Å; F707-Q710 PolarHBondContact O-N 2.92Å; L708-Q710 PolarHBondContact O-N 3.06Å; Q710-V712 VanDerWaalsContact C-N 3.29Å; Q710-V712 PolarHBondContact O-N 3.46Å; Q710-K713 CarbonylContact O-C 3.22Å; Q710-K713 WeakPolarHBondContact O-CB 3.22Å; Q710-K713 PolarHBondContact O-N 3.43Å; Q710-K713 VanDerWaalsContact O-N 3.1Å; Q710-S714 PolarHBondContact O-N 3.47Å; Q710-S714 PolarHBondContact O-OG 2.92Å; Q710-S714 VanDerWaalsContact O-OG 3.1Å; Q710-E965 VanDerWaalsContact CD-CD 3.43Å; Q710-E965 HydrophobicContact CG-CG 4.22Å; Q710-E965 WeakPolarHBondContact CG-OE2 3.14Å; Q710-E965 PolarHBondContact NE2-OE1 3.28Å
711	V	79.5	Confident	77.5	Confident	2 Å²	2	34.3 Å²	34.3	1%	0.012	19%	0.185	C	C	.	.	H	α-helix	trans	-57.2	-43.8	176.4	177.7	0	0	0	0	111.2	V697 F701 M706 F707 L708 S714 A715 V762 C765	V697-V711 HydrophobicContact CG1-CG1 4.31Å; V697-V711 HydrophobicContact CG1-CG2 4.29Å; F701-V711 HydrophobicContact CB-CG2 3.76Å; F701-V711 HydrophobicContact CD1-CG2 4.39Å; F701-V711 HydrophobicContact CD2-CG2 3.57Å; F701-V711 HydrophobicContact CE2-CG2 4.22Å; F701-V711 HydrophobicContact CG-CG2 3.67Å; M706-V711 HydrophobicContact CG-CG2 4.13Å; M706-V711 HydrophobicContact SD-CG2 4.3Å; F707-V711 PolarHBondContact O-N 3.03Å; F707-V711 VanDerWaalsContact O-N 3.11Å; L708-V711 PolarHBondContact O-N 3.36Å; V711-S714 WeakPolarHBondContact O-CB 3.47Å; V711-S714 PolarHBondContact O-N 2.89Å; V711-A715 PolarHBondContact O-N 3.06Å; V711-V762 HydrophobicContact CG1-CG2 4.43Å; V711-C765 HydrophobicContact CG1-CB 4.35Å; V711-C765 VanDerWaalsContact CG1-SG 3.55Å
712	V	79.3	Confident	78.1	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-66.7	-37.9	177.9	-179.4	0	0	0	0	111.3	L708 Q710 A715 R716 V761 W947 D1075 Y1076 I1079	L708-V712 HydrophobicContact CD1-CG2 3.95Å; L708-V712 HydrophobicContact CG-CG2 4.23Å; L708-V712 VanDerWaalsContact O-CG2 3.31Å; L708-V712 WeakPolarHBondContact O-CG2 3.19Å; L708-V712 PolarHBondContact O-N 2.83Å; Q710-V712 VanDerWaalsContact C-N 3.29Å; Q710-V712 PolarHBondContact O-N 3.46Å; V712-A715 PolarHBondContact O-N 3.4Å; V712-R716 PolarHBondContact O-N 3.11Å; V712-V761 HydrophobicContact CB-CG1 4.31Å; V712-V761 HydrophobicContact CG1-CG1 4.42Å; V712-V761 HydrophobicContact CG2-CG1 3.96Å; V712-W947 HydrophobicContact CB-CZ3 4.25Å; V712-W947 HydrophobicContact CG2-CZ3 4.12Å; V712-D1075 HydrophobicContact CG1-CB 4.25Å; V712-Y1076 HydrophobicContact CB-CD2 4.42Å; V712-Y1076 VanDerWaalsContact CG1-CA 3.48Å; V712-Y1076 HydrophobicContact CG1-CD2 4.18Å; V712-I1079 HydrophobicContact CG1-CD1 4.18Å; V712-I1079 HydrophobicContact CG2-CD1 4.37Å
713	K	79.6	Confident	79.2	Confident	42 Å²	42	33.3 Å²	33.3	18%	0.183	17%	0.171	C	C	.	.	H	α-helix	trans	-64.5	-40.6	172.6	-75.2	-179.2	-178.8	-179.6	0	112.1	P709 Q710 R716 V717 D972 Y1076	P709-K713 WeakPolarHBondContact O-CG 3.28Å; P709-K713 PolarHBondContact O-N 3.41Å; P709-K713 VanDerWaalsContact O-N 3.09Å; Q710-K713 CarbonylContact O-C 3.22Å; Q710-K713 WeakPolarHBondContact O-CB 3.22Å; Q710-K713 PolarHBondContact O-N 3.43Å; Q710-K713 VanDerWaalsContact O-N 3.1Å; K713-R716 WeakPolarHBondContact O-CB 3.4Å; K713-R716 PolarHBondContact O-N 2.92Å; K713-V717 PolarHBondContact O-N 3.17Å; K713-D972 IonicContact NZ-OD2 2.66Å; K713-D972 PolarHBondContact NZ-OD2 3.3Å; K713-Y1076 HydrophobicContact CD-CE2 4.4Å; K713-Y1076 VanDerWaalsContact CE-CZ 3.43Å; K713-Y1076 HydrophobicContact CG-CD2 3.75Å; K713-Y1076 HydrophobicContact CG-CE2 4.08Å; K713-Y1076 HydrophobicContact CG-CG 4.06Å
714	S	83.9	Confident	80.1	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-62.5	-43.4	175.3	-60.6	0	0	0	0	112.2	L660 M706 Q710 V711 R716 V717 M718	L660-S714 WeakPolarHBondContact O-CB 3.14Å; L660-S714 PolarHBondContact O-OG 3.49Å; M706-S714 WeakPolarHBondContact CE-OG 3.45Å; Q710-S714 PolarHBondContact O-N 3.47Å; Q710-S714 PolarHBondContact O-OG 2.92Å; Q710-S714 VanDerWaalsContact O-OG 3.1Å; V711-S714 WeakPolarHBondContact O-CB 3.47Å; V711-S714 PolarHBondContact O-N 2.89Å; S714-R716 VanDerWaalsContact C-N 3.27Å; S714-R716 PolarHBondContact O-N 3.22Å; S714-V717 WeakPolarHBondContact O-CB 3.44Å; S714-V717 PolarHBondContact O-N 2.71Å; S714-V717 VanDerWaalsContact O-N 3.13Å; S714-M718 PolarHBondContact O-N 3.08Å
715	A	79.9	Confident	81.3	Confident	5 Å²	5	28.8 Å²	28.8	4%	0.041	14%	0.136	C	C	.	.	H	α-helix	trans	-60.7	-36.6	177	0	0	0	0	0	112.7	V711 V712 M718 K719 V761	V711-A715 PolarHBondContact O-N 3.06Å; V712-A715 PolarHBondContact O-N 3.4Å; A715-M718 WeakPolarHBondContact O-CB 2.94Å; A715-M718 PolarHBondContact O-N 3.42Å; A715-K719 WeakPolarHBondContact O-CG 3.45Å; A715-K719 PolarHBondContact O-N 3.44Å; A715-V761 HydrophobicContact CB-CG1 3.5Å
716	R	79.3	Confident	82	Confident	48 Å²	48	27.3 Å²	27.3	18%	0.181	13%	0.131	C	C	.	.	H	α-helix	trans	-61.2	-46.9	172.8	177.7	-178.8	68.8	-174.8	2.1	111.9	V712 K713 S714 M718 K719 Q720 D1074	V712-R716 PolarHBondContact O-N 3.11Å; K713-R716 WeakPolarHBondContact O-CB 3.4Å; K713-R716 PolarHBondContact O-N 2.92Å; S714-R716 VanDerWaalsContact C-N 3.27Å; S714-R716 PolarHBondContact O-N 3.22Å; R716-M718 VanDerWaalsContact C-N 3.3Å; R716-M718 PolarHBondContact O-N 2.74Å; R716-K719 PolarHBondContact O-N 3.33Å; R716-Q720 PolarHBondContact O-N 2.9Å; R716-D1074 VanDerWaalsContact CD-OD1 3.22Å; R716-D1074 WeakPolarHBondContact CD-OD1 3.37Å; R716-D1074 IonicContact NH1-OD1 2.83Å; R716-D1074 PolarHBondContact NH1-OD1 3.41Å
717	V	83.2	Confident	82.4	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-60	-43.4	176.6	179.4	0	0	0	0	110.5	L660 I664 T665 I668 K713 S714 Q720 A721	L660-V717 HydrophobicContact CD2-CB 4.09Å; L660-V717 HydrophobicContact CD2-CG1 3.86Å; L660-V717 HydrophobicContact CG-CG1 4.43Å; I664-V717 WeakPolarHBondContact O-CG1 3.37Å; I664-V717 WeakPolarHBondContact O-CG2 3.31Å; T665-V717 HydrophobicContact CG2-CG2 3.86Å; I668-V717 HydrophobicContact CB-CG1 4.18Å; I668-V717 HydrophobicContact CD1-CG1 3.48Å; I668-V717 VanDerWaalsContact CD1-CG1 3.48Å; I668-V717 HydrophobicContact CG1-CG1 3.62Å; K713-V717 PolarHBondContact O-N 3.17Å; S714-V717 WeakPolarHBondContact O-CB 3.44Å; S714-V717 PolarHBondContact O-N 2.71Å; S714-V717 VanDerWaalsContact O-N 3.13Å; V717-Q720 PolarHBondContact O-N 2.99Å; V717-A721 PolarHBondContact O-N 2.94Å; V717-A721 VanDerWaalsContact O-N 3.08Å
718	M	86.9	Confident	82.8	Confident	26 Å²	26	32.3 Å²	32.3	13%	0.128	16%	0.161	C	C	.	.	H	α-helix	trans	-58.9	-50	175.3	-179.8	61.1	176.2	0	0	112.1	L660 I686 L690 M691 M694 S714 A715 R716 Q720 A721 V722	L660-M718 HydrophobicContact CD2-CB 3.8Å; L660-M718 HydrophobicContact CD2-SD 4.4Å; I686-M718 HydrophobicContact CG2-CE 4.21Å; L690-M718 HydrophobicContact CB-CE 4.01Å; L690-M718 HydrophobicContact CB-SD 3.74Å; L690-M718 HydrophobicContact CD1-SD 4.39Å; L690-M718 HydrophobicContact CD2-SD 4.47Å; L690-M718 HydrophobicContact CG-SD 4.42Å; M691-M718 HydrophobicContact SD-CE 4.19Å; M694-M718 HydrophobicContact CG-CB 4.27Å; M694-M718 HydrophobicContact CG-CE 4.3Å; M694-M718 HydrophobicContact CG-CG 3.93Å; M694-M718 HydrophobicContact CG-SD 3.79Å; M694-M718 HydrophobicContact SD-CB 3.83Å; M694-M718 HydrophobicContact SD-CG 4.15Å; S714-M718 PolarHBondContact O-N 3.08Å; A715-M718 WeakPolarHBondContact O-CB 2.94Å; A715-M718 PolarHBondContact O-N 3.42Å; R716-M718 VanDerWaalsContact C-N 3.3Å; R716-M718 PolarHBondContact O-N 2.74Å; M718-Q720 VanDerWaalsContact C-N 3.32Å; M718-Q720 PolarHBondContact O-N 3.38Å; M718-A721 PolarHBondContact O-N 3.01Å; M718-V722 HydrophobicContact CE-CG2 3.92Å; M718-V722 WeakPolarHBondContact O-CG2 3.43Å; M718-V722 PolarHBondContact O-N 3.11Å; M718-V722 HydrophobicContact SD-CG2 4.24Å
719	K	83.1	Confident	83	Confident	49 Å²	49	33.3 Å²	33.3	21%	0.213	17%	0.166	C	C	.	.	H	α-helix	trans	-61	-40.1	179.1	-76.3	-176.9	177.8	177.8	0	112.1	A715 R716 V722 A723 H1073 D1075	A715-K719 WeakPolarHBondContact O-CG 3.45Å; A715-K719 PolarHBondContact O-N 3.44Å; R716-K719 PolarHBondContact O-N 3.33Å; K719-V722 PolarHBondContact O-N 3.02Å; K719-A723 VanDerWaalsContact O-CB 3.27Å; K719-A723 WeakPolarHBondContact O-CB 3.34Å; K719-A723 PolarHBondContact O-N 2.97Å; K719-H1073 HydrophobicContact CB-CB 3.98Å; K719-H1073 HydrophobicContact CD-CB 4.24Å; K719-D1075 WeakPolarHBondContact CD-OD2 3.31Å; K719-D1075 VanDerWaalsContact CE-OD2 3.31Å; K719-D1075 WeakPolarHBondContact CE-OD2 3.43Å; K719-D1075 VanDerWaalsContact NZ-CG 3.28Å; K719-D1075 IonicContact NZ-OD1 3.57Å; K719-D1075 PolarHBondContact NZ-OD1 3.34Å; K719-D1075 VanDerWaalsContact NZ-OD1 3.17Å; K719-D1075 IonicContact NZ-OD2 3.96Å; K719-D1075 PolarHBondContact NZ-OD2 2.95Å
720	Q	83.3	Confident	83	Confident	56 Å²	56	40.4 Å²	40.4	26%	0.262	20%	0.199	S	C	.	.	H	α-helix	trans	-63.6	-42	177	-168.9	178.6	-10.7	0	0	111.9	I668 E669 R716 V717 M718 Y724	I668-Q720 HydrophobicContact CG2-CB 4.18Å; I668-Q720 VanDerWaalsContact CG2-CD 3.47Å; I668-Q720 HydrophobicContact CG2-CG 3.86Å; E669-Q720 PolarHBondContact OE1-NE2 2.73Å; R716-Q720 PolarHBondContact O-N 2.9Å; V717-Q720 PolarHBondContact O-N 2.99Å; M718-Q720 VanDerWaalsContact C-N 3.32Å; M718-Q720 PolarHBondContact O-N 3.38Å; Q720-Y724 PolarHBondContact O-N 2.55Å
721	A	89	Confident	82.9	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-63	-45	175	0	0	0	0	0	112.2	I668 T672 L690 V717 M718 Y724 L725	I668-A721 HydrophobicContact CD1-CB 4.21Å; I668-A721 HydrophobicContact CG1-CB 3.83Å; T672-A721 HydrophobicContact CG2-CB 4.32Å; T672-A721 WeakPolarHBondContact OG1-CB 3.5Å; L690-A721 HydrophobicContact CD1-CB 3.76Å; L690-A721 HydrophobicContact CD2-CB 3.76Å; L690-A721 HydrophobicContact CG-CB 4.46Å; V717-A721 PolarHBondContact O-N 2.94Å; V717-A721 VanDerWaalsContact O-N 3.08Å; M718-A721 PolarHBondContact O-N 3.01Å; A721-Y724 WeakPolarHBondContact O-CB 3.29Å; A721-Y724 PolarHBondContact O-N 3.5Å; A721-L725 WeakPolarHBondContact O-CG 3.31Å; A721-L725 PolarHBondContact O-N 3.31Å
722	V	85.9	Confident	82.7	Confident	41 Å²	41	44.3 Å²	44.3	25%	0.248	24%	0.236	C	C	.	.	H	α-helix	trans	-64.9	-44.3	178.1	173.3	0	0	0	0	111.4	I686 M718 K719 Y724 L725 E726	I686-V722 HydrophobicContact CD1-CB 4.45Å; I686-V722 HydrophobicContact CD1-CG1 4.04Å; I686-V722 HydrophobicContact CD1-CG2 4.05Å; I686-V722 HydrophobicContact CG1-CG2 4.29Å; M718-V722 HydrophobicContact CE-CG2 3.92Å; M718-V722 WeakPolarHBondContact O-CG2 3.43Å; M718-V722 PolarHBondContact O-N 3.11Å; M718-V722 HydrophobicContact SD-CG2 4.24Å; K719-V722 PolarHBondContact O-N 3.02Å; V722-Y724 VanDerWaalsContact C-N 3.25Å; V722-Y724 PolarHBondContact O-N 2.81Å; V722-L725 CarbonylContact O-C 3.52Å; V722-L725 WeakPolarHBondContact O-CA 3.31Å; V722-L725 PolarHBondContact O-N 3.15Å; V722-E726 PolarHBondContact O-N 3.15Å
723	A	83.8	Confident	82	Confident	30 Å²	30	53.5 Å²	53.5	25%	0.248	28%	0.276	C	S	.	.	H	α-helix	trans	-60.4	-35.6	176.6	0	0	0	0	0	111.9	K719 L725 P727	K719-A723 VanDerWaalsContact O-CB 3.27Å; K719-A723 WeakPolarHBondContact O-CB 3.34Å; K719-A723 PolarHBondContact O-N 2.97Å; A723-L725 VanDerWaalsContact C-N 3.33Å; A723-P727 WeakPolarHBondContact O-CD 2.93Å
724	Y	88.8	Confident	80.9	Confident	69 Å²	69	54 Å²	54	27%	0.271	28%	0.28	S	S	.	.	H	α-helix	trans	-66.1	-34.3	173	-176.7	-91.4	0	0	0	112.5	E669 T672 E673 Q720 A721 V722 F728	E669-Y724 HydrophobicContact CB-CD2 4.01Å; E669-Y724 HydrophobicContact CB-CE2 4.29Å; E669-Y724 HydrophobicContact CB-CG 4.46Å; E669-Y724 HydrophobicContact CG-CD2 3.92Å; E669-Y724 HydrophobicContact CG-CG 4.34Å; T672-Y724 HydrophobicContact CG2-CD1 3.92Å; E673-Y724 HydrophobicContact CB-CE1 3.73Å; E673-Y724 WeakPolarHBondContact CB-OH 3.17Å; E673-Y724 HydrophobicContact CG-CE1 4.5Å; E673-Y724 WeakPolarHBondContact OE2-CE1 3.41Å; E673-Y724 PolarHBondContact OE2-OH 3.17Å; E673-Y724 VanDerWaalsContact OE2-OH 3.08Å; Q720-Y724 PolarHBondContact O-N 2.55Å; A721-Y724 WeakPolarHBondContact O-CB 3.29Å; A721-Y724 PolarHBondContact O-N 3.5Å; V722-Y724 VanDerWaalsContact C-N 3.25Å; V722-Y724 PolarHBondContact O-N 2.81Å; Y724-F728 HydrophobicContact CD1-CE2 4.45Å; Y724-F728 HydrophobicContact CE1-CE2 4.03Å; Y724-F728 WeakPolarHBondContact O-CD2 3.28Å; Y724-F728 WeakPolarHBondContact O-CE2 3.38Å
725	L	88.1	Confident	79.7	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-81.7	-23.8	178.9	-68.5	172.9	0	0	0	114.1	T672 R676 V685 I686 L690 A721 V722 A723 F728 I729	T672-L725 HydrophobicContact CG2-CD1 3.78Å; T672-L725 HydrophobicContact CG2-CD2 3.74Å; T672-L725 HydrophobicContact CG2-CG 3.53Å; R676-L725 HydrophobicContact CB-CD2 3.91Å; R676-L725 HydrophobicContact CG-CD2 3.72Å; V685-L725 HydrophobicContact CB-CD1 3.9Å; V685-L725 HydrophobicContact CG1-CD1 3.97Å; I686-L725 HydrophobicContact CD1-CD1 4.18Å; I686-L725 HydrophobicContact CG1-CD1 3.6Å; L690-L725 HydrophobicContact CD1-CD1 4.07Å; A721-L725 WeakPolarHBondContact O-CG 3.31Å; A721-L725 PolarHBondContact O-N 3.31Å; V722-L725 CarbonylContact O-C 3.52Å; V722-L725 WeakPolarHBondContact O-CA 3.31Å; V722-L725 PolarHBondContact O-N 3.15Å; A723-L725 VanDerWaalsContact C-N 3.33Å; L725-F728 WeakPolarHBondContact O-CA 3.43Å; L725-F728 WeakPolarHBondContact O-CB 3.36Å; L725-F728 PolarHBondContact O-N 2.86Å; L725-I729 HydrophobicContact CB-CD1 4.05Å; L725-I729 PolarHBondContact O-N 3.42Å
726	E	82.5	Confident	78.9	Confident	107 Å²	107	65.1 Å²	65.1	50%	0.5	34%	0.342	S	S	.	.	H	α-helix	trans	-48.2	-50.5	-175.7	-124.9	177.6	-172.8	0	0	113.4	V722 F728 I729 E730	V722-E726 PolarHBondContact O-N 3.15Å; E726-F728 PolarHBondContact O-N 2.96Å; E726-F728 VanDerWaalsContact O-N 3.16Å; E726-I729 PolarHBondContact O-N 3.11Å; E726-I729 VanDerWaalsContact O-N 3.14Å; E726-E730 PolarHBondContact O-N 3.2Å
727	P	83.8	Confident	78.6	Confident	84 Å²	84	71.1 Å²	71.1	55%	0.545	37%	0.37	S	S	.	.	H	α-helix	trans	-60.7	-28.5	178.5	-23.7	34.6	0	0	0	113.9	A723 A731	A723-P727 WeakPolarHBondContact O-CD 2.93Å; P727-A731 PolarHBondContact O-N 2.94Å
728	F	86.5	Confident	78.5	Confident	67 Å²	67	73.8 Å²	73.8	29%	0.294	39%	0.386	S	S	.	.	H	α-helix	trans	-80.8	-34.5	178.4	-58.3	-88.8	0	0	0	112.2	P682 Y724 L725 E726 A731 S732	P682-F728 HydrophobicContact CB-CB 4.04Å; P682-F728 HydrophobicContact CG-CB 3.82Å; Y724-F728 HydrophobicContact CD1-CE2 4.45Å; Y724-F728 HydrophobicContact CE1-CE2 4.03Å; Y724-F728 WeakPolarHBondContact O-CD2 3.28Å; Y724-F728 WeakPolarHBondContact O-CE2 3.38Å; L725-F728 WeakPolarHBondContact O-CA 3.43Å; L725-F728 WeakPolarHBondContact O-CB 3.36Å; L725-F728 PolarHBondContact O-N 2.86Å; E726-F728 PolarHBondContact O-N 2.96Å; E726-F728 VanDerWaalsContact O-N 3.16Å; F728-A731 PolarHBondContact O-N 2.98Å; F728-S732 PolarHBondContact O-N 3.15Å
729	I	80.4	Confident	78.3	Confident	25 Å²	25	76.7 Å²	76.7	13%	0.128	40%	0.402	C	S	.	.	H	α-helix	trans	-71.7	-43	177	-64.3	166.2	0	0	0	110.5	P682 I683 I686 L725 E726 A731 S732 K733	P682-I729 HydrophobicContact CB-CG1 3.86Å; I683-I729 HydrophobicContact CD1-CD1 4.1Å; I686-I729 HydrophobicContact CD1-CD1 3.45Å; I686-I729 VanDerWaalsContact CD1-CD1 3.45Å; I686-I729 HydrophobicContact CG1-CD1 4.5Å; L725-I729 HydrophobicContact CB-CD1 4.05Å; L725-I729 PolarHBondContact O-N 3.42Å; E726-I729 PolarHBondContact O-N 3.11Å; E726-I729 VanDerWaalsContact O-N 3.14Å; I729-A731 PolarHBondContact O-N 2.87Å; I729-S732 PolarHBondContact O-N 2.9Å; I729-S732 PolarHBondContact O-OG 2.99Å; I729-K733 PolarHBondContact O-N 2.92Å
730	E	78.1	Confident	78.7	Confident	151 Å²	151	74.7 Å²	74.7	71%	0.706	40%	0.395	S	S	*	.	H	α-helix	trans	-59.5	-34.7	174.7	-72.1	-170.2	158.5	0	0	111.8	E726	E726-E730 PolarHBondContact O-N 3.2Å
731	A	76.7	Confident	79.3	Confident	84 Å²	84	73.8 Å²	73.8	69%	0.694	39%	0.391	S	S	*	.	H	α-helix	trans	-69.5	-31.3	174.1	0	0	0	0	0	113.4	P727 F728 I729	P727-A731 PolarHBondContact O-N 2.94Å; F728-A731 PolarHBondContact O-N 2.98Å; I729-A731 PolarHBondContact O-N 2.87Å
732	S	74.6	Confident	79.6	Confident	46 Å²	46	74 Å²	74	32%	0.322	39%	0.391	S	S	.	.	H	α-helix	trans	-85.6	-17.7	178	70.7	0	0	0	0	114.1	F728 I729 E734	F728-S732 PolarHBondContact O-N 3.15Å; I729-S732 PolarHBondContact O-N 2.9Å; I729-S732 PolarHBondContact O-OG 2.99Å; S732-E734 VanDerWaalsContact C-N 3.32Å; S732-E734 VanDerWaalsContact OG-CD 3.31Å; S732-E734 WeakPolarHBondContact OG-CG 3.26Å; S732-E734 PolarHBondContact OG-OE2 3.46Å; S732-E734 VanDerWaalsContact OG-OE2 3.06Å
733	K	64.4	Low	80.2	Confident	193 Å²	193	72 Å²	72	84%	0.839	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.8	35.3	-174.2	-62.8	-175.3	174.4	-178.2	0	114	I729	I729-K733 PolarHBondContact O-N 2.92Å
734	E	57.5	Low	80.8	Confident	54 Å²	54	70.9 Å²	70.9	25%	0.252	37%	0.369	S	S	.	.			trans	-91.6	152.4	-178.8	-70.6	170.5	164.1	0	0	112.7	R681 I683 S732	R681-E734 WeakPolarHBondContact CD-OE1 3.11Å; R681-E734 VanDerWaalsContact CG-OE1 3.25Å; R681-E734 WeakPolarHBondContact CG-OE1 3.37Å; I683-E734 HydrophobicContact CG2-CB 4.41Å; I683-E734 WeakPolarHBondContact CG2-OE2 3.5Å; S732-E734 VanDerWaalsContact C-N 3.32Å; S732-E734 VanDerWaalsContact OG-CD 3.31Å; S732-E734 WeakPolarHBondContact OG-CG 3.26Å; S732-E734 PolarHBondContact OG-OE2 3.46Å; S732-E734 VanDerWaalsContact OG-OE2 3.06Å
735	Q	57.4	Low	81.2	Confident	194 Å²	194	67.6 Å²	67.6	91%	0.907	36%	0.356	S	S	*	.			trans	-120.2	126.1	174.2	-79.1	-177.5	-22.4	0	0	109.6
736	G	63.6	Low	81.4	Confident	44 Å²	44	67.6 Å²	67.6	45%	0.454	36%	0.356	S	S	.	.			trans	-82.1	167.9	175.3	0	0	0	0	0	113.5	E687	E687-G736 VanDerWaalsContact OE1-CA 3.22Å; E687-G736 WeakPolarHBondContact OE1-CA 3.4Å
737	K	72.1	Confident	81.7	Confident	173 Å²	173	62.6 Å²	62.6	75%	0.752	33%	0.333	S	S	*	.			trans	-109.6	127.4	177.5	-168.6	-177	178.6	-169.8	0	112	E687 N767	E687-K737 PolarHBondContact OE1-N 3.5Å; K737-N767 PolarHBondContact O-ND2 3.35Å
738	T	81.6	Confident	81.8	Confident	56 Å²	56	61.9 Å²	61.9	34%	0.344	32%	0.321	S	S	.	.			trans	-103.8	162.7	177.3	64.6	0	0	0	0	111.5	G740 N767 E769	T738-G740 PolarHBondContact O-N 2.99Å; T738-N767 WeakPolarHBondContact CB-O 3.39Å; T738-E769 HydrophobicContact CG2-CB 4.13Å
739	N	83.9	Confident	81.5	Confident	88 Å²	88	58.8 Å²	58.8	47%	0.471	31%	0.308	S	S	.	.	S	Bend	trans	-74.8	-7.1	175.8	-77.1	-11.3	0	0	0	113.2	N766 N767 Y768 L864	N739-N766 PolarHBondContact ND2-O 3.12Å; N739-N767 HydrophobicContact CB-CB 4.26Å; N739-N767 PolarHBondContact N-O 3.5Å; N739-Y768 HydrophobicContact CB-CD1 3.87Å; N739-Y768 HydrophobicContact CB-CE1 3.6Å; N739-L864 WeakPolarHBondContact O-CD1 3.45Å
740	G	90.5	Very high	81.6	Confident	6 Å²	6	57.6 Å²	57.6	6%	0.062	30%	0.302	C	S	.	.			trans	147.8	168.1	-178.1	0	0	0	0	0	110.9	T738 Y768 E769 D792	T738-G740 PolarHBondContact O-N 2.99Å; G740-Y768 WeakPolarHBondContact O-CA 3.18Å; G740-E769 PolarHBondContact O-N 3.27Å; G740-D792 WeakPolarHBondContact CA-OD2 3.5Å
741	K	95.2	Very high	82	Confident	38 Å²	38	51 Å²	51	17%	0.165	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	131.3	-175.6	179.3	174.5	-71.3	-175	0	111.9	E769 V789 A791 D792 L793	K741-E769 CarbonylContact C-O 3.57Å; K741-E769 WeakPolarHBondContact CA-O 3.43Å; K741-E769 HydrophobicContact CB-CB 4.28Å; K741-E769 WeakPolarHBondContact CE-OE1 3.27Å; K741-E769 WeakPolarHBondContact CE-OE2 3.41Å; K741-E769 HydrophobicContact CG-CB 4.31Å; K741-E769 IonicContact NZ-OE1 3.82Å; K741-E769 PolarHBondContact NZ-OE1 2.95Å; K741-E769 VanDerWaalsContact NZ-OE1 3.09Å; K741-E769 IonicContact NZ-OE2 3.65Å; K741-E769 PolarHBondContact NZ-OE2 3.49Å; K741-V789 HydrophobicContact CD-CB 3.97Å; K741-V789 HydrophobicContact CD-CG2 3.75Å; K741-V789 WeakPolarHBondContact CD-O 3.48Å; K741-V789 HydrophobicContact CG-CG2 4.45Å; K741-V789 PolarHBondContact NZ-O 3.29Å; K741-A791 HydrophobicContact CG-CB 4.49Å; K741-D792 PolarHBondContact N-OD2 3.43Å; K741-D792 WeakPolarHBondContact O-CA 3.42Å; K741-D792 WeakPolarHBondContact O-CB 3.22Å; K741-D792 PolarHBondContact O-N 3.46Å; K741-L793 PolarHBondContact O-N 3.04Å; K741-L793 VanDerWaalsContact O-N 3.11Å
742	M	96.9	Very high	82.4	Confident	4 Å²	4	49.2 Å²	49.2	2%	0.02	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	129.5	-179.9	-173.5	172.5	-178.8	0	0	111.7	I744 L763 E769 I770 V771 L793 L824 V860	M742-I744 HydrophobicContact CE-CG2 3.85Å; M742-I744 HydrophobicContact CG-CG2 3.82Å; M742-I744 HydrophobicContact SD-CG2 4.04Å; M742-L763 HydrophobicContact SD-CD1 3.4Å; M742-L763 WeakPolarHBondContact SD-CD1 3.42Å; M742-E769 PolarHBondContact N-O 2.96Å; M742-I770 HydrophobicContact CB-CD1 3.87Å; M742-V771 PolarHBondContact O-N 3.43Å; M742-L793 WeakPolarHBondContact CA-O 3.46Å; M742-L793 HydrophobicContact CB-CB 4.49Å; M742-L793 HydrophobicContact CB-CD1 4.39Å; M742-L793 HydrophobicContact CG-CB 4.1Å; M742-L824 HydrophobicContact CE-CB 4.11Å; M742-L824 HydrophobicContact CE-CD1 4.47Å; M742-L824 HydrophobicContact CE-CD2 3.89Å; M742-L824 HydrophobicContact CE-CG 4.38Å; M742-V860 HydrophobicContact SD-CG2 4.42Å
743	V	98.2	Very high	83.1	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	124.7	167.2	169.7	0	0	0	0	108.5	V771 L773 I782 T785 A786 V789 A791 L793 I794 G795	V743-V771 WeakPolarHBondContact CA-O 3.24Å; V743-V771 HydrophobicContact CG2-CB 4.01Å; V743-V771 HydrophobicContact CG2-CG1 4.31Å; V743-L773 HydrophobicContact CG1-CD1 3.62Å; V743-L773 HydrophobicContact CG1-CG 4.07Å; V743-I782 HydrophobicContact CG1-CG2 4.28Å; V743-T785 HydrophobicContact CG2-CG2 4.39Å; V743-A786 HydrophobicContact CG2-CB 4.21Å; V743-V789 HydrophobicContact CG2-CG2 3.9Å; V743-A791 HydrophobicContact CB-CB 4.46Å; V743-A791 HydrophobicContact CG2-CB 3.76Å; V743-L793 PolarHBondContact N-O 3.27Å; V743-I794 CarbonylContact O-C 3.56Å; V743-I794 WeakPolarHBondContact O-CA 3.12Å; V743-G795 PolarHBondContact O-N 2.68Å
744	I	97	Very high	84.1	Confident	5 Å²	5	40.3 Å²	40.3	3%	0.026	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	141.7	176.9	65.4	176.9	0	0	0	111.4	M742 K756 I770 V771 D772 L773 G795	M742-I744 HydrophobicContact CE-CG2 3.85Å; M742-I744 HydrophobicContact CG-CG2 3.82Å; M742-I744 HydrophobicContact SD-CG2 4.04Å; I744-K756 HydrophobicContact CB-CG 4.34Å; I744-K756 HydrophobicContact CD1-CG 3.82Å; I744-K756 HydrophobicContact CG1-CD 4.36Å; I744-K756 HydrophobicContact CG1-CG 4.14Å; I744-I770 HydrophobicContact CD1-CG2 3.42Å; I744-I770 VanDerWaalsContact CD1-CG2 3.42Å; I744-I770 HydrophobicContact CG1-CG2 3.76Å; I744-V771 PolarHBondContact N-O 2.89Å; I744-D772 HydrophobicContact CD1-CB 4.21Å; I744-D772 HydrophobicContact CG1-CB 3.93Å; I744-L773 PolarHBondContact O-N 3.25Å; I744-G795 WeakPolarHBondContact CA-O 3.29Å
745	A	95.3	Very high	85.5	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	143.4	-179.9	0	0	0	0	0	112.4	L773 V777 I782 G795 S797	A745-L773 HydrophobicContact CB-CB 4.1Å; A745-L773 HydrophobicContact CB-CD1 4.46Å; A745-V777 HydrophobicContact CB-CB 3.95Å; A745-V777 HydrophobicContact CB-CG1 4.27Å; A745-V777 HydrophobicContact CB-CG2 3.94Å; A745-I782 HydrophobicContact CB-CD1 3.81Å; A745-I782 HydrophobicContact CB-CG1 3.91Å; A745-G795 PolarHBondContact N-O 3.1Å; A745-G795 VanDerWaalsContact N-O 3.11Å; A745-S797 PolarHBondContact O-N 3.42Å
746	T	92.2	Very high	87.1	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	124.7	159.9	-64.7	0	0	0	0	107.2	D750 H752 K756 G774 V775 M776 V777 S797	T746-D750 HydrophobicContact CG2-CB 3.66Å; T746-D750 WeakPolarHBondContact CG2-O 3.23Å; T746-H752 VanDerWaalsContact CG2-O 3.31Å; T746-H752 WeakPolarHBondContact CG2-O 3.42Å; T746-H752 PolarHBondContact OG1-O 2.96Å; T746-K756 WeakPolarHBondContact OG1-CE 3.5Å; T746-G774 PolarHBondContact N-O 3.14Å; T746-V775 HydrophobicContact CG2-CG1 4.34Å; T746-M776 PolarHBondContact O-N 3.13Å; T746-V777 PolarHBondContact O-N 3.29Å; T746-S797 WeakPolarHBondContact CA-O 3.39Å
747	V	90	Very high	88.1	Confident	2 Å²	2	29.2 Å²	29.2	1%	0.012	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-64.6	163.9	-169.3	-63.8	0	0	0	0	112.8	G749 D750 L796 S797 S803 E806 M807	V747-G749 PolarHBondContact O-N 2.89Å; V747-D750 PolarHBondContact O-N 3.16Å; V747-D750 VanDerWaalsContact O-N 3.14Å; V747-L796 HydrophobicContact CG1-CB 4.05Å; V747-L796 HydrophobicContact CG1-CD1 4.27Å; V747-L796 HydrophobicContact CG1-CD2 4.17Å; V747-L796 HydrophobicContact CG1-CG 4.4Å; V747-S797 PolarHBondContact N-O 2.7Å; V747-S803 VanDerWaalsContact CG2-CB 3.48Å; V747-E806 HydrophobicContact CB-CB 4.02Å; V747-E806 HydrophobicContact CG2-CB 4.08Å; V747-M807 HydrophobicContact CG1-CG 3.99Å
748	K	86.4	Confident	88.8	Confident	70 Å²	70	21.4 Å²	21.4	30%	0.304	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	135.3	-178.5	-172	-177.4	168.4	-166.4	0	112.3	D750 V777 E806 E1160	K748-D750 PolarHBondContact O-N 2.91Å; K748-V777 PolarHBondContact N-O 3.48Å; K748-V777 VanDerWaalsContact N-O 3.08Å; K748-E806 HydrophobicContact CB-CG 4.34Å; K748-E1160 WeakPolarHBondContact CE-OE1 3.24Å; K748-E1160 VanDerWaalsContact CE-OE2 3.32Å; K748-E1160 WeakPolarHBondContact CE-OE2 3.44Å; K748-E1160 IonicContact NZ-OE1 2.78Å; K748-E1160 PolarHBondContact NZ-OE1 2.92Å; K748-E1160 IonicContact NZ-OE2 2.97Å; K748-E1160 PolarHBondContact NZ-OE2 3.46Å
749	G	78.9	Confident	89.1	Confident	2 Å²	2	20.1 Å²	20.1	2%	0.021	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.3	-21	179.5	0	0	0	0	0	114.7	V747 T1159 S1161 A1163	V747-G749 PolarHBondContact O-N 2.89Å; G749-T1159 PolarHBondContact O-OG1 3.45Å; G749-S1161 VanDerWaalsContact CA-OG 3.27Å; G749-S1161 WeakPolarHBondContact CA-OG 3.1Å; G749-S1161 PolarHBondContact O-OG 3.19Å; G749-A1163 WeakPolarHBondContact O-CB 3.42Å
750	D	83.4	Confident	89.2	Confident	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.093	C	C	.	.			trans	-94.3	141.5	-179.8	-158.3	-17.8	0	0	0	111.3	T746 V747 K748 H752 M776 G798 L799 I800 S803	T746-D750 HydrophobicContact CG2-CB 3.66Å; T746-D750 WeakPolarHBondContact CG2-O 3.23Å; V747-D750 PolarHBondContact O-N 3.16Å; V747-D750 VanDerWaalsContact O-N 3.14Å; K748-D750 PolarHBondContact O-N 2.91Å; D750-H752 IonicContact OD1-CE1 3.18Å; D750-H752 IonicContact OD1-CG 2.69Å; D750-H752 PolarHBondContact OD1-N 2.66Å; D750-H752 VanDerWaalsContact OD1-N 3.15Å; D750-H752 IonicContact OD1-ND1 3.93Å; D750-H752 PolarHBondContact OD1-ND1 3.44Å; D750-M776 VanDerWaalsContact O-CG 3.23Å; D750-M776 WeakPolarHBondContact O-CG 3.28Å; D750-M776 PolarHBondContact O-N 3.35Å; D750-G798 VanDerWaalsContact OD2-CA 3.29Å; D750-G798 WeakPolarHBondContact OD2-CA 3.16Å; D750-L799 PolarHBondContact OD2-N 3.13Å; D750-I800 HydrophobicContact CB-CG1 4.39Å; D750-I800 PolarHBondContact OD2-N 3.17Å; D750-S803 WeakPolarHBondContact CB-OG 3.06Å; D750-S803 PolarHBondContact OD2-OG 3.28Å
751	V	85.2	Confident	88.7	Confident	11 Å²	11	16 Å²	16	7%	0.067	9%	0.091	C	C	.	.			trans	-112.9	-9.8	-176.3	-59.1	0	0	0	0	112.9	D753 V775 M776 T1159 A1163 M1164	V751-D753 PolarHBondContact O-N 3.12Å; V751-V775 WeakPolarHBondContact O-CG1 3.14Å; V751-M776 HydrophobicContact CG1-CE 4.14Å; V751-M776 HydrophobicContact CG1-CG 3.98Å; V751-M776 HydrophobicContact CG1-SD 3.88Å; V751-T1159 HydrophobicContact CG1-CG2 3.73Å; V751-A1163 HydrophobicContact CG2-CB 4.18Å; V751-M1164 WeakPolarHBondContact CG2-O 3.45Å
752	H	85.7	Confident	88.1	Confident	48 Å²	48	14.2 Å²	14.2	22%	0.222	8%	0.083	C	C	.	.			trans	-81.5	121.5	-173.6	-52.4	87.2	0	0	0	110.6	T746 D750 L799	T746-H752 VanDerWaalsContact CG2-O 3.31Å; T746-H752 WeakPolarHBondContact CG2-O 3.42Å; T746-H752 PolarHBondContact OG1-O 2.96Å; D750-H752 IonicContact OD1-CE1 3.18Å; D750-H752 IonicContact OD1-CG 2.69Å; D750-H752 PolarHBondContact OD1-N 2.66Å; D750-H752 VanDerWaalsContact OD1-N 3.15Å; D750-H752 IonicContact OD1-ND1 3.93Å; D750-H752 PolarHBondContact OD1-ND1 3.44Å; H752-L799 HydrophobicContact CB-CB 3.69Å; H752-L799 HydrophobicContact CB-CD1 3.85Å; H752-L799 HydrophobicContact CB-CG 4.27Å
753	D	89.9	Confident	87.6	Confident	16 Å²	16	14 Å²	14	9%	0.086	8%	0.082	C	C	.	.			trans	-132	-4.1	-170.9	69.8	-26.3	0	0	0	115.4	V751 G755 K756 N757 V775 K1082	V751-D753 PolarHBondContact O-N 3.12Å; D753-G755 VanDerWaalsContact C-N 3.32Å; D753-G755 PolarHBondContact O-N 2.94Å; D753-K756 WeakPolarHBondContact O-CB 3.41Å; D753-K756 PolarHBondContact O-N 2.84Å; D753-N757 PolarHBondContact O-N 2.9Å; D753-N757 PolarHBondContact O-ND2 3.43Å; D753-N757 PolarHBondContact O-OD1 3.2Å; D753-N757 PolarHBondContact OD2-ND2 3Å; D753-V775 HydrophobicContact CB-CG1 3.54Å; D753-K1082 IonicContact OD1-NZ 3.19Å; D753-K1082 PolarHBondContact OD1-NZ 3.26Å; D753-K1082 IonicContact OD2-NZ 2.68Å; D753-K1082 PolarHBondContact OD2-NZ 3.22Å
754	I	85.9	Confident	86.8	Confident	35 Å²	35	17.4 Å²	17.4	18%	0.179	10%	0.098	C	C	.	.	H	α-helix	trans	-52.4	-51.1	-178.7	-61.9	175.6	0	0	0	110.8	K756 N757 I758 T946 I1079 K1082	I754-K756 PolarHBondContact O-N 3.13Å; I754-N757 PolarHBondContact O-N 2.99Å; I754-I758 HydrophobicContact CG2-CD1 3.85Å; I754-I758 VanDerWaalsContact O-CG1 3.28Å; I754-I758 WeakPolarHBondContact O-CG1 3.38Å; I754-I758 PolarHBondContact O-N 3.41Å; I754-T946 HydrophobicContact CG2-CG2 3.59Å; I754-I1079 HydrophobicContact CG2-CG2 4.29Å; I754-K1082 HydrophobicContact CD1-CB 3.96Å; I754-K1082 HydrophobicContact CG1-CB 3.97Å; I754-K1082 HydrophobicContact CG1-CD 4.34Å
755	G	85.5	Confident	85.7	Confident	41 Å²	41	17.2 Å²	17.2	42%	0.423	10%	0.097	S	C	.	.	H	α-helix	trans	-62.8	-37.8	178.3	0	0	0	0	0	113.7	D753 V759	D753-G755 VanDerWaalsContact C-N 3.32Å; D753-G755 PolarHBondContact O-N 2.94Å; G755-V759 WeakPolarHBondContact O-CG2 3.45Å; G755-V759 PolarHBondContact O-N 3.34Å
756	K	91.3	Very high	84.8	Confident	9 Å²	9	18.3 Å²	18.3	4%	0.039	10%	0.103	C	C	.	.	H	α-helix	trans	-63.8	-46.8	175.6	176.4	-175.4	60.7	61.6	0	111.1	I744 T746 D753 I754 I758 V759 G760 D772 G774	I744-K756 HydrophobicContact CB-CG 4.34Å; I744-K756 HydrophobicContact CD1-CG 3.82Å; I744-K756 HydrophobicContact CG1-CD 4.36Å; I744-K756 HydrophobicContact CG1-CG 4.14Å; T746-K756 WeakPolarHBondContact OG1-CE 3.5Å; D753-K756 WeakPolarHBondContact O-CB 3.41Å; D753-K756 PolarHBondContact O-N 2.84Å; I754-K756 PolarHBondContact O-N 3.13Å; K756-I758 VanDerWaalsContact C-N 3.32Å; K756-I758 PolarHBondContact O-N 3.33Å; K756-V759 PolarHBondContact O-N 3.1Å; K756-G760 PolarHBondContact O-N 3.13Å; K756-D772 WeakPolarHBondContact CE-OD1 3.48Å; K756-D772 IonicContact NZ-OD1 2.79Å; K756-D772 PolarHBondContact NZ-OD1 3.28Å; K756-D772 IonicContact NZ-OD2 3.36Å; K756-D772 PolarHBondContact NZ-OD2 3.45Å; K756-G774 WeakPolarHBondContact CE-O 3.12Å
757	N	85.7	Confident	84.2	Confident	10 Å²	10	20 Å²	20	5%	0.053	11%	0.112	C	C	.	.	H	α-helix	trans	-62.6	-42.4	-179.3	-63.4	-16.4	0	0	0	110.4	D753 I754 V759 G760 V761 I1079	D753-N757 PolarHBondContact O-N 2.9Å; D753-N757 PolarHBondContact O-ND2 3.43Å; D753-N757 PolarHBondContact O-OD1 3.2Å; D753-N757 PolarHBondContact OD2-ND2 3Å; I754-N757 PolarHBondContact O-N 2.99Å; N757-V759 PolarHBondContact O-N 3.44Å; N757-G760 PolarHBondContact O-N 3.09Å; N757-V761 WeakPolarHBondContact O-CG2 3.42Å; N757-V761 PolarHBondContact O-N 3.46Å; N757-I1079 HydrophobicContact CB-CG1 4.47Å
758	I	85.1	Confident	84.1	Confident	8 Å²	8	21 Å²	21	4%	0.041	12%	0.115	C	C	.	.	H	α-helix	trans	-57.8	-48.3	173	-70.4	167.3	0	0	0	111.2	L708 I754 K756 G760 V761 V762 A853 T946 I1079	L708-I758 HydrophobicContact CD1-CG2 3.71Å; L708-I758 HydrophobicContact CD2-CD1 4.06Å; L708-I758 HydrophobicContact CD2-CG1 4.25Å; L708-I758 HydrophobicContact CD2-CG2 3.46Å; L708-I758 VanDerWaalsContact CD2-CG2 3.46Å; L708-I758 HydrophobicContact CG-CG2 4.19Å; I754-I758 HydrophobicContact CG2-CD1 3.85Å; I754-I758 VanDerWaalsContact O-CG1 3.28Å; I754-I758 WeakPolarHBondContact O-CG1 3.38Å; I754-I758 PolarHBondContact O-N 3.41Å; K756-I758 VanDerWaalsContact C-N 3.32Å; K756-I758 PolarHBondContact O-N 3.33Å; I758-G760 VanDerWaalsContact C-N 3.33Å; I758-G760 PolarHBondContact O-N 2.85Å; I758-V761 PolarHBondContact O-N 3.31Å; I758-V762 HydrophobicContact CG2-CG2 4.43Å; I758-V762 WeakPolarHBondContact O-CG2 3.29Å; I758-V762 PolarHBondContact O-N 2.94Å; I758-A853 HydrophobicContact CB-CB 4.49Å; I758-A853 HydrophobicContact CG2-CB 3.41Å; I758-A853 VanDerWaalsContact CG2-CB 3.41Å; I758-T946 WeakPolarHBondContact CD1-O 3.11Å; I758-I1079 HydrophobicContact CG1-CD1 3.86Å; I758-I1079 HydrophobicContact CG1-CG2 4.46Å
759	V	88.2	Confident	84.3	Confident	30 Å²	30	21.3 Å²	21.3	18%	0.182	12%	0.118	C	C	.	.	H	α-helix	trans	-60.4	-42.7	178	168.2	0	0	0	0	111.7	G755 K756 N757 V761 V762 L763 A853 T856	G755-V759 WeakPolarHBondContact O-CG2 3.45Å; G755-V759 PolarHBondContact O-N 3.34Å; K756-V759 PolarHBondContact O-N 3.1Å; N757-V759 PolarHBondContact O-N 3.44Å; V759-V761 PolarHBondContact O-N 3Å; V759-V762 PolarHBondContact O-N 3.24Å; V759-L763 HydrophobicContact CG1-CD1 3.99Å; V759-L763 HydrophobicContact CG1-CG 4.43Å; V759-L763 WeakPolarHBondContact O-CG 3.42Å; V759-L763 PolarHBondContact O-N 3.25Å; V759-A853 HydrophobicContact CG2-CB 3.75Å; V759-T856 HydrophobicContact CG1-CG2 3.81Å
760	G	87.2	Confident	84.9	Confident	5 Å²	5	22.4 Å²	22.4	5%	0.052	12%	0.123	C	C	.	.	H	α-helix	trans	-57.3	-48.9	176.1	0	0	0	0	0	111.9	K756 N757 I758 L763 Q764	K756-G760 PolarHBondContact O-N 3.13Å; N757-G760 PolarHBondContact O-N 3.09Å; I758-G760 VanDerWaalsContact C-N 3.33Å; I758-G760 PolarHBondContact O-N 2.85Å; G760-L763 PolarHBondContact O-N 3.14Å; G760-Q764 WeakPolarHBondContact O-CB 3.23Å; G760-Q764 VanDerWaalsContact O-CG 3.28Å; G760-Q764 WeakPolarHBondContact O-CG 3.43Å; G760-Q764 PolarHBondContact O-N 3.26Å
761	V	80.7	Confident	85.4	Confident	3 Å²	3	23.9 Å²	23.9	2%	0.018	13%	0.132	C	C	.	.	H	α-helix	trans	-61.1	-47.9	177.9	172.7	0	0	0	0	111.7	V712 A715 N757 I758 V759 L763 Q764 C765 D1075	V712-V761 HydrophobicContact CB-CG1 4.31Å; V712-V761 HydrophobicContact CG1-CG1 4.42Å; V712-V761 HydrophobicContact CG2-CG1 3.96Å; A715-V761 HydrophobicContact CB-CG1 3.5Å; N757-V761 WeakPolarHBondContact O-CG2 3.42Å; N757-V761 PolarHBondContact O-N 3.46Å; I758-V761 PolarHBondContact O-N 3.31Å; V759-V761 PolarHBondContact O-N 3Å; V761-L763 VanDerWaalsContact C-N 3.33Å; V761-L763 PolarHBondContact O-N 3.36Å; V761-Q764 PolarHBondContact O-N 2.97Å; V761-C765 PolarHBondContact O-N 3.16Å; V761-C765 VanDerWaalsContact O-N 3.07Å; V761-C765 PolarHBondContact O-SG 3.01Å; V761-D1075 HydrophobicContact CG2-CB 3.89Å
762	V	81.4	Confident	85.8	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-61.1	-40	-179.3	167.3	0	0	0	0	112.2	F701 L708 V711 I758 V759 C765 N766 A853 V857	F701-V762 HydrophobicContact CD1-CG1 4.31Å; F701-V762 HydrophobicContact CE1-CG1 3.72Å; F701-V762 HydrophobicContact CE1-CG2 4.04Å; F701-V762 HydrophobicContact CZ-CG2 4.3Å; L708-V762 HydrophobicContact CD1-CG2 3.64Å; V711-V762 HydrophobicContact CG1-CG2 4.43Å; I758-V762 HydrophobicContact CG2-CG2 4.43Å; I758-V762 WeakPolarHBondContact O-CG2 3.29Å; I758-V762 PolarHBondContact O-N 2.94Å; V759-V762 PolarHBondContact O-N 3.24Å; V762-C765 WeakPolarHBondContact O-CB 3.43Å; V762-C765 PolarHBondContact O-N 2.94Å; V762-N766 PolarHBondContact O-ND2 3.43Å; V762-A853 HydrophobicContact CG2-CB 4.37Å; V762-V857 HydrophobicContact CG1-CG2 3.43Å; V762-V857 VanDerWaalsContact CG1-CG2 3.43Å
763	L	86.9	Confident	86.1	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-73.9	-37.3	177.5	-72.2	177.7	0	0	0	112.5	M742 V759 G760 V761 C765 N766 Y768 I770 T856 V857 V860	M742-L763 HydrophobicContact SD-CD1 3.4Å; M742-L763 WeakPolarHBondContact SD-CD1 3.42Å; V759-L763 HydrophobicContact CG1-CD1 3.99Å; V759-L763 HydrophobicContact CG1-CG 4.43Å; V759-L763 WeakPolarHBondContact O-CG 3.42Å; V759-L763 PolarHBondContact O-N 3.25Å; G760-L763 PolarHBondContact O-N 3.14Å; V761-L763 VanDerWaalsContact C-N 3.33Å; V761-L763 PolarHBondContact O-N 3.36Å; L763-C765 PolarHBondContact O-N 3.46Å; L763-N766 CarbonylContact O-C 3.56Å; L763-N766 WeakPolarHBondContact O-CA 3.3Å; L763-N766 PolarHBondContact O-N 3.34Å; L763-Y768 HydrophobicContact CB-CD2 4.11Å; L763-Y768 HydrophobicContact CD2-CD2 3.72Å; L763-Y768 HydrophobicContact CD2-CE2 4.08Å; L763-Y768 WeakPolarHBondContact O-CB 3.5Å; L763-Y768 WeakPolarHBondContact O-CD2 3.05Å; L763-Y768 PolarHBondContact O-N 3.15Å; L763-I770 HydrophobicContact CB-CD1 3.72Å; L763-I770 HydrophobicContact CB-CG1 4.19Å; L763-I770 HydrophobicContact CD1-CD1 3.81Å; L763-I770 HydrophobicContact CG-CD1 4.46Å; L763-T856 HydrophobicContact CD1-CG2 3.85Å; L763-T856 HydrophobicContact CD2-CG2 3.84Å; L763-T856 HydrophobicContact CG-CG2 3.96Å; L763-V857 HydrophobicContact CD2-CG2 4.47Å; L763-V860 HydrophobicContact CD1-CG2 4.4Å; L763-V860 HydrophobicContact CD2-CB 4.16Å; L763-V860 HydrophobicContact CD2-CG1 4.46Å; L763-V860 HydrophobicContact CD2-CG2 3.9Å
764	Q	81	Confident	86	Confident	71 Å²	71	25.6 Å²	25.6	33%	0.332	15%	0.149	S	C	.	.	H	α-helix	trans	-57.8	-35.4	172.2	-76.1	175.4	-31.5	0	0	111.5	G760 V761 N766 N767 I770	G760-Q764 WeakPolarHBondContact O-CB 3.23Å; G760-Q764 VanDerWaalsContact O-CG 3.28Å; G760-Q764 WeakPolarHBondContact O-CG 3.43Å; G760-Q764 PolarHBondContact O-N 3.26Å; V761-Q764 PolarHBondContact O-N 2.97Å; Q764-N766 PolarHBondContact O-N 2.76Å; Q764-N767 PolarHBondContact O-N 2.86Å; Q764-I770 HydrophobicContact CG-CB 4.14Å; Q764-I770 HydrophobicContact CG-CG1 3.69Å
765	C	74.2	Confident	86.1	Confident	1 Å²	1	26.3 Å²	26.3	1%	0.007	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-19.2	174	-60.8	0	0	0	0	114.1	M694 V711 V761 V762 L763	M694-C765 VanDerWaalsContact CE-CA 3.46Å; M694-C765 HydrophobicContact CE-CB 3.43Å; M694-C765 VanDerWaalsContact CE-CB 3.43Å; M694-C765 WeakPolarHBondContact CE-SG 3.45Å; V711-C765 HydrophobicContact CG1-CB 4.35Å; V711-C765 VanDerWaalsContact CG1-SG 3.55Å; V761-C765 PolarHBondContact O-N 3.16Å; V761-C765 VanDerWaalsContact O-N 3.07Å; V761-C765 PolarHBondContact O-SG 3.01Å; V762-C765 WeakPolarHBondContact O-CB 3.43Å; V762-C765 PolarHBondContact O-N 2.94Å; L763-C765 PolarHBondContact O-N 3.46Å
766	N	75.8	Confident	86.1	Confident	22 Å²	22	27.3 Å²	27.3	12%	0.118	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	25.9	179.2	-72.2	-92.4	0	0	0	112.4	N739 V762 L763 Q764 Y768 V857	N739-N766 PolarHBondContact ND2-O 3.12Å; V762-N766 PolarHBondContact O-ND2 3.43Å; L763-N766 CarbonylContact O-C 3.56Å; L763-N766 WeakPolarHBondContact O-CA 3.3Å; L763-N766 PolarHBondContact O-N 3.34Å; Q764-N766 PolarHBondContact O-N 2.76Å; N766-Y768 VanDerWaalsContact C-N 3.31Å; N766-Y768 HydrophobicContact CB-CD2 3.8Å; N766-Y768 HydrophobicContact CB-CE2 3.72Å; N766-Y768 PolarHBondContact O-N 3.47Å; N766-V857 HydrophobicContact CB-CG1 4.12Å; N766-V857 VanDerWaalsContact CG-CG1 3.41Å; N766-V857 VanDerWaalsContact ND2-CG2 3.32Å; N766-V857 WeakPolarHBondContact ND2-CG2 3.4Å; N766-V857 VanDerWaalsContact OD1-CG1 3.28Å; N766-V857 WeakPolarHBondContact OD1-CG1 3.07Å
767	N	80.8	Confident	86	Confident	37 Å²	37	27 Å²	27	20%	0.198	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.8	27	180	-156.3	20.3	0	0	0	115.4	M691 K737 T738 N739 Q764	M691-N767 HydrophobicContact CE-CB 3.43Å; M691-N767 VanDerWaalsContact CE-CB 3.43Å; M691-N767 HydrophobicContact SD-CB 3.89Å; K737-N767 PolarHBondContact O-ND2 3.35Å; T738-N767 WeakPolarHBondContact CB-O 3.39Å; N739-N767 HydrophobicContact CB-CB 4.26Å; N739-N767 PolarHBondContact N-O 3.5Å; Q764-N767 PolarHBondContact O-N 2.86Å
768	Y	88.2	Confident	85.8	Confident	21 Å²	21	29.3 Å²	29.3	8%	0.082	16%	0.163	C	C	.	.			trans	-89.8	136.3	172.5	-64.1	-69.2	0	0	0	111.1	N739 G740 L763 N766 V860 A861 L864	N739-Y768 HydrophobicContact CB-CD1 3.87Å; N739-Y768 HydrophobicContact CB-CE1 3.6Å; G740-Y768 WeakPolarHBondContact O-CA 3.18Å; L763-Y768 HydrophobicContact CB-CD2 4.11Å; L763-Y768 HydrophobicContact CD2-CD2 3.72Å; L763-Y768 HydrophobicContact CD2-CE2 4.08Å; L763-Y768 WeakPolarHBondContact O-CB 3.5Å; L763-Y768 WeakPolarHBondContact O-CD2 3.05Å; L763-Y768 PolarHBondContact O-N 3.15Å; N766-Y768 VanDerWaalsContact C-N 3.31Å; N766-Y768 HydrophobicContact CB-CD2 3.8Å; N766-Y768 HydrophobicContact CB-CE2 3.72Å; N766-Y768 PolarHBondContact O-N 3.47Å; Y768-V860 HydrophobicContact CD1-CG1 4.04Å; Y768-V860 HydrophobicContact CD2-CG1 4.37Å; Y768-V860 HydrophobicContact CE1-CG1 3.6Å; Y768-V860 HydrophobicContact CE2-CB 4.47Å; Y768-V860 HydrophobicContact CE2-CG1 3.93Å; Y768-V860 HydrophobicContact CG-CG1 4.42Å; Y768-A861 WeakPolarHBondContact OH-CA 3.3Å; Y768-A861 PolarHBondContact OH-N 2.89Å; Y768-L864 HydrophobicContact CD1-CD1 4.22Å; Y768-L864 HydrophobicContact CE1-CD1 3.62Å
769	E	88.5	Confident	85.9	Confident	78 Å²	78	29.4 Å²	29.4	36%	0.364	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	121.3	171.9	-164.8	-178.6	146.3	0	0	109.4	T738 G740 K741 M742	T738-E769 HydrophobicContact CG2-CB 4.13Å; G740-E769 PolarHBondContact O-N 3.27Å; K741-E769 CarbonylContact C-O 3.57Å; K741-E769 WeakPolarHBondContact CA-O 3.43Å; K741-E769 HydrophobicContact CB-CB 4.28Å; K741-E769 WeakPolarHBondContact CE-OE1 3.27Å; K741-E769 WeakPolarHBondContact CE-OE2 3.41Å; K741-E769 HydrophobicContact CG-CB 4.31Å; K741-E769 IonicContact NZ-OE1 3.82Å; K741-E769 PolarHBondContact NZ-OE1 2.95Å; K741-E769 VanDerWaalsContact NZ-OE1 3.09Å; K741-E769 IonicContact NZ-OE2 3.65Å; K741-E769 PolarHBondContact NZ-OE2 3.49Å; M742-E769 PolarHBondContact N-O 2.96Å
770	I	92.1	Very high	85.7	Confident	25 Å²	25	34.3 Å²	34.3	13%	0.128	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	121.6	-177.4	-58.1	-55.4	0	0	0	110.2	M742 I744 L763 Q764	M742-I770 HydrophobicContact CB-CD1 3.87Å; I744-I770 HydrophobicContact CD1-CG2 3.42Å; I744-I770 VanDerWaalsContact CD1-CG2 3.42Å; I744-I770 HydrophobicContact CG1-CG2 3.76Å; L763-I770 HydrophobicContact CB-CD1 3.72Å; L763-I770 HydrophobicContact CB-CG1 4.19Å; L763-I770 HydrophobicContact CD1-CD1 3.81Å; L763-I770 HydrophobicContact CG-CD1 4.46Å; Q764-I770 HydrophobicContact CG-CB 4.14Å; Q764-I770 HydrophobicContact CG-CG1 3.69Å
771	V	94.1	Very high	85.7	Confident	30 Å²	30	38.1 Å²	38.1	18%	0.182	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	94.1	171	-178.6	0	0	0	0	107.9	M742 V743 I744 L773 T785 V789	M742-V771 PolarHBondContact O-N 3.43Å; V743-V771 WeakPolarHBondContact CA-O 3.24Å; V743-V771 HydrophobicContact CG2-CB 4.01Å; V743-V771 HydrophobicContact CG2-CG1 4.31Å; I744-V771 PolarHBondContact N-O 2.89Å; V771-L773 HydrophobicContact CG1-CD2 4.44Å; V771-T785 HydrophobicContact CG1-CG2 3.89Å; V771-V789 HydrophobicContact CG2-CG1 4.46Å; V771-V789 HydrophobicContact CG2-CG2 4.24Å
772	D	92.9	Very high	86.4	Confident	60 Å²	60	38 Å²	38	32%	0.321	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	119.7	177.8	-168.3	-15.9	0	0	0	110.9	I744 K756 G774	I744-D772 HydrophobicContact CD1-CB 4.21Å; I744-D772 HydrophobicContact CG1-CB 3.93Å; K756-D772 WeakPolarHBondContact CE-OD1 3.48Å; K756-D772 IonicContact NZ-OD1 2.79Å; K756-D772 PolarHBondContact NZ-OD1 3.28Å; K756-D772 IonicContact NZ-OD2 3.36Å; K756-D772 PolarHBondContact NZ-OD2 3.45Å; D772-G774 PolarHBondContact OD1-N 2.62Å
773	L	92.5	Very high	87	Confident	26 Å²	26	38 Å²	38	14%	0.136	20%	0.201	C	C	.	.			trans	-90.3	-3.4	-179.7	-67.5	-178.9	0	0	0	114.1	V743 I744 A745 V771 V777 I782 T785	V743-L773 HydrophobicContact CG1-CD1 3.62Å; V743-L773 HydrophobicContact CG1-CG 4.07Å; I744-L773 PolarHBondContact O-N 3.25Å; A745-L773 HydrophobicContact CB-CB 4.1Å; A745-L773 HydrophobicContact CB-CD1 4.46Å; V771-L773 HydrophobicContact CG1-CD2 4.44Å; L773-V777 HydrophobicContact CB-CB 4.5Å; L773-V777 HydrophobicContact CB-CG1 3.89Å; L773-V777 HydrophobicContact CB-CG2 3.87Å; L773-V777 HydrophobicContact CD1-CG1 3.96Å; L773-V777 WeakPolarHBondContact O-CG2 3.34Å; L773-I782 HydrophobicContact CD1-CB 4.31Å; L773-I782 HydrophobicContact CD1-CG1 4.07Å; L773-T785 HydrophobicContact CD2-CG2 3.99Å
774	G	87.7	Confident	87.2	Confident	26 Å²	26	43.4 Å²	43.4	27%	0.268	22%	0.221	S	C	.	.			trans	81.7	-146.7	-177.8	0	0	0	0	0	113.3	T746 K756 D772 V777	T746-G774 PolarHBondContact N-O 3.14Å; K756-G774 WeakPolarHBondContact CE-O 3.12Å; D772-G774 PolarHBondContact OD1-N 2.62Å; G774-V777 WeakPolarHBondContact O-CG2 3.28Å
775	V	88.5	Confident	87.8	Confident	50 Å²	50	40.8 Å²	40.8	30%	0.303	21%	0.21	S	C	.	.	S	Bend	trans	-108.2	163.7	-176.4	-60.9	0	0	0	0	113.1	T746 V751 D753 V777	T746-V775 HydrophobicContact CG2-CG1 4.34Å; V751-V775 WeakPolarHBondContact O-CG1 3.14Å; D753-V775 HydrophobicContact CB-CG1 3.54Å; V775-V777 PolarHBondContact O-N 2.98Å
776	M	85	Confident	88.9	Confident	62 Å²	62	40.9 Å²	40.9	31%	0.305	21%	0.211	S	C	.	.	S	Bend	trans	54	38.4	-179.4	-58.8	179.6	-83.4	0	0	113.5	T746 D750 V751 P778 T1159	T746-M776 PolarHBondContact O-N 3.13Å; D750-M776 VanDerWaalsContact O-CG 3.23Å; D750-M776 WeakPolarHBondContact O-CG 3.28Å; D750-M776 PolarHBondContact O-N 3.35Å; V751-M776 HydrophobicContact CG1-CE 4.14Å; V751-M776 HydrophobicContact CG1-CG 3.98Å; V751-M776 HydrophobicContact CG1-SD 3.88Å; M776-P778 WeakPolarHBondContact O-CD 3.33Å; M776-T1159 HydrophobicContact SD-CG2 3.89Å
777	V	89.4	Confident	89.8	Confident	2 Å²	2	44.6 Å²	44.6	1%	0.012	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-85.7	121.6	-170.3	-168.4	0	0	0	0	111.3	A745 T746 K748 L773 G774 V775 K781 I782	A745-V777 HydrophobicContact CB-CB 3.95Å; A745-V777 HydrophobicContact CB-CG1 4.27Å; A745-V777 HydrophobicContact CB-CG2 3.94Å; T746-V777 PolarHBondContact O-N 3.29Å; K748-V777 PolarHBondContact N-O 3.48Å; K748-V777 VanDerWaalsContact N-O 3.08Å; L773-V777 HydrophobicContact CB-CB 4.5Å; L773-V777 HydrophobicContact CB-CG1 3.89Å; L773-V777 HydrophobicContact CB-CG2 3.87Å; L773-V777 HydrophobicContact CD1-CG1 3.96Å; L773-V777 WeakPolarHBondContact O-CG2 3.34Å; G774-V777 WeakPolarHBondContact O-CG2 3.28Å; V775-V777 PolarHBondContact O-N 2.98Å; V777-K781 HydrophobicContact CG1-CB 4.13Å; V777-K781 HydrophobicContact CG1-CD 4.01Å; V777-K781 HydrophobicContact CG1-CG 4.19Å; V777-I782 HydrophobicContact CB-CD1 4.35Å; V777-I782 HydrophobicContact CB-CG1 4.17Å; V777-I782 HydrophobicContact CG1-CD1 4.25Å; V777-I782 HydrophobicContact CG1-CG1 3.55Å
778	P	81.8	Confident	90.4	Very high	58 Å²	58	48.9 Å²	48.9	38%	0.377	25%	0.245	S	C	.	.			trans	-67.4	145.7	175.8	-20.4	33.5	0	0	0	112.8	M776 E780 K781 I782	M776-P778 WeakPolarHBondContact O-CD 3.33Å; P778-E780 VanDerWaalsContact C-N 3.25Å; P778-E780 PolarHBondContact O-N 3.38Å; P778-E780 VanDerWaalsContact O-N 3.16Å; P778-K781 WeakPolarHBondContact O-CB 3.48Å; P778-K781 PolarHBondContact O-N 2.98Å; P778-I782 PolarHBondContact O-N 2.87Å
779	A	87.2	Confident	90.7	Very high	11 Å²	11	49.7 Å²	49.7	9%	0.091	25%	0.252	C	S	.	.	H	α-helix	trans	-50.1	-42.6	178.3	0	0	0	0	0	113.2	K781 I782 L783 V810	A779-K781 VanDerWaalsContact C-N 3.33Å; A779-K781 PolarHBondContact O-N 2.93Å; A779-I782 PolarHBondContact O-N 3.38Å; A779-L783 WeakPolarHBondContact O-CG 3.44Å; A779-L783 PolarHBondContact O-N 3.41Å; A779-V810 HydrophobicContact CB-CG2 3.65Å
780	E	84.2	Confident	90.9	Very high	133 Å²	133	52.2 Å²	52.2	62%	0.621	27%	0.268	S	S	*	.	H	α-helix	trans	-58.7	-42	177.9	-170.7	-168	156.7	0	0	112.4	P778 R784	P778-E780 VanDerWaalsContact C-N 3.25Å; P778-E780 PolarHBondContact O-N 3.38Å; P778-E780 VanDerWaalsContact O-N 3.16Å; E780-R784 WeakPolarHBondContact O-CB 3.37Å; E780-R784 PolarHBondContact O-N 3.15Å; E780-R784 IonicContact OE1-NH1 3.56Å
781	K	86.9	Confident	91.1	Very high	85 Å²	85	51.4 Å²	51.4	37%	0.37	27%	0.265	S	S	.	.	H	α-helix	trans	-67	-43.4	179.1	-176.4	177.9	171.5	-160.1	0	110.5	V777 P778 A779 L783 T785	V777-K781 HydrophobicContact CG1-CB 4.13Å; V777-K781 HydrophobicContact CG1-CD 4.01Å; V777-K781 HydrophobicContact CG1-CG 4.19Å; P778-K781 WeakPolarHBondContact O-CB 3.48Å; P778-K781 PolarHBondContact O-N 2.98Å; A779-K781 VanDerWaalsContact C-N 3.33Å; A779-K781 PolarHBondContact O-N 2.93Å; K781-L783 PolarHBondContact O-N 3.43Å; K781-T785 WeakPolarHBondContact O-CB 3.41Å; K781-T785 PolarHBondContact O-N 3.27Å; K781-T785 PolarHBondContact O-OG1 2.95Å; K781-T785 VanDerWaalsContact O-OG1 3.12Å
782	I	94.5	Very high	91.3	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-56	-52.8	177.2	-59.8	173.1	0	0	0	110.3	V743 A745 L773 V777 P778 A779 A786 I794 L796 V810	V743-I782 HydrophobicContact CG1-CG2 4.28Å; A745-I782 HydrophobicContact CB-CD1 3.81Å; A745-I782 HydrophobicContact CB-CG1 3.91Å; L773-I782 HydrophobicContact CD1-CB 4.31Å; L773-I782 HydrophobicContact CD1-CG1 4.07Å; V777-I782 HydrophobicContact CB-CD1 4.35Å; V777-I782 HydrophobicContact CB-CG1 4.17Å; V777-I782 HydrophobicContact CG1-CD1 4.25Å; V777-I782 HydrophobicContact CG1-CG1 3.55Å; P778-I782 PolarHBondContact O-N 2.87Å; A779-I782 PolarHBondContact O-N 3.38Å; I782-A786 WeakPolarHBondContact O-CB 3.42Å; I782-A786 PolarHBondContact O-N 3.19Å; I782-I794 HydrophobicContact CG2-CG2 3.84Å; I782-L796 HydrophobicContact CD1-CD2 3.81Å; I782-L796 HydrophobicContact CG2-CD2 4.35Å; I782-V810 HydrophobicContact CD1-CG2 4.34Å
783	L	94	Very high	91.5	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-72.8	-37.7	-175	-61	-178.9	0	0	0	112.9	A779 K781 A786 K787 I794 V810 E813 M814 F819	A779-L783 WeakPolarHBondContact O-CG 3.44Å; A779-L783 PolarHBondContact O-N 3.41Å; K781-L783 PolarHBondContact O-N 3.43Å; L783-A786 PolarHBondContact O-N 3.4Å; L783-K787 PolarHBondContact O-N 3.3Å; L783-K787 VanDerWaalsContact O-N 3.13Å; L783-I794 HydrophobicContact CD2-CD1 3.76Å; L783-V810 HydrophobicContact CD2-CG1 4.3Å; L783-E813 HydrophobicContact CD1-CB 3.74Å; L783-E813 HydrophobicContact CD1-CG 3.29Å; L783-M814 HydrophobicContact CD1-CG 4.37Å; L783-M814 HydrophobicContact CD2-CG 3.4Å; L783-M814 HydrophobicContact CD2-SD 4.27Å; L783-F819 HydrophobicContact CB-CE2 3.97Å; L783-F819 HydrophobicContact CB-CZ 3.81Å; L783-F819 HydrophobicContact CD1-CE2 4.31Å; L783-F819 HydrophobicContact CD2-CD2 4.45Å; L783-F819 HydrophobicContact CD2-CE1 4.4Å; L783-F819 HydrophobicContact CD2-CE2 3.92Å; L783-F819 HydrophobicContact CD2-CZ 3.89Å; L783-F819 HydrophobicContact CG-CE2 4.28Å; L783-F819 HydrophobicContact CG-CZ 4.36Å; L783-F819 WeakPolarHBondContact O-CZ 3.23Å
784	R	91.5	Very high	91.8	Very high	113 Å²	113	49.2 Å²	49.2	43%	0.426	25%	0.252	S	S	.	.	H	α-helix	trans	-61.3	-49.9	174.4	-178	178.2	66.3	-133.8	-0.2	110.4	E780 A786 K787 E788	E780-R784 WeakPolarHBondContact O-CB 3.37Å; E780-R784 PolarHBondContact O-N 3.15Å; E780-R784 IonicContact OE1-NH1 3.56Å; R784-A786 VanDerWaalsContact C-N 3.35Å; R784-A786 PolarHBondContact O-N 3.02Å; R784-K787 PolarHBondContact O-N 3.23Å; R784-E788 WeakPolarHBondContact CD-OE1 3.4Å; R784-E788 HydrophobicContact CG-CG 4.34Å; R784-E788 VanDerWaalsContact CG-OE1 3.28Å; R784-E788 WeakPolarHBondContact CG-OE1 3.38Å; R784-E788 IonicContact NE-OE1 2.74Å; R784-E788 WeakPolarHBondContact O-CG 3.15Å; R784-E788 PolarHBondContact O-N 2.89Å
785	T	95.2	Very high	92.2	Very high	16 Å²	16	48.3 Å²	48.3	10%	0.098	24%	0.243	C	C	.	.	H	α-helix	trans	-62.3	-43.1	178.7	-61.3	0	0	0	0	111.1	V743 V771 L773 K781 K787 E788 V789	V743-T785 HydrophobicContact CG2-CG2 4.39Å; V771-T785 HydrophobicContact CG1-CG2 3.89Å; L773-T785 HydrophobicContact CD2-CG2 3.99Å; K781-T785 WeakPolarHBondContact O-CB 3.41Å; K781-T785 PolarHBondContact O-N 3.27Å; K781-T785 PolarHBondContact O-OG1 2.95Å; K781-T785 VanDerWaalsContact O-OG1 3.12Å; T785-K787 PolarHBondContact O-N 3.06Å; T785-E788 PolarHBondContact O-N 2.88Å; T785-V789 HydrophobicContact CG2-CG1 3.97Å; T785-V789 VanDerWaalsContact O-CG2 3.29Å; T785-V789 WeakPolarHBondContact O-CG2 3.3Å; T785-V789 PolarHBondContact O-N 3.41Å
786	A	96.8	Very high	92.6	Very high	4 Å²	4	46.2 Å²	46.2	3%	0.033	23%	0.231	C	C	.	.	H	α-helix	trans	-55.6	-36.8	176.1	0	0	0	0	0	113.3	V743 I782 L783 R784 N790 A791 I794 F819	V743-A786 HydrophobicContact CG2-CB 4.21Å; I782-A786 WeakPolarHBondContact O-CB 3.42Å; I782-A786 PolarHBondContact O-N 3.19Å; L783-A786 PolarHBondContact O-N 3.4Å; R784-A786 VanDerWaalsContact C-N 3.35Å; R784-A786 PolarHBondContact O-N 3.02Å; A786-N790 PolarHBondContact O-N 2.97Å; A786-A791 HydrophobicContact CB-CB 4.07Å; A786-A791 PolarHBondContact O-N 2.98Å; A786-I794 HydrophobicContact CB-CD1 3.72Å; A786-I794 HydrophobicContact CB-CG1 4.05Å; A786-F819 HydrophobicContact CB-CE1 4.09Å
787	K	93.6	Very high	93	Very high	99 Å²	99	44.1 Å²	44.1	43%	0.43	22%	0.222	S	C	.	.	H	α-helix	trans	-72.2	-45.1	172.6	-74.3	175	173.5	175.1	0	112.7	L783 R784 T785 V789 N790 F819	L783-K787 PolarHBondContact O-N 3.3Å; L783-K787 VanDerWaalsContact O-N 3.13Å; R784-K787 PolarHBondContact O-N 3.23Å; T785-K787 PolarHBondContact O-N 3.06Å; K787-V789 VanDerWaalsContact C-N 3.31Å; K787-V789 PolarHBondContact O-N 3.33Å; K787-N790 PolarHBondContact O-N 3.31Å; K787-F819 HydrophobicContact CD-CE2 4.45Å; K787-F819 HydrophobicContact CD-CZ 4Å; K787-F819 VanDerWaalsContact CE-CZ 3.48Å; K787-F819 HydrophobicContact CG-CE1 4.07Å; K787-F819 HydrophobicContact CG-CZ 3.73Å
788	E	94.2	Very high	92.8	Very high	128 Å²	128	44 Å²	44	60%	0.598	22%	0.221	S	C	*	.	H	α-helix	trans	-61.2	-39.6	-178.1	-73.9	169.7	173.4	0	0	112.1	R784 T785	R784-E788 WeakPolarHBondContact CD-OE1 3.4Å; R784-E788 HydrophobicContact CG-CG 4.34Å; R784-E788 VanDerWaalsContact CG-OE1 3.28Å; R784-E788 WeakPolarHBondContact CG-OE1 3.38Å; R784-E788 IonicContact NE-OE1 2.74Å; R784-E788 WeakPolarHBondContact O-CG 3.15Å; R784-E788 PolarHBondContact O-N 2.89Å; T785-E788 PolarHBondContact O-N 2.88Å
789	V	93.4	Very high	92.8	Very high	37 Å²	37	44.9 Å²	44.9	22%	0.224	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-2.8	-178	-52.3	0	0	0	0	113.6	K741 V743 V771 T785 K787 A791	K741-V789 HydrophobicContact CD-CB 3.97Å; K741-V789 HydrophobicContact CD-CG2 3.75Å; K741-V789 WeakPolarHBondContact CD-O 3.48Å; K741-V789 HydrophobicContact CG-CG2 4.45Å; K741-V789 PolarHBondContact NZ-O 3.29Å; V743-V789 HydrophobicContact CG2-CG2 3.9Å; V771-V789 HydrophobicContact CG2-CG1 4.46Å; V771-V789 HydrophobicContact CG2-CG2 4.24Å; T785-V789 HydrophobicContact CG2-CG1 3.97Å; T785-V789 VanDerWaalsContact O-CG2 3.29Å; T785-V789 WeakPolarHBondContact O-CG2 3.3Å; T785-V789 PolarHBondContact O-N 3.41Å; K787-V789 VanDerWaalsContact C-N 3.31Å; K787-V789 PolarHBondContact O-N 3.33Å; V789-A791 HydrophobicContact CG2-CB 4.01Å
790	N	93.6	Very high	92.3	Very high	132 Å²	132	44.8 Å²	44.8	71%	0.706	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.8	58.9	-169.7	-57.3	-70.8	0	0	0	111.8	A786 K787	A786-N790 PolarHBondContact O-N 2.97Å; K787-N790 PolarHBondContact O-N 3.31Å
791	A	96.4	Very high	91.8	Very high	8 Å²	8	39.8 Å²	39.8	7%	0.066	20%	0.199	C	C	.	.			trans	-67.3	140.3	179.3	0	0	0	0	0	111.8	K741 V743 A786 V789 I821	K741-A791 HydrophobicContact CG-CB 4.49Å; V743-A791 HydrophobicContact CB-CB 4.46Å; V743-A791 HydrophobicContact CG2-CB 3.76Å; A786-A791 HydrophobicContact CB-CB 4.07Å; A786-A791 PolarHBondContact O-N 2.98Å; V789-A791 HydrophobicContact CG2-CB 4.01Å; A791-I821 WeakPolarHBondContact O-CD1 3.45Å
792	D	97.3	Very high	91.1	Very high	69 Å²	69	36.6 Å²	36.6	37%	0.369	19%	0.187	S	C	.	.	S	Bend	trans	-86.5	-25.7	175.2	-58.1	-65.1	0	0	0	112.2	G740 K741 I821 P822 L864	G740-D792 WeakPolarHBondContact CA-OD2 3.5Å; K741-D792 PolarHBondContact N-OD2 3.43Å; K741-D792 WeakPolarHBondContact O-CA 3.42Å; K741-D792 WeakPolarHBondContact O-CB 3.22Å; K741-D792 PolarHBondContact O-N 3.46Å; D792-I821 WeakPolarHBondContact O-CB 3.2Å; D792-P822 VanDerWaalsContact O-CD 3.23Å; D792-P822 WeakPolarHBondContact O-CD 3.44Å; D792-L864 HydrophobicContact CB-CD2 3.74Å
793	L	97.4	Very high	90.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	159	174	-41.7	94	0	0	0	112.5	K741 M742 V743 P822 L824 V860 L863 L864	K741-L793 PolarHBondContact O-N 3.04Å; K741-L793 VanDerWaalsContact O-N 3.11Å; M742-L793 WeakPolarHBondContact CA-O 3.46Å; M742-L793 HydrophobicContact CB-CB 4.49Å; M742-L793 HydrophobicContact CB-CD1 4.39Å; M742-L793 HydrophobicContact CG-CB 4.1Å; V743-L793 PolarHBondContact N-O 3.27Å; L793-P822 HydrophobicContact CD2-CB 4.13Å; L793-P822 HydrophobicContact CD2-CG 4.26Å; L793-P822 HydrophobicContact CG-CG 4.48Å; L793-L824 HydrophobicContact CB-CD1 4.23Å; L793-L824 HydrophobicContact CD2-CD1 3.71Å; L793-V860 HydrophobicContact CD1-CG1 3.95Å; L793-V860 HydrophobicContact CD2-CB 4.49Å; L793-V860 HydrophobicContact CD2-CG1 4.11Å; L793-V860 HydrophobicContact CD2-CG2 4.18Å; L793-L863 HydrophobicContact CD2-CB 4.25Å; L793-L863 HydrophobicContact CD2-CD1 4.12Å; L793-L864 HydrophobicContact CD1-CD1 3.72Å; L793-L864 HydrophobicContact CD1-CD2 3.82Å; L793-L864 HydrophobicContact CD1-CG 3.92Å; L793-L864 HydrophobicContact CG-CD2 4.15Å; L793-L864 HydrophobicContact CG-CG 4.5Å
794	I	98.3	Very high	90.1	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	132	169	-63.4	177	0	0	0	109.1	V743 I782 L783 A786 L796 M814 F819 I821 P822 L823 L824	V743-I794 CarbonylContact O-C 3.56Å; V743-I794 WeakPolarHBondContact O-CA 3.12Å; I782-I794 HydrophobicContact CG2-CG2 3.84Å; L783-I794 HydrophobicContact CD2-CD1 3.76Å; A786-I794 HydrophobicContact CB-CD1 3.72Å; A786-I794 HydrophobicContact CB-CG1 4.05Å; I794-L796 HydrophobicContact CG2-CD2 4.01Å; I794-L796 HydrophobicContact CG2-CG 4.43Å; I794-M814 HydrophobicContact CD1-CE 3.92Å; I794-M814 HydrophobicContact CD1-SD 4.14Å; I794-F819 HydrophobicContact CD1-CE1 4.36Å; I794-I821 HydrophobicContact CD1-CD1 3.99Å; I794-I821 HydrophobicContact CG1-CD1 3.84Å; I794-P822 PolarHBondContact N-O 3.22Å; I794-L823 HydrophobicContact CB-CD1 4.33Å; I794-L823 HydrophobicContact CG2-CD1 4.06Å; I794-L823 CarbonylContact O-C 3.53Å; I794-L823 WeakPolarHBondContact O-CA 3.43Å; I794-L824 PolarHBondContact O-N 3.1Å
795	G	97.2	Very high	89.5	Confident	8 Å²	8	34.1 Å²	34.1	8%	0.082	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	134.6	170.9	0	0	0	0	0	112.9	V743 I744 A745 L824	V743-G795 PolarHBondContact O-N 2.68Å; I744-G795 WeakPolarHBondContact CA-O 3.29Å; A745-G795 PolarHBondContact N-O 3.1Å; A745-G795 VanDerWaalsContact N-O 3.11Å; G795-L824 WeakPolarHBondContact CA-O 3.47Å
796	L	97.2	Very high	89	Confident	6 Å²	6	34.8 Å²	34.8	3%	0.031	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	136.4	178.7	-55.5	-178.4	0	0	0	110.7	V747 I782 I794 M807 V810 L823 L824 I825 G826	V747-L796 HydrophobicContact CG1-CB 4.05Å; V747-L796 HydrophobicContact CG1-CD1 4.27Å; V747-L796 HydrophobicContact CG1-CD2 4.17Å; V747-L796 HydrophobicContact CG1-CG 4.4Å; I782-L796 HydrophobicContact CD1-CD2 3.81Å; I782-L796 HydrophobicContact CG2-CD2 4.35Å; I794-L796 HydrophobicContact CG2-CD2 4.01Å; I794-L796 HydrophobicContact CG2-CG 4.43Å; L796-M807 HydrophobicContact CB-CE 4.44Å; L796-M807 HydrophobicContact CB-CG 4.16Å; L796-M807 HydrophobicContact CD1-CB 4.2Å; L796-M807 HydrophobicContact CD1-CG 4.02Å; L796-V810 HydrophobicContact CD1-CB 3.79Å; L796-V810 HydrophobicContact CD1-CG1 3.8Å; L796-V810 HydrophobicContact CD1-CG2 4.06Å; L796-V810 HydrophobicContact CD2-CG1 4.48Å; L796-L823 HydrophobicContact CD1-CD1 3.84Å; L796-L823 HydrophobicContact CG-CD1 3.9Å; L796-L824 PolarHBondContact N-O 2.9Å; L796-I825 HydrophobicContact CB-CD1 4.24Å; L796-I825 HydrophobicContact CD1-CD1 4.07Å; L796-I825 HydrophobicContact CG-CD1 4.47Å; L796-G826 PolarHBondContact O-N 3.04Å
797	S	92.6	Very high	88.9	Confident	17 Å²	17	34.6 Å²	34.6	12%	0.119	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	143.6	174.3	-164.6	0	0	0	0	111.7	A745 T746 V747 G826	A745-S797 PolarHBondContact O-N 3.42Å; T746-S797 WeakPolarHBondContact CA-O 3.39Å; V747-S797 PolarHBondContact N-O 2.7Å; S797-G826 WeakPolarHBondContact CA-O 3.39Å
798	G	85.8	Confident	88.7	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.167	C	C	.	.			trans	-158.8	138.6	172.9	0	0	0	0	0	112.8	D750 M807 G826 G827 A828 T829	D750-G798 VanDerWaalsContact OD2-CA 3.29Å; D750-G798 WeakPolarHBondContact OD2-CA 3.16Å; G798-M807 VanDerWaalsContact N-CE 3.25Å; G798-G826 PolarHBondContact N-O 2.94Å; G798-G827 CarbonylContact O-C 3.57Å; G798-G827 VanDerWaalsContact O-C 3.28Å; G798-G827 WeakPolarHBondContact O-CA 3.45Å; G798-A828 PolarHBondContact O-N 3.23Å; G798-T829 PolarHBondContact O-OG1 3.34Å
799	L	82.3	Confident	88.3	Confident	76 Å²	76	28 Å²	28	40%	0.398	16%	0.156	S	C	.	.			trans	-111.6	-21.6	179.9	-171	144.4	0	0	0	112.7	D750 H752 A828 T829	D750-L799 PolarHBondContact OD2-N 3.13Å; H752-L799 HydrophobicContact CB-CB 3.69Å; H752-L799 HydrophobicContact CB-CD1 3.85Å; H752-L799 HydrophobicContact CB-CG 4.27Å; L799-A828 HydrophobicContact CD1-CB 4.49Å; L799-A828 HydrophobicContact CG-CB 4.21Å; L799-T829 VanDerWaalsContact C-OG1 3.3Å; L799-T829 WeakPolarHBondContact O-CG2 3.35Å; L799-T829 PolarHBondContact O-OG1 3Å
800	I	76.3	Confident	88.3	Confident	10 Å²	10	26.3 Å²	26.3	5%	0.051	15%	0.146	C	C	.	.	S	Bend	trans	-104.3	157.1	178.8	63.3	171.7	0	0	0	111.7	D750 P802 S803 T829 A1163	D750-I800 HydrophobicContact CB-CG1 4.39Å; D750-I800 PolarHBondContact OD2-N 3.17Å; I800-P802 HydrophobicContact CD1-CB 4.36Å; I800-P802 HydrophobicContact CD1-CG 4.19Å; I800-P802 HydrophobicContact CG1-CG 4.48Å; I800-S803 WeakPolarHBondContact CG1-OG 3.49Å; I800-S803 WeakPolarHBondContact O-CB 3.41Å; I800-S803 PolarHBondContact O-N 2.82Å; I800-S803 PolarHBondContact O-OG 3.15Å; I800-T829 PolarHBondContact O-OG1 3.44Å; I800-A1163 HydrophobicContact CD1-CB 4.14Å
801	T	72.4	Confident	88.4	Confident	28 Å²	28	20 Å²	20	17%	0.172	11%	0.112	C	C	.	.	H	α-helix	trans	-54.9	-46.5	178.9	-70.1	0	0	0	0	113.5	S803 L804 P1213	T801-S803 PolarHBondContact O-N 3.27Å; T801-S803 VanDerWaalsContact O-N 3.09Å; T801-L804 WeakPolarHBondContact O-CB 3.46Å; T801-L804 WeakPolarHBondContact O-CG 3.49Å; T801-L804 PolarHBondContact O-N 3.29Å; T801-P1213 VanDerWaalsContact CG2-CD 3.49Å; T801-P1213 HydrophobicContact CG2-CG 3.25Å
802	P	72.8	Confident	88.1	Confident	18 Å²	18	24.9 Å²	24.9	12%	0.117	13%	0.132	C	C	.	.	H	α-helix	trans	-57.8	-25	178.6	-26.5	34.4	0	0	0	114.7	I800 L804 D805 W1210	I800-P802 HydrophobicContact CD1-CB 4.36Å; I800-P802 HydrophobicContact CD1-CG 4.19Å; I800-P802 HydrophobicContact CG1-CG 4.48Å; P802-L804 PolarHBondContact O-N 2.92Å; P802-D805 PolarHBondContact O-N 3.28Å; P802-W1210 HydrophobicContact CB-CZ3 4.17Å; P802-W1210 HydrophobicContact CG-CE3 3.82Å; P802-W1210 HydrophobicContact CG-CH2 4.39Å; P802-W1210 HydrophobicContact CG-CZ3 3.38Å
803	S	82.5	Confident	87.8	Confident	1 Å²	1	23.4 Å²	23.4	1%	0.007	12%	0.123	C	C	.	.	H	α-helix	trans	-62.4	-28.7	177.8	-55	0	0	0	0	112.3	V747 D750 I800 T801 E806 M807	V747-S803 VanDerWaalsContact CG2-CB 3.48Å; D750-S803 WeakPolarHBondContact CB-OG 3.06Å; D750-S803 PolarHBondContact OD2-OG 3.28Å; I800-S803 WeakPolarHBondContact CG1-OG 3.49Å; I800-S803 WeakPolarHBondContact O-CB 3.41Å; I800-S803 PolarHBondContact O-N 2.82Å; I800-S803 PolarHBondContact O-OG 3.15Å; T801-S803 PolarHBondContact O-N 3.27Å; T801-S803 VanDerWaalsContact O-N 3.09Å; S803-E806 PolarHBondContact O-N 3.1Å; S803-M807 VanDerWaalsContact O-CG 3.31Å; S803-M807 WeakPolarHBondContact O-CG 3.48Å; S803-M807 PolarHBondContact O-N 3.08Å
804	L	84.3	Confident	87.8	Confident	8 Å²	8	23.4 Å²	23.4	4%	0.042	12%	0.123	C	C	.	.	H	α-helix	trans	-64.5	-40.9	178.8	-62.2	177.7	0	0	0	112	T801 P802 E806 M807 V808 T830	T801-L804 WeakPolarHBondContact O-CB 3.46Å; T801-L804 WeakPolarHBondContact O-CG 3.49Å; T801-L804 PolarHBondContact O-N 3.29Å; P802-L804 PolarHBondContact O-N 2.92Å; L804-E806 VanDerWaalsContact C-N 3.35Å; L804-M807 HydrophobicContact CD2-SD 4.24Å; L804-M807 WeakPolarHBondContact O-CB 3.35Å; L804-M807 PolarHBondContact O-N 3.22Å; L804-V808 WeakPolarHBondContact O-CG2 3.26Å; L804-V808 PolarHBondContact O-N 2.74Å; L804-T830 HydrophobicContact CD2-CG2 3.78Å
805	D	80.6	Confident	87.6	Confident	51 Å²	51	27.4 Å²	27.4	27%	0.273	14%	0.142	S	C	.	.	H	α-helix	trans	-66	-39	176.9	-73.4	-22	0	0	0	111.7	P802 M807 V808 N809	P802-D805 PolarHBondContact O-N 3.28Å; D805-M807 VanDerWaalsContact C-N 3.3Å; D805-M807 PolarHBondContact O-N 3.24Å; D805-V808 WeakPolarHBondContact O-CB 3.21Å; D805-V808 PolarHBondContact O-N 2.83Å; D805-N809 PolarHBondContact O-N 2.92Å
806	E	85	Confident	87.4	Confident	31 Å²	31	35.6 Å²	35.6	15%	0.145	17%	0.17	C	C	.	.	H	α-helix	trans	-65.2	-34.9	174.8	-68.2	-60.5	150.6	0	0	111.5	V747 K748 S803 L804 N809 V810 R1209	V747-E806 HydrophobicContact CB-CB 4.02Å; V747-E806 HydrophobicContact CG2-CB 4.08Å; K748-E806 HydrophobicContact CB-CG 4.34Å; S803-E806 PolarHBondContact O-N 3.1Å; L804-E806 VanDerWaalsContact C-N 3.35Å; E806-N809 WeakPolarHBondContact O-CB 3.48Å; E806-N809 PolarHBondContact O-N 3.29Å; E806-V810 WeakPolarHBondContact O-CG2 3.37Å; E806-V810 PolarHBondContact O-N 2.88Å; E806-R1209 IonicContact OE1-NH2 3.64Å
807	M	92.7	Very high	87.2	Confident	0 Å²	0	38 Å²	38	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-64.7	-40.4	172.1	-66.8	170.8	-175.2	0	0	112.2	V747 L796 G798 S803 L804 D805 N809 V810 A811 I825 T830 I839	V747-M807 HydrophobicContact CG1-CG 3.99Å; L796-M807 HydrophobicContact CB-CE 4.44Å; L796-M807 HydrophobicContact CB-CG 4.16Å; L796-M807 HydrophobicContact CD1-CB 4.2Å; L796-M807 HydrophobicContact CD1-CG 4.02Å; G798-M807 VanDerWaalsContact N-CE 3.25Å; S803-M807 VanDerWaalsContact O-CG 3.31Å; S803-M807 WeakPolarHBondContact O-CG 3.48Å; S803-M807 PolarHBondContact O-N 3.08Å; L804-M807 HydrophobicContact CD2-SD 4.24Å; L804-M807 WeakPolarHBondContact O-CB 3.35Å; L804-M807 PolarHBondContact O-N 3.22Å; D805-M807 VanDerWaalsContact C-N 3.3Å; D805-M807 PolarHBondContact O-N 3.24Å; M807-N809 VanDerWaalsContact C-N 3.32Å; M807-V810 PolarHBondContact O-N 3.13Å; M807-A811 PolarHBondContact O-N 3.44Å; M807-I825 HydrophobicContact CB-CD1 4.24Å; M807-I825 HydrophobicContact CG-CD1 4.37Å; M807-I825 HydrophobicContact SD-CD1 4.35Å; M807-I825 HydrophobicContact SD-CG2 3.71Å; M807-T830 HydrophobicContact CE-CG2 3.76Å; M807-T830 HydrophobicContact SD-CG2 3.8Å; M807-I839 HydrophobicContact CB-CD1 3.94Å; M807-I839 HydrophobicContact SD-CD1 4.36Å
808	V	89.4	Confident	87.1	Confident	16 Å²	16	39.9 Å²	39.9	10%	0.097	20%	0.203	C	C	.	.	H	α-helix	trans	-61.8	-42.3	172.7	175.7	0	0	0	0	110.8	L804 D805 A811 K812 K838 I839	L804-V808 WeakPolarHBondContact O-CG2 3.26Å; L804-V808 PolarHBondContact O-N 2.74Å; D805-V808 WeakPolarHBondContact O-CB 3.21Å; D805-V808 PolarHBondContact O-N 2.83Å; V808-A811 PolarHBondContact O-N 2.71Å; V808-K812 HydrophobicContact CG1-CD 4.37Å; V808-K812 WeakPolarHBondContact O-CG 3.44Å; V808-K812 PolarHBondContact O-N 3Å; V808-K838 HydrophobicContact CG2-CB 4.25Å; V808-K838 WeakPolarHBondContact CG2-O 3.47Å; V808-I839 HydrophobicContact CG2-CG1 3.78Å
809	N	86.4	Confident	87.6	Confident	71 Å²	71	40.7 Å²	40.7	38%	0.38	21%	0.207	S	C	.	.	H	α-helix	trans	-61.6	-43.8	177.4	-177	40	0	0	0	111.8	D805 E806 M807 A811 K812 E813	D805-N809 PolarHBondContact O-N 2.92Å; E806-N809 WeakPolarHBondContact O-CB 3.48Å; E806-N809 PolarHBondContact O-N 3.29Å; M807-N809 VanDerWaalsContact C-N 3.32Å; N809-A811 PolarHBondContact O-N 3.17Å; N809-K812 PolarHBondContact O-N 3.34Å; N809-E813 WeakPolarHBondContact O-CB 3.49Å; N809-E813 PolarHBondContact O-N 3.31Å
810	V	93.7	Very high	88.1	Confident	2 Å²	2	42 Å²	42	1%	0.012	22%	0.219	C	C	.	.	H	α-helix	trans	-60	-45.5	174.1	175.5	0	0	0	0	111	A779 I782 L783 L796 E806 M807 K812 E813 M814	A779-V810 HydrophobicContact CB-CG2 3.65Å; I782-V810 HydrophobicContact CD1-CG2 4.34Å; L783-V810 HydrophobicContact CD2-CG1 4.3Å; L796-V810 HydrophobicContact CD1-CB 3.79Å; L796-V810 HydrophobicContact CD1-CG1 3.8Å; L796-V810 HydrophobicContact CD1-CG2 4.06Å; L796-V810 HydrophobicContact CD2-CG1 4.48Å; E806-V810 WeakPolarHBondContact O-CG2 3.37Å; E806-V810 PolarHBondContact O-N 2.88Å; M807-V810 PolarHBondContact O-N 3.13Å; V810-K812 PolarHBondContact O-N 3.14Å; V810-E813 PolarHBondContact O-N 3.32Å; V810-M814 HydrophobicContact CG1-CG 4.25Å; V810-M814 HydrophobicContact CG1-SD 4.1Å; V810-M814 WeakPolarHBondContact O-CB 3.5Å; V810-M814 VanDerWaalsContact O-CG 3.31Å; V810-M814 WeakPolarHBondContact O-CG 3.41Å; V810-M814 PolarHBondContact O-N 3.32Å
811	A	94.9	Very high	89.1	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-59.1	-46.8	177.6	0	0	0	0	0	112.3	M807 V808 N809 E813 M814 E815 L823 I839 N842	M807-A811 PolarHBondContact O-N 3.44Å; V808-A811 PolarHBondContact O-N 2.71Å; N809-A811 PolarHBondContact O-N 3.17Å; A811-E813 VanDerWaalsContact C-N 3.3Å; A811-E813 PolarHBondContact O-N 3.11Å; A811-M814 WeakPolarHBondContact O-CB 3.41Å; A811-M814 PolarHBondContact O-N 3.01Å; A811-E815 PolarHBondContact O-N 3.35Å; A811-E815 VanDerWaalsContact O-N 3.09Å; A811-L823 HydrophobicContact CB-CD2 3.93Å; A811-I839 HydrophobicContact CB-CG2 3.97Å; A811-N842 CarbonylContact C-O 3.48Å; A811-N842 HydrophobicContact CB-CB 4.16Å
812	K	90.8	Very high	90.3	Very high	110 Å²	110	41.9 Å²	41.9	48%	0.478	22%	0.217	S	C	.	.	H	α-helix	trans	-58.7	-42	175.1	-72.7	178.2	178.4	173.5	0	112.1	V808 N809 V810 E815 R816 N842	V808-K812 HydrophobicContact CG1-CD 4.37Å; V808-K812 WeakPolarHBondContact O-CG 3.44Å; V808-K812 PolarHBondContact O-N 3Å; N809-K812 PolarHBondContact O-N 3.34Å; V810-K812 PolarHBondContact O-N 3.14Å; K812-E815 PolarHBondContact O-N 2.91Å; K812-R816 WeakPolarHBondContact O-CB 3.36Å; K812-R816 PolarHBondContact O-N 3.25Å; K812-N842 WeakPolarHBondContact CE-OD1 3.44Å; K812-N842 HydrophobicContact CG-CB 3.66Å; K812-N842 WeakPolarHBondContact CG-OD1 3.25Å
813	E	90.3	Very high	91.5	Very high	38 Å²	38	41 Å²	41	18%	0.178	21%	0.211	C	C	.	.	H	α-helix	trans	-73.9	-33.3	-178.3	-173	60.7	-160.1	0	0	112.2	L783 N809 V810 A811 R816 Q817	L783-E813 HydrophobicContact CD1-CB 3.74Å; L783-E813 HydrophobicContact CD1-CG 3.29Å; N809-E813 WeakPolarHBondContact O-CB 3.49Å; N809-E813 PolarHBondContact O-N 3.31Å; V810-E813 PolarHBondContact O-N 3.32Å; A811-E813 VanDerWaalsContact C-N 3.3Å; A811-E813 PolarHBondContact O-N 3.11Å; E813-R816 VanDerWaalsContact CD-NE 3.29Å; E813-R816 PolarHBondContact O-N 3.48Å; E813-R816 IonicContact OE1-CZ 3.47Å; E813-R816 VanDerWaalsContact OE1-CZ 3.24Å; E813-R816 IonicContact OE1-NE 2.83Å; E813-R816 PolarHBondContact OE1-NE 2.89Å; E813-R816 VanDerWaalsContact OE1-NE 3.1Å; E813-R816 IonicContact OE1-NH2 2.71Å; E813-R816 PolarHBondContact OE1-NH2 2.68Å; E813-R816 IonicContact OE2-CZ 3.35Å; E813-R816 IonicContact OE2-NE 3.85Å; E813-R816 PolarHBondContact OE2-NE 3.3Å; E813-R816 IonicContact OE2-NH2 3.88Å; E813-Q817 HydrophobicContact CG-CG 4.41Å; E813-Q817 WeakPolarHBondContact O-CB 3.41Å; E813-Q817 WeakPolarHBondContact O-CG 3.3Å; E813-Q817 PolarHBondContact O-N 2.88Å; E813-Q817 WeakPolarHBondContact OE1-CG 3.33Å; E813-Q817 PolarHBondContact OE1-NE2 3.45Å
814	M	97.4	Very high	92.2	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-58.7	-46.9	169.6	-76.3	-179.4	73.8	0	0	111.1	L783 I794 V810 A811 Q817 G818 F819 I821 L823 Y843	L783-M814 HydrophobicContact CD1-CG 4.37Å; L783-M814 HydrophobicContact CD2-CG 3.4Å; L783-M814 HydrophobicContact CD2-SD 4.27Å; I794-M814 HydrophobicContact CD1-CE 3.92Å; I794-M814 HydrophobicContact CD1-SD 4.14Å; V810-M814 HydrophobicContact CG1-CG 4.25Å; V810-M814 HydrophobicContact CG1-SD 4.1Å; V810-M814 WeakPolarHBondContact O-CB 3.5Å; V810-M814 VanDerWaalsContact O-CG 3.31Å; V810-M814 WeakPolarHBondContact O-CG 3.41Å; V810-M814 PolarHBondContact O-N 3.32Å; A811-M814 WeakPolarHBondContact O-CB 3.41Å; A811-M814 PolarHBondContact O-N 3.01Å; M814-Q817 PolarHBondContact O-N 3.02Å; M814-G818 PolarHBondContact O-N 3Å; M814-G818 VanDerWaalsContact O-N 3.11Å; M814-F819 HydrophobicContact CB-CB 4.05Å; M814-F819 HydrophobicContact CB-CD2 4.29Å; M814-F819 HydrophobicContact CB-CG 4.37Å; M814-F819 HydrophobicContact CE-CB 4.01Å; M814-F819 HydrophobicContact CE-CD1 4.49Å; M814-F819 HydrophobicContact CE-CG 4.36Å; M814-F819 HydrophobicContact CG-CB 4.39Å; M814-F819 HydrophobicContact CG-CD2 4.31Å; M814-F819 HydrophobicContact CG-CG 4.32Å; M814-F819 PolarHBondContact O-N 2.82Å; M814-I821 HydrophobicContact CE-CG1 4.17Å; M814-L823 HydrophobicContact CE-CB 4.28Å; M814-L823 HydrophobicContact SD-CB 4.22Å; M814-L823 HydrophobicContact SD-CD1 3.96Å; M814-L823 HydrophobicContact SD-CD2 4.05Å; M814-L823 HydrophobicContact SD-CG 4.3Å; M814-Y843 HydrophobicContact CB-CD2 3.82Å; M814-Y843 HydrophobicContact CB-CE2 3.78Å; M814-Y843 HydrophobicContact CB-CG 4.39Å; M814-Y843 HydrophobicContact CE-CD1 4.43Å; M814-Y843 HydrophobicContact CE-CE1 3.69Å; M814-Y843 HydrophobicContact CE-CE2 4.27Å
815	E	95.8	Very high	92.8	Very high	85 Å²	85	41 Å²	41	40%	0.397	21%	0.211	S	C	.	.	H	α-helix	trans	-61.5	-49.7	175.5	-171.2	66.4	-161.8	0	0	111.2	A811 K812 Q817 G818 Y843 S844	A811-E815 PolarHBondContact O-N 3.35Å; A811-E815 VanDerWaalsContact O-N 3.09Å; K812-E815 PolarHBondContact O-N 2.91Å; E815-Q817 VanDerWaalsContact C-N 3.26Å; E815-Q817 PolarHBondContact O-N 2.85Å; E815-G818 PolarHBondContact O-N 2.75Å; E815-Y843 HydrophobicContact CB-CD2 4.2Å; E815-Y843 WeakPolarHBondContact OE2-CD2 3.46Å; E815-S844 PolarHBondContact OE1-OG 3.32Å; E815-S844 VanDerWaalsContact OE2-CB 3.31Å; E815-S844 WeakPolarHBondContact OE2-CB 3.5Å; E815-S844 PolarHBondContact OE2-N 2.82Å; E815-S844 PolarHBondContact OE2-OG 3.49Å
816	R	92.7	Very high	93.3	Very high	179 Å²	179	39.3 Å²	39.3	68%	0.675	21%	0.205	S	C	*	.	H	α-helix	trans	-58.5	-37	179.9	-167.3	-171.2	75.9	84	-3.4	112.7	K812 E813	K812-R816 WeakPolarHBondContact O-CB 3.36Å; K812-R816 PolarHBondContact O-N 3.25Å; E813-R816 VanDerWaalsContact CD-NE 3.29Å; E813-R816 PolarHBondContact O-N 3.48Å; E813-R816 IonicContact OE1-CZ 3.47Å; E813-R816 VanDerWaalsContact OE1-CZ 3.24Å; E813-R816 IonicContact OE1-NE 2.83Å; E813-R816 PolarHBondContact OE1-NE 2.89Å; E813-R816 VanDerWaalsContact OE1-NE 3.1Å; E813-R816 IonicContact OE1-NH2 2.71Å; E813-R816 PolarHBondContact OE1-NH2 2.68Å; E813-R816 IonicContact OE2-CZ 3.35Å; E813-R816 IonicContact OE2-NE 3.85Å; E813-R816 PolarHBondContact OE2-NE 3.3Å; E813-R816 IonicContact OE2-NH2 3.88Å
817	Q	91.8	Very high	93.3	Very high	56 Å²	56	39.2 Å²	39.2	26%	0.262	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	0.4	-179.7	-68.8	-164.4	36.9	0	0	114.1	E813 M814 E815 F819	E813-Q817 HydrophobicContact CG-CG 4.41Å; E813-Q817 WeakPolarHBondContact O-CB 3.41Å; E813-Q817 WeakPolarHBondContact O-CG 3.3Å; E813-Q817 PolarHBondContact O-N 2.88Å; E813-Q817 WeakPolarHBondContact OE1-CG 3.33Å; E813-Q817 PolarHBondContact OE1-NE2 3.45Å; M814-Q817 PolarHBondContact O-N 3.02Å; E815-Q817 VanDerWaalsContact C-N 3.26Å; E815-Q817 PolarHBondContact O-N 2.85Å; Q817-F819 HydrophobicContact CB-CD2 3.82Å; Q817-F819 HydrophobicContact CB-CE2 3.76Å
818	G	91.1	Very high	92.5	Very high	57 Å²	57	43.3 Å²	43.3	59%	0.588	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.9	32.6	175.9	0	0	0	0	0	114.7	M814 E815	M814-G818 PolarHBondContact O-N 3Å; M814-G818 VanDerWaalsContact O-N 3.11Å; E815-G818 PolarHBondContact O-N 2.75Å
819	F	95.7	Very high	91.5	Very high	18 Å²	18	44.7 Å²	44.7	8%	0.079	26%	0.256	C	S	.	.			trans	-67.3	149.6	170.3	-76.5	-99.3	0	0	0	110.8	L783 A786 K787 I794 M814 Q817 I821 Y843	L783-F819 HydrophobicContact CB-CE2 3.97Å; L783-F819 HydrophobicContact CB-CZ 3.81Å; L783-F819 HydrophobicContact CD1-CE2 4.31Å; L783-F819 HydrophobicContact CD2-CD2 4.45Å; L783-F819 HydrophobicContact CD2-CE1 4.4Å; L783-F819 HydrophobicContact CD2-CE2 3.92Å; L783-F819 HydrophobicContact CD2-CZ 3.89Å; L783-F819 HydrophobicContact CG-CE2 4.28Å; L783-F819 HydrophobicContact CG-CZ 4.36Å; L783-F819 WeakPolarHBondContact O-CZ 3.23Å; A786-F819 HydrophobicContact CB-CE1 4.09Å; K787-F819 HydrophobicContact CD-CE2 4.45Å; K787-F819 HydrophobicContact CD-CZ 4Å; K787-F819 VanDerWaalsContact CE-CZ 3.48Å; K787-F819 HydrophobicContact CG-CE1 4.07Å; K787-F819 HydrophobicContact CG-CZ 3.73Å; I794-F819 HydrophobicContact CD1-CE1 4.36Å; M814-F819 HydrophobicContact CB-CB 4.05Å; M814-F819 HydrophobicContact CB-CD2 4.29Å; M814-F819 HydrophobicContact CB-CG 4.37Å; M814-F819 HydrophobicContact CE-CB 4.01Å; M814-F819 HydrophobicContact CE-CD1 4.49Å; M814-F819 HydrophobicContact CE-CG 4.36Å; M814-F819 HydrophobicContact CG-CB 4.39Å; M814-F819 HydrophobicContact CG-CD2 4.31Å; M814-F819 HydrophobicContact CG-CG 4.32Å; M814-F819 PolarHBondContact O-N 2.82Å; Q817-F819 HydrophobicContact CB-CD2 3.82Å; Q817-F819 HydrophobicContact CB-CE2 3.76Å; F819-I821 HydrophobicContact CD1-CD1 3.9Å; F819-I821 HydrophobicContact CD1-CG1 4Å; F819-I821 HydrophobicContact CE1-CD1 4.3Å; F819-Y843 VanDerWaalsContact C-OH 3.22Å; F819-Y843 HydrophobicContact CB-CE2 4.18Å; F819-Y843 WeakPolarHBondContact O-CE2 3.29Å; F819-Y843 PolarHBondContact O-OH 3.37Å
820	T	93.7	Very high	91.4	Very high	104 Å²	104	41.7 Å²	41.7	64%	0.638	24%	0.24	S	C	*	.			trans	-130.2	-2.2	175.8	57.3	0	0	0	0	113.1	Y843	T820-Y843 VanDerWaalsContact C-OH 3.29Å; T820-Y843 WeakPolarHBondContact CA-OH 3.43Å; T820-Y843 PolarHBondContact N-OH 3.12Å
821	I	96.5	Very high	90.9	Very high	32 Å²	32	43.8 Å²	43.8	16%	0.164	25%	0.254	C	S	.	.	S	Bend	trans	-76.6	153.6	179.8	62.6	177.9	0	0	0	111.5	A791 D792 I794 M814 F819 Y843	A791-I821 WeakPolarHBondContact O-CD1 3.45Å; D792-I821 WeakPolarHBondContact O-CB 3.2Å; I794-I821 HydrophobicContact CD1-CD1 3.99Å; I794-I821 HydrophobicContact CG1-CD1 3.84Å; M814-I821 HydrophobicContact CE-CG1 4.17Å; F819-I821 HydrophobicContact CD1-CD1 3.9Å; F819-I821 HydrophobicContact CD1-CG1 4Å; F819-I821 HydrophobicContact CE1-CD1 4.3Å; I821-Y843 PolarHBondContact N-OH 2.78Å; I821-Y843 WeakPolarHBondContact O-CE1 3.46Å; I821-Y843 PolarHBondContact O-OH 3.38Å
822	P	97.7	Very high	90.5	Very high	3 Å²	3	47.4 Å²	47.4	2%	0.019	27%	0.27	C	S	.	.			trans	-64.6	145.1	179.3	-21.7	34.7	0	0	0	114.1	D792 L793 I794 L824 P846 L863	D792-P822 VanDerWaalsContact O-CD 3.23Å; D792-P822 WeakPolarHBondContact O-CD 3.44Å; L793-P822 HydrophobicContact CD2-CB 4.13Å; L793-P822 HydrophobicContact CD2-CG 4.26Å; L793-P822 HydrophobicContact CG-CG 4.48Å; I794-P822 PolarHBondContact N-O 3.22Å; P822-L824 HydrophobicContact CB-CD1 4.19Å; P822-P846 CarbonylContact C-O 3.57Å; P822-P846 VanDerWaalsContact CA-O 3.28Å; P822-P846 WeakPolarHBondContact CA-O 3.43Å; P822-P846 HydrophobicContact CB-CB 4.09Å; P822-P846 HydrophobicContact CG-CB 4.33Å; P822-P846 HydrophobicContact CG-CG 4.37Å; P822-L863 HydrophobicContact CB-CD1 3.87Å; P822-L863 HydrophobicContact CB-CD2 4.23Å; P822-L863 HydrophobicContact CB-CG 4.47Å; P822-L863 HydrophobicContact CG-CB 4.17Å; P822-L863 HydrophobicContact CG-CD1 4.35Å; P822-L863 HydrophobicContact CG-CD2 4.19Å; P822-L863 HydrophobicContact CG-CG 4.48Å
823	L	98	Very high	90.1	Very high	0 Å²	0	44 Å²	44	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	120.1	173.3	176.4	61	0	0	0	110.1	I794 L796 A811 M814 I825 I839 Y843 P846 T847 V848	I794-L823 HydrophobicContact CB-CD1 4.33Å; I794-L823 HydrophobicContact CG2-CD1 4.06Å; I794-L823 CarbonylContact O-C 3.53Å; I794-L823 WeakPolarHBondContact O-CA 3.43Å; L796-L823 HydrophobicContact CD1-CD1 3.84Å; L796-L823 HydrophobicContact CG-CD1 3.9Å; A811-L823 HydrophobicContact CB-CD2 3.93Å; M814-L823 HydrophobicContact CE-CB 4.28Å; M814-L823 HydrophobicContact SD-CB 4.22Å; M814-L823 HydrophobicContact SD-CD1 3.96Å; M814-L823 HydrophobicContact SD-CD2 4.05Å; M814-L823 HydrophobicContact SD-CG 4.3Å; L823-I825 HydrophobicContact CD1-CD1 4.21Å; L823-I825 HydrophobicContact CD2-CD1 4.15Å; L823-I825 HydrophobicContact CG-CD1 3.97Å; L823-I839 HydrophobicContact CD2-CG2 4.38Å; L823-Y843 HydrophobicContact CB-CD1 4.17Å; L823-Y843 HydrophobicContact CB-CE1 4.19Å; L823-P846 PolarHBondContact N-O 2.81Å; L823-T847 HydrophobicContact CD2-CG2 4.27Å; L823-T847 HydrophobicContact CG-CG2 4.43Å; L823-T847 CarbonylContact O-C 3.6Å; L823-T847 VanDerWaalsContact O-CA 3.3Å; L823-T847 WeakPolarHBondContact O-CA 3.36Å; L823-V848 PolarHBondContact O-N 3.12Å
824	L	97.8	Very high	89.8	Confident	6 Å²	6	44 Å²	44	3%	0.031	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	132.5	177.7	-74.8	72.8	0	0	0	110	M742 L793 I794 G795 L796 P822 V848 V850 T856 V859 V860 L863	M742-L824 HydrophobicContact CE-CB 4.11Å; M742-L824 HydrophobicContact CE-CD1 4.47Å; M742-L824 HydrophobicContact CE-CD2 3.89Å; M742-L824 HydrophobicContact CE-CG 4.38Å; L793-L824 HydrophobicContact CB-CD1 4.23Å; L793-L824 HydrophobicContact CD2-CD1 3.71Å; I794-L824 PolarHBondContact O-N 3.1Å; G795-L824 WeakPolarHBondContact CA-O 3.47Å; L796-L824 PolarHBondContact N-O 2.9Å; P822-L824 HydrophobicContact CB-CD1 4.19Å; L824-V848 CarbonylContact C-O 3.59Å; L824-V848 WeakPolarHBondContact CA-O 3.46Å; L824-V850 HydrophobicContact CB-CG2 4.47Å; L824-V850 HydrophobicContact CD2-CG2 4.08Å; L824-V850 HydrophobicContact CG-CG2 4.32Å; L824-T856 HydrophobicContact CD2-CG2 4.41Å; L824-V859 HydrophobicContact CD2-CG1 4.25Å; L824-V860 HydrophobicContact CD2-CG2 3.75Å; L824-L863 HydrophobicContact CD1-CD1 3.93Å
825	I	96.3	Very high	89.5	Confident	1 Å²	1	44 Å²	44	1%	0.005	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	127.2	-179.2	-57	-59.3	0	0	0	109.6	L796 M807 L823 T830 T835 I839 T847 V848 Y849 V850	L796-I825 HydrophobicContact CB-CD1 4.24Å; L796-I825 HydrophobicContact CD1-CD1 4.07Å; L796-I825 HydrophobicContact CG-CD1 4.47Å; M807-I825 HydrophobicContact CB-CD1 4.24Å; M807-I825 HydrophobicContact CG-CD1 4.37Å; M807-I825 HydrophobicContact SD-CD1 4.35Å; M807-I825 HydrophobicContact SD-CG2 3.71Å; L823-I825 HydrophobicContact CD1-CD1 4.21Å; L823-I825 HydrophobicContact CD2-CD1 4.15Å; L823-I825 HydrophobicContact CG-CD1 3.97Å; I825-T830 HydrophobicContact CG2-CG2 3.79Å; I825-T835 HydrophobicContact CB-CG2 4.36Å; I825-T835 HydrophobicContact CG1-CG2 4.14Å; I825-I839 HydrophobicContact CD1-CD1 4.2Å; I825-I839 HydrophobicContact CD1-CG2 4.16Å; I825-I839 HydrophobicContact CG1-CD1 4.08Å; I825-I839 HydrophobicContact CG1-CG2 4.23Å; I825-I839 HydrophobicContact CG2-CD1 3.91Å; I825-T847 HydrophobicContact CG1-CG2 4.29Å; I825-V848 PolarHBondContact N-O 2.66Å; I825-Y849 CarbonylContact O-C 3.54Å; I825-Y849 WeakPolarHBondContact O-CA 3.35Å; I825-V850 PolarHBondContact O-N 2.83Å
826	G	92	Very high	89.2	Confident	16 Å²	16	40 Å²	40	17%	0.165	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	174.4	175.3	0	0	0	0	0	113.9	L796 S797 G798 T830	L796-G826 PolarHBondContact O-N 3.04Å; S797-G826 WeakPolarHBondContact CA-O 3.39Å; G798-G826 PolarHBondContact N-O 2.94Å; G826-T830 WeakPolarHBondContact CA-OG1 3.46Å; G826-T830 VanDerWaalsContact O-CG2 3.29Å; G826-T830 WeakPolarHBondContact O-CG2 3.17Å
827	G	84.2	Confident	88.8	Confident	29 Å²	29	33.2 Å²	33.2	30%	0.299	22%	0.222	S	C	.	.	S	Bend	trans	114.1	162.4	-177.6	0	0	0	0	0	113.2	G798 T829 T830	G798-G827 CarbonylContact O-C 3.57Å; G798-G827 VanDerWaalsContact O-C 3.28Å; G798-G827 WeakPolarHBondContact O-CA 3.45Å; G827-T829 PolarHBondContact O-N 3.17Å; G827-T830 PolarHBondContact N-OG1 3.04Å; G827-T830 WeakPolarHBondContact O-CB 3.45Å; G827-T830 PolarHBondContact O-N 3.05Å; G827-T830 PolarHBondContact O-OG1 3.16Å
828	A	75.6	Confident	88.5	Confident	87 Å²	87	35.1 Å²	35.1	72%	0.719	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-31.5	-162.4	0	0	0	0	0	115	G798 L799 T830	G798-A828 PolarHBondContact O-N 3.23Å; L799-A828 HydrophobicContact CD1-CB 4.49Å; L799-A828 HydrophobicContact CG-CB 4.21Å; A828-T830 VanDerWaalsContact C-N 3.33Å
829	T	70.3	Confident	88.5	Confident	45 Å²	45	32.4 Å²	32.4	28%	0.276	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-11.2	175.8	43.2	0	0	0	0	113.5	G798 L799 I800 G827	G798-T829 PolarHBondContact O-OG1 3.34Å; L799-T829 VanDerWaalsContact C-OG1 3.3Å; L799-T829 WeakPolarHBondContact O-CG2 3.35Å; L799-T829 PolarHBondContact O-OG1 3Å; I800-T829 PolarHBondContact O-OG1 3.44Å; G827-T829 PolarHBondContact O-N 3.17Å
830	T	83.5	Confident	88.4	Confident	8 Å²	8	32.5 Å²	32.5	5%	0.049	20%	0.202	C	C	.	.			trans	-79.7	151	179.5	72	0	0	0	0	111.1	L804 M807 I825 G826 G827 A828 Y849	L804-T830 HydrophobicContact CD2-CG2 3.78Å; M807-T830 HydrophobicContact CE-CG2 3.76Å; M807-T830 HydrophobicContact SD-CG2 3.8Å; I825-T830 HydrophobicContact CG2-CG2 3.79Å; G826-T830 WeakPolarHBondContact CA-OG1 3.46Å; G826-T830 VanDerWaalsContact O-CG2 3.29Å; G826-T830 WeakPolarHBondContact O-CG2 3.17Å; G827-T830 PolarHBondContact N-OG1 3.04Å; G827-T830 WeakPolarHBondContact O-CB 3.45Å; G827-T830 PolarHBondContact O-N 3.05Å; G827-T830 PolarHBondContact O-OG1 3.16Å; A828-T830 VanDerWaalsContact C-N 3.33Å; T830-Y849 VanDerWaalsContact OG1-CE2 3.29Å; T830-Y849 WeakPolarHBondContact OG1-CE2 3.45Å
831	S	82.9	Confident	88.3	Confident	45 Å²	45	32.5 Å²	32.5	32%	0.315	20%	0.195	S	C	.	.			trans	-152.8	155.8	177.2	66.8	0	0	0	0	110.8	A833 H834 T835	S831-A833 PolarHBondContact O-N 2.53Å; S831-H834 PolarHBondContact O-N 3.39Å; S831-H834 VanDerWaalsContact O-N 3.13Å; S831-H834 WeakPolarHBondContact OG-CB 3.45Å; S831-H834 PolarHBondContact OG-N 2.72Å; S831-H834 VanDerWaalsContact OG-N 3.16Å; S831-T835 PolarHBondContact O-N 3.36Å; S831-T835 PolarHBondContact O-OG1 3.09Å; S831-T835 VanDerWaalsContact O-OG1 3.12Å
832	K	87	Confident	88.2	Confident	76 Å²	76	33.3 Å²	33.3	33%	0.33	20%	0.2	S	C	.	.	H	α-helix	trans	-51.7	-41.8	174.3	-168.1	177.9	-174.2	170.1	0	112.1	A836 Y849 E879 Y880	K832-A836 WeakPolarHBondContact O-CB 3.36Å; K832-A836 PolarHBondContact O-N 2.79Å; K832-Y849 HydrophobicContact CB-CD1 3.68Å; K832-Y849 HydrophobicContact CB-CE1 4.12Å; K832-Y849 HydrophobicContact CB-CG 4.47Å; K832-Y849 HydrophobicContact CG-CD1 4.42Å; K832-Y849 VanDerWaalsContact N-CD1 3.31Å; K832-E879 WeakPolarHBondContact CE-OE2 3.43Å; K832-E879 IonicContact NZ-OE2 3.43Å; K832-E879 PolarHBondContact NZ-OE2 3.36Å; K832-Y880 HydrophobicContact CD-CE1 4.4Å; K832-Y880 HydrophobicContact CG-CD1 4.24Å; K832-Y880 HydrophobicContact CG-CE1 3.69Å
833	A	82.4	Confident	88.1	Confident	38 Å²	38	33.4 Å²	33.4	31%	0.314	20%	0.2	S	C	.	.	H	α-helix	trans	-65.4	-48.3	179.4	0	0	0	0	0	112	S831 A836 V837 V883	S831-A833 PolarHBondContact O-N 2.53Å; A833-A836 PolarHBondContact O-N 2.89Å; A833-V837 WeakPolarHBondContact O-CB 3.46Å; A833-V837 VanDerWaalsContact O-CG2 3.23Å; A833-V837 WeakPolarHBondContact O-CG2 3.36Å; A833-V837 PolarHBondContact O-N 2.66Å; A833-V883 HydrophobicContact CB-CG1 4.13Å
834	H	83	Confident	87.8	Confident	40 Å²	40	36.9 Å²	36.9	19%	0.185	22%	0.224	C	C	.	.	H	α-helix	trans	-64.5	-44.9	179.4	-171.3	89.6	0	0	0	111.6	S831 A836 V837 K838	S831-H834 PolarHBondContact O-N 3.39Å; S831-H834 VanDerWaalsContact O-N 3.13Å; S831-H834 WeakPolarHBondContact OG-CB 3.45Å; S831-H834 PolarHBondContact OG-N 2.72Å; S831-H834 VanDerWaalsContact OG-N 3.16Å; H834-A836 PolarHBondContact O-N 3.19Å; H834-V837 PolarHBondContact O-N 2.91Å; H834-K838 PolarHBondContact O-N 2.86Å
835	T	90.9	Very high	87.6	Confident	0 Å²	0	37 Å²	37	0%	0	23%	0.226	C	C	.	.	I	π-helix	trans	-59.4	-45.5	176.8	-56.7	0	0	0	0	111.7	I825 S831 V837 I839 E840 T847 Y880	I825-T835 HydrophobicContact CB-CG2 4.36Å; I825-T835 HydrophobicContact CG1-CG2 4.14Å; S831-T835 PolarHBondContact O-N 3.36Å; S831-T835 PolarHBondContact O-OG1 3.09Å; S831-T835 VanDerWaalsContact O-OG1 3.12Å; T835-V837 PolarHBondContact O-N 3.11Å; T835-I839 HydrophobicContact CG2-CB 4.37Å; T835-I839 PolarHBondContact O-N 3.45Å; T835-I839 VanDerWaalsContact O-N 3.16Å; T835-E840 PolarHBondContact O-N 2.79Å; T835-T847 HydrophobicContact CG2-CG2 3.97Å; T835-Y880 HydrophobicContact CG2-CE2 4.12Å
836	A	89.5	Confident	87.6	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	23%	0.23	C	C	.	.	I	π-helix	trans	-65.1	-38.4	179.5	0	0	0	0	0	113.3	K832 A833 H834 Y880 V883 R884	K832-A836 WeakPolarHBondContact O-CB 3.36Å; K832-A836 PolarHBondContact O-N 2.79Å; A833-A836 PolarHBondContact O-N 2.89Å; H834-A836 PolarHBondContact O-N 3.19Å; A836-Y880 HydrophobicContact CB-CD1 3.9Å; A836-Y880 HydrophobicContact CB-CD2 4.02Å; A836-Y880 HydrophobicContact CB-CG 3.59Å; A836-V883 HydrophobicContact CB-CB 4.36Å; A836-V883 HydrophobicContact CB-CG1 4.09Å; A836-R884 HydrophobicContact CB-CG 4.46Å; A836-R884 VanDerWaalsContact O-CD 3.25Å; A836-R884 WeakPolarHBondContact O-CD 3.43Å
837	V	84.9	Confident	87.8	Confident	37 Å²	37	37 Å²	37	22%	0.224	22%	0.224	C	C	.	.	I	π-helix	trans	-86.4	-42.7	-174	176.2	0	0	0	0	112.1	A833 H834 T835 R884 H887	A833-V837 WeakPolarHBondContact O-CB 3.46Å; A833-V837 VanDerWaalsContact O-CG2 3.23Å; A833-V837 WeakPolarHBondContact O-CG2 3.36Å; A833-V837 PolarHBondContact O-N 2.66Å; H834-V837 PolarHBondContact O-N 2.91Å; T835-V837 PolarHBondContact O-N 3.11Å; V837-R884 HydrophobicContact CG2-CG 3.95Å; V837-H887 HydrophobicContact CG2-CB 4.3Å
838	K	84.7	Confident	88.4	Confident	96 Å²	96	36 Å²	36	42%	0.417	21%	0.212	S	C	.	.	I	π-helix	trans	-110.7	-28.7	-167.8	-62.2	-65.6	-174.5	179.1	0	114.1	V808 H834 N842	V808-K838 HydrophobicContact CG2-CB 4.25Å; V808-K838 WeakPolarHBondContact CG2-O 3.47Å; H834-K838 PolarHBondContact O-N 2.86Å; K838-N842 PolarHBondContact O-ND2 3.14Å
839	I	91.3	Very high	89.3	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.187	C	C	.	.	I	π-helix	trans	-99.2	-57.6	-174.3	-54.1	174.9	0	0	0	111.7	M807 V808 A811 L823 I825 T835 Q841 N842 T847	M807-I839 HydrophobicContact CB-CD1 3.94Å; M807-I839 HydrophobicContact SD-CD1 4.36Å; V808-I839 HydrophobicContact CG2-CG1 3.78Å; A811-I839 HydrophobicContact CB-CG2 3.97Å; L823-I839 HydrophobicContact CD2-CG2 4.38Å; I825-I839 HydrophobicContact CD1-CD1 4.2Å; I825-I839 HydrophobicContact CD1-CG2 4.16Å; I825-I839 HydrophobicContact CG1-CD1 4.08Å; I825-I839 HydrophobicContact CG1-CG2 4.23Å; I825-I839 HydrophobicContact CG2-CD1 3.91Å; T835-I839 HydrophobicContact CG2-CB 4.37Å; T835-I839 PolarHBondContact O-N 3.45Å; T835-I839 VanDerWaalsContact O-N 3.16Å; I839-Q841 PolarHBondContact O-N 3.4Å; I839-Q841 VanDerWaalsContact O-N 3.12Å; I839-N842 WeakPolarHBondContact O-CB 3.4Å; I839-N842 PolarHBondContact O-N 2.93Å; I839-T847 HydrophobicContact CG2-CG2 4.09Å
840	E	94.7	Very high	90.3	Very high	20 Å²	20	32.8 Å²	32.8	9%	0.093	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-59.9	-29.2	-173.2	-176.3	-95.2	-172.7	0	0	113	T835 N842 Y843 T847 Y880 R884	T835-E840 PolarHBondContact O-N 2.79Å; E840-N842 PolarHBondContact O-N 2.98Å; E840-N842 VanDerWaalsContact O-N 3.15Å; E840-Y843 PolarHBondContact O-N 3.12Å; E840-T847 HydrophobicContact CB-CG2 4.17Å; E840-Y880 HydrophobicContact CB-CD2 4.09Å; E840-Y880 HydrophobicContact CB-CE2 4.38Å; E840-Y880 HydrophobicContact CG-CD2 3.98Å; E840-Y880 HydrophobicContact CG-CE2 4.43Å; E840-R884 IonicContact OE2-NH2 2.8Å
841	Q	92	Very high	90.2	Very high	104 Å²	104	39.3 Å²	39.3	49%	0.486	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-65.6	-15	175.9	-66.3	-62.8	-86.8	0	0	114.5	I839	I839-Q841 PolarHBondContact O-N 3.4Å; I839-Q841 VanDerWaalsContact O-N 3.12Å
842	N	92.9	Very high	90	Very high	49 Å²	49	40 Å²	40	26%	0.262	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-101.3	0	-177.8	-69.3	-79.2	0	0	0	113.6	A811 K812 K838 I839 E840	A811-N842 CarbonylContact C-O 3.48Å; A811-N842 HydrophobicContact CB-CB 4.16Å; K812-N842 WeakPolarHBondContact CE-OD1 3.44Å; K812-N842 HydrophobicContact CG-CB 3.66Å; K812-N842 WeakPolarHBondContact CG-OD1 3.25Å; K838-N842 PolarHBondContact O-ND2 3.14Å; I839-N842 WeakPolarHBondContact O-CB 3.4Å; I839-N842 PolarHBondContact O-N 2.93Å; E840-N842 PolarHBondContact O-N 2.98Å; E840-N842 VanDerWaalsContact O-N 3.15Å
843	Y	96.6	Very high	89.4	Confident	5 Å²	5	36.9 Å²	36.9	2%	0.02	20%	0.196	C	C	.	.			trans	-144.2	123.5	179.1	-179.8	-130.4	0	0	0	111.2	M814 E815 F819 T820 I821 L823 E840 G845	M814-Y843 HydrophobicContact CB-CD2 3.82Å; M814-Y843 HydrophobicContact CB-CE2 3.78Å; M814-Y843 HydrophobicContact CB-CG 4.39Å; M814-Y843 HydrophobicContact CE-CD1 4.43Å; M814-Y843 HydrophobicContact CE-CE1 3.69Å; M814-Y843 HydrophobicContact CE-CE2 4.27Å; E815-Y843 HydrophobicContact CB-CD2 4.2Å; E815-Y843 WeakPolarHBondContact OE2-CD2 3.46Å; F819-Y843 VanDerWaalsContact C-OH 3.22Å; F819-Y843 HydrophobicContact CB-CE2 4.18Å; F819-Y843 WeakPolarHBondContact O-CE2 3.29Å; F819-Y843 PolarHBondContact O-OH 3.37Å; T820-Y843 VanDerWaalsContact C-OH 3.29Å; T820-Y843 WeakPolarHBondContact CA-OH 3.43Å; T820-Y843 PolarHBondContact N-OH 3.12Å; I821-Y843 PolarHBondContact N-OH 2.78Å; I821-Y843 WeakPolarHBondContact O-CE1 3.46Å; I821-Y843 PolarHBondContact O-OH 3.38Å; L823-Y843 HydrophobicContact CB-CD1 4.17Å; L823-Y843 HydrophobicContact CB-CE1 4.19Å; E840-Y843 PolarHBondContact O-N 3.12Å; Y843-G845 VanDerWaalsContact C-N 3.3Å; Y843-G845 PolarHBondContact O-N 3.28Å
844	S	92.4	Very high	88.9	Confident	73 Å²	73	37.3 Å²	37.3	51%	0.51	20%	0.196	S	C	.	.	S	Bend	trans	-73	-22	-176.9	62.2	0	0	0	0	113.4	E815 R877	E815-S844 PolarHBondContact OE1-OG 3.32Å; E815-S844 VanDerWaalsContact OE2-CB 3.31Å; E815-S844 WeakPolarHBondContact OE2-CB 3.5Å; E815-S844 PolarHBondContact OE2-N 2.82Å; E815-S844 PolarHBondContact OE2-OG 3.49Å; S844-R877 PolarHBondContact O-NH2 3.41Å
845	G	93.1	Very high	88.6	Confident	8 Å²	8	43.7 Å²	43.7	8%	0.082	22%	0.219	C	C	.	.	S	Bend	trans	-70.8	170.1	174.9	0	0	0	0	0	113.5	Y843 T847	Y843-G845 VanDerWaalsContact C-N 3.3Å; Y843-G845 PolarHBondContact O-N 3.28Å; G845-T847 PolarHBondContact O-N 3.34Å
846	P	95.6	Very high	88.4	Confident	13 Å²	13	43.9 Å²	43.9	8%	0.084	22%	0.22	C	C	.	.			trans	-59.2	121.2	177.7	-23.5	35	0	0	0	111.4	P822 L823 L863 V873	P822-P846 CarbonylContact C-O 3.57Å; P822-P846 VanDerWaalsContact CA-O 3.28Å; P822-P846 WeakPolarHBondContact CA-O 3.43Å; P822-P846 HydrophobicContact CB-CB 4.09Å; P822-P846 HydrophobicContact CG-CB 4.33Å; P822-P846 HydrophobicContact CG-CG 4.37Å; L823-P846 PolarHBondContact N-O 2.81Å; P846-L863 HydrophobicContact CB-CD2 4.03Å; P846-V873 HydrophobicContact CB-CG2 3.91Å; P846-V873 HydrophobicContact CG-CG1 4.46Å; P846-V873 HydrophobicContact CG-CG2 3.9Å
847	T	97.1	Very high	88	Confident	5 Å²	5	45 Å²	45	3%	0.031	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	123.8	174.7	-57.2	0	0	0	0	109	L823 I825 T835 I839 E840 G845 Y880	L823-T847 HydrophobicContact CD2-CG2 4.27Å; L823-T847 HydrophobicContact CG-CG2 4.43Å; L823-T847 CarbonylContact O-C 3.6Å; L823-T847 VanDerWaalsContact O-CA 3.3Å; L823-T847 WeakPolarHBondContact O-CA 3.36Å; I825-T847 HydrophobicContact CG1-CG2 4.29Å; T835-T847 HydrophobicContact CG2-CG2 3.97Å; I839-T847 HydrophobicContact CG2-CG2 4.09Å; E840-T847 HydrophobicContact CB-CG2 4.17Å; G845-T847 PolarHBondContact O-N 3.34Å; T847-Y880 WeakPolarHBondContact O-CE2 3.48Å
848	V	96.5	Very high	87.9	Confident	8 Å²	8	45.7 Å²	45.7	5%	0.048	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	122.7	-171	-170.7	0	0	0	0	111.1	L823 L824 I825 V859 L863 F872 T876	L823-V848 PolarHBondContact O-N 3.12Å; L824-V848 CarbonylContact C-O 3.59Å; L824-V848 WeakPolarHBondContact CA-O 3.46Å; I825-V848 PolarHBondContact N-O 2.66Å; V848-V859 HydrophobicContact CB-CG1 4.38Å; V848-V859 HydrophobicContact CG1-CG1 3.87Å; V848-L863 HydrophobicContact CG2-CD1 4.18Å; V848-L863 HydrophobicContact CG2-CD2 4.33Å; V848-F872 HydrophobicContact CG1-CE1 4.37Å; V848-F872 HydrophobicContact CG1-CZ 4.36Å; V848-F872 HydrophobicContact CG2-CE1 4.12Å; V848-T876 HydrophobicContact CG2-CG2 4.43Å
849	Y	95.1	Very high	88.1	Confident	51 Å²	51	42 Å²	42	20%	0.2	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	129.5	166.7	168.7	-114.1	0	0	0	110.7	I825 T830 K832 Q851 Y880	I825-Y849 CarbonylContact O-C 3.54Å; I825-Y849 WeakPolarHBondContact O-CA 3.35Å; T830-Y849 VanDerWaalsContact OG1-CE2 3.29Å; T830-Y849 WeakPolarHBondContact OG1-CE2 3.45Å; K832-Y849 HydrophobicContact CB-CD1 3.68Å; K832-Y849 HydrophobicContact CB-CE1 4.12Å; K832-Y849 HydrophobicContact CB-CG 4.47Å; K832-Y849 HydrophobicContact CG-CD1 4.42Å; K832-Y849 VanDerWaalsContact N-CD1 3.31Å; Y849-Q851 HydrophobicContact CE1-CB 4.03Å; Y849-Y880 WeakPolarHBondContact CB-OH 3.43Å; Y849-Y880 PolarHBondContact N-OH 2.87Å
850	V	90.5	Very high	88.2	Confident	13 Å²	13	42 Å²	42	8%	0.079	23%	0.227	C	C	.	.			trans	-120.2	118	176.2	-171.1	0	0	0	0	108.8	L824 I825 N852 R855 V859	L824-V850 HydrophobicContact CB-CG2 4.47Å; L824-V850 HydrophobicContact CD2-CG2 4.08Å; L824-V850 HydrophobicContact CG-CG2 4.32Å; I825-V850 PolarHBondContact O-N 2.83Å; V850-N852 WeakPolarHBondContact CG1-O 3.41Å; V850-R855 HydrophobicContact CG1-CB 4.18Å; V850-V859 HydrophobicContact CG2-CB 4.47Å; V850-V859 HydrophobicContact CG2-CG1 4.11Å; V850-V859 HydrophobicContact CG2-CG2 4.4Å
851	Q	81.4	Confident	87.8	Confident	145 Å²	145	42.9 Å²	42.9	68%	0.678	24%	0.238	S	C	*	.			trans	-71.6	-37.1	-170.8	-177.6	176.1	9.5	0	0	113.6	Y849	Y849-Q851 HydrophobicContact CE1-CB 4.03Å
852	N	77.7	Confident	87.7	Confident	60 Å²	60	38.2 Å²	38.2	32%	0.321	22%	0.217	S	C	.	.	S	Bend	trans	-153.2	170.1	-177.6	62.2	31.2	0	0	0	110.4	V850 S854 R855 T856	V850-N852 WeakPolarHBondContact CG1-O 3.41Å; N852-S854 VanDerWaalsContact C-N 3.33Å; N852-S854 PolarHBondContact O-N 3.02Å; N852-S854 PolarHBondContact OD1-N 3.41Å; N852-S854 PolarHBondContact OD1-OG 2.9Å; N852-R855 PolarHBondContact O-N 3.5Å; N852-R855 VanDerWaalsContact OD1-CG 3.28Å; N852-R855 WeakPolarHBondContact OD1-CG 3.49Å; N852-R855 PolarHBondContact OD1-N 3.23Å; N852-T856 PolarHBondContact O-OG1 3.45Å
853	A	75.5	Confident	87.7	Confident	9 Å²	9	35.9 Å²	35.9	7%	0.074	20%	0.204	C	C	.	.	H	α-helix	trans	-65.8	-31.5	-174.8	0	0	0	0	0	114.3	I758 V759 V762 R855 T856	I758-A853 HydrophobicContact CB-CB 4.49Å; I758-A853 HydrophobicContact CG2-CB 3.41Å; I758-A853 VanDerWaalsContact CG2-CB 3.41Å; V759-A853 HydrophobicContact CG2-CB 3.75Å; V762-A853 HydrophobicContact CG2-CB 4.37Å; A853-R855 VanDerWaalsContact C-N 3.31Å; A853-R855 PolarHBondContact O-N 3.26Å; A853-T856 VanDerWaalsContact O-CB 3.31Å; A853-T856 WeakPolarHBondContact O-CB 3.42Å; A853-T856 PolarHBondContact O-N 2.9Å; A853-T856 PolarHBondContact O-OG1 3.47Å; A853-T856 VanDerWaalsContact O-OG1 3.09Å
854	S	70.8	Confident	87.5	Confident	47 Å²	47	38 Å²	38	33%	0.329	22%	0.215	S	C	.	.	H	α-helix	trans	-67.2	-31.5	-178.4	62	0	0	0	0	113.1	F701 N852 T856	F701-S854 VanDerWaalsContact CZ-CB 3.46Å; N852-S854 VanDerWaalsContact C-N 3.33Å; N852-S854 PolarHBondContact O-N 3.02Å; N852-S854 PolarHBondContact OD1-N 3.41Å; N852-S854 PolarHBondContact OD1-OG 2.9Å; S854-T856 VanDerWaalsContact C-N 3.32Å
855	R	78	Confident	87.3	Confident	174 Å²	174	36 Å²	36	66%	0.657	20%	0.201	S	C	*	.	H	α-helix	trans	-76.2	-18.5	176	-62.9	-66.5	-174.5	-173.8	-1.1	113.4	V850 N852 A853 V857 G858 V859	V850-R855 HydrophobicContact CG1-CB 4.18Å; N852-R855 PolarHBondContact O-N 3.5Å; N852-R855 VanDerWaalsContact OD1-CG 3.28Å; N852-R855 WeakPolarHBondContact OD1-CG 3.49Å; N852-R855 PolarHBondContact OD1-N 3.23Å; A853-R855 VanDerWaalsContact C-N 3.31Å; A853-R855 PolarHBondContact O-N 3.26Å; R855-V857 VanDerWaalsContact C-N 3.33Å; R855-V857 PolarHBondContact O-N 3.12Å; R855-G858 PolarHBondContact O-N 3.24Å; R855-V859 WeakPolarHBondContact O-CG2 3.42Å; R855-V859 PolarHBondContact O-N 3.49Å
856	T	86	Confident	86.8	Confident	4 Å²	4	43.2 Å²	43.2	3%	0.025	24%	0.238	C	C	.	.	H	α-helix	trans	-59.6	-41.8	-174.5	-49.7	0	0	0	0	112	V759 L763 L824 N852 A853 S854 G858 V859 V860	V759-T856 HydrophobicContact CG1-CG2 3.81Å; L763-T856 HydrophobicContact CD1-CG2 3.85Å; L763-T856 HydrophobicContact CD2-CG2 3.84Å; L763-T856 HydrophobicContact CG-CG2 3.96Å; L824-T856 HydrophobicContact CD2-CG2 4.41Å; N852-T856 PolarHBondContact O-OG1 3.45Å; A853-T856 VanDerWaalsContact O-CB 3.31Å; A853-T856 WeakPolarHBondContact O-CB 3.42Å; A853-T856 PolarHBondContact O-N 2.9Å; A853-T856 PolarHBondContact O-OG1 3.47Å; A853-T856 VanDerWaalsContact O-OG1 3.09Å; S854-T856 VanDerWaalsContact C-N 3.32Å; T856-G858 PolarHBondContact O-N 3.46Å; T856-V859 PolarHBondContact O-N 2.86Å; T856-V860 HydrophobicContact CG2-CG2 4.02Å; T856-V860 WeakPolarHBondContact O-CB 3.44Å; T856-V860 VanDerWaalsContact O-CG2 3.31Å; T856-V860 WeakPolarHBondContact O-CG2 3.46Å; T856-V860 PolarHBondContact O-N 2.88Å
857	V	82.3	Confident	86.1	Confident	25 Å²	25	48.1 Å²	48.1	15%	0.152	27%	0.268	C	S	.	.	H	α-helix	trans	-58.4	-53.8	-177.9	-178.9	0	0	0	0	111.3	V762 L763 N766 R855 V859 V860 A861	V762-V857 HydrophobicContact CG1-CG2 3.43Å; V762-V857 VanDerWaalsContact CG1-CG2 3.43Å; L763-V857 HydrophobicContact CD2-CG2 4.47Å; N766-V857 HydrophobicContact CB-CG1 4.12Å; N766-V857 VanDerWaalsContact CG-CG1 3.41Å; N766-V857 VanDerWaalsContact ND2-CG2 3.32Å; N766-V857 WeakPolarHBondContact ND2-CG2 3.4Å; N766-V857 VanDerWaalsContact OD1-CG1 3.28Å; N766-V857 WeakPolarHBondContact OD1-CG1 3.07Å; R855-V857 VanDerWaalsContact C-N 3.33Å; R855-V857 PolarHBondContact O-N 3.12Å; V857-V859 VanDerWaalsContact C-N 3.28Å; V857-V859 PolarHBondContact O-N 3.03Å; V857-V860 PolarHBondContact O-N 2.9Å; V857-A861 VanDerWaalsContact O-CB 3.31Å; V857-A861 WeakPolarHBondContact O-CB 3.46Å; V857-A861 PolarHBondContact O-N 3.25Å
858	G	81.8	Confident	85.5	Confident	50 Å²	50	52.9 Å²	52.9	52%	0.515	29%	0.29	S	S	.	.	H	α-helix	trans	-62.9	-34.2	-179.7	0	0	0	0	0	113	R855 T856 A862	R855-G858 PolarHBondContact O-N 3.24Å; T856-G858 PolarHBondContact O-N 3.46Å; G858-A862 VanDerWaalsContact O-CB 3.3Å; G858-A862 WeakPolarHBondContact O-CB 3.48Å; G858-A862 PolarHBondContact O-N 3.13Å; G858-A862 VanDerWaalsContact O-N 3.11Å
859	V	89.3	Confident	85.2	Confident	20 Å²	20	57 Å²	57	12%	0.121	31%	0.305	C	S	.	.	H	α-helix	trans	-68.3	-48.1	175.5	172.2	0	0	0	0	111.2	L824 V848 V850 R855 T856 V857 A862 L863 F872	L824-V859 HydrophobicContact CD2-CG1 4.25Å; V848-V859 HydrophobicContact CB-CG1 4.38Å; V848-V859 HydrophobicContact CG1-CG1 3.87Å; V850-V859 HydrophobicContact CG2-CB 4.47Å; V850-V859 HydrophobicContact CG2-CG1 4.11Å; V850-V859 HydrophobicContact CG2-CG2 4.4Å; R855-V859 WeakPolarHBondContact O-CG2 3.42Å; R855-V859 PolarHBondContact O-N 3.49Å; T856-V859 PolarHBondContact O-N 2.86Å; V857-V859 VanDerWaalsContact C-N 3.28Å; V857-V859 PolarHBondContact O-N 3.03Å; V859-A862 PolarHBondContact O-N 3.48Å; V859-L863 HydrophobicContact CG1-CD1 3.74Å; V859-L863 HydrophobicContact CG1-CG 4.45Å; V859-L863 WeakPolarHBondContact O-CB 3.42Å; V859-L863 VanDerWaalsContact O-CG 3.25Å; V859-L863 WeakPolarHBondContact O-CG 3.44Å; V859-L863 PolarHBondContact O-N 3.25Å; V859-F872 HydrophobicContact CB-CZ 4.47Å; V859-F872 HydrophobicContact CG1-CE1 4.38Å; V859-F872 HydrophobicContact CG1-CZ 4.11Å; V859-F872 HydrophobicContact CG2-CZ 4.2Å
860	V	92.9	Very high	85.1	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-64.9	-44.8	-179.9	173.6	0	0	0	0	110.8	M742 L763 Y768 L793 L824 T856 V857 A862 L863 L864	M742-V860 HydrophobicContact SD-CG2 4.42Å; L763-V860 HydrophobicContact CD1-CG2 4.4Å; L763-V860 HydrophobicContact CD2-CB 4.16Å; L763-V860 HydrophobicContact CD2-CG1 4.46Å; L763-V860 HydrophobicContact CD2-CG2 3.9Å; Y768-V860 HydrophobicContact CD1-CG1 4.04Å; Y768-V860 HydrophobicContact CD2-CG1 4.37Å; Y768-V860 HydrophobicContact CE1-CG1 3.6Å; Y768-V860 HydrophobicContact CE2-CB 4.47Å; Y768-V860 HydrophobicContact CE2-CG1 3.93Å; Y768-V860 HydrophobicContact CG-CG1 4.42Å; L793-V860 HydrophobicContact CD1-CG1 3.95Å; L793-V860 HydrophobicContact CD2-CB 4.49Å; L793-V860 HydrophobicContact CD2-CG1 4.11Å; L793-V860 HydrophobicContact CD2-CG2 4.18Å; L824-V860 HydrophobicContact CD2-CG2 3.75Å; T856-V860 HydrophobicContact CG2-CG2 4.02Å; T856-V860 WeakPolarHBondContact O-CB 3.44Å; T856-V860 VanDerWaalsContact O-CG2 3.31Å; T856-V860 WeakPolarHBondContact O-CG2 3.46Å; T856-V860 PolarHBondContact O-N 2.88Å; V857-V860 PolarHBondContact O-N 2.9Å; V860-A862 VanDerWaalsContact C-N 3.35Å; V860-A862 PolarHBondContact O-N 3.49Å; V860-L863 PolarHBondContact O-N 3.38Å; V860-L864 HydrophobicContact CG1-CD1 3.96Å; V860-L864 HydrophobicContact CG1-CG 4.42Å; V860-L864 PolarHBondContact O-N 3.45Å
861	A	87.5	Confident	85.1	Confident	38 Å²	38	65.8 Å²	65.8	31%	0.314	36%	0.355	S	S	.	.	H	α-helix	trans	-59.1	-44.3	176.8	0	0	0	0	0	112.1	Y768 V857 S865	Y768-A861 WeakPolarHBondContact OH-CA 3.3Å; Y768-A861 PolarHBondContact OH-N 2.89Å; V857-A861 VanDerWaalsContact O-CB 3.31Å; V857-A861 WeakPolarHBondContact O-CB 3.46Å; V857-A861 PolarHBondContact O-N 3.25Å; A861-S865 VanDerWaalsContact O-CB 3.22Å; A861-S865 WeakPolarHBondContact O-CB 3.38Å; A861-S865 PolarHBondContact O-N 2.95Å
862	A	87.9	Confident	85.5	Confident	6 Å²	6	60.2 Å²	60.2	5%	0.05	33%	0.328	C	S	.	.	H	α-helix	trans	-65.5	-38.2	176.6	0	0	0	0	0	112.5	G858 V859 V860 R869 F872	G858-A862 VanDerWaalsContact O-CB 3.3Å; G858-A862 WeakPolarHBondContact O-CB 3.48Å; G858-A862 PolarHBondContact O-N 3.13Å; G858-A862 VanDerWaalsContact O-N 3.11Å; V859-A862 PolarHBondContact O-N 3.48Å; V860-A862 VanDerWaalsContact C-N 3.35Å; V860-A862 PolarHBondContact O-N 3.49Å; A862-R869 WeakPolarHBondContact O-CA 3.49Å; A862-R869 PolarHBondContact O-N 2.68Å; A862-F872 HydrophobicContact CB-CB 4.2Å; A862-F872 HydrophobicContact CB-CD1 4.41Å; A862-F872 HydrophobicContact CB-CD2 3.7Å; A862-F872 HydrophobicContact CB-CE2 4.21Å; A862-F872 HydrophobicContact CB-CG 3.84Å
863	L	94.1	Very high	86.3	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-71.9	-30.4	-179.3	-75.9	169.9	0	0	0	113.8	L793 P822 L824 P846 V848 V859 V860 R869 F872 V873	L793-L863 HydrophobicContact CD2-CB 4.25Å; L793-L863 HydrophobicContact CD2-CD1 4.12Å; P822-L863 HydrophobicContact CB-CD1 3.87Å; P822-L863 HydrophobicContact CB-CD2 4.23Å; P822-L863 HydrophobicContact CB-CG 4.47Å; P822-L863 HydrophobicContact CG-CB 4.17Å; P822-L863 HydrophobicContact CG-CD1 4.35Å; P822-L863 HydrophobicContact CG-CD2 4.19Å; P822-L863 HydrophobicContact CG-CG 4.48Å; L824-L863 HydrophobicContact CD1-CD1 3.93Å; P846-L863 HydrophobicContact CB-CD2 4.03Å; V848-L863 HydrophobicContact CG2-CD1 4.18Å; V848-L863 HydrophobicContact CG2-CD2 4.33Å; V859-L863 HydrophobicContact CG1-CD1 3.74Å; V859-L863 HydrophobicContact CG1-CG 4.45Å; V859-L863 WeakPolarHBondContact O-CB 3.42Å; V859-L863 VanDerWaalsContact O-CG 3.25Å; V859-L863 WeakPolarHBondContact O-CG 3.44Å; V859-L863 PolarHBondContact O-N 3.25Å; V860-L863 PolarHBondContact O-N 3.38Å; L863-R869 WeakPolarHBondContact O-CD 3.28Å; L863-F872 HydrophobicContact CD2-CD1 3.9Å; L863-F872 HydrophobicContact CD2-CE1 4Å; L863-F872 HydrophobicContact CG-CD1 4.2Å; L863-F872 HydrophobicContact CG-CE1 4.05Å; L863-V873 HydrophobicContact CD2-CG2 4.03Å
864	L	92.5	Very high	87.2	Confident	48 Å²	48	60.5 Å²	60.5	25%	0.251	34%	0.337	S	S	.	.	H	α-helix	trans	-92.1	-14.3	178.2	-66.5	-178	0	0	0	113.9	N739 Y768 D792 L793 V860	N739-L864 WeakPolarHBondContact O-CD1 3.45Å; Y768-L864 HydrophobicContact CD1-CD1 4.22Å; Y768-L864 HydrophobicContact CE1-CD1 3.62Å; D792-L864 HydrophobicContact CB-CD2 3.74Å; L793-L864 HydrophobicContact CD1-CD1 3.72Å; L793-L864 HydrophobicContact CD1-CD2 3.82Å; L793-L864 HydrophobicContact CD1-CG 3.92Å; L793-L864 HydrophobicContact CG-CD2 4.15Å; L793-L864 HydrophobicContact CG-CG 4.5Å; V860-L864 HydrophobicContact CG1-CD1 3.96Å; V860-L864 HydrophobicContact CG1-CG 4.42Å; V860-L864 PolarHBondContact O-N 3.45Å
865	S	87.3	Confident	88.2	Confident	31 Å²	31	65 Å²	65	22%	0.217	35%	0.347	C	S	.	.			trans	-74.8	124.9	178	170.8	0	0	0	0	112.3	A861 T867 Q868 R869	A861-S865 VanDerWaalsContact O-CB 3.22Å; A861-S865 WeakPolarHBondContact O-CB 3.38Å; A861-S865 PolarHBondContact O-N 2.95Å; S865-T867 PolarHBondContact O-N 2.88Å; S865-T867 VanDerWaalsContact O-N 3.14Å; S865-T867 PolarHBondContact OG-N 3.03Å; S865-T867 PolarHBondContact OG-OG1 3.48Å; S865-Q868 PolarHBondContact O-N 3.12Å; S865-Q868 PolarHBondContact OG-N 2.84Å; S865-R869 WeakPolarHBondContact O-CB 3.48Å; S865-R869 PolarHBondContact O-N 3.07Å
866	D	82.5	Confident	88.9	Confident	160 Å²	160	57.3 Å²	57.3	86%	0.856	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-25.2	175.4	-70	-29.9	0	0	0	113.4
867	T	82.7	Confident	89.3	Confident	117 Å²	117	62.7 Å²	62.7	72%	0.718	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-28.4	-176.7	56.6	0	0	0	0	113.7	S865	S865-T867 PolarHBondContact O-N 2.88Å; S865-T867 VanDerWaalsContact O-N 3.14Å; S865-T867 PolarHBondContact OG-N 3.03Å; S865-T867 PolarHBondContact OG-OG1 3.48Å
868	Q	83.5	Confident	89.8	Confident	105 Å²	105	68.5 Å²	68.5	49%	0.491	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-23.1	-175.3	-61.7	-179.1	2.6	0	0	113.4	S865 D870 D871 F872	S865-Q868 PolarHBondContact O-N 3.12Å; S865-Q868 PolarHBondContact OG-N 2.84Å; Q868-D870 PolarHBondContact O-N 3.31Å; Q868-D871 PolarHBondContact O-N 3.14Å; Q868-F872 VanDerWaalsContact O-CB 3.23Å; Q868-F872 WeakPolarHBondContact O-CB 3.46Å; Q868-F872 PolarHBondContact O-N 3.35Å
869	R	91.1	Very high	90.2	Very high	93 Å²	93	69.4 Å²	69.4	35%	0.351	35%	0.354	S	S	.	.	H	α-helix	trans	-55	-52.2	-172.3	174.5	-177.1	176.3	159.9	3.2	112.9	A862 L863 S865 D871 F872 V873	A862-R869 WeakPolarHBondContact O-CA 3.49Å; A862-R869 PolarHBondContact O-N 2.68Å; L863-R869 WeakPolarHBondContact O-CD 3.28Å; S865-R869 WeakPolarHBondContact O-CB 3.48Å; S865-R869 PolarHBondContact O-N 3.07Å; R869-D871 PolarHBondContact O-N 3.02Å; R869-F872 PolarHBondContact O-N 3.28Å; R869-V873 HydrophobicContact CG-CG2 4.35Å; R869-V873 WeakPolarHBondContact O-CB 3.37Å; R869-V873 VanDerWaalsContact O-CG2 3.22Å; R869-V873 WeakPolarHBondContact O-CG2 3.21Å; R869-V873 PolarHBondContact O-N 3.5Å
870	D	91.7	Very high	90.5	Very high	122 Å²	122	68.8 Å²	68.8	65%	0.652	35%	0.349	S	S	*	.	H	α-helix	trans	-64.4	-45.1	-172.9	-74	-15.9	0	0	0	111.9	Q868 V873 A874	Q868-D870 PolarHBondContact O-N 3.31Å; D870-V873 PolarHBondContact O-N 3.22Å; D870-A874 VanDerWaalsContact O-CB 3.28Å; D870-A874 WeakPolarHBondContact O-CB 3.13Å; D870-A874 PolarHBondContact O-N 3.12Å
871	D	90.7	Very high	90.5	Very high	128 Å²	128	73.8 Å²	73.8	68%	0.684	37%	0.373	S	S	*	.	H	α-helix	trans	-65.3	-41.9	177.1	-76.3	-14.1	0	0	0	111.7	Q868 R869 A874 R875	Q868-D871 PolarHBondContact O-N 3.14Å; R869-D871 PolarHBondContact O-N 3.02Å; D871-A874 PolarHBondContact O-N 3.2Å; D871-R875 WeakPolarHBondContact O-CB 3.47Å; D871-R875 PolarHBondContact O-N 3.09Å
872	F	91	Very high	90.5	Very high	27 Å²	27	75 Å²	75	12%	0.118	38%	0.376	C	S	.	.	H	α-helix	trans	-62.4	-46.1	177.3	-178.9	-91.1	0	0	0	111.9	V848 V859 A862 L863 Q868 R869 T876	V848-F872 HydrophobicContact CG1-CE1 4.37Å; V848-F872 HydrophobicContact CG1-CZ 4.36Å; V848-F872 HydrophobicContact CG2-CE1 4.12Å; V859-F872 HydrophobicContact CB-CZ 4.47Å; V859-F872 HydrophobicContact CG1-CE1 4.38Å; V859-F872 HydrophobicContact CG1-CZ 4.11Å; V859-F872 HydrophobicContact CG2-CZ 4.2Å; A862-F872 HydrophobicContact CB-CB 4.2Å; A862-F872 HydrophobicContact CB-CD1 4.41Å; A862-F872 HydrophobicContact CB-CD2 3.7Å; A862-F872 HydrophobicContact CB-CE2 4.21Å; A862-F872 HydrophobicContact CB-CG 3.84Å; L863-F872 HydrophobicContact CD2-CD1 3.9Å; L863-F872 HydrophobicContact CD2-CE1 4Å; L863-F872 HydrophobicContact CG-CD1 4.2Å; L863-F872 HydrophobicContact CG-CE1 4.05Å; Q868-F872 VanDerWaalsContact O-CB 3.23Å; Q868-F872 WeakPolarHBondContact O-CB 3.46Å; Q868-F872 PolarHBondContact O-N 3.35Å; R869-F872 PolarHBondContact O-N 3.28Å; F872-T876 WeakPolarHBondContact O-CB 3.44Å; F872-T876 PolarHBondContact O-N 3.48Å; F872-T876 PolarHBondContact O-OG1 2.84Å
873	V	94.3	Very high	90.3	Very high	16 Å²	16	76 Å²	76	10%	0.097	38%	0.382	C	S	.	.	H	α-helix	trans	-66.6	-43.8	178.9	171.7	0	0	0	0	111	P846 L863 R869 D870 R875 T876 R877	P846-V873 HydrophobicContact CB-CG2 3.91Å; P846-V873 HydrophobicContact CG-CG1 4.46Å; P846-V873 HydrophobicContact CG-CG2 3.9Å; L863-V873 HydrophobicContact CD2-CG2 4.03Å; R869-V873 HydrophobicContact CG-CG2 4.35Å; R869-V873 WeakPolarHBondContact O-CB 3.37Å; R869-V873 VanDerWaalsContact O-CG2 3.22Å; R869-V873 WeakPolarHBondContact O-CG2 3.21Å; R869-V873 PolarHBondContact O-N 3.5Å; D870-V873 PolarHBondContact O-N 3.22Å; V873-R875 VanDerWaalsContact C-N 3.35Å; V873-R875 PolarHBondContact O-N 2.88Å; V873-T876 PolarHBondContact O-N 2.89Å; V873-R877 HydrophobicContact CG1-CG 4.47Å; V873-R877 WeakPolarHBondContact O-CB 3.4Å; V873-R877 WeakPolarHBondContact O-CG 3.45Å; V873-R877 PolarHBondContact O-N 2.74Å
874	A	92.8	Very high	89.8	Confident	59 Å²	59	79.5 Å²	79.5	49%	0.488	40%	0.395	S	S	.	.	H	α-helix	trans	-60.7	-43.7	178.1	0	0	0	0	0	111.9	D870 D871 K878	D870-A874 VanDerWaalsContact O-CB 3.28Å; D870-A874 WeakPolarHBondContact O-CB 3.13Å; D870-A874 PolarHBondContact O-N 3.12Å; D871-A874 PolarHBondContact O-N 3.2Å; A874-K878 PolarHBondContact O-N 3.29Å; A874-K878 VanDerWaalsContact O-N 3.12Å
875	R	92.6	Very high	89.2	Confident	141 Å²	141	80.9 Å²	80.9	53%	0.532	40%	0.402	S	S	.	.	H	α-helix	trans	-61.6	-48.6	174.9	178.2	174.6	53.7	153.8	-1.2	111.7	D871 V873 R877 K878 E879	D871-R875 WeakPolarHBondContact O-CB 3.47Å; D871-R875 PolarHBondContact O-N 3.09Å; V873-R875 VanDerWaalsContact C-N 3.35Å; V873-R875 PolarHBondContact O-N 2.88Å; R875-R877 PolarHBondContact O-N 3.25Å; R875-K878 PolarHBondContact O-N 3.48Å; R875-E879 WeakPolarHBondContact CG-OE1 3.12Å; R875-E879 WeakPolarHBondContact O-CG 3.3Å; R875-E879 PolarHBondContact O-N 3.45Å
876	T	92.8	Very high	88.6	Confident	14 Å²	14	84.9 Å²	84.9	9%	0.086	42%	0.417	C	S	.	.	H	α-helix	trans	-60.8	-44	-179.3	-55.8	0	0	0	0	111.7	V848 F872 V873 K878 E879 Y880	V848-T876 HydrophobicContact CG2-CG2 4.43Å; F872-T876 WeakPolarHBondContact O-CB 3.44Å; F872-T876 PolarHBondContact O-N 3.48Å; F872-T876 PolarHBondContact O-OG1 2.84Å; V873-T876 PolarHBondContact O-N 2.89Å; T876-K878 PolarHBondContact O-N 3.46Å; T876-E879 WeakPolarHBondContact O-CB 3.47Å; T876-E879 PolarHBondContact O-N 3.48Å; T876-Y880 HydrophobicContact CG2-CD1 4.46Å; T876-Y880 HydrophobicContact CG2-CD2 4.44Å; T876-Y880 HydrophobicContact CG2-CE1 4.03Å; T876-Y880 HydrophobicContact CG2-CE2 4.04Å; T876-Y880 PolarHBondContact O-N 3.36Å
877	R	94.1	Very high	88.1	Confident	116 Å²	116	82 Å²	82	44%	0.438	40%	0.398	S	S	.	.	H	α-helix	trans	-60.8	-43.7	176.5	-77.9	179.3	171.2	165.3	-1.3	112.5	S844 V873 R875 E879 Y880 E881	S844-R877 PolarHBondContact O-NH2 3.41Å; V873-R877 HydrophobicContact CG1-CG 4.47Å; V873-R877 WeakPolarHBondContact O-CB 3.4Å; V873-R877 WeakPolarHBondContact O-CG 3.45Å; V873-R877 PolarHBondContact O-N 2.74Å; R875-R877 PolarHBondContact O-N 3.25Å; R877-E879 VanDerWaalsContact C-N 3.33Å; R877-E879 PolarHBondContact O-N 2.82Å; R877-Y880 PolarHBondContact O-N 2.8Å; R877-E881 WeakPolarHBondContact O-CB 3.26Å; R877-E881 PolarHBondContact O-N 3.2Å
878	K	92.7	Very high	87.4	Confident	147 Å²	147	79.8 Å²	79.8	64%	0.639	40%	0.399	S	S	*	.	H	α-helix	trans	-63.9	-39.7	177.2	-174.4	178.2	-179.3	-178.5	0	112	A874 R875 T876 T882	A874-K878 PolarHBondContact O-N 3.29Å; A874-K878 VanDerWaalsContact O-N 3.12Å; R875-K878 PolarHBondContact O-N 3.48Å; T876-K878 PolarHBondContact O-N 3.46Å; K878-T882 PolarHBondContact O-N 2.84Å; K878-T882 PolarHBondContact O-OG1 2.85Å
879	E	91.3	Very high	86.7	Confident	70 Å²	70	84.3 Å²	84.3	33%	0.327	41%	0.411	S	S	.	.	H	α-helix	trans	-62.3	-44.4	173.6	-72.5	177.1	-164.8	0	0	111.2	K832 R875 T876 R877 T882 V883	K832-E879 WeakPolarHBondContact CE-OE2 3.43Å; K832-E879 IonicContact NZ-OE2 3.43Å; K832-E879 PolarHBondContact NZ-OE2 3.36Å; R875-E879 WeakPolarHBondContact CG-OE1 3.12Å; R875-E879 WeakPolarHBondContact O-CG 3.3Å; R875-E879 PolarHBondContact O-N 3.45Å; T876-E879 WeakPolarHBondContact O-CB 3.47Å; T876-E879 PolarHBondContact O-N 3.48Å; R877-E879 VanDerWaalsContact C-N 3.33Å; R877-E879 PolarHBondContact O-N 2.82Å; E879-T882 WeakPolarHBondContact O-CB 3.45Å; E879-T882 PolarHBondContact O-N 3.34Å; E879-V883 VanDerWaalsContact O-CG2 3.29Å; E879-V883 WeakPolarHBondContact O-CG2 3.09Å; E879-V883 PolarHBondContact O-N 3.04Å
880	Y	95.1	Very high	85.1	Confident	6 Å²	6	87.7 Å²	87.7	2%	0.024	43%	0.429	C	S	.	.	H	α-helix	trans	-69	-36.4	179.5	-74.1	6.4	0	0	0	113	K832 T835 A836 E840 T847 Y849 T876 R877 T882 V883 R884	K832-Y880 HydrophobicContact CD-CE1 4.4Å; K832-Y880 HydrophobicContact CG-CD1 4.24Å; K832-Y880 HydrophobicContact CG-CE1 3.69Å; T835-Y880 HydrophobicContact CG2-CE2 4.12Å; A836-Y880 HydrophobicContact CB-CD1 3.9Å; A836-Y880 HydrophobicContact CB-CD2 4.02Å; A836-Y880 HydrophobicContact CB-CG 3.59Å; E840-Y880 HydrophobicContact CB-CD2 4.09Å; E840-Y880 HydrophobicContact CB-CE2 4.38Å; E840-Y880 HydrophobicContact CG-CD2 3.98Å; E840-Y880 HydrophobicContact CG-CE2 4.43Å; T847-Y880 WeakPolarHBondContact O-CE2 3.48Å; Y849-Y880 WeakPolarHBondContact CB-OH 3.43Å; Y849-Y880 PolarHBondContact N-OH 2.87Å; T876-Y880 HydrophobicContact CG2-CD1 4.46Å; T876-Y880 HydrophobicContact CG2-CD2 4.44Å; T876-Y880 HydrophobicContact CG2-CE1 4.03Å; T876-Y880 HydrophobicContact CG2-CE2 4.04Å; T876-Y880 PolarHBondContact O-N 3.36Å; R877-Y880 PolarHBondContact O-N 2.8Å; Y880-T882 VanDerWaalsContact C-N 3.33Å; Y880-V883 PolarHBondContact O-N 3.09Å; Y880-R884 WeakPolarHBondContact O-CB 3.27Å; Y880-R884 WeakPolarHBondContact O-CG 3.41Å; Y880-R884 PolarHBondContact O-N 2.78Å; Y880-R884 PolarHBondContact O-NE 3.32Å
881	E	91.4	Very high	83.3	Confident	106 Å²	106	90.9 Å²	90.9	50%	0.495	44%	0.437	S	S	.	.	H	α-helix	trans	-59.5	-46	169.9	-176.3	179.5	-170.2	0	0	111	R877 V883 R884 I885	R877-E881 WeakPolarHBondContact O-CB 3.26Å; R877-E881 PolarHBondContact O-N 3.2Å; E881-V883 PolarHBondContact O-N 2.97Å; E881-R884 PolarHBondContact O-N 3.03Å; E881-I885 HydrophobicContact CG-CD1 3.99Å; E881-I885 VanDerWaalsContact O-CG1 3.31Å; E881-I885 WeakPolarHBondContact O-CG1 3.18Å; E881-I885 PolarHBondContact O-N 2.98Å
882	T	87.5	Confident	81.7	Confident	64 Å²	64	87.9 Å²	87.9	39%	0.393	42%	0.424	S	S	.	.	H	α-helix	trans	-61	-46.4	177.2	-56.2	0	0	0	0	111.4	K878 E879 Y880 R884 I885 Q886	K878-T882 PolarHBondContact O-N 2.84Å; K878-T882 PolarHBondContact O-OG1 2.85Å; E879-T882 WeakPolarHBondContact O-CB 3.45Å; E879-T882 PolarHBondContact O-N 3.34Å; Y880-T882 VanDerWaalsContact C-N 3.33Å; T882-R884 VanDerWaalsContact C-N 3.33Å; T882-R884 PolarHBondContact O-N 3.14Å; T882-I885 PolarHBondContact O-N 3.1Å; T882-Q886 HydrophobicContact CG2-CG 4.46Å; T882-Q886 WeakPolarHBondContact O-CB 3.45Å; T882-Q886 WeakPolarHBondContact O-CG 3.41Å; T882-Q886 PolarHBondContact O-N 2.83Å
883	V	84.4	Confident	80.1	Confident	26 Å²	26	95.6 Å²	95.6	16%	0.158	45%	0.452	C	S	.	.	H	α-helix	trans	-60.4	-42.1	177.1	170	0	0	0	0	111.1	A833 A836 E879 Y880 E881 Q886 H887	A833-V883 HydrophobicContact CB-CG1 4.13Å; A836-V883 HydrophobicContact CB-CB 4.36Å; A836-V883 HydrophobicContact CB-CG1 4.09Å; E879-V883 VanDerWaalsContact O-CG2 3.29Å; E879-V883 WeakPolarHBondContact O-CG2 3.09Å; E879-V883 PolarHBondContact O-N 3.04Å; Y880-V883 PolarHBondContact O-N 3.09Å; E881-V883 PolarHBondContact O-N 2.97Å; V883-Q886 PolarHBondContact O-N 3.14Å; V883-H887 WeakPolarHBondContact O-CB 3.42Å; V883-H887 PolarHBondContact O-N 2.82Å
884	R	84.1	Confident	78.9	Confident	73 Å²	73	97.4 Å²	97.4	28%	0.275	46%	0.463	S	S	.	.	H	α-helix	trans	-63.1	-45.7	175.2	-79.3	-176.2	-78.5	153.5	-7.9	112.3	A836 V837 E840 Y880 E881 T882 Q886 H887 G888	A836-R884 HydrophobicContact CB-CG 4.46Å; A836-R884 VanDerWaalsContact O-CD 3.25Å; A836-R884 WeakPolarHBondContact O-CD 3.43Å; V837-R884 HydrophobicContact CG2-CG 3.95Å; E840-R884 IonicContact OE2-NH2 2.8Å; Y880-R884 WeakPolarHBondContact O-CB 3.27Å; Y880-R884 WeakPolarHBondContact O-CG 3.41Å; Y880-R884 PolarHBondContact O-N 2.78Å; Y880-R884 PolarHBondContact O-NE 3.32Å; E881-R884 PolarHBondContact O-N 3.03Å; T882-R884 VanDerWaalsContact C-N 3.33Å; T882-R884 PolarHBondContact O-N 3.14Å; R884-Q886 VanDerWaalsContact C-N 3.34Å; R884-Q886 PolarHBondContact O-N 3.24Å; R884-H887 PolarHBondContact O-N 2.89Å; R884-G888 PolarHBondContact O-N 3.49Å
885	I	78.8	Confident	78.4	Confident	77 Å²	77	97.6 Å²	97.6	40%	0.395	46%	0.46	S	S	.	.	H	α-helix	trans	-61.6	-44.5	177.1	-68.5	166.4	0	0	0	110.5	E881 T882 R889	E881-I885 HydrophobicContact CG-CD1 3.99Å; E881-I885 VanDerWaalsContact O-CG1 3.31Å; E881-I885 WeakPolarHBondContact O-CG1 3.18Å; E881-I885 PolarHBondContact O-N 2.98Å; T882-I885 PolarHBondContact O-N 3.1Å; I885-R889 WeakPolarHBondContact O-CB 3.46Å; I885-R889 VanDerWaalsContact O-CG 3.25Å; I885-R889 WeakPolarHBondContact O-CG 3.23Å; I885-R889 PolarHBondContact O-N 2.73Å
886	Q	75.7	Confident	78.3	Confident	116 Å²	116	93.9 Å²	93.9	54%	0.542	45%	0.454	S	S	.	.	H	α-helix	trans	-63.8	-46.2	177	-74.7	176.7	-12.7	0	0	111.4	T882 V883 R884 G888 R889 K890	T882-Q886 HydrophobicContact CG2-CG 4.46Å; T882-Q886 WeakPolarHBondContact O-CB 3.45Å; T882-Q886 WeakPolarHBondContact O-CG 3.41Å; T882-Q886 PolarHBondContact O-N 2.83Å; V883-Q886 PolarHBondContact O-N 3.14Å; R884-Q886 VanDerWaalsContact C-N 3.34Å; R884-Q886 PolarHBondContact O-N 3.24Å; Q886-G888 PolarHBondContact O-N 3.29Å; Q886-R889 PolarHBondContact O-N 2.92Å; Q886-R889 VanDerWaalsContact O-N 3.16Å; Q886-K890 PolarHBondContact O-N 2.94Å; Q886-K890 VanDerWaalsContact O-N 3.09Å
887	H	72.4	Confident	78.3	Confident	99 Å²	99	94.8 Å²	94.8	46%	0.458	46%	0.459	S	S	.	.	H	α-helix	trans	-60.5	-45.5	177.6	-168	81.4	0	0	0	111.3	V837 V883 R884 R889 K890	V837-H887 HydrophobicContact CG2-CB 4.3Å; V883-H887 WeakPolarHBondContact O-CB 3.42Å; V883-H887 PolarHBondContact O-N 2.82Å; R884-H887 PolarHBondContact O-N 2.89Å; H887-R889 VanDerWaalsContact C-N 3.28Å; H887-R889 PolarHBondContact O-N 3.37Å; H887-K890 WeakPolarHBondContact O-CB 3.45Å; H887-K890 PolarHBondContact O-N 3.09Å
888	G	67	Low	78.4	Confident	71 Å²	71	93 Å²	93	73%	0.732	46%	0.461	S	S	*	.	H	α-helix	trans	-68.1	-21.4	175.8	0	0	0	0	0	114.6	R884 Q886	R884-G888 PolarHBondContact O-N 3.49Å; Q886-G888 PolarHBondContact O-N 3.29Å
889	R	69.1	Low	78.6	Confident	199 Å²	199	86.3 Å²	86.3	75%	0.751	43%	0.433	S	S	*	.	H	α-helix	trans	-85.9	-16.4	173.7	-76.1	176.8	-176.4	-177.8	3.8	113.6	I885 Q886 H887 K891	I885-R889 WeakPolarHBondContact O-CB 3.46Å; I885-R889 VanDerWaalsContact O-CG 3.25Å; I885-R889 WeakPolarHBondContact O-CG 3.23Å; I885-R889 PolarHBondContact O-N 2.73Å; Q886-R889 PolarHBondContact O-N 2.92Å; Q886-R889 VanDerWaalsContact O-N 3.16Å; H887-R889 VanDerWaalsContact C-N 3.28Å; H887-R889 PolarHBondContact O-N 3.37Å; R889-K891 PolarHBondContact O-N 3.4Å
890	K	58	Low	78.9	Confident	165 Å²	165	88.3 Å²	88.3	72%	0.717	44%	0.442	S	S	*	.			trans	-64.8	104.1	179.1	-80.2	-173.4	176.9	-171	0	109.3	Q886 H887	Q886-K890 PolarHBondContact O-N 2.94Å; Q886-K890 VanDerWaalsContact O-N 3.09Å; H887-K890 WeakPolarHBondContact O-CB 3.45Å; H887-K890 PolarHBondContact O-N 3.09Å
891	K	54.4	Low	78.9	Confident	189 Å²	189	89.9 Å²	89.9	82%	0.822	46%	0.456	S	S	*	.			trans	-78.1	136.4	155	-70	-175.7	177.5	-177.2	0	107.4	R889 R893	R889-K891 PolarHBondContact O-N 3.4Å; K891-R893 PolarHBondContact O-N 3.34Å
892	P	56.4	Low	79.2	Confident	64 Å²	64	84.9 Å²	84.9	42%	0.416	43%	0.433	S	S	.	.			trans	-49.7	132.2	171.1	-25.4	33.6	0	0	0	109.9	T894	P892-T894 WeakPolarHBondContact CB-O 3.38Å; P892-T894 PolarHBondContact O-N 2.95Å; P892-T894 VanDerWaalsContact O-N 3.11Å
893	R	56.1	Low	79.6	Confident	189 Å²	189	84.9 Å²	84.9	71%	0.713	43%	0.426	S	S	*	.	S	Bend	trans	-53	-30.7	173.9	-90.4	176.5	68.4	111.8	-7.6	111.4	E276 K891	E276-R893 IonicContact OE1-CZ 3.56Å; E276-R893 VanDerWaalsContact OE1-CZ 3.29Å; E276-R893 IonicContact OE1-NE 2.77Å; E276-R893 IonicContact OE1-NH2 3.58Å; E276-R893 PolarHBondContact OE1-NH2 3.04Å; E276-R893 IonicContact OE2-CZ 3.32Å; E276-R893 IonicContact OE2-NE 2.69Å; E276-R893 PolarHBondContact OE2-NE 2.83Å; E276-R893 IonicContact OE2-NH1 2.7Å; E276-R893 PolarHBondContact OE2-NH1 3.17Å; E276-R893 IonicContact OE2-NH2 2.81Å; E276-R893 PolarHBondContact OE2-NH2 2.9Å; E276-R893 VanDerWaalsContact OE2-NH2 3.15Å; K891-R893 PolarHBondContact O-N 3.34Å
894	T	70.8	Confident	80.1	Confident	54 Å²	54	89.7 Å²	89.7	33%	0.331	45%	0.451	S	S	.	.	S	Bend	trans	-123	123	-178.6	-23.7	0	0	0	0	108.1	P892 E1027	P892-T894 WeakPolarHBondContact CB-O 3.38Å; P892-T894 PolarHBondContact O-N 2.95Å; P892-T894 VanDerWaalsContact O-N 3.11Å; T894-E1027 HydrophobicContact CG2-CB 4.17Å; T894-E1027 WeakPolarHBondContact CG2-O 3.12Å
895	P	82	Confident	80.6	Confident	63 Å²	63	89 Å²	89	41%	0.409	45%	0.452	S	S	.	.			trans	-61.3	147	-175.1	25.4	-33	0	0	0	110.6	E1027	P895-E1027 WeakPolarHBondContact CD-OE2 3.42Å; P895-E1027 HydrophobicContact CG-CB 3.94Å; P895-E1027 WeakPolarHBondContact CG-OE2 3.23Å; P895-E1027 PolarHBondContact O-N 3.29Å
896	P	89.3	Confident	81.3	Confident	64 Å²	64	87.6 Å²	87.6	42%	0.416	45%	0.445	S	S	.	.	B	Isolated β-bridge	trans	-65.8	147.8	174	29.4	-34.3	0	0	0	110.3	Q1025 Q1189	P896-Q1025 WeakPolarHBondContact CA-O 3.28Å; P896-Q1189 HydrophobicContact CB-CG 3.99Å
897	V	94.1	Very high	82.2	Confident	32 Å²	32	83.5 Å²	83.5	19%	0.194	43%	0.426	C	S	.	.			trans	-116.7	157.9	171.8	-65.4	0	0	0	0	110	A901 A902 Q1025 E1027	V897-A901 HydrophobicContact CB-CB 4.13Å; V897-A902 HydrophobicContact CG2-CB 4.08Å; V897-Q1025 PolarHBondContact N-O 3.47Å; V897-E1027 HydrophobicContact CG1-CB 3.78Å; V897-E1027 HydrophobicContact CG1-CG 4.44Å
898	T	96.4	Very high	82.8	Confident	78 Å²	78	83 Å²	83	48%	0.479	44%	0.439	S	S	.	.			trans	-65.4	158.6	172.5	62.4	0	0	0	0	110.4	E900 A901 A902 D1191	T898-E900 PolarHBondContact O-N 2.93Å; T898-A901 PolarHBondContact O-N 3.33Å; T898-A901 WeakPolarHBondContact OG1-CB 3.29Å; T898-A901 PolarHBondContact OG1-N 3.35Å; T898-A902 PolarHBondContact O-N 3.2Å; T898-D1191 WeakPolarHBondContact CA-OD2 3.45Å
899	L	96.9	Very high	84	Confident	7 Å²	7	82.4 Å²	82.4	4%	0.037	42%	0.416	C	S	.	.	H	α-helix	trans	-57.5	-39.8	175.4	178.9	61.2	0	0	0	111.2	A902 R903 Q1025 D1191 Q1192 D1195	L899-A902 PolarHBondContact O-N 3.47Å; L899-R903 VanDerWaalsContact CD2-CZ 3.49Å; L899-R903 WeakPolarHBondContact O-CG 3.34Å; L899-R903 PolarHBondContact O-N 3.44Å; L899-Q1025 VanDerWaalsContact CA-NE2 3.28Å; L899-D1191 PolarHBondContact N-OD2 3.4Å; L899-Q1192 HydrophobicContact CB-CB 4.46Å; L899-Q1192 HydrophobicContact CD1-CB 4.1Å; L899-Q1192 HydrophobicContact CD1-CG 4.08Å; L899-Q1192 HydrophobicContact CD2-CB 4.3Å; L899-D1195 HydrophobicContact CD2-CB 3.58Å
900	E	97	Very high	85.2	Confident	113 Å²	113	77.6 Å²	77.6	53%	0.528	41%	0.406	S	S	.	.	H	α-helix	trans	-64.4	-46.7	177.9	-166.2	66.4	-177.2	0	0	111.6	T898 A902 R903 D904	T898-E900 PolarHBondContact O-N 2.93Å; E900-A902 PolarHBondContact O-N 3.32Å; E900-R903 WeakPolarHBondContact O-CB 3.38Å; E900-R903 PolarHBondContact O-N 2.63Å; E900-D904 PolarHBondContact O-N 3.48Å
901	A	95.8	Very high	86.8	Confident	39 Å²	39	70.8 Å²	70.8	32%	0.322	38%	0.376	S	S	.	.	H	α-helix	trans	-63.3	-32.6	176.5	0	0	0	0	0	112.4	V897 T898 N905	V897-A901 HydrophobicContact CB-CB 4.13Å; T898-A901 PolarHBondContact O-N 3.33Å; T898-A901 WeakPolarHBondContact OG1-CB 3.29Å; T898-A901 PolarHBondContact OG1-N 3.35Å; A901-N905 PolarHBondContact O-N 2.87Å
902	A	96.3	Very high	88.7	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-69.3	-37	172.7	0	0	0	0	0	112.4	V897 T898 L899 E900 N905 D906 R1023 Q1024 Q1025 N1033	V897-A902 HydrophobicContact CG2-CB 4.08Å; T898-A902 PolarHBondContact O-N 3.2Å; L899-A902 PolarHBondContact O-N 3.47Å; E900-A902 PolarHBondContact O-N 3.32Å; A902-N905 CarbonylContact O-C 3.49Å; A902-N905 PolarHBondContact O-N 3.39Å; A902-D906 PolarHBondContact O-N 3.35Å; A902-R1023 HydrophobicContact CB-CG 4.25Å; A902-Q1024 WeakPolarHBondContact CB-O 3.35Å; A902-Q1025 HydrophobicContact CB-CG 4.24Å; A902-N1033 HydrophobicContact CB-CB 4.03Å; A902-N1033 WeakPolarHBondContact O-CB 3.44Å
903	R	96.2	Very high	90.4	Very high	65 Å²	65	68.4 Å²	68.4	25%	0.245	38%	0.376	C	S	.	.	H	α-helix	trans	-68.7	-36.3	174.4	-75.1	171.5	173.8	160	1	112.1	L899 E900 N905 D906 D1002 D1195	L899-R903 VanDerWaalsContact CD2-CZ 3.49Å; L899-R903 WeakPolarHBondContact O-CG 3.34Å; L899-R903 PolarHBondContact O-N 3.44Å; E900-R903 WeakPolarHBondContact O-CB 3.38Å; E900-R903 PolarHBondContact O-N 2.63Å; R903-N905 PolarHBondContact O-N 2.82Å; R903-D906 WeakPolarHBondContact O-CB 3.5Å; R903-D906 PolarHBondContact O-N 3.01Å; R903-D1002 IonicContact CZ-OD2 3.52Å; R903-D1002 IonicContact NE-OD1 2.89Å; R903-D1002 IonicContact NE-OD2 3.29Å; R903-D1002 PolarHBondContact NE-OD2 2.99Å; R903-D1002 IonicContact NH2-OD2 3.33Å; R903-D1002 PolarHBondContact NH2-OD2 2.72Å; R903-D1195 IonicContact CZ-OD2 3.84Å; R903-D1195 IonicContact NH2-OD1 3.79Å; R903-D1195 IonicContact NH2-OD2 3.12Å; R903-D1195 PolarHBondContact NH2-OD2 3.44Å
904	D	94.8	Very high	92.3	Very high	127 Å²	127	61.2 Å²	61.2	68%	0.679	35%	0.349	S	S	*	.	H	α-helix	trans	-64.4	-22.8	174.2	-72.2	-22	0	0	0	112.6	E900	E900-D904 PolarHBondContact O-N 3.48Å
905	N	95.3	Very high	93.4	Very high	58 Å²	58	63.9 Å²	63.9	31%	0.31	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	39.3	175.6	-169.8	49	0	0	0	112	A901 A902 R903 F1031 A1032 N1033	A901-N905 PolarHBondContact O-N 2.87Å; A902-N905 CarbonylContact O-C 3.49Å; A902-N905 PolarHBondContact O-N 3.39Å; R903-N905 PolarHBondContact O-N 2.82Å; N905-F1031 PolarHBondContact ND2-O 3.28Å; N905-A1032 CarbonylContact O-C 3.49Å; N905-A1032 WeakPolarHBondContact O-CA 3.37Å; N905-N1033 PolarHBondContact ND2-OD1 3.28Å; N905-N1033 PolarHBondContact O-N 2.81Å
906	D	93.7	Very high	94.1	Very high	47 Å²	47	61.1 Å²	61.1	25%	0.251	35%	0.347	S	S	.	.	S	Bend	trans	-69.5	175.1	175.5	77.4	-14.2	0	0	0	112.9	A902 R903 A908 R999 A1032	A902-D906 PolarHBondContact O-N 3.35Å; R903-D906 WeakPolarHBondContact O-CB 3.5Å; R903-D906 PolarHBondContact O-N 3.01Å; D906-A908 PolarHBondContact O-N 2.86Å; D906-R999 IonicContact OD2-CZ 2.83Å; D906-R999 IonicContact OD2-NH1 2.81Å; D906-R999 PolarHBondContact OD2-NH1 2.77Å; D906-R999 IonicContact OD2-NH2 2.84Å; D906-R999 PolarHBondContact OD2-NH2 2.89Å; D906-A1032 WeakPolarHBondContact O-CB 3.36Å
907	F	93.3	Very high	94.4	Very high	30 Å²	30	59.4 Å²	59.4	13%	0.132	34%	0.337	C	S	.	.			trans	-68.7	98.8	175.9	173.5	-113.9	0	0	0	110.4	F909 A1032 Y1034 D1038 F1039 D1179	F907-F909 HydrophobicContact CD1-CB 4.04Å; F907-F909 HydrophobicContact CE1-CB 3.57Å; F907-F909 HydrophobicContact CE1-CD2 4.02Å; F907-F909 AromaticContact CE1-CG 3.97Å; F907-F909 HydrophobicContact CE1-CG 3.97Å; F907-F909 HydrophobicContact CZ-CB 4.03Å; F907-F909 AromaticContact CZ-CD2 3.9Å; F907-F909 HydrophobicContact CZ-CD2 3.9Å; F907-F909 HydrophobicContact CZ-CG 4.29Å; F907-F909 PolarHBondContact O-N 3.3Å; F907-A1032 HydrophobicContact CB-CB 4.11Å; F907-Y1034 HydrophobicContact CB-CD1 4.14Å; F907-Y1034 HydrophobicContact CB-CE1 4.08Å; F907-Y1034 AromaticContact CD2-CE1 3.85Å; F907-Y1034 HydrophobicContact CD2-CE1 3.85Å; F907-Y1034 HydrophobicContact CG-CE1 4.2Å; F907-D1038 HydrophobicContact CB-CB 3.89Å; F907-D1038 HydrophobicContact CD1-CB 4.36Å; F907-F1039 HydrophobicContact CD1-CD1 4.32Å; F907-F1039 HydrophobicContact CD1-CE1 4.15Å; F907-F1039 HydrophobicContact CE1-CD1 4.3Å; F907-F1039 HydrophobicContact CE1-CE1 4.24Å; F907-D1179 HydrophobicContact CE1-CB 4.45Å; F907-D1179 HydrophobicContact CZ-CB 3.76Å
908	A	86.1	Confident	94.4	Very high	90 Å²	90	62.3 Å²	62.3	74%	0.744	35%	0.354	S	S	*	.			trans	-72.3	109.4	177.5	0	0	0	0	0	111.2	D906	D906-A908 PolarHBondContact O-N 2.86Å
909	F	92	Very high	94.3	Very high	57 Å²	57	59 Å²	59	25%	0.25	34%	0.335	C	S	.	.			trans	-134.1	139.3	179.5	-175.9	-99.7	0	0	0	111.5	F907 W911 Y914 H1177 D1179	F907-F909 HydrophobicContact CD1-CB 4.04Å; F907-F909 HydrophobicContact CE1-CB 3.57Å; F907-F909 HydrophobicContact CE1-CD2 4.02Å; F907-F909 AromaticContact CE1-CG 3.97Å; F907-F909 HydrophobicContact CE1-CG 3.97Å; F907-F909 HydrophobicContact CZ-CB 4.03Å; F907-F909 AromaticContact CZ-CD2 3.9Å; F907-F909 HydrophobicContact CZ-CD2 3.9Å; F907-F909 HydrophobicContact CZ-CG 4.29Å; F907-F909 PolarHBondContact O-N 3.3Å; F909-W911 AromaticContact CD1-CD2 3.93Å; F909-W911 HydrophobicContact CD1-CD2 3.93Å; F909-W911 AromaticContact CD1-CE2 3.97Å; F909-W911 HydrophobicContact CD1-CE3 4.24Å; F909-W911 HydrophobicContact CD1-CG 4.26Å; F909-W911 HydrophobicContact CD1-CZ2 4.35Å; F909-W911 HydrophobicContact CE1-CD2 4.47Å; F909-W911 HydrophobicContact CE1-CE3 4.35Å; F909-W911 VanDerWaalsContact O-CD1 3.26Å; F909-W911 PolarHBondContact O-N 3.13Å; F909-Y914 AromaticContact CE1-CD1 3.92Å; F909-Y914 HydrophobicContact CE1-CD1 3.92Å; F909-Y914 HydrophobicContact CE1-CD2 4.46Å; F909-Y914 AromaticContact CE1-CG 3.71Å; F909-Y914 HydrophobicContact CE1-CG 3.71Å; F909-Y914 HydrophobicContact CZ-CD1 4.45Å; F909-Y914 HydrophobicContact CZ-CD2 4.24Å; F909-Y914 AromaticContact CZ-CG 3.92Å; F909-Y914 HydrophobicContact CZ-CG 3.92Å; F909-H1177 AromaticContact CD1-NE2 3.63Å; F909-H1177 AromaticContact CD2-CE1 3.98Å; F909-H1177 AromaticContact CE1-NE2 3.27Å; F909-H1177 VanDerWaalsContact CE1-NE2 3.27Å; F909-H1177 WeakPolarHBondContact CE1-NE2 3.43Å; F909-H1177 AromaticContact CE2-CE1 3.67Å; F909-H1177 AromaticContact CE2-NE2 3.72Å; F909-H1177 AromaticContact CG-NE2 3.99Å; F909-H1177 AromaticContact CZ-CE1 3.72Å; F909-H1177 AromaticContact CZ-NE2 3.33Å; F909-H1177 VanDerWaalsContact CZ-NE2 3.33Å; F909-H1177 WeakPolarHBondContact CZ-NE2 3.47Å; F909-D1179 WeakPolarHBondContact CE2-OD2 3.45Å
910	D	93.6	Very high	94.2	Very high	99 Å²	99	64.6 Å²	64.6	53%	0.529	36%	0.36	S	S	.	.			trans	-79.8	84.7	178.4	-175.5	4.2	0	0	0	111.5	Q912 A913 Y914	D910-Q912 PolarHBondContact O-N 3.16Å; D910-Q912 VanDerWaalsContact O-N 3.12Å; D910-Q912 WeakPolarHBondContact OD1-CB 3.4Å; D910-Q912 PolarHBondContact OD1-N 2.93Å; D910-A913 HydrophobicContact CB-CB 4.22Å; D910-A913 PolarHBondContact O-N 3.04Å; D910-A913 VanDerWaalsContact O-N 3.11Å; D910-A913 PolarHBondContact OD1-N 2.7Å; D910-A913 WeakPolarHBondContact OD2-CB 3.34Å; D910-Y914 PolarHBondContact O-N 3.05Å
911	W	92.9	Very high	94	Very high	21 Å²	21	65.1 Å²	65.1	8%	0.08	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-19.3	175.1	-68.1	100.2	0	0	0	114.3	F909 Y914 D1038 A1041 P1042 K1047 H1177	F909-W911 AromaticContact CD1-CD2 3.93Å; F909-W911 HydrophobicContact CD1-CD2 3.93Å; F909-W911 AromaticContact CD1-CE2 3.97Å; F909-W911 HydrophobicContact CD1-CE3 4.24Å; F909-W911 HydrophobicContact CD1-CG 4.26Å; F909-W911 HydrophobicContact CD1-CZ2 4.35Å; F909-W911 HydrophobicContact CE1-CD2 4.47Å; F909-W911 HydrophobicContact CE1-CE3 4.35Å; F909-W911 VanDerWaalsContact O-CD1 3.26Å; F909-W911 PolarHBondContact O-N 3.13Å; W911-Y914 AromaticContact CE3-CD1 3.97Å; W911-Y914 HydrophobicContact CE3-CD1 3.97Å; W911-Y914 AromaticContact CZ3-CD1 3.81Å; W911-Y914 HydrophobicContact CZ3-CD1 3.81Å; W911-Y914 HydrophobicContact CZ3-CE1 4.06Å; W911-Y914 VanDerWaalsContact O-O 3.09Å; W911-D1038 WeakPolarHBondContact CZ2-O 3.47Å; W911-A1041 HydrophobicContact CD2-CB 4.15Å; W911-A1041 HydrophobicContact CE3-CB 3.47Å; W911-A1041 VanDerWaalsContact CE3-CB 3.47Å; W911-A1041 HydrophobicContact CH2-CB 4.24Å; W911-A1041 VanDerWaalsContact CH2-N 3.29Å; W911-A1041 HydrophobicContact CZ3-CB 3.53Å; W911-P1042 HydrophobicContact CG-CG 4.42Å; W911-P1042 VanDerWaalsContact NE1-CD 3.33Å; W911-K1047 WeakPolarHBondContact O-CE 3.47Å; W911-K1047 PolarHBondContact O-NZ 2.92Å; W911-H1177 AromaticContact CH2-CD2 3.75Å
912	Q	92.8	Very high	93.9	Very high	122 Å²	122	66.6 Å²	66.6	57%	0.57	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-36	176.2	-63.9	-56.9	-38.8	0	0	111.4	D910 Y914 S1045 K1047	D910-Q912 PolarHBondContact O-N 3.16Å; D910-Q912 VanDerWaalsContact O-N 3.12Å; D910-Q912 WeakPolarHBondContact OD1-CB 3.4Å; D910-Q912 PolarHBondContact OD1-N 2.93Å; Q912-Y914 VanDerWaalsContact C-N 3.34Å; Q912-S1045 PolarHBondContact NE2-O 3Å; Q912-K1047 PolarHBondContact O-NZ 3.08Å
913	A	93.6	Very high	93.8	Very high	82 Å²	82	67.9 Å²	67.9	68%	0.678	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-16.1	176.1	0	0	0	0	0	114.1	D910	D910-A913 HydrophobicContact CB-CB 4.22Å; D910-A913 PolarHBondContact O-N 3.04Å; D910-A913 VanDerWaalsContact O-N 3.11Å; D910-A913 PolarHBondContact OD1-N 2.7Å; D910-A913 WeakPolarHBondContact OD2-CB 3.34Å
914	Y	94.7	Very high	93.9	Very high	37 Å²	37	67.1 Å²	67.1	15%	0.145	38%	0.375	C	S	.	.			trans	-101	143.5	177.7	-178	-116.5	0	0	0	112.3	F909 D910 W911 Q912 P916 P917 K1047 H1177 P1178	F909-Y914 AromaticContact CE1-CD1 3.92Å; F909-Y914 HydrophobicContact CE1-CD1 3.92Å; F909-Y914 HydrophobicContact CE1-CD2 4.46Å; F909-Y914 AromaticContact CE1-CG 3.71Å; F909-Y914 HydrophobicContact CE1-CG 3.71Å; F909-Y914 HydrophobicContact CZ-CD1 4.45Å; F909-Y914 HydrophobicContact CZ-CD2 4.24Å; F909-Y914 AromaticContact CZ-CG 3.92Å; F909-Y914 HydrophobicContact CZ-CG 3.92Å; D910-Y914 PolarHBondContact O-N 3.05Å; W911-Y914 AromaticContact CE3-CD1 3.97Å; W911-Y914 HydrophobicContact CE3-CD1 3.97Å; W911-Y914 AromaticContact CZ3-CD1 3.81Å; W911-Y914 HydrophobicContact CZ3-CD1 3.81Å; W911-Y914 HydrophobicContact CZ3-CE1 4.06Å; W911-Y914 VanDerWaalsContact O-O 3.09Å; Q912-Y914 VanDerWaalsContact C-N 3.34Å; Y914-P916 HydrophobicContact CD1-CG 3.99Å; Y914-P916 HydrophobicContact CE1-CB 4.03Å; Y914-P916 HydrophobicContact CE1-CG 3.81Å; Y914-P917 WeakPolarHBondContact OH-CD 2.87Å; Y914-K1047 PolarHBondContact O-NZ 3.36Å; Y914-H1177 AromaticContact CE1-CD2 3.83Å; Y914-P1178 HydrophobicContact CE2-CG 4.43Å
915	T	95.1	Very high	93.9	Very high	110 Å²	110	63 Å²	63	68%	0.675	35%	0.352	S	S	*	.			trans	-121.4	108.2	170.9	-59.5	0	0	0	0	107.5
916	P	96.1	Very high	93.9	Very high	5 Å²	5	65.7 Å²	65.7	3%	0.032	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-58	142.2	179.6	-23.4	31.8	0	0	0	112.5	Y914 V918 A1041 K1047 D1049	Y914-P916 HydrophobicContact CD1-CG 3.99Å; Y914-P916 HydrophobicContact CE1-CB 4.03Å; Y914-P916 HydrophobicContact CE1-CG 3.81Å; P916-V918 PolarHBondContact O-N 3.28Å; P916-A1041 HydrophobicContact CG-CB 4.3Å; P916-K1047 HydrophobicContact CG-CB 4.48Å; P916-D1049 HydrophobicContact CB-CB 3.96Å; P916-D1049 VanDerWaalsContact CB-CG 3.45Å; P916-D1049 VanDerWaalsContact CB-OD1 3.3Å; P916-D1049 WeakPolarHBondContact CB-OD1 3.48Å; P916-D1049 HydrophobicContact CG-CB 3.87Å
917	P	95.8	Very high	94	Very high	29 Å²	29	63.9 Å²	63.9	19%	0.188	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-67.8	131.3	-179.2	26.9	-33.4	0	0	0	111.2	Y914 A919 Y1050 W1105 Y1107 S1176	Y914-P917 WeakPolarHBondContact OH-CD 2.87Å; P917-A919 PolarHBondContact O-N 3.43Å; P917-Y1050 VanDerWaalsContact O-CD2 3.3Å; P917-Y1050 WeakPolarHBondContact O-CD2 3.43Å; P917-Y1050 WeakPolarHBondContact O-CE2 3.3Å; P917-W1105 PolarHBondContact O-NE1 3.33Å; P917-Y1107 HydrophobicContact CG-CG 4.38Å; P917-S1176 WeakPolarHBondContact CG-OG 3.29Å
918	V	94.9	Very high	93.7	Very high	93 Å²	93	70.5 Å²	70.5	56%	0.564	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-73.9	123.5	178.8	179.2	0	0	0	0	110	P916 H920	P916-V918 PolarHBondContact O-N 3.28Å; V918-H920 PolarHBondContact O-N 3.11Å
919	A	94	Very high	94.1	Very high	8 Å²	8	66.7 Å²	66.7	7%	0.066	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-65.4	127.2	176.4	0	0	0	0	0	111.6	P917 L922 L994 Y1050 W1105	P917-A919 PolarHBondContact O-N 3.43Å; A919-L922 HydrophobicContact CB-CD2 3.8Å; A919-L994 HydrophobicContact CB-CB 4.26Å; A919-L994 HydrophobicContact CB-CD1 3.97Å; A919-Y1050 HydrophobicContact CB-CD1 4.05Å; A919-Y1050 HydrophobicContact CB-CE1 4.38Å; A919-Y1050 HydrophobicContact CB-CG 4.24Å; A919-W1105 HydrophobicContact CB-CG 4.3Å
920	H	94.2	Very high	94.3	Very high	125 Å²	125	66.6 Å²	66.6	58%	0.579	36%	0.359	S	S	*	.	S	Bend	trans	-72	-28.2	-178.5	-61	159.1	0	0	0	113.6	V918 V1103 Y1104	V918-H920 PolarHBondContact O-N 3.11Å; H920-V1103 PolarHBondContact ND1-O 3.37Å; H920-Y1104 WeakPolarHBondContact CB-O 3.24Å; H920-Y1104 PolarHBondContact N-O 3.5Å; H920-Y1104 VanDerWaalsContact N-O 3.07Å
921	R	92.9	Very high	94.5	Very high	124 Å²	124	62.2 Å²	62.2	47%	0.468	34%	0.336	S	S	.	.	S	Bend	trans	-137.8	98	-178.4	-58.6	-169.2	-162.1	167	0.4	111.7	Q925 Y1104	R921-Q925 PolarHBondContact O-NE2 2.89Å; R921-Y1104 PolarHBondContact N-O 2.96Å; R921-Y1104 VanDerWaalsContact N-O 3.09Å
922	L	94.3	Very high	94.6	Very high	70 Å²	70	67.6 Å²	67.6	37%	0.366	36%	0.362	S	S	.	.			trans	-77.6	155.7	175.4	-63.2	178.9	0	0	0	112.5	A919 L994 P996 E1010 Y1050	A919-L922 HydrophobicContact CB-CD2 3.8Å; L922-L994 WeakPolarHBondContact CA-O 3.36Å; L922-L994 HydrophobicContact CD2-CB 4.42Å; L922-P996 HydrophobicContact CD1-CG 4.07Å; L922-P996 HydrophobicContact CD2-CG 4.42Å; L922-E1010 HydrophobicContact CD1-CG 3.96Å; L922-Y1050 HydrophobicContact CD2-CD1 3.9Å; L922-Y1050 HydrophobicContact CD2-CE1 4.03Å
923	G	93.9	Very high	94.8	Very high	26 Å²	26	64.1 Å²	64.1	27%	0.268	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	90	179.5	176.8	0	0	0	0	0	114	G993 L994	G923-G993 WeakPolarHBondContact O-CA 3.45Å; G923-L994 PolarHBondContact N-O 3.11Å; G923-L994 PolarHBondContact O-N 2.82Å
924	V	97.1	Very high	95	Very high	50 Å²	50	60.2 Å²	60.2	30%	0.303	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	136.1	-174.8	-177.1	0	0	0	0	110.9	V991 V992 F995 L1147 L1148	V924-V991 HydrophobicContact CG1-CG2 3.5Å; V924-V991 VanDerWaalsContact CG1-CG2 3.5Å; V924-V992 WeakPolarHBondContact CA-O 3.47Å; V924-F995 HydrophobicContact CG2-CE1 4.35Å; V924-F995 HydrophobicContact CG2-CZ 3.79Å; V924-L1147 WeakPolarHBondContact CG2-O 3.13Å; V924-L1148 WeakPolarHBondContact CG1-O 3.21Å; V924-L1148 HydrophobicContact CG2-CD2 4.17Å
925	Q	95.6	Very high	95	Very high	41 Å²	41	61.6 Å²	61.6	19%	0.192	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	132.6	-179.7	15.3	-178.2	-12.1	0	0	110.4	R921 V992	R921-Q925 PolarHBondContact O-NE2 2.89Å; Q925-V992 HydrophobicContact CG-CG1 3.96Å; Q925-V992 PolarHBondContact N-O 2.93Å; Q925-V992 PolarHBondContact O-N 2.93Å
926	E	96.4	Very high	95	Very high	114 Å²	114	61.5 Å²	61.5	53%	0.533	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	142.6	169.9	-73.1	168.9	-149	0	0	110.1	H1153	E926-H1153 HydrophobicContact CG-CB 3.83Å; E926-H1153 WeakPolarHBondContact CG-ND1 3.37Å; E926-H1153 IonicContact OE1-CE1 3.32Å; E926-H1153 IonicContact OE1-CG 3.36Å; E926-H1153 IonicContact OE1-ND1 3.71Å; E926-H1153 PolarHBondContact OE1-ND1 3.25Å
927	V	94.8	Very high	95.1	Very high	9 Å²	9	63.1 Å²	63.1	6%	0.055	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	128.3	176.6	-174.2	0	0	0	0	108.6	G990 V992 F1092 L1096 Y1104	V927-G990 PolarHBondContact N-O 3.24Å; V927-G990 PolarHBondContact O-N 3.19Å; V927-V992 HydrophobicContact CG2-CG1 3.78Å; V927-F1092 HydrophobicContact CB-CZ 4.46Å; V927-F1092 HydrophobicContact CG1-CE2 4.08Å; V927-F1092 HydrophobicContact CG1-CZ 4.24Å; V927-F1092 WeakPolarHBondContact O-CZ 3.47Å; V927-L1096 HydrophobicContact CB-CD1 4.29Å; V927-L1096 HydrophobicContact CG1-CD1 4.15Å; V927-L1096 HydrophobicContact CG2-CD1 3.86Å; V927-Y1104 HydrophobicContact CG2-CE2 4.49Å
928	E	87.7	Confident	95.2	Very high	168 Å²	168	61.9 Å²	61.9	79%	0.785	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.4	142.5	172.1	-64.4	-177.3	168.1	0	0	109.6
929	A	94.1	Very high	95.2	Very high	11 Å²	11	59.4 Å²	59.4	9%	0.091	30%	0.298	C	S	.	.			trans	-140.5	136.2	172.8	0	0	0	0	0	109.9	L934 F1092 Y1095	A929-L934 HydrophobicContact CB-CD1 4.15Å; A929-L934 HydrophobicContact CB-CD2 3.65Å; A929-L934 HydrophobicContact CB-CG 3.83Å; A929-F1092 HydrophobicContact CB-CD2 4.04Å; A929-F1092 HydrophobicContact CB-CE1 4.24Å; A929-F1092 HydrophobicContact CB-CE2 3.63Å; A929-F1092 HydrophobicContact CB-CZ 3.74Å; A929-Y1095 HydrophobicContact CB-CD1 4.16Å; A929-Y1095 HydrophobicContact CB-CE1 4.01Å
930	S	95.8	Very high	95.3	Very high	54 Å²	54	59.6 Å²	59.6	38%	0.378	30%	0.297	S	S	.	.			trans	-79.9	152.9	176.2	68.2	0	0	0	0	111.1	E932 T933 L934	S930-E932 PolarHBondContact O-N 3.48Å; S930-T933 WeakPolarHBondContact O-CB 3.16Å; S930-T933 PolarHBondContact O-N 2.87Å; S930-T933 PolarHBondContact OG-N 3.15Å; S930-T933 VanDerWaalsContact OG-N 3.17Å; S930-T933 PolarHBondContact OG-OG1 3.23Å; S930-L934 WeakPolarHBondContact O-CG 3.26Å; S930-L934 PolarHBondContact O-N 3.17Å
931	I	97	Very high	95.2	Very high	7 Å²	7	54.4 Å²	54.4	4%	0.036	28%	0.275	C	S	.	.	H	α-helix	trans	-54.7	-41.7	172.5	-67.7	177.3	0	0	0	110.6	T933 L934 R935 L977 L980 L986 P988 L1088	I931-T933 VanDerWaalsContact C-N 3.27Å; I931-T933 PolarHBondContact O-N 3.15Å; I931-L934 PolarHBondContact O-N 3Å; I931-R935 WeakPolarHBondContact O-CB 3.46Å; I931-R935 PolarHBondContact O-N 3.16Å; I931-L977 HydrophobicContact CG2-CB 4.36Å; I931-L977 HydrophobicContact CG2-CD2 3.89Å; I931-L980 HydrophobicContact CD1-CB 3.94Å; I931-L986 HydrophobicContact CD1-CB 4.44Å; I931-P988 HydrophobicContact CG1-CG 4.21Å; I931-L1088 HydrophobicContact CD1-CD1 4.35Å; I931-L1088 HydrophobicContact CG1-CD1 4.16Å; I931-L1088 HydrophobicContact CG2-CD2 4.33Å
932	E	95.9	Very high	95.2	Very high	135 Å²	135	50.1 Å²	50.1	63%	0.631	26%	0.263	S	S	*	.	H	α-helix	trans	-57.4	-38.2	176.4	-65.1	177.6	-175.1	0	0	112.9	S930 N936	S930-E932 PolarHBondContact O-N 3.48Å; E932-N936 PolarHBondContact O-ND2 2.91Å; E932-N936 VanDerWaalsContact O-ND2 3.14Å
933	T	96.7	Very high	95.2	Very high	49 Å²	49	46.8 Å²	46.8	30%	0.301	25%	0.245	S	C	.	.	H	α-helix	trans	-72.5	-50.2	176.2	-57.6	0	0	0	0	111	S930 I931 R935 N936 Y1095	S930-T933 WeakPolarHBondContact O-CB 3.16Å; S930-T933 PolarHBondContact O-N 2.87Å; S930-T933 PolarHBondContact OG-N 3.15Å; S930-T933 VanDerWaalsContact OG-N 3.17Å; S930-T933 PolarHBondContact OG-OG1 3.23Å; I931-T933 VanDerWaalsContact C-N 3.27Å; I931-T933 PolarHBondContact O-N 3.15Å; T933-R935 VanDerWaalsContact C-N 3.27Å; T933-R935 PolarHBondContact O-N 3.07Å; T933-N936 PolarHBondContact O-N 3.2Å; T933-N936 PolarHBondContact O-ND2 2.74Å; T933-Y1095 HydrophobicContact CG2-CD2 4.2Å; T933-Y1095 HydrophobicContact CG2-CE2 3.83Å
934	L	97.7	Very high	95.2	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-64.8	-29.6	-175.9	-65.9	-175.9	0	0	0	113	A929 S930 I931 N936 Y937 P988 L1088 A1091 F1092 Y1095	A929-L934 HydrophobicContact CB-CD1 4.15Å; A929-L934 HydrophobicContact CB-CD2 3.65Å; A929-L934 HydrophobicContact CB-CG 3.83Å; S930-L934 WeakPolarHBondContact O-CG 3.26Å; S930-L934 PolarHBondContact O-N 3.17Å; I931-L934 PolarHBondContact O-N 3Å; L934-N936 PolarHBondContact O-N 2.82Å; L934-Y937 PolarHBondContact O-N 3.27Å; L934-P988 HydrophobicContact CD1-CB 3.67Å; L934-P988 HydrophobicContact CD1-CG 3.68Å; L934-L1088 HydrophobicContact CB-CD2 3.91Å; L934-L1088 HydrophobicContact CD1-CD2 4.3Å; L934-A1091 HydrophobicContact CB-CB 4.4Å; L934-F1092 HydrophobicContact CD1-CB 3.89Å; L934-F1092 HydrophobicContact CD1-CD1 4.21Å; L934-F1092 HydrophobicContact CD1-CG 4.07Å; L934-F1092 HydrophobicContact CD2-CB 3.86Å; L934-F1092 HydrophobicContact CD2-CD2 3.93Å; L934-F1092 HydrophobicContact CD2-CG 3.99Å; L934-Y1095 HydrophobicContact CD2-CD1 4.18Å; L934-Y1095 HydrophobicContact CD2-CG 4.14Å
935	R	95.7	Very high	94.7	Very high	65 Å²	65	48.4 Å²	48.4	25%	0.245	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-53.3	-28.4	176.4	-164.1	-176	-160.2	159.7	6.3	113.2	I931 T933 Y937 I938 N974 L977 D978	I931-R935 WeakPolarHBondContact O-CB 3.46Å; I931-R935 PolarHBondContact O-N 3.16Å; T933-R935 VanDerWaalsContact C-N 3.27Å; T933-R935 PolarHBondContact O-N 3.07Å; R935-Y937 VanDerWaalsContact C-N 3.25Å; R935-Y937 PolarHBondContact O-N 3.17Å; R935-I938 HydrophobicContact CG-CD1 4.42Å; R935-N974 VanDerWaalsContact CZ-OD1 3.26Å; R935-N974 PolarHBondContact NE-OD1 3.19Å; R935-N974 VanDerWaalsContact NE-OD1 3.09Å; R935-N974 VanDerWaalsContact NH2-CG 3.28Å; R935-N974 PolarHBondContact NH2-O 3.33Å; R935-N974 PolarHBondContact NH2-OD1 2.93Å; R935-L977 HydrophobicContact CG-CD1 4.32Å; R935-D978 IonicContact CZ-OD1 3.36Å; R935-D978 IonicContact NH1-OD1 2.72Å; R935-D978 PolarHBondContact NH1-OD1 2.84Å; R935-D978 IonicContact NH2-OD1 3.68Å; R935-D978 PolarHBondContact NH2-OD1 3.23Å; R935-D978 IonicContact NH2-OD2 3.63Å
936	N	95.4	Very high	94.2	Very high	108 Å²	108	48.1 Å²	48.1	58%	0.578	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-75.8	-9.8	178.6	-55.1	-63	0	0	0	114.1	E932 T933 L934	E932-N936 PolarHBondContact O-ND2 2.91Å; E932-N936 VanDerWaalsContact O-ND2 3.14Å; T933-N936 PolarHBondContact O-N 3.2Å; T933-N936 PolarHBondContact O-ND2 2.74Å; L934-N936 PolarHBondContact O-N 2.82Å
937	Y	97.2	Very high	93.7	Very high	40 Å²	40	42.7 Å²	42.7	16%	0.157	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-115.1	4.7	-176.8	-62.7	-98.5	0	0	0	112.6	L934 R935 D939 E1094 Y1095 E1098 N1115 L1118	L934-Y937 PolarHBondContact O-N 3.27Å; R935-Y937 VanDerWaalsContact C-N 3.25Å; R935-Y937 PolarHBondContact O-N 3.17Å; Y937-D939 PolarHBondContact O-N 2.7Å; Y937-E1094 HydrophobicContact CD1-CG 4.28Å; Y937-Y1095 HydrophobicContact CD2-CD2 4.27Å; Y937-Y1095 HydrophobicContact CE1-CD2 4.29Å; Y937-Y1095 AromaticContact CE2-CD2 3.61Å; Y937-Y1095 HydrophobicContact CE2-CD2 3.61Å; Y937-Y1095 HydrophobicContact CE2-CE2 4.46Å; Y937-Y1095 HydrophobicContact CE2-CG 4.37Å; Y937-Y1095 AromaticContact CZ-CD2 3.61Å; Y937-E1098 WeakPolarHBondContact CE1-OE2 3.28Å; Y937-E1098 PolarHBondContact OH-OE2 2.97Å; Y937-N1115 WeakPolarHBondContact CA-OD1 3.46Å; Y937-L1118 HydrophobicContact CD1-CD1 3.83Å; Y937-L1118 HydrophobicContact CE1-CD1 3.86Å
938	I	97.4	Very high	93.1	Very high	2 Å²	2	45 Å²	45	1%	0.01	24%	0.236	C	C	.	.			trans	-72.1	123	-179.2	-65.6	175.1	0	0	0	109.5	R935 W940 L977 R1087 L1088 A1091 N1115	R935-I938 HydrophobicContact CG-CD1 4.42Å; I938-W940 HydrophobicContact CB-CD2 4.48Å; I938-W940 HydrophobicContact CB-CZ2 4.44Å; I938-W940 HydrophobicContact CD1-CH2 4.27Å; I938-W940 HydrophobicContact CD1-CZ2 3.83Å; I938-W940 HydrophobicContact CG2-CD2 3.55Å; I938-W940 HydrophobicContact CG2-CE3 4.13Å; I938-W940 HydrophobicContact CG2-CG 3.73Å; I938-W940 HydrophobicContact CG2-CZ2 4.12Å; I938-W940 PolarHBondContact O-N 3.36Å; I938-L977 HydrophobicContact CD1-CD1 4.27Å; I938-R1087 HydrophobicContact CG2-CB 4.1Å; I938-R1087 HydrophobicContact CG2-CG 4.42Å; I938-L1088 HydrophobicContact CD1-CD2 4.35Å; I938-A1091 HydrophobicContact CG1-CB 3.79Å; I938-N1115 PolarHBondContact O-ND2 3.25Å
939	D	95.8	Very high	92.8	Very high	42 Å²	42	37.1 Å²	37.1	23%	0.225	20%	0.199	C	C	.	.			trans	-79.8	108.7	153.9	-174.7	2.6	0	0	0	108.7	Y937 T941 P942 R1087 I1119	Y937-D939 PolarHBondContact O-N 2.7Å; D939-T941 VanDerWaalsContact C-N 3.33Å; D939-T941 VanDerWaalsContact OD1-CB 3.28Å; D939-T941 WeakPolarHBondContact OD1-CB 3.23Å; D939-T941 PolarHBondContact OD1-N 3.12Å; D939-T941 PolarHBondContact OD1-OG1 2.81Å; D939-P942 VanDerWaalsContact CG-CD 3.43Å; D939-P942 WeakPolarHBondContact O-CD 3.25Å; D939-P942 WeakPolarHBondContact OD2-CD 3.34Å; D939-R1087 WeakPolarHBondContact O-CD 3.36Å; D939-R1087 PolarHBondContact O-NH1 2.88Å; D939-I1119 HydrophobicContact CB-CD1 3.68Å; D939-I1119 HydrophobicContact CB-CG1 3.95Å
940	W	95.7	Very high	91.9	Very high	11 Å²	11	40.3 Å²	40.3	4%	0.042	23%	0.226	C	C	.	.			trans	-81.2	-12.7	179.7	-69.5	99.6	0	0	0	112.6	I938 F943 F944 Y953 F970 A973 L977 L1084	I938-W940 HydrophobicContact CB-CD2 4.48Å; I938-W940 HydrophobicContact CB-CZ2 4.44Å; I938-W940 HydrophobicContact CD1-CH2 4.27Å; I938-W940 HydrophobicContact CD1-CZ2 3.83Å; I938-W940 HydrophobicContact CG2-CD2 3.55Å; I938-W940 HydrophobicContact CG2-CE3 4.13Å; I938-W940 HydrophobicContact CG2-CG 3.73Å; I938-W940 HydrophobicContact CG2-CZ2 4.12Å; I938-W940 PolarHBondContact O-N 3.36Å; W940-F943 HydrophobicContact CE3-CB 4.05Å; W940-F943 AromaticContact CE3-CD1 3.75Å; W940-F943 HydrophobicContact CE3-CD1 3.75Å; W940-F943 HydrophobicContact CE3-CE1 4.36Å; W940-F943 AromaticContact CE3-CG 3.87Å; W940-F943 HydrophobicContact CE3-CG 3.87Å; W940-F943 HydrophobicContact CZ3-CD1 4.09Å; W940-F943 HydrophobicContact CZ3-CD2 4.41Å; W940-F943 HydrophobicContact CZ3-CE1 4.31Å; W940-F943 HydrophobicContact CZ3-CG 4.15Å; W940-F943 VanDerWaalsContact O-CB 3.29Å; W940-F943 WeakPolarHBondContact O-CB 3.35Å; W940-F943 PolarHBondContact O-N 3.46Å; W940-F943 VanDerWaalsContact O-N 3.12Å; W940-F944 HydrophobicContact CB-CD2 4.48Å; W940-F944 HydrophobicContact CB-CE2 3.99Å; W940-F944 WeakPolarHBondContact O-CD2 3.35Å; W940-F944 PolarHBondContact O-N 2.75Å; W940-Y953 HydrophobicContact CB-CD1 3.65Å; W940-Y953 HydrophobicContact CB-CD2 3.58Å; W940-Y953 HydrophobicContact CB-CE1 4.09Å; W940-Y953 HydrophobicContact CB-CE2 3.99Å; W940-Y953 HydrophobicContact CB-CG 3.36Å; W940-Y953 AromaticContact CD1-CD1 3.95Å; W940-Y953 AromaticContact CD1-CE1 3.53Å; W940-Y953 AromaticContact CD1-CZ 3.6Å; W940-Y953 HydrophobicContact CG-CD1 4.16Å; W940-Y953 HydrophobicContact CG-CD2 4.17Å; W940-Y953 HydrophobicContact CG-CE1 4.1Å; W940-Y953 HydrophobicContact CG-CE2 4.07Å; W940-Y953 HydrophobicContact CG-CG 4.18Å; W940-F970 HydrophobicContact CD2-CD2 4.17Å; W940-F970 AromaticContact CD2-CE2 3.64Å; W940-F970 HydrophobicContact CD2-CE2 3.64Å; W940-F970 AromaticContact CE2-CE2 3.59Å; W940-F970 HydrophobicContact CE3-CD2 4.04Å; W940-F970 AromaticContact CE3-CE2 3.96Å; W940-F970 HydrophobicContact CE3-CE2 3.96Å; W940-F970 HydrophobicContact CG-CE2 4.1Å; W940-F970 HydrophobicContact CH2-CD2 4.49Å; W940-F970 HydrophobicContact CH2-CE2 4.15Å; W940-F970 AromaticContact CZ2-CE2 3.86Å; W940-F970 HydrophobicContact CZ2-CE2 3.86Å; W940-F970 HydrophobicContact CZ3-CD2 4.21Å; W940-F970 HydrophobicContact CZ3-CE2 4.2Å; W940-F970 AromaticContact NE1-CE2 3.99Å; W940-A973 HydrophobicContact CH2-CB 4.35Å; W940-A973 HydrophobicContact CZ3-CB 4.02Å; W940-L977 HydrophobicContact CH2-CD1 3.71Å; W940-L977 HydrophobicContact CZ2-CD1 4.11Å; W940-L1084 HydrophobicContact CH2-CD2 4.24Å; W940-L1084 HydrophobicContact CZ3-CD2 4.17Å
941	T	93.2	Very high	91	Very high	17 Å²	17	39 Å²	39	10%	0.104	22%	0.22	C	C	.	.	H	α-helix	trans	-57.4	-50.2	179.4	-60.8	0	0	0	0	111.6	D939 F943 F944 M945 K952 Y953	D939-T941 VanDerWaalsContact C-N 3.33Å; D939-T941 VanDerWaalsContact OD1-CB 3.28Å; D939-T941 WeakPolarHBondContact OD1-CB 3.23Å; D939-T941 PolarHBondContact OD1-N 3.12Å; D939-T941 PolarHBondContact OD1-OG1 2.81Å; T941-F943 VanDerWaalsContact C-N 3.27Å; T941-F943 PolarHBondContact O-N 3.39Å; T941-F944 PolarHBondContact O-N 3.34Å; T941-M945 HydrophobicContact CG2-CE 3.66Å; T941-M945 HydrophobicContact CG2-SD 4.3Å; T941-M945 WeakPolarHBondContact O-CG 3.38Å; T941-M945 PolarHBondContact O-N 2.91Å; T941-M945 VanDerWaalsContact O-N 3.16Å; T941-K952 HydrophobicContact CG2-CB 4.3Å; T941-K952 HydrophobicContact CG2-CG 4.19Å; T941-Y953 PolarHBondContact OG1-N 2.78Å
942	P	91.9	Very high	90.5	Very high	34 Å²	34	44.7 Å²	44.7	22%	0.221	25%	0.245	C	C	.	.	H	α-helix	trans	-68.6	-24.9	178.5	-19.2	34.3	0	0	0	113.1	D939 M945 T946 R1087	D939-P942 VanDerWaalsContact CG-CD 3.43Å; D939-P942 WeakPolarHBondContact O-CD 3.25Å; D939-P942 WeakPolarHBondContact OD2-CD 3.34Å; P942-M945 PolarHBondContact O-N 3.28Å; P942-T946 PolarHBondContact O-N 2.76Å; P942-T946 PolarHBondContact O-OG1 3.37Å; P942-T946 VanDerWaalsContact O-OG1 3.05Å; P942-R1087 VanDerWaalsContact CB-NH1 3.34Å; P942-R1087 VanDerWaalsContact CG-NH1 3.31Å
943	F	95.2	Very high	90.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-58.3	-49.2	172.5	169.9	-99.3	0	0	0	110.7	W940 T941 M945 T946 W947 L969 A973 M1080 A1083 L1084 R1087	W940-F943 HydrophobicContact CE3-CB 4.05Å; W940-F943 AromaticContact CE3-CD1 3.75Å; W940-F943 HydrophobicContact CE3-CD1 3.75Å; W940-F943 HydrophobicContact CE3-CE1 4.36Å; W940-F943 AromaticContact CE3-CG 3.87Å; W940-F943 HydrophobicContact CE3-CG 3.87Å; W940-F943 HydrophobicContact CZ3-CD1 4.09Å; W940-F943 HydrophobicContact CZ3-CD2 4.41Å; W940-F943 HydrophobicContact CZ3-CE1 4.31Å; W940-F943 HydrophobicContact CZ3-CG 4.15Å; W940-F943 VanDerWaalsContact O-CB 3.29Å; W940-F943 WeakPolarHBondContact O-CB 3.35Å; W940-F943 PolarHBondContact O-N 3.46Å; W940-F943 VanDerWaalsContact O-N 3.12Å; T941-F943 VanDerWaalsContact C-N 3.27Å; T941-F943 PolarHBondContact O-N 3.39Å; F943-M945 VanDerWaalsContact C-N 3.35Å; F943-M945 PolarHBondContact O-N 3.28Å; F943-T946 WeakPolarHBondContact O-CB 3.34Å; F943-T946 PolarHBondContact O-N 2.74Å; F943-W947 AromaticContact CE2-NE1 3.74Å; F943-W947 AromaticContact CZ-NE1 3.76Å; F943-W947 VanDerWaalsContact O-CD1 3.28Å; F943-L969 HydrophobicContact CE1-CD2 3.87Å; F943-L969 HydrophobicContact CE1-CG 3.8Å; F943-L969 HydrophobicContact CZ-CD1 4.3Å; F943-L969 HydrophobicContact CZ-CD2 4.26Å; F943-L969 HydrophobicContact CZ-CG 3.95Å; F943-A973 HydrophobicContact CE1-CB 4.04Å; F943-A973 HydrophobicContact CE2-CB 4.16Å; F943-A973 HydrophobicContact CZ-CB 3.53Å; F943-M1080 HydrophobicContact CE2-SD 3.78Å; F943-M1080 HydrophobicContact CZ-CE 4.28Å; F943-M1080 HydrophobicContact CZ-SD 3.72Å; F943-A1083 HydrophobicContact CD2-CB 4.16Å; F943-A1083 HydrophobicContact CE2-CB 4.16Å; F943-L1084 HydrophobicContact CE2-CD2 4.26Å; F943-R1087 HydrophobicContact CB-CG 3.89Å; F943-R1087 HydrophobicContact CD2-CG 4.33Å
944	F	93.2	Very high	89.8	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-66.2	-36.2	176.6	-66.3	-70.2	0	0	0	113.1	W940 T941 T946 W947 S948 L949 Y953 I956 L957 A966 L969 F970	W940-F944 HydrophobicContact CB-CD2 4.48Å; W940-F944 HydrophobicContact CB-CE2 3.99Å; W940-F944 WeakPolarHBondContact O-CD2 3.35Å; W940-F944 PolarHBondContact O-N 2.75Å; T941-F944 PolarHBondContact O-N 3.34Å; F944-T946 VanDerWaalsContact C-N 3.3Å; F944-T946 PolarHBondContact O-N 2.8Å; F944-W947 CarbonylContact O-C 3.6Å; F944-W947 WeakPolarHBondContact O-CA 3.4Å; F944-W947 PolarHBondContact O-N 2.88Å; F944-S948 PolarHBondContact O-N 3.44Å; F944-L949 HydrophobicContact CB-CB 4.22Å; F944-L949 HydrophobicContact CD1-CD1 4.1Å; F944-L949 PolarHBondContact O-N 3.13Å; F944-Y953 HydrophobicContact CD2-CD2 4.48Å; F944-Y953 AromaticContact CE2-CD2 3.55Å; F944-Y953 HydrophobicContact CE2-CD2 3.55Å; F944-Y953 HydrophobicContact CE2-CE2 4.41Å; F944-Y953 HydrophobicContact CE2-CG 4.23Å; F944-Y953 HydrophobicContact CZ-CD2 4.28Å; F944-I956 HydrophobicContact CB-CD1 3.44Å; F944-I956 VanDerWaalsContact CB-CD1 3.44Å; F944-I956 HydrophobicContact CB-CG2 4.48Å; F944-I956 HydrophobicContact CD1-CD1 4.14Å; F944-I956 HydrophobicContact CD1-CG2 4.25Å; F944-I956 HydrophobicContact CD2-CD1 4.32Å; F944-I956 HydrophobicContact CD2-CG2 3.41Å; F944-I956 VanDerWaalsContact CD2-CG2 3.41Å; F944-I956 HydrophobicContact CE1-CG2 4.4Å; F944-I956 HydrophobicContact CE2-CG2 3.62Å; F944-I956 HydrophobicContact CG-CD1 3.71Å; F944-I956 HydrophobicContact CG-CG2 3.78Å; F944-I956 HydrophobicContact CZ-CG2 4.12Å; F944-L957 HydrophobicContact CE1-CD2 4.14Å; F944-L957 HydrophobicContact CE2-CD2 4.4Å; F944-L957 HydrophobicContact CZ-CD2 3.61Å; F944-A966 HydrophobicContact CD1-CB 4.13Å; F944-A966 HydrophobicContact CE1-CB 3.87Å; F944-A966 WeakPolarHBondContact CE1-O 3.37Å; F944-L969 HydrophobicContact CD1-CD2 3.99Å; F944-L969 HydrophobicContact CE1-CD2 4.24Å; F944-F970 HydrophobicContact CE1-CB 4.35Å; F944-F970 HydrophobicContact CZ-CB 4.01Å; F944-F970 HydrophobicContact CZ-CD2 4.06Å; F944-F970 HydrophobicContact CZ-CG 4.36Å
945	M	87.1	Confident	89.3	Confident	109 Å²	109	47.4 Å²	47.4	54%	0.537	25%	0.249	S	C	.	.	H	α-helix	trans	-61.7	-36.5	175.1	-68	178.5	172.3	0	0	112.5	T941 P942 F943 W947 S948	T941-M945 HydrophobicContact CG2-CE 3.66Å; T941-M945 HydrophobicContact CG2-SD 4.3Å; T941-M945 WeakPolarHBondContact O-CG 3.38Å; T941-M945 PolarHBondContact O-N 2.91Å; T941-M945 VanDerWaalsContact O-N 3.16Å; P942-M945 PolarHBondContact O-N 3.28Å; F943-M945 VanDerWaalsContact C-N 3.35Å; F943-M945 PolarHBondContact O-N 3.28Å; M945-W947 PolarHBondContact O-N 3.41Å; M945-S948 WeakPolarHBondContact O-CA 3.35Å; M945-S948 PolarHBondContact O-N 2.88Å
946	T	84.9	Confident	88.9	Confident	36 Å²	36	44.3 Å²	44.3	22%	0.221	24%	0.237	C	C	.	.	H	α-helix	trans	-56.7	-36.7	172.7	-57.4	0	0	0	0	111.5	I754 I758 P942 F943 F944 S948 A1083	I754-T946 HydrophobicContact CG2-CG2 3.59Å; I758-T946 WeakPolarHBondContact CD1-O 3.11Å; P942-T946 PolarHBondContact O-N 2.76Å; P942-T946 PolarHBondContact O-OG1 3.37Å; P942-T946 VanDerWaalsContact O-OG1 3.05Å; F943-T946 WeakPolarHBondContact O-CB 3.34Å; F943-T946 PolarHBondContact O-N 2.74Å; F944-T946 VanDerWaalsContact C-N 3.3Å; F944-T946 PolarHBondContact O-N 2.8Å; T946-S948 PolarHBondContact O-N 3.47Å; T946-A1083 HydrophobicContact CG2-CB 4.35Å
947	W	85.9	Confident	88.6	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	12.2	175.5	-68.2	95.1	0	0	0	113.8	L708 P709 V712 F943 F944 M945 L949 L969 Y1076 I1079 M1080	L708-W947 WeakPolarHBondContact CB-O 3.44Å; L708-W947 HydrophobicContact CG-CE3 4.48Å; P709-W947 HydrophobicContact CB-CE3 4.08Å; P709-W947 HydrophobicContact CB-CZ3 4.37Å; P709-W947 HydrophobicContact CG-CB 4.09Å; P709-W947 HydrophobicContact CG-CD2 4.18Å; P709-W947 HydrophobicContact CG-CE3 3.75Å; P709-W947 HydrophobicContact CG-CG 4.36Å; V712-W947 HydrophobicContact CB-CZ3 4.25Å; V712-W947 HydrophobicContact CG2-CZ3 4.12Å; F943-W947 AromaticContact CE2-NE1 3.74Å; F943-W947 AromaticContact CZ-NE1 3.76Å; F943-W947 VanDerWaalsContact O-CD1 3.28Å; F944-W947 CarbonylContact O-C 3.6Å; F944-W947 WeakPolarHBondContact O-CA 3.4Å; F944-W947 PolarHBondContact O-N 2.88Å; M945-W947 PolarHBondContact O-N 3.41Å; W947-L949 HydrophobicContact CB-CG 4.29Å; W947-L949 PolarHBondContact O-N 2.68Å; W947-L949 VanDerWaalsContact O-N 3.08Å; W947-L969 HydrophobicContact CB-CD2 3.8Å; W947-L969 HydrophobicContact CD2-CD1 3.91Å; W947-L969 HydrophobicContact CD2-CD2 4.13Å; W947-L969 HydrophobicContact CE3-CD1 4.44Å; W947-L969 HydrophobicContact CG-CD1 4.2Å; W947-L969 HydrophobicContact CG-CD2 3.54Å; W947-L969 HydrophobicContact CG-CG 4.49Å; W947-L969 HydrophobicContact CZ2-CD1 4.03Å; W947-Y1076 AromaticContact CH2-CD2 3.67Å; W947-Y1076 HydrophobicContact CH2-CD2 3.67Å; W947-Y1076 AromaticContact CH2-CE2 3.61Å; W947-Y1076 HydrophobicContact CH2-CE2 3.61Å; W947-Y1076 HydrophobicContact CZ2-CE2 4.31Å; W947-Y1076 HydrophobicContact CZ3-CD2 4.03Å; W947-Y1076 AromaticContact CZ3-CE2 3.97Å; W947-Y1076 HydrophobicContact CZ3-CE2 3.97Å; W947-I1079 HydrophobicContact CH2-CB 4.09Å; W947-I1079 HydrophobicContact CH2-CG2 3.79Å; W947-I1079 HydrophobicContact CZ2-CB 4.32Å; W947-I1079 HydrophobicContact CZ2-CG2 3.74Å; W947-I1079 HydrophobicContact CZ3-CG2 4.32Å; W947-M1080 HydrophobicContact CZ2-CB 4.33Å; W947-M1080 HydrophobicContact CZ2-CE 4.14Å; W947-M1080 HydrophobicContact CZ2-SD 4.42Å
948	S	81.5	Confident	87.8	Confident	58 Å²	58	39.6 Å²	39.6	41%	0.406	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	24.5	-176.7	-55.6	0	0	0	0	113.9	F944 M945 T946	F944-S948 PolarHBondContact O-N 3.44Å; M945-S948 WeakPolarHBondContact O-CA 3.35Å; M945-S948 PolarHBondContact O-N 2.88Å; T946-S948 PolarHBondContact O-N 3.47Å
949	L	81.9	Confident	86.9	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.005	23%	0.228	C	C	.	.			trans	-86.5	115	169.3	-60.5	-176	0	0	0	107.6	F707 P709 F944 W947 I956 V962 A966 L969	F707-L949 HydrophobicContact CB-CD2 3.72Å; F707-L949 HydrophobicContact CD1-CD2 4.08Å; F707-L949 HydrophobicContact CG-CD2 3.98Å; P709-L949 HydrophobicContact CG-CD1 4.23Å; P709-L949 HydrophobicContact CG-CG 4.47Å; F944-L949 HydrophobicContact CB-CB 4.22Å; F944-L949 HydrophobicContact CD1-CD1 4.1Å; F944-L949 PolarHBondContact O-N 3.13Å; W947-L949 HydrophobicContact CB-CG 4.29Å; W947-L949 PolarHBondContact O-N 2.68Å; W947-L949 VanDerWaalsContact O-N 3.08Å; L949-I956 HydrophobicContact CB-CD1 3.71Å; L949-V962 HydrophobicContact CB-CG2 4.48Å; L949-V962 HydrophobicContact CD2-CB 4.14Å; L949-V962 HydrophobicContact CD2-CG1 4.17Å; L949-A966 HydrophobicContact CD1-CB 4.19Å; L949-L969 HydrophobicContact CD1-CD2 3.8Å
950	A	75.4	Confident	85.8	Confident	78 Å²	78	42.8 Å²	42.8	65%	0.645	23%	0.229	S	C	*	.			trans	-78.6	128.3	179.7	0	0	0	0	0	109.7
951	G	76.7	Confident	84.6	Confident	26 Å²	26	47 Å²	47	27%	0.268	26%	0.255	S	S	.	.	S	Bend	trans	150.8	160.4	178.1	0	0	0	0	0	111.6
952	K	86.3	Confident	83.9	Confident	128 Å²	128	46.7 Å²	46.7	56%	0.557	25%	0.253	S	S	*	.			trans	-99.5	131.7	173.9	-66.2	-165.5	178.3	-175.6	0	109.4	T941 R955 I956	T941-K952 HydrophobicContact CG2-CB 4.3Å; T941-K952 HydrophobicContact CG2-CG 4.19Å; K952-R955 CarbonylContact O-C 3.59Å; K952-R955 WeakPolarHBondContact O-CA 3.47Å; K952-R955 WeakPolarHBondContact O-CB 3.47Å; K952-R955 PolarHBondContact O-N 2.98Å; K952-I956 PolarHBondContact O-N 2.79Å
953	Y	88.8	Confident	83.5	Confident	69 Å²	69	45.1 Å²	45.1	27%	0.271	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	142.1	167.4	-179.3	-92.3	0	0	0	109.5	W940 T941 F944 L957 F970	W940-Y953 HydrophobicContact CB-CD1 3.65Å; W940-Y953 HydrophobicContact CB-CD2 3.58Å; W940-Y953 HydrophobicContact CB-CE1 4.09Å; W940-Y953 HydrophobicContact CB-CE2 3.99Å; W940-Y953 HydrophobicContact CB-CG 3.36Å; W940-Y953 AromaticContact CD1-CD1 3.95Å; W940-Y953 AromaticContact CD1-CE1 3.53Å; W940-Y953 AromaticContact CD1-CZ 3.6Å; W940-Y953 HydrophobicContact CG-CD1 4.16Å; W940-Y953 HydrophobicContact CG-CD2 4.17Å; W940-Y953 HydrophobicContact CG-CE1 4.1Å; W940-Y953 HydrophobicContact CG-CE2 4.07Å; W940-Y953 HydrophobicContact CG-CG 4.18Å; T941-Y953 PolarHBondContact OG1-N 2.78Å; F944-Y953 HydrophobicContact CD2-CD2 4.48Å; F944-Y953 AromaticContact CE2-CD2 3.55Å; F944-Y953 HydrophobicContact CE2-CD2 3.55Å; F944-Y953 HydrophobicContact CE2-CE2 4.41Å; F944-Y953 HydrophobicContact CE2-CG 4.23Å; F944-Y953 HydrophobicContact CZ-CD2 4.28Å; Y953-L957 HydrophobicContact CD2-CD1 4.21Å; Y953-L957 HydrophobicContact CD2-CG 4.2Å; Y953-L957 HydrophobicContact CE2-CD1 3.71Å; Y953-L957 HydrophobicContact CE2-CG 4.2Å; Y953-F970 HydrophobicContact CE2-CD2 4.29Å; Y953-F970 AromaticContact CE2-CE2 3.77Å; Y953-F970 HydrophobicContact CE2-CE2 3.77Å; Y953-F970 AromaticContact CE2-CZ 3.92Å; Y953-F970 HydrophobicContact CE2-CZ 3.92Å; Y953-F970 WeakPolarHBondContact OH-CZ 3.25Å
954	P	89.1	Confident	82.9	Confident	31 Å²	31	47.8 Å²	47.8	20%	0.201	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	cis	-85.8	-12.2	2.9	31.7	-28.6	0	0	0	114.7	V139 I956 L957	V139-P954 HydrophobicContact CB-CB 3.53Å; V139-P954 HydrophobicContact CB-CG 3.82Å; V139-P954 HydrophobicContact CG1-CB 3.61Å; V139-P954 HydrophobicContact CG1-CG 4.44Å; V139-P954 HydrophobicContact CG2-CB 3.44Å; V139-P954 VanDerWaalsContact CG2-CB 3.44Å; V139-P954 HydrophobicContact CG2-CG 3.39Å; P954-I956 PolarHBondContact O-N 3.32Å; P954-L957 WeakPolarHBondContact O-CB 3.34Å; P954-L957 PolarHBondContact O-N 2.81Å
955	R	87.6	Confident	82.3	Confident	140 Å²	140	48.5 Å²	48.5	53%	0.528	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-51.7	-31.1	-178.5	-60.9	-174.6	-65.3	173	2.8	115.2	K952 L957 E958 D959	K952-R955 CarbonylContact O-C 3.59Å; K952-R955 WeakPolarHBondContact O-CA 3.47Å; K952-R955 WeakPolarHBondContact O-CB 3.47Å; K952-R955 PolarHBondContact O-N 2.98Å; R955-L957 PolarHBondContact O-N 3.25Å; R955-E958 CarbonylContact O-C 3.57Å; R955-E958 PolarHBondContact O-N 3.24Å; R955-D959 PolarHBondContact O-N 2.94Å
956	I	86.9	Confident	82.4	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.005	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-61.7	-26.4	178.3	-163.1	178.9	0	0	0	113.3	F944 L949 K952 P954 E958 D959 V962 G963 A966	F944-I956 HydrophobicContact CB-CD1 3.44Å; F944-I956 VanDerWaalsContact CB-CD1 3.44Å; F944-I956 HydrophobicContact CB-CG2 4.48Å; F944-I956 HydrophobicContact CD1-CD1 4.14Å; F944-I956 HydrophobicContact CD1-CG2 4.25Å; F944-I956 HydrophobicContact CD2-CD1 4.32Å; F944-I956 HydrophobicContact CD2-CG2 3.41Å; F944-I956 VanDerWaalsContact CD2-CG2 3.41Å; F944-I956 HydrophobicContact CE1-CG2 4.4Å; F944-I956 HydrophobicContact CE2-CG2 3.62Å; F944-I956 HydrophobicContact CG-CD1 3.71Å; F944-I956 HydrophobicContact CG-CG2 3.78Å; F944-I956 HydrophobicContact CZ-CG2 4.12Å; L949-I956 HydrophobicContact CB-CD1 3.71Å; K952-I956 PolarHBondContact O-N 2.79Å; P954-I956 PolarHBondContact O-N 3.32Å; I956-E958 PolarHBondContact O-N 3.43Å; I956-D959 HydrophobicContact CG1-CB 4.44Å; I956-D959 WeakPolarHBondContact O-CB 3.4Å; I956-D959 PolarHBondContact O-N 3.26Å; I956-V962 HydrophobicContact CD1-CG2 4.13Å; I956-V962 HydrophobicContact CG1-CG2 3.66Å; I956-G963 WeakPolarHBondContact O-CA 3.21Å; I956-A966 HydrophobicContact CG1-CB 4.21Å; I956-A966 WeakPolarHBondContact O-CB 3.49Å
957	L	88.7	Confident	82.7	Confident	16 Å²	16	46.7 Å²	46.7	8%	0.084	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-67.5	-17.7	174.8	-61.9	-174.8	0	0	0	112.6	V139 F944 Y953 P954 R955 A966 Q967 F970	V139-L957 HydrophobicContact CG1-CB 4.15Å; V139-L957 HydrophobicContact CG1-CD1 4.04Å; F944-L957 HydrophobicContact CE1-CD2 4.14Å; F944-L957 HydrophobicContact CE2-CD2 4.4Å; F944-L957 HydrophobicContact CZ-CD2 3.61Å; Y953-L957 HydrophobicContact CD2-CD1 4.21Å; Y953-L957 HydrophobicContact CD2-CG 4.2Å; Y953-L957 HydrophobicContact CE2-CD1 3.71Å; Y953-L957 HydrophobicContact CE2-CG 4.2Å; P954-L957 WeakPolarHBondContact O-CB 3.34Å; P954-L957 PolarHBondContact O-N 2.81Å; R955-L957 PolarHBondContact O-N 3.25Å; L957-A966 HydrophobicContact CD2-CB 4.08Å; L957-Q967 HydrophobicContact CB-CG 4.17Å; L957-Q967 HydrophobicContact CD2-CG 4.41Å; L957-Q967 VanDerWaalsContact O-CG 3.31Å; L957-Q967 WeakPolarHBondContact O-CG 3.39Å; L957-Q967 PolarHBondContact O-NE2 2.83Å; L957-F970 HydrophobicContact CD1-CD1 3.98Å; L957-F970 HydrophobicContact CD1-CE1 4.18Å; L957-F970 HydrophobicContact CD1-CG 4.39Å; L957-F970 HydrophobicContact CD2-CB 3.78Å; L957-F970 HydrophobicContact CD2-CD1 4.33Å; L957-F970 HydrophobicContact CD2-CG 4.06Å
958	E	80.1	Confident	82.8	Confident	33 Å²	33	53 Å²	53	15%	0.154	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-113	8.1	178.8	-53.9	-178.7	152.8	0	0	111.1	V139 R955 I956 E960	V139-E958 WeakPolarHBondContact CA-OE1 3.15Å; V139-E958 HydrophobicContact CG1-CG 4.29Å; R955-E958 CarbonylContact O-C 3.57Å; R955-E958 PolarHBondContact O-N 3.24Å; I956-E958 PolarHBondContact O-N 3.43Å; E958-E960 PolarHBondContact O-N 2.85Å
959	D	78.7	Confident	83.3	Confident	59 Å²	59	50.3 Å²	50.3	32%	0.316	26%	0.256	S	S	.	.			trans	-63.7	138.2	-179.2	-176.1	-88.2	0	0	0	110.5	R955 I956 V961 V962 G963	R955-D959 PolarHBondContact O-N 2.94Å; I956-D959 HydrophobicContact CG1-CB 4.44Å; I956-D959 WeakPolarHBondContact O-CB 3.4Å; I956-D959 PolarHBondContact O-N 3.26Å; D959-V961 VanDerWaalsContact C-N 3.28Å; D959-V961 PolarHBondContact O-N 3.49Å; D959-V961 WeakPolarHBondContact OD1-CA 3.27Å; D959-V961 PolarHBondContact OD1-N 3.21Å; D959-V962 HydrophobicContact CB-CG2 3.61Å; D959-V962 WeakPolarHBondContact OD1-CG2 3.5Å; D959-V962 PolarHBondContact OD1-N 3.34Å; D959-G963 WeakPolarHBondContact O-CA 3.16Å; D959-G963 PolarHBondContact O-N 3.35Å
960	E	72.3	Confident	83.9	Confident	52 Å²	52	52.2 Å²	52.2	24%	0.243	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-34.7	-172.8	-64.8	-156.7	159.9	0	0	113.5	G218 L338 P417 E958	G218-E960 WeakPolarHBondContact CA-OE2 3.48Å; L338-E960 WeakPolarHBondContact CD1-OE1 3.48Å; L338-E960 WeakPolarHBondContact CD1-OE2 3.38Å; P417-E960 HydrophobicContact CB-CB 3.88Å; P417-E960 HydrophobicContact CB-CG 4.25Å; P417-E960 HydrophobicContact CG-CB 3.13Å; P417-E960 HydrophobicContact CG-CG 3.41Å; P417-E960 VanDerWaalsContact CG-CG 3.41Å; P417-E960 WeakPolarHBondContact CG-O 3.41Å; E958-E960 PolarHBondContact O-N 2.85Å
961	V	72.1	Confident	84.9	Confident	98 Å²	98	54.6 Å²	54.6	59%	0.594	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-40.2	-174.2	176.6	0	0	0	0	110	F707 D959	F707-V961 HydrophobicContact CE1-CG1 4.07Å; F707-V961 VanDerWaalsContact CE2-O 3.28Å; F707-V961 WeakPolarHBondContact CE2-O 3.23Å; F707-V961 HydrophobicContact CZ-CG1 3.64Å; F707-V961 WeakPolarHBondContact CZ-O 3.31Å; D959-V961 VanDerWaalsContact C-N 3.28Å; D959-V961 PolarHBondContact O-N 3.49Å; D959-V961 WeakPolarHBondContact OD1-CA 3.27Å; D959-V961 PolarHBondContact OD1-N 3.21Å
962	V	78.2	Confident	85.8	Confident	11 Å²	11	55.4 Å²	55.4	7%	0.067	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	-7.4	-173.8	-53.7	0	0	0	0	115.2	F707 L949 I956 D959 V964 E965 A966	F707-V962 HydrophobicContact CD1-CG1 3.85Å; F707-V962 HydrophobicContact CE1-CG1 3.48Å; F707-V962 VanDerWaalsContact CE1-CG1 3.48Å; F707-V962 HydrophobicContact CE2-CG1 4.47Å; F707-V962 HydrophobicContact CZ-CG1 3.83Å; L949-V962 HydrophobicContact CB-CG2 4.48Å; L949-V962 HydrophobicContact CD2-CB 4.14Å; L949-V962 HydrophobicContact CD2-CG1 4.17Å; I956-V962 HydrophobicContact CD1-CG2 4.13Å; I956-V962 HydrophobicContact CG1-CG2 3.66Å; D959-V962 HydrophobicContact CB-CG2 3.61Å; D959-V962 WeakPolarHBondContact OD1-CG2 3.5Å; D959-V962 PolarHBondContact OD1-N 3.34Å; V962-V964 PolarHBondContact O-N 2.82Å; V962-E965 CarbonylContact O-C 3.43Å; V962-E965 PolarHBondContact O-N 3.42Å; V962-E965 VanDerWaalsContact O-N 3.14Å; V962-A966 WeakPolarHBondContact O-CB 3.27Å; V962-A966 PolarHBondContact O-N 2.84Å
963	G	83.2	Confident	86.3	Confident	2 Å²	2	49.3 Å²	49.3	2%	0.021	23%	0.232	C	C	.	.	H	α-helix	trans	-59.9	-46	-166.8	0	0	0	0	0	114.9	I956 D959 E965 A966 Q967	I956-G963 WeakPolarHBondContact O-CA 3.21Å; D959-G963 WeakPolarHBondContact O-CA 3.16Å; D959-G963 PolarHBondContact O-N 3.35Å; G963-E965 VanDerWaalsContact C-N 3.3Å; G963-E965 PolarHBondContact O-N 2.87Å; G963-A966 CarbonylContact O-C 3.31Å; G963-A966 WeakPolarHBondContact O-CB 3.35Å; G963-A966 PolarHBondContact O-N 3.01Å; G963-Q967 WeakPolarHBondContact O-CG 3.38Å; G963-Q967 PolarHBondContact O-N 3.45Å
964	V	82	Confident	86.7	Confident	55 Å²	55	47.1 Å²	47.1	33%	0.333	23%	0.225	S	C	.	.	H	α-helix	trans	-58.7	-43.5	176.7	174.2	0	0	0	0	111.3	V962 Q967 R968	V962-V964 PolarHBondContact O-N 2.82Å; V964-Q967 PolarHBondContact O-N 3.49Å; V964-R968 WeakPolarHBondContact O-CG 3.23Å; V964-R968 PolarHBondContact O-N 2.91Å
965	E	81.8	Confident	87.1	Confident	16 Å²	16	49.5 Å²	49.5	8%	0.075	24%	0.236	C	C	.	.	H	α-helix	trans	-73.9	-33.5	178.5	-68.8	-58.3	139.5	0	0	111.9	F707 Q710 V962 G963 R968 L969	F707-E965 HydrophobicContact CD2-CB 4.24Å; F707-E965 HydrophobicContact CD2-CG 3.89Å; Q710-E965 VanDerWaalsContact CD-CD 3.43Å; Q710-E965 HydrophobicContact CG-CG 4.22Å; Q710-E965 WeakPolarHBondContact CG-OE2 3.14Å; Q710-E965 PolarHBondContact NE2-OE1 3.28Å; V962-E965 CarbonylContact O-C 3.43Å; V962-E965 PolarHBondContact O-N 3.42Å; V962-E965 VanDerWaalsContact O-N 3.14Å; G963-E965 VanDerWaalsContact C-N 3.3Å; G963-E965 PolarHBondContact O-N 2.87Å; E965-R968 PolarHBondContact O-N 3.36Å; E965-R968 IonicContact OE1-CZ 2.66Å; E965-R968 IonicContact OE1-NH1 3.99Å; E965-R968 PolarHBondContact OE1-NH1 2.76Å; E965-L969 WeakPolarHBondContact O-CB 3.3Å; E965-L969 PolarHBondContact O-N 2.82Å
966	A	88.2	Confident	87.5	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-63.8	-42.4	171.8	0	0	0	0	0	111.4	F944 L949 I956 L957 V962 G963 L969 F970	F944-A966 HydrophobicContact CD1-CB 4.13Å; F944-A966 HydrophobicContact CE1-CB 3.87Å; F944-A966 WeakPolarHBondContact CE1-O 3.37Å; L949-A966 HydrophobicContact CD1-CB 4.19Å; I956-A966 HydrophobicContact CG1-CB 4.21Å; I956-A966 WeakPolarHBondContact O-CB 3.49Å; L957-A966 HydrophobicContact CD2-CB 4.08Å; V962-A966 WeakPolarHBondContact O-CB 3.27Å; V962-A966 PolarHBondContact O-N 2.84Å; G963-A966 CarbonylContact O-C 3.31Å; G963-A966 WeakPolarHBondContact O-CB 3.35Å; G963-A966 PolarHBondContact O-N 3.01Å; A966-L969 PolarHBondContact O-N 3.08Å; A966-F970 WeakPolarHBondContact O-CB 3.49Å; A966-F970 PolarHBondContact O-N 2.72Å
967	Q	92.1	Very high	88	Confident	106 Å²	106	43.7 Å²	43.7	50%	0.495	22%	0.215	S	C	.	.	H	α-helix	trans	-63.3	-45.1	175.1	-72.5	176.4	7.9	0	0	112.2	L957 G963 V964 F970 K971	L957-Q967 HydrophobicContact CB-CG 4.17Å; L957-Q967 HydrophobicContact CD2-CG 4.41Å; L957-Q967 VanDerWaalsContact O-CG 3.31Å; L957-Q967 WeakPolarHBondContact O-CG 3.39Å; L957-Q967 PolarHBondContact O-NE2 2.83Å; G963-Q967 WeakPolarHBondContact O-CG 3.38Å; G963-Q967 PolarHBondContact O-N 3.45Å; V964-Q967 PolarHBondContact O-N 3.49Å; Q967-F970 PolarHBondContact O-N 3.12Å; Q967-K971 WeakPolarHBondContact O-CB 3.43Å; Q967-K971 PolarHBondContact O-N 2.87Å
968	R	87.4	Confident	88.4	Confident	134 Å²	134	46.7 Å²	46.7	51%	0.506	23%	0.231	S	C	.	.	H	α-helix	trans	-60.9	-48.4	175.4	-74.1	172.9	177.6	176.8	-1.4	111.2	V964 E965 F970 K971 D972	V964-R968 WeakPolarHBondContact O-CG 3.23Å; V964-R968 PolarHBondContact O-N 2.91Å; E965-R968 PolarHBondContact O-N 3.36Å; E965-R968 IonicContact OE1-CZ 2.66Å; E965-R968 IonicContact OE1-NH1 3.99Å; E965-R968 PolarHBondContact OE1-NH1 2.76Å; R968-F970 VanDerWaalsContact C-N 3.32Å; R968-F970 PolarHBondContact O-N 3.16Å; R968-K971 PolarHBondContact O-N 3.45Å; R968-D972 VanDerWaalsContact O-CG 3.28Å; R968-D972 PolarHBondContact O-N 3.29Å
969	L	91	Very high	89.2	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-61.7	-41.4	178	-178.7	69.7	0	0	0	111.7	P709 F943 F944 W947 L949 E965 A966 D972 A973 Y1076 M1080	P709-L969 HydrophobicContact CB-CD1 4.24Å; P709-L969 HydrophobicContact CG-CD1 4.23Å; P709-L969 HydrophobicContact CG-CD2 4.04Å; F943-L969 HydrophobicContact CE1-CD2 3.87Å; F943-L969 HydrophobicContact CE1-CG 3.8Å; F943-L969 HydrophobicContact CZ-CD1 4.3Å; F943-L969 HydrophobicContact CZ-CD2 4.26Å; F943-L969 HydrophobicContact CZ-CG 3.95Å; F944-L969 HydrophobicContact CD1-CD2 3.99Å; F944-L969 HydrophobicContact CE1-CD2 4.24Å; W947-L969 HydrophobicContact CB-CD2 3.8Å; W947-L969 HydrophobicContact CD2-CD1 3.91Å; W947-L969 HydrophobicContact CD2-CD2 4.13Å; W947-L969 HydrophobicContact CE3-CD1 4.44Å; W947-L969 HydrophobicContact CG-CD1 4.2Å; W947-L969 HydrophobicContact CG-CD2 3.54Å; W947-L969 HydrophobicContact CG-CG 4.49Å; W947-L969 HydrophobicContact CZ2-CD1 4.03Å; L949-L969 HydrophobicContact CD1-CD2 3.8Å; E965-L969 WeakPolarHBondContact O-CB 3.3Å; E965-L969 PolarHBondContact O-N 2.82Å; A966-L969 PolarHBondContact O-N 3.08Å; L969-D972 PolarHBondContact O-N 3.27Å; L969-A973 VanDerWaalsContact O-CB 3.31Å; L969-A973 WeakPolarHBondContact O-CB 3.42Å; L969-A973 PolarHBondContact O-N 3.4Å; L969-Y1076 HydrophobicContact CD1-CE2 4.32Å; L969-Y1076 WeakPolarHBondContact CD1-OH 3.36Å; L969-M1080 HydrophobicContact CD1-CE 3.55Å
970	F	96.5	Very high	90	Very high	41 Å²	41	47.9 Å²	47.9	18%	0.18	23%	0.233	C	C	.	.	H	α-helix	trans	-64.8	-42.2	176.7	-175.3	-117.8	0	0	0	111.7	W940 F944 Y953 L957 A966 Q967 R968 A973 N974	W940-F970 HydrophobicContact CD2-CD2 4.17Å; W940-F970 AromaticContact CD2-CE2 3.64Å; W940-F970 HydrophobicContact CD2-CE2 3.64Å; W940-F970 AromaticContact CE2-CE2 3.59Å; W940-F970 HydrophobicContact CE3-CD2 4.04Å; W940-F970 AromaticContact CE3-CE2 3.96Å; W940-F970 HydrophobicContact CE3-CE2 3.96Å; W940-F970 HydrophobicContact CG-CE2 4.1Å; W940-F970 HydrophobicContact CH2-CD2 4.49Å; W940-F970 HydrophobicContact CH2-CE2 4.15Å; W940-F970 AromaticContact CZ2-CE2 3.86Å; W940-F970 HydrophobicContact CZ2-CE2 3.86Å; W940-F970 HydrophobicContact CZ3-CD2 4.21Å; W940-F970 HydrophobicContact CZ3-CE2 4.2Å; W940-F970 AromaticContact NE1-CE2 3.99Å; F944-F970 HydrophobicContact CE1-CB 4.35Å; F944-F970 HydrophobicContact CZ-CB 4.01Å; F944-F970 HydrophobicContact CZ-CD2 4.06Å; F944-F970 HydrophobicContact CZ-CG 4.36Å; Y953-F970 HydrophobicContact CE2-CD2 4.29Å; Y953-F970 AromaticContact CE2-CE2 3.77Å; Y953-F970 HydrophobicContact CE2-CE2 3.77Å; Y953-F970 AromaticContact CE2-CZ 3.92Å; Y953-F970 HydrophobicContact CE2-CZ 3.92Å; Y953-F970 WeakPolarHBondContact OH-CZ 3.25Å; L957-F970 HydrophobicContact CD1-CD1 3.98Å; L957-F970 HydrophobicContact CD1-CE1 4.18Å; L957-F970 HydrophobicContact CD1-CG 4.39Å; L957-F970 HydrophobicContact CD2-CB 3.78Å; L957-F970 HydrophobicContact CD2-CD1 4.33Å; L957-F970 HydrophobicContact CD2-CG 4.06Å; A966-F970 WeakPolarHBondContact O-CB 3.49Å; A966-F970 PolarHBondContact O-N 2.72Å; Q967-F970 PolarHBondContact O-N 3.12Å; R968-F970 VanDerWaalsContact C-N 3.32Å; R968-F970 PolarHBondContact O-N 3.16Å; F970-A973 WeakPolarHBondContact O-CB 3.42Å; F970-A973 PolarHBondContact O-N 3.12Å; F970-N974 WeakPolarHBondContact CD1-ND2 3.5Å; F970-N974 WeakPolarHBondContact CD2-ND2 3.19Å; F970-N974 WeakPolarHBondContact CE1-ND2 3.23Å; F970-N974 VanDerWaalsContact CE2-ND2 3.29Å; F970-N974 WeakPolarHBondContact CE2-ND2 3.39Å; F970-N974 WeakPolarHBondContact CG-ND2 3.16Å; F970-N974 WeakPolarHBondContact CZ-ND2 3.14Å; F970-N974 WeakPolarHBondContact O-CB 3.25Å; F970-N974 PolarHBondContact O-N 3.49Å; F970-N974 PolarHBondContact O-ND2 2.97Å
971	K	96.2	Very high	91.1	Very high	128 Å²	128	46.6 Å²	46.6	56%	0.557	23%	0.23	S	C	*	.	H	α-helix	trans	-60.2	-50.7	173.6	-176.5	-173.3	172	-168.6	0	111	Q967 R968 A973 N974 D975	Q967-K971 WeakPolarHBondContact O-CB 3.43Å; Q967-K971 PolarHBondContact O-N 2.87Å; R968-K971 PolarHBondContact O-N 3.45Å; K971-A973 PolarHBondContact O-N 2.79Å; K971-N974 PolarHBondContact O-N 3.19Å; K971-D975 PolarHBondContact O-N 3.45Å
972	D	94.1	Very high	92.2	Very high	43 Å²	43	46 Å²	46	23%	0.23	24%	0.235	C	C	.	.	H	α-helix	trans	-58.2	-39.2	179.1	-68	-15	0	0	0	111.4	K713 R968 L969 M976 Y1076 M1080	K713-D972 IonicContact NZ-OD2 2.66Å; K713-D972 PolarHBondContact NZ-OD2 3.3Å; R968-D972 VanDerWaalsContact O-CG 3.28Å; R968-D972 PolarHBondContact O-N 3.29Å; L969-D972 PolarHBondContact O-N 3.27Å; D972-M976 WeakPolarHBondContact O-CB 3.4Å; D972-M976 PolarHBondContact O-N 2.86Å; D972-Y1076 HydrophobicContact CB-CE1 4.4Å; D972-Y1076 WeakPolarHBondContact CB-OH 3.4Å; D972-Y1076 PolarHBondContact OD2-OH 3.09Å; D972-M1080 HydrophobicContact CB-CE 4.01Å
973	A	96.8	Very high	92.9	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-63.7	-44.5	174.9	0	0	0	0	0	112.4	W940 F943 L969 F970 K971 M976 L977 M1080 L1084	W940-A973 HydrophobicContact CH2-CB 4.35Å; W940-A973 HydrophobicContact CZ3-CB 4.02Å; F943-A973 HydrophobicContact CE1-CB 4.04Å; F943-A973 HydrophobicContact CE2-CB 4.16Å; F943-A973 HydrophobicContact CZ-CB 3.53Å; L969-A973 VanDerWaalsContact O-CB 3.31Å; L969-A973 WeakPolarHBondContact O-CB 3.42Å; L969-A973 PolarHBondContact O-N 3.4Å; F970-A973 WeakPolarHBondContact O-CB 3.42Å; F970-A973 PolarHBondContact O-N 3.12Å; K971-A973 PolarHBondContact O-N 2.79Å; A973-M976 PolarHBondContact O-N 3.39Å; A973-L977 WeakPolarHBondContact O-CG 3.27Å; A973-L977 PolarHBondContact O-N 3.5Å; A973-M1080 HydrophobicContact CB-CE 4.36Å; A973-M1080 HydrophobicContact CB-SD 3.89Å; A973-L1084 HydrophobicContact CB-CD2 4.08Å
974	N	97.5	Very high	93.3	Very high	23 Å²	23	58 Å²	58	12%	0.123	29%	0.288	C	S	.	.	H	α-helix	trans	-67.5	-42.4	178.1	-80.2	-66.5	0	0	0	112.1	R935 F970 K971 M976 L977 D978	R935-N974 VanDerWaalsContact CZ-OD1 3.26Å; R935-N974 PolarHBondContact NE-OD1 3.19Å; R935-N974 VanDerWaalsContact NE-OD1 3.09Å; R935-N974 VanDerWaalsContact NH2-CG 3.28Å; R935-N974 PolarHBondContact NH2-O 3.33Å; R935-N974 PolarHBondContact NH2-OD1 2.93Å; F970-N974 WeakPolarHBondContact CD1-ND2 3.5Å; F970-N974 WeakPolarHBondContact CD2-ND2 3.19Å; F970-N974 WeakPolarHBondContact CE1-ND2 3.23Å; F970-N974 VanDerWaalsContact CE2-ND2 3.29Å; F970-N974 WeakPolarHBondContact CE2-ND2 3.39Å; F970-N974 WeakPolarHBondContact CG-ND2 3.16Å; F970-N974 WeakPolarHBondContact CZ-ND2 3.14Å; F970-N974 WeakPolarHBondContact O-CB 3.25Å; F970-N974 PolarHBondContact O-N 3.49Å; F970-N974 PolarHBondContact O-ND2 2.97Å; K971-N974 PolarHBondContact O-N 3.19Å; N974-M976 VanDerWaalsContact C-N 3.3Å; N974-M976 PolarHBondContact O-N 3.24Å; N974-L977 PolarHBondContact O-N 3.02Å; N974-D978 VanDerWaalsContact O-CG 3.27Å; N974-D978 PolarHBondContact O-N 2.88Å
975	D	96.9	Very high	94	Very high	81 Å²	81	57.6 Å²	57.6	43%	0.433	29%	0.285	S	S	.	.	H	α-helix	trans	-61.8	-39.7	175.3	-70.8	-12.5	0	0	0	110.7	K971 D978 K979	K971-D975 PolarHBondContact O-N 3.45Å; D975-D978 PolarHBondContact O-N 3.24Å; D975-K979 PolarHBondContact O-N 3.49Å
976	M	96.8	Very high	94.6	Very high	18 Å²	18	57 Å²	57	9%	0.089	28%	0.282	C	S	.	.	H	α-helix	trans	-67.5	-43	174.4	-176.2	170.1	-67.2	0	0	112.2	D972 A973 N974 D978 K979 L980 F1069 N1077 M1080 V1081 L1084	D972-M976 WeakPolarHBondContact O-CB 3.4Å; D972-M976 PolarHBondContact O-N 2.86Å; A973-M976 PolarHBondContact O-N 3.39Å; N974-M976 VanDerWaalsContact C-N 3.3Å; N974-M976 PolarHBondContact O-N 3.24Å; M976-D978 VanDerWaalsContact C-N 3.31Å; M976-D978 PolarHBondContact O-N 3.14Å; M976-K979 PolarHBondContact O-N 2.9Å; M976-L980 HydrophobicContact CG-CD1 3.92Å; M976-L980 HydrophobicContact CG-CG 4.14Å; M976-L980 WeakPolarHBondContact O-CB 3.48Å; M976-L980 VanDerWaalsContact O-CG 3.25Å; M976-L980 WeakPolarHBondContact O-CG 3.28Å; M976-L980 PolarHBondContact O-N 2.91Å; M976-F1069 HydrophobicContact CE-CE2 4.44Å; M976-F1069 HydrophobicContact CE-CZ 4.21Å; M976-N1077 HydrophobicContact CE-CB 3.8Å; M976-N1077 WeakPolarHBondContact CE-OD1 3.35Å; M976-M1080 HydrophobicContact CE-CB 3.98Å; M976-M1080 HydrophobicContact CE-CG 3.73Å; M976-M1080 HydrophobicContact SD-CB 4Å; M976-M1080 HydrophobicContact SD-CG 3.47Å; M976-M1080 WeakPolarHBondContact SD-CG 3.49Å; M976-V1081 HydrophobicContact SD-CB 4.06Å; M976-L1084 HydrophobicContact CB-CD1 3.83Å; M976-L1084 HydrophobicContact CG-CD1 3.77Å; M976-L1084 HydrophobicContact SD-CD1 3.82Å
977	L	97.6	Very high	95	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-59.2	-42.4	174.6	-75.5	175.6	0	0	0	111.9	I931 R935 I938 W940 A973 N974 K979 L980 S981 L1084 L1088	I931-L977 HydrophobicContact CG2-CB 4.36Å; I931-L977 HydrophobicContact CG2-CD2 3.89Å; R935-L977 HydrophobicContact CG-CD1 4.32Å; I938-L977 HydrophobicContact CD1-CD1 4.27Å; W940-L977 HydrophobicContact CH2-CD1 3.71Å; W940-L977 HydrophobicContact CZ2-CD1 4.11Å; A973-L977 WeakPolarHBondContact O-CG 3.27Å; A973-L977 PolarHBondContact O-N 3.5Å; N974-L977 PolarHBondContact O-N 3.02Å; L977-K979 VanDerWaalsContact C-N 3.34Å; L977-K979 PolarHBondContact O-N 3.26Å; L977-L980 PolarHBondContact O-N 3.4Å; L977-S981 VanDerWaalsContact O-CB 3.29Å; L977-S981 WeakPolarHBondContact O-CB 3.42Å; L977-S981 PolarHBondContact O-N 2.82Å; L977-L1084 HydrophobicContact CD1-CD2 4.07Å; L977-L1084 HydrophobicContact CD2-CB 4.41Å; L977-L1084 HydrophobicContact CD2-CD1 4.22Å; L977-L1084 HydrophobicContact CD2-CD2 4.01Å; L977-L1084 HydrophobicContact CD2-CG 4.46Å; L977-L1084 HydrophobicContact CG-CD1 4.1Å; L977-L1084 HydrophobicContact CG-CD2 3.87Å; L977-L1088 HydrophobicContact CD2-CD1 4.11Å; L977-L1088 HydrophobicContact CD2-CD2 4.38Å; L977-L1088 HydrophobicContact CD2-CG 4.42Å
978	D	97.2	Very high	95.2	Very high	78 Å²	78	55.2 Å²	55.2	42%	0.417	28%	0.277	S	S	.	.	H	α-helix	trans	-61.3	-44.4	177.2	-70.5	-19.2	0	0	0	111	R935 N974 D975 M976 A982	R935-D978 IonicContact CZ-OD1 3.36Å; R935-D978 IonicContact NH1-OD1 2.72Å; R935-D978 PolarHBondContact NH1-OD1 2.84Å; R935-D978 IonicContact NH2-OD1 3.68Å; R935-D978 PolarHBondContact NH2-OD1 3.23Å; R935-D978 IonicContact NH2-OD2 3.63Å; N974-D978 VanDerWaalsContact O-CG 3.27Å; N974-D978 PolarHBondContact O-N 2.88Å; D975-D978 PolarHBondContact O-N 3.24Å; M976-D978 VanDerWaalsContact C-N 3.31Å; M976-D978 PolarHBondContact O-N 3.14Å; D978-A982 VanDerWaalsContact O-CB 3.25Å; D978-A982 WeakPolarHBondContact O-CB 3.23Å; D978-A982 PolarHBondContact O-N 2.75Å
979	K	96.7	Very high	95.7	Very high	109 Å²	109	53 Å²	53	47%	0.474	27%	0.268	S	S	.	.	H	α-helix	trans	-62.4	-50.4	175.3	-175.2	-177	177.1	-175.6	0	112.3	D975 M976 L977 S981 A982 E983	D975-K979 PolarHBondContact O-N 3.49Å; M976-K979 PolarHBondContact O-N 2.9Å; L977-K979 VanDerWaalsContact C-N 3.34Å; L977-K979 PolarHBondContact O-N 3.26Å; K979-S981 VanDerWaalsContact C-N 3.27Å; K979-S981 PolarHBondContact O-N 2.95Å; K979-A982 PolarHBondContact O-N 3.49Å; K979-E983 VanDerWaalsContact CE-CD 3.5Å; K979-E983 WeakPolarHBondContact CE-OE1 3.22Å; K979-E983 VanDerWaalsContact CE-OE2 3.24Å; K979-E983 WeakPolarHBondContact CE-OE2 3.33Å; K979-E983 HydrophobicContact CG-CG 4.31Å; K979-E983 WeakPolarHBondContact CG-OE1 3.36Å; K979-E983 WeakPolarHBondContact O-CB 3.44Å; K979-E983 WeakPolarHBondContact O-CG 3.49Å; K979-E983 PolarHBondContact O-N 2.68Å
980	L	96.6	Very high	96	Very high	8 Å²	8	53.1 Å²	53.1	4%	0.042	27%	0.27	C	S	.	.	H	α-helix	trans	-60	-39.4	-179.3	-69.5	173.4	0	0	0	111.5	I931 M976 L977 K984 T985 L986 L1065 V1081	I931-L980 HydrophobicContact CD1-CB 3.94Å; M976-L980 HydrophobicContact CG-CD1 3.92Å; M976-L980 HydrophobicContact CG-CG 4.14Å; M976-L980 WeakPolarHBondContact O-CB 3.48Å; M976-L980 VanDerWaalsContact O-CG 3.25Å; M976-L980 WeakPolarHBondContact O-CG 3.28Å; M976-L980 PolarHBondContact O-N 2.91Å; L977-L980 PolarHBondContact O-N 3.4Å; L980-K984 WeakPolarHBondContact O-CA 3.44Å; L980-K984 PolarHBondContact O-N 2.83Å; L980-T985 WeakPolarHBondContact CD2-OG1 3.31Å; L980-T985 PolarHBondContact O-N 2.85Å; L980-L986 HydrophobicContact CB-CB 4.37Å; L980-L986 HydrophobicContact CD1-CB 4.37Å; L980-L986 HydrophobicContact CD1-CD2 4.06Å; L980-L986 HydrophobicContact CD2-CB 4.16Å; L980-L1065 HydrophobicContact CD2-CD1 3.98Å; L980-V1081 HydrophobicContact CD1-CG2 4.36Å
981	S	94.5	Very high	96.1	Very high	25 Å²	25	51.1 Å²	51.1	18%	0.175	26%	0.261	C	S	.	.	H	α-helix	trans	-67.8	-49.7	176.4	-171.6	0	0	0	0	111.9	L977 K979 E983 K984	L977-S981 VanDerWaalsContact O-CB 3.29Å; L977-S981 WeakPolarHBondContact O-CB 3.42Å; L977-S981 PolarHBondContact O-N 2.82Å; K979-S981 VanDerWaalsContact C-N 3.27Å; K979-S981 PolarHBondContact O-N 2.95Å; S981-E983 PolarHBondContact O-N 2.74Å; S981-K984 PolarHBondContact O-N 3.16Å
982	A	94.4	Very high	96.2	Very high	85 Å²	85	45 Å²	45	70%	0.702	24%	0.235	S	C	*	.	H	α-helix	trans	-63.9	-39.9	-178.2	0	0	0	0	0	112.7	D978 K979	D978-A982 VanDerWaalsContact O-CB 3.25Å; D978-A982 WeakPolarHBondContact O-CB 3.23Å; D978-A982 PolarHBondContact O-N 2.75Å; K979-A982 PolarHBondContact O-N 3.49Å
983	E	94.6	Very high	96.4	Very high	113 Å²	113	43 Å²	43	53%	0.528	22%	0.224	S	C	.	.	H	α-helix	trans	-87.3	-11.4	-179	-62.8	177.7	177.6	0	0	113.1	K979 S981 T985	K979-E983 VanDerWaalsContact CE-CD 3.5Å; K979-E983 WeakPolarHBondContact CE-OE1 3.22Å; K979-E983 VanDerWaalsContact CE-OE2 3.24Å; K979-E983 WeakPolarHBondContact CE-OE2 3.33Å; K979-E983 HydrophobicContact CG-CG 4.31Å; K979-E983 WeakPolarHBondContact CG-OE1 3.36Å; K979-E983 WeakPolarHBondContact O-CB 3.44Å; K979-E983 WeakPolarHBondContact O-CG 3.49Å; K979-E983 PolarHBondContact O-N 2.68Å; S981-E983 PolarHBondContact O-N 2.74Å; E983-T985 HydrophobicContact CB-CG2 3.8Å; E983-T985 PolarHBondContact O-N 2.88Å
984	K	91.5	Very high	96.5	Very high	154 Å²	154	43 Å²	43	67%	0.67	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.7	37.2	-174.7	-56.5	-173.9	177.7	-171.3	0	113.5	L980 S981 N987	L980-K984 WeakPolarHBondContact O-CA 3.44Å; L980-K984 PolarHBondContact O-N 2.83Å; S981-K984 PolarHBondContact O-N 3.16Å; K984-N987 PolarHBondContact O-ND2 2.86Å
985	T	94.8	Very high	96.5	Very high	46 Å²	46	42.6 Å²	42.6	28%	0.282	22%	0.221	S	C	.	.			trans	-84.8	-18.5	-177	42.2	0	0	0	0	113.1	L980 E983 E1061	L980-T985 WeakPolarHBondContact CD2-OG1 3.31Å; L980-T985 PolarHBondContact O-N 2.85Å; E983-T985 HydrophobicContact CB-CG2 3.8Å; E983-T985 PolarHBondContact O-N 2.88Å; T985-E1061 WeakPolarHBondContact O-CB 3.4Å; T985-E1061 WeakPolarHBondContact O-CG 3.12Å
986	L	96.1	Very high	96.6	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.01	20%	0.201	C	C	.	.	S	Bend	trans	-126.1	125.3	170.8	-174.2	69.7	0	0	0	109.4	I931 L980 G1058 E1061 L1065 A1085 L1088	I931-L986 HydrophobicContact CD1-CB 4.44Å; L980-L986 HydrophobicContact CB-CB 4.37Å; L980-L986 HydrophobicContact CD1-CB 4.37Å; L980-L986 HydrophobicContact CD1-CD2 4.06Å; L980-L986 HydrophobicContact CD2-CB 4.16Å; L986-G1058 WeakPolarHBondContact CG-O 3.3Å; L986-E1061 HydrophobicContact CD1-CB 4.36Å; L986-L1065 HydrophobicContact CB-CD1 4.11Å; L986-L1065 HydrophobicContact CD1-CD1 4.2Å; L986-A1085 HydrophobicContact CD2-CB 4.26Å; L986-L1088 HydrophobicContact CD2-CD1 3.77Å
987	N	95.7	Very high	96.6	Very high	58 Å²	58	38 Å²	38	31%	0.31	20%	0.197	S	C	.	.			trans	-126.4	102.3	-171.3	-62.5	-82.4	0	0	0	111.7	K984 G1059 E1061	K984-N987 PolarHBondContact O-ND2 2.86Å; N987-G1059 VanDerWaalsContact O-CA 3.3Å; N987-G1059 WeakPolarHBondContact O-CA 3.32Å; N987-E1061 PolarHBondContact N-OE2 2.79Å
988	P	97.3	Very high	96.6	Very high	12 Å²	12	38.3 Å²	38.3	8%	0.078	20%	0.198	C	C	.	.			trans	-60.8	138.2	176.3	-22.6	32.3	0	0	0	112.9	I931 L934 T1057 G1058 F1092	I931-P988 HydrophobicContact CG1-CG 4.21Å; L934-P988 HydrophobicContact CD1-CB 3.67Å; L934-P988 HydrophobicContact CD1-CG 3.68Å; P988-T1057 WeakPolarHBondContact CA-O 3.28Å; P988-G1058 WeakPolarHBondContact CA-O 3.44Å; P988-G1058 WeakPolarHBondContact CG-O 3.29Å; P988-F1092 HydrophobicContact CB-CD1 3.91Å; P988-F1092 HydrophobicContact CB-CE1 4.03Å
989	R	96.8	Very high	96.7	Very high	87 Å²	87	35.8 Å²	35.8	33%	0.328	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	141	-178.9	-57.4	174.8	-160.3	-169.5	4.1	110.8	V1056 T1057 E1061 T1154	R989-V1056 WeakPolarHBondContact O-CA 3.19Å; R989-T1057 HydrophobicContact CB-CG2 4.09Å; R989-T1057 PolarHBondContact N-O 3.18Å; R989-T1057 PolarHBondContact O-N 2.98Å; R989-E1061 IonicContact CZ-OE1 2.79Å; R989-E1061 IonicContact NH2-OE1 3.39Å; R989-E1061 PolarHBondContact NH2-OE1 2.9Å; R989-T1154 WeakPolarHBondContact CD-O 3.22Å
990	G	97.7	Very high	96.6	Very high	3 Å²	3	33.4 Å²	33.4	3%	0.031	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	155.1	-177.8	0	0	0	0	0	113.1	V927 A1055	V927-G990 PolarHBondContact N-O 3.24Å; V927-G990 PolarHBondContact O-N 3.19Å; G990-A1055 CarbonylContact C-O 3.55Å; G990-A1055 WeakPolarHBondContact CA-O 3.42Å
991	V	98.5	Very high	96.6	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	139.5	171.4	62.1	0	0	0	0	109.2	V924 F1054 A1055 L1148 V1150 H1153 T1154	V924-V991 HydrophobicContact CG1-CG2 3.5Å; V924-V991 VanDerWaalsContact CG1-CG2 3.5Å; V991-F1054 VanDerWaalsContact O-CA 3.32Å; V991-F1054 WeakPolarHBondContact O-CA 3.3Å; V991-A1055 HydrophobicContact CG1-CB 3.99Å; V991-A1055 PolarHBondContact N-O 3.48Å; V991-A1055 PolarHBondContact O-N 3.08Å; V991-L1148 HydrophobicContact CG1-CB 4.16Å; V991-L1148 HydrophobicContact CG1-CD1 4.14Å; V991-L1148 HydrophobicContact CG2-CB 4.23Å; V991-V1150 HydrophobicContact CG1-CG1 4.49Å; V991-V1150 HydrophobicContact CG1-CG2 4.09Å; V991-H1153 HydrophobicContact CB-CB 4.17Å; V991-H1153 HydrophobicContact CG2-CB 4.05Å; V991-T1154 HydrophobicContact CB-CG2 3.97Å; V991-T1154 HydrophobicContact CG1-CG2 3.78Å
992	V	98.3	Very high	96.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	146.7	177.2	67.8	0	0	0	0	110.2	V924 Q925 V927 A1053 L1096 V1100 Y1104 Y1174	V924-V992 WeakPolarHBondContact CA-O 3.47Å; Q925-V992 HydrophobicContact CG-CG1 3.96Å; Q925-V992 PolarHBondContact N-O 2.93Å; Q925-V992 PolarHBondContact O-N 2.93Å; V927-V992 HydrophobicContact CG2-CG1 3.78Å; V992-A1053 WeakPolarHBondContact CA-O 3.38Å; V992-L1096 HydrophobicContact CB-CD1 4.1Å; V992-L1096 HydrophobicContact CB-CD2 4.18Å; V992-L1096 HydrophobicContact CB-CG 4.46Å; V992-L1096 HydrophobicContact CG1-CD1 4.2Å; V992-L1096 HydrophobicContact CG2-CD1 4.47Å; V992-V1100 HydrophobicContact CG2-CG2 3.76Å; V992-Y1104 HydrophobicContact CG1-CD2 4.45Å; V992-Y1104 HydrophobicContact CG1-CE2 4.37Å; V992-Y1174 HydrophobicContact CG2-CE2 4.06Å
993	G	97.9	Very high	96.8	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	141	172	0	0	0	0	0	112	G923 F995 G1052 A1053	G923-G993 WeakPolarHBondContact O-CA 3.45Å; G993-F995 VanDerWaalsContact C-CE2 3.49Å; G993-G1052 CarbonylContact O-C 3.59Å; G993-G1052 VanDerWaalsContact O-CA 3.23Å; G993-G1052 WeakPolarHBondContact O-CA 3.49Å; G993-A1053 PolarHBondContact N-O 2.88Å; G993-A1053 PolarHBondContact O-N 2.84Å
994	L	98.2	Very high	97	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	131.9	172.9	-60.7	179	0	0	0	109.2	A919 L922 G923 V1100 Y1104 W1105	A919-L994 HydrophobicContact CB-CB 4.26Å; A919-L994 HydrophobicContact CB-CD1 3.97Å; L922-L994 WeakPolarHBondContact CA-O 3.36Å; L922-L994 HydrophobicContact CD2-CB 4.42Å; G923-L994 PolarHBondContact N-O 3.11Å; G923-L994 PolarHBondContact O-N 2.82Å; L994-V1100 HydrophobicContact CD2-CG1 4.26Å; L994-Y1104 VanDerWaalsContact CD1-C 3.47Å; L994-Y1104 WeakPolarHBondContact CD1-O 3.32Å; L994-W1105 HydrophobicContact CD1-CB 3.77Å; L994-W1105 HydrophobicContact CD1-CG 4.26Å; L994-W1105 HydrophobicContact CD2-CD2 4.36Å; L994-W1105 HydrophobicContact CD2-CE3 3.91Å
995	F	98.2	Very high	97.3	Very high	14 Å²	14	20 Å²	20	6%	0.061	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	142.1	-170.7	-55.9	-86.6	0	0	0	111.5	V924 G993 A997 I1006 I1016 Y1050 I1051 L1147 L1148	V924-F995 HydrophobicContact CG2-CE1 4.35Å; V924-F995 HydrophobicContact CG2-CZ 3.79Å; G993-F995 VanDerWaalsContact C-CE2 3.49Å; F995-A997 PolarHBondContact O-N 3.35Å; F995-I1006 HydrophobicContact CB-CG2 3.48Å; F995-I1006 VanDerWaalsContact CB-CG2 3.48Å; F995-I1006 HydrophobicContact CD1-CG2 4.4Å; F995-I1006 HydrophobicContact CD2-CG2 4.48Å; F995-I1006 HydrophobicContact CG-CG2 3.89Å; F995-I1016 HydrophobicContact CD1-CD1 4.2Å; F995-I1016 HydrophobicContact CE1-CD1 4.45Å; F995-Y1050 VanDerWaalsContact O-CA 3.24Å; F995-Y1050 WeakPolarHBondContact O-CA 3.29Å; F995-Y1050 WeakPolarHBondContact O-CB 3.28Å; F995-I1051 PolarHBondContact N-O 3.09Å; F995-I1051 PolarHBondContact O-N 2.87Å; F995-L1147 HydrophobicContact CD1-CD1 4.16Å; F995-L1147 HydrophobicContact CD2-CD1 4.3Å; F995-L1147 HydrophobicContact CD2-CD2 3.78Å; F995-L1147 HydrophobicContact CD2-CG 4.17Å; F995-L1147 HydrophobicContact CE1-CD1 3.83Å; F995-L1147 HydrophobicContact CE1-CG 4.24Å; F995-L1147 HydrophobicContact CE2-CD1 3.98Å; F995-L1147 HydrophobicContact CE2-CD2 3.55Å; F995-L1147 HydrophobicContact CE2-CG 3.56Å; F995-L1147 HydrophobicContact CG-CD1 4.38Å; F995-L1147 HydrophobicContact CZ-CD1 3.72Å; F995-L1147 HydrophobicContact CZ-CD2 4.12Å; F995-L1147 HydrophobicContact CZ-CG 3.6Å; F995-L1148 HydrophobicContact CE2-CD2 3.94Å; F995-L1148 HydrophobicContact CZ-CD2 4.11Å
996	P	98.3	Very high	97.5	Very high	2 Å²	2	17.8 Å²	17.8	1%	0.013	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	131.3	167.2	-21.4	34.9	0	0	0	109.7	L922 Y1007 E1010 R1012 Y1050	L922-P996 HydrophobicContact CD1-CG 4.07Å; L922-P996 HydrophobicContact CD2-CG 4.42Å; P996-Y1007 HydrophobicContact CB-CD2 4.48Å; P996-Y1007 WeakPolarHBondContact O-CD2 3.33Å; P996-Y1007 PolarHBondContact O-N 3.35Å; P996-E1010 HydrophobicContact CG-CG 4.47Å; P996-R1012 HydrophobicContact CB-CG 4.44Å; P996-Y1050 HydrophobicContact CB-CD1 4.47Å; P996-Y1050 HydrophobicContact CG-CD1 4.47Å; P996-Y1050 HydrophobicContact CG-CE1 4.39Å
997	A	98.2	Very high	97.6	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	154.9	-176.2	0	0	0	0	0	113	F995 I1004 E1005 R1012 D1049 I1051	F995-A997 PolarHBondContact O-N 3.35Å; A997-I1004 HydrophobicContact CB-CG2 3.71Å; A997-E1005 CarbonylContact C-O 3.51Å; A997-E1005 WeakPolarHBondContact CA-O 3.47Å; A997-E1005 WeakPolarHBondContact CB-O 3.46Å; A997-R1012 PolarHBondContact O-NH1 3.02Å; A997-D1049 PolarHBondContact N-O 3.4Å; A997-D1049 CarbonylContact O-C 3.59Å; A997-D1049 VanDerWaalsContact O-C 3.26Å; A997-I1051 HydrophobicContact CB-CB 3.96Å; A997-I1051 HydrophobicContact CB-CG2 3.61Å
998	N	98.1	Very high	97.5	Very high	8 Å²	8	22.5 Å²	22.5	4%	0.043	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	143.3	172.3	-76	113	0	0	0	111.2	E1005 Y1007 R1012 A1041 K1043 K1047	N998-E1005 PolarHBondContact N-O 2.83Å; N998-E1005 PolarHBondContact O-N 3.33Å; N998-Y1007 HydrophobicContact CB-CE2 4.06Å; N998-R1012 PolarHBondContact OD1-NH1 3.26Å; N998-A1041 WeakPolarHBondContact CA-O 3.31Å; N998-A1041 PolarHBondContact ND2-O 3.22Å; N998-K1043 HydrophobicContact CB-CB 3.97Å; N998-K1043 HydrophobicContact CB-CG 4.46Å; N998-K1047 PolarHBondContact ND2-O 3.32Å
999	R	97.2	Very high	97.4	Very high	25 Å²	25	25 Å²	25	9%	0.094	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	134.5	172.6	173.2	-170.3	-179.5	-161.8	-9.1	110.8	D906 G1001 D1003 R1023 A1037 D1038 V1040 A1041 P1042 K1043	D906-R999 IonicContact OD2-CZ 2.83Å; D906-R999 IonicContact OD2-NH1 2.81Å; D906-R999 PolarHBondContact OD2-NH1 2.77Å; D906-R999 IonicContact OD2-NH2 2.84Å; D906-R999 PolarHBondContact OD2-NH2 2.89Å; R999-G1001 WeakPolarHBondContact CG-O 3.25Å; R999-G1001 PolarHBondContact NE-O 2.85Å; R999-D1003 WeakPolarHBondContact CA-O 3.25Å; R999-R1023 VanDerWaalsContact NH2-NH2 3.19Å; R999-A1037 VanDerWaalsContact CD-O 3.25Å; R999-A1037 WeakPolarHBondContact CD-O 3.38Å; R999-A1037 HydrophobicContact CG-CB 4.09Å; R999-D1038 IonicContact CZ-OD1 3.78Å; R999-D1038 IonicContact NE-OD1 3.27Å; R999-D1038 IonicContact NH1-OD1 3.78Å; R999-D1038 PolarHBondContact NH1-OD1 3.4Å; R999-D1038 IonicContact NH2-OD1 2.72Å; R999-D1038 PolarHBondContact NH2-OD1 2.91Å; R999-V1040 VanDerWaalsContact CB-O 3.23Å; R999-V1040 WeakPolarHBondContact CB-O 2.92Å; R999-A1041 PolarHBondContact N-O 3.37Å; R999-P1042 WeakPolarHBondContact O-CA 3.29Å; R999-K1043 PolarHBondContact O-N 2.76Å
1000	V	96.5	Very high	97.3	Very high	59 Å²	59	24.9 Å²	24.9	36%	0.358	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	100.2	169.2	-179.6	0	0	0	0	108.6	D1002 D1003 E1005 K1043	V1000-D1002 PolarHBondContact O-N 2.8Å; V1000-D1003 PolarHBondContact N-O 3.47Å; V1000-D1003 PolarHBondContact O-N 3.02Å; V1000-D1003 VanDerWaalsContact O-N 3.11Å; V1000-E1005 HydrophobicContact CB-CG 4.44Å; V1000-E1005 HydrophobicContact CG2-CG 3.82Å; V1000-K1043 HydrophobicContact CG2-CB 4.1Å; V1000-K1043 HydrophobicContact CG2-CD 3.92Å
1001	G	94.8	Very high	97.2	Very high	46 Å²	46	29 Å²	29	47%	0.474	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.5	-119.6	-173.2	0	0	0	0	0	111.2	R999	R999-G1001 WeakPolarHBondContact CG-O 3.25Å; R999-G1001 PolarHBondContact NE-O 2.85Å
1002	D	96.7	Very high	97	Very high	3 Å²	3	31 Å²	31	2%	0.016	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	5.1	176.4	-59.5	-37.6	0	0	0	112.9	R903 V1000 H1021 R1023 A1037	R903-D1002 IonicContact CZ-OD2 3.52Å; R903-D1002 IonicContact NE-OD1 2.89Å; R903-D1002 IonicContact NE-OD2 3.29Å; R903-D1002 PolarHBondContact NE-OD2 2.99Å; R903-D1002 IonicContact NH2-OD2 3.33Å; R903-D1002 PolarHBondContact NH2-OD2 2.72Å; V1000-D1002 PolarHBondContact O-N 2.8Å; D1002-H1021 WeakPolarHBondContact O-CB 3.3Å; D1002-H1021 PolarHBondContact O-N 3.22Å; D1002-R1023 IonicContact OD1-CZ 3.61Å; D1002-R1023 IonicContact OD1-NE 3.79Å; D1002-R1023 PolarHBondContact OD1-NE 2.75Å; D1002-R1023 IonicContact OD1-NH2 2.72Å; D1002-R1023 PolarHBondContact OD1-NH2 3.26Å; D1002-A1037 WeakPolarHBondContact O-CB 3.18Å
1003	D	97.7	Very high	96.8	Very high	20 Å²	20	36.8 Å²	36.8	11%	0.107	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	165	179.3	-67.3	-18.6	0	0	0	111.5	R999 V1000 V1018 S1019 H1020 R1199	R999-D1003 WeakPolarHBondContact CA-O 3.25Å; V1000-D1003 PolarHBondContact N-O 3.47Å; V1000-D1003 PolarHBondContact O-N 3.02Å; V1000-D1003 VanDerWaalsContact O-N 3.11Å; D1003-V1018 HydrophobicContact CB-CG1 3.74Å; D1003-S1019 WeakPolarHBondContact CA-O 3.48Å; D1003-H1020 WeakPolarHBondContact OD1-CA 3.05Å; D1003-H1020 IonicContact OD1-CG 3.02Å; D1003-H1020 IonicContact OD1-ND1 2.71Å; D1003-H1020 PolarHBondContact OD1-ND1 3.26Å; D1003-H1020 IonicContact OD2-CE1 3.82Å; D1003-H1020 PolarHBondContact OD2-CE1 3.42Å; D1003-H1020 IonicContact OD2-ND1 2.66Å; D1003-H1020 PolarHBondContact OD2-ND1 2.94Å; D1003-R1199 IonicContact OD1-CZ 3.36Å; D1003-R1199 IonicContact OD1-NH1 3.23Å; D1003-R1199 PolarHBondContact OD1-NH1 3.44Å; D1003-R1199 VanDerWaalsContact OD2-CD 3.27Å; D1003-R1199 WeakPolarHBondContact OD2-CD 3.24Å
1004	I	98.2	Very high	96.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	114.3	171.9	-56.4	171.1	0	0	0	108.4	A997 V1018 S1019 H1021 A1037 V1040 I1051 F1175	A997-I1004 HydrophobicContact CB-CG2 3.71Å; I1004-V1018 WeakPolarHBondContact O-CA 3.43Å; I1004-S1019 PolarHBondContact N-O 3.07Å; I1004-S1019 PolarHBondContact O-N 3.19Å; I1004-H1021 WeakPolarHBondContact CD1-NE2 3.13Å; I1004-A1037 HydrophobicContact CD1-CB 4.35Å; I1004-A1037 HydrophobicContact CG1-CB 3.85Å; I1004-V1040 HydrophobicContact CD1-CB 4.48Å; I1004-V1040 HydrophobicContact CD1-CG2 3.93Å; I1004-V1040 HydrophobicContact CG2-CG1 4.36Å; I1004-I1051 HydrophobicContact CD1-CD1 3.69Å; I1004-I1051 HydrophobicContact CG2-CD1 4.26Å; I1004-F1175 HydrophobicContact CD1-CE1 3.78Å; I1004-F1175 HydrophobicContact CD1-CZ 4.03Å
1005	E	98.3	Very high	96.6	Very high	35 Å²	35	43.7 Å²	43.7	16%	0.164	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	128	170.1	-74.7	-176.3	-177	0	0	109.2	A997 N998 V1000 Y1007 V1015 K1043	A997-E1005 CarbonylContact C-O 3.51Å; A997-E1005 WeakPolarHBondContact CA-O 3.47Å; A997-E1005 WeakPolarHBondContact CB-O 3.46Å; N998-E1005 PolarHBondContact N-O 2.83Å; N998-E1005 PolarHBondContact O-N 3.33Å; V1000-E1005 HydrophobicContact CB-CG 4.44Å; V1000-E1005 HydrophobicContact CG2-CG 3.82Å; E1005-Y1007 HydrophobicContact CB-CE1 4.19Å; E1005-Y1007 HydrophobicContact CB-CE2 4.29Å; E1005-Y1007 WeakPolarHBondContact OE2-CE1 3.38Å; E1005-Y1007 VanDerWaalsContact OE2-CZ 3.28Å; E1005-Y1007 PolarHBondContact OE2-OH 3.11Å; E1005-V1015 HydrophobicContact CB-CG1 4.41Å; E1005-V1015 HydrophobicContact CB-CG2 4.18Å; E1005-V1015 HydrophobicContact CG-CG1 4.47Å; E1005-V1015 HydrophobicContact CG-CG2 4.12Å; E1005-K1043 IonicContact OE1-NZ 3.65Å; E1005-K1043 PolarHBondContact OE1-NZ 2.96Å; E1005-K1043 IonicContact OE2-NZ 3.46Å; E1005-K1043 PolarHBondContact OE2-NZ 3.09Å
1006	I	98.2	Very high	96.6	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	125.9	177.7	-52.5	-179.8	0	0	0	108.5	F995 V1015 I1016 N1017 I1051 L1147 W1173	F995-I1006 HydrophobicContact CB-CG2 3.48Å; F995-I1006 VanDerWaalsContact CB-CG2 3.48Å; F995-I1006 HydrophobicContact CD1-CG2 4.4Å; F995-I1006 HydrophobicContact CD2-CG2 4.48Å; F995-I1006 HydrophobicContact CG-CG2 3.89Å; I1006-V1015 CarbonylContact O-C 3.59Å; I1006-V1015 WeakPolarHBondContact O-CA 3.39Å; I1006-I1016 HydrophobicContact CB-CG1 4.44Å; I1006-I1016 HydrophobicContact CG2-CD1 4.2Å; I1006-I1016 HydrophobicContact CG2-CG1 4.11Å; I1006-I1016 VanDerWaalsContact O-CG1 3.31Å; I1006-I1016 WeakPolarHBondContact O-CG1 3.36Å; I1006-I1016 PolarHBondContact O-N 2.92Å; I1006-N1017 WeakPolarHBondContact CB-O 3.47Å; I1006-N1017 PolarHBondContact N-O 3.15Å; I1006-N1017 PolarHBondContact O-N 2.93Å; I1006-I1051 HydrophobicContact CD1-CG2 4.12Å; I1006-I1051 HydrophobicContact CG1-CG2 4.07Å; I1006-L1147 HydrophobicContact CD1-CD2 3.82Å; I1006-L1147 HydrophobicContact CG2-CD1 4.16Å; I1006-L1147 HydrophobicContact CG2-CD2 4.5Å; I1006-W1173 HydrophobicContact CD1-CH2 4.39Å; I1006-W1173 HydrophobicContact CD1-CZ3 4.17Å
1007	Y	98	Very high	96.5	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.008	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	153.9	-174.4	-53.5	-77.7	0	0	0	112.6	P996 N998 E1005 D1009 R1012 H1014 V1015	P996-Y1007 HydrophobicContact CB-CD2 4.48Å; P996-Y1007 WeakPolarHBondContact O-CD2 3.33Å; P996-Y1007 PolarHBondContact O-N 3.35Å; N998-Y1007 HydrophobicContact CB-CE2 4.06Å; E1005-Y1007 HydrophobicContact CB-CE1 4.19Å; E1005-Y1007 HydrophobicContact CB-CE2 4.29Å; E1005-Y1007 WeakPolarHBondContact OE2-CE1 3.38Å; E1005-Y1007 VanDerWaalsContact OE2-CZ 3.28Å; E1005-Y1007 PolarHBondContact OE2-OH 3.11Å; Y1007-D1009 VanDerWaalsContact C-N 3.31Å; Y1007-D1009 PolarHBondContact O-N 3.24Å; Y1007-R1012 HydrophobicContact CD1-CB 4.09Å; Y1007-R1012 HydrophobicContact CD2-CB 3.91Å; Y1007-R1012 HydrophobicContact CD2-CG 3.73Å; Y1007-R1012 HydrophobicContact CE1-CB 4.25Å; Y1007-R1012 WeakPolarHBondContact CE1-O 3.49Å; Y1007-R1012 HydrophobicContact CE2-CB 4.06Å; Y1007-R1012 HydrophobicContact CE2-CG 4.11Å; Y1007-R1012 HydrophobicContact CG-CB 3.92Å; Y1007-R1012 HydrophobicContact CG-CG 4.07Å; Y1007-H1014 WeakPolarHBondContact CA-O 3.43Å; Y1007-V1015 HydrophobicContact CD1-CG2 3.87Å; Y1007-V1015 HydrophobicContact CE1-CG2 3.56Å
1008	R	95	Very high	96.4	Very high	157 Å²	157	48.9 Å²	48.9	59%	0.592	26%	0.26	S	S	*	.	S	Bend	trans	-59.7	-40.3	176.3	-172.7	-178.8	-66.2	-88.1	-4.7	113.1	H1014 I1016	R1008-H1014 PolarHBondContact N-O 2.95Å; R1008-H1014 VanDerWaalsContact N-O 3.07Å; R1008-H1014 PolarHBondContact NE-CD2 3.12Å; R1008-H1014 PolarHBondContact NH2-CD2 2.92Å; R1008-H1014 PolarHBondContact NH2-NE2 3.4Å; R1008-I1016 HydrophobicContact CB-CG2 3.65Å; R1008-I1016 HydrophobicContact CG-CG2 4.31Å
1009	D	94.2	Very high	96.4	Very high	64 Å²	64	48.5 Å²	48.5	34%	0.342	26%	0.258	S	S	.	.	S	Bend	trans	-159.6	177.4	-171.2	59.4	55.8	0	0	0	111.2	Y1007 T1011 R1012	Y1007-D1009 VanDerWaalsContact C-N 3.31Å; Y1007-D1009 PolarHBondContact O-N 3.24Å; D1009-T1011 PolarHBondContact O-N 2.98Å; D1009-T1011 VanDerWaalsContact O-N 3.08Å; D1009-T1011 VanDerWaalsContact OD1-CB 3.24Å; D1009-T1011 WeakPolarHBondContact OD1-CB 3.48Å; D1009-T1011 WeakPolarHBondContact OD1-CG2 3.31Å; D1009-T1011 PolarHBondContact OD1-N 2.87Å; D1009-T1011 PolarHBondContact OD1-OG1 3.24Å; D1009-R1012 PolarHBondContact O-N 3.01Å; D1009-R1012 VanDerWaalsContact O-N 3.11Å
1010	E	95.5	Very high	96.4	Very high	84 Å²	84	48.4 Å²	48.4	39%	0.393	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-12	-175.3	-68	-71.8	-168.8	0	0	114.9	L922 P996 R1012 Y1050	L922-E1010 HydrophobicContact CD1-CG 3.96Å; P996-E1010 HydrophobicContact CG-CG 4.47Å; E1010-R1012 PolarHBondContact O-N 2.88Å; E1010-R1012 IonicContact OE2-NH2 3.83Å; E1010-Y1050 VanDerWaalsContact OE1-CE1 3.27Å; E1010-Y1050 WeakPolarHBondContact OE1-CE1 3.5Å; E1010-Y1050 PolarHBondContact OE1-OH 3.42Å; E1010-Y1050 VanDerWaalsContact OE1-OH 3.06Å
1011	T	94.6	Very high	96.4	Very high	89 Å²	89	45.7 Å²	45.7	55%	0.546	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-22	174.7	70.5	0	0	0	0	112.4	D1009 T1013	D1009-T1011 PolarHBondContact O-N 2.98Å; D1009-T1011 VanDerWaalsContact O-N 3.08Å; D1009-T1011 VanDerWaalsContact OD1-CB 3.24Å; D1009-T1011 WeakPolarHBondContact OD1-CB 3.48Å; D1009-T1011 WeakPolarHBondContact OD1-CG2 3.31Å; D1009-T1011 PolarHBondContact OD1-N 2.87Å; D1009-T1011 PolarHBondContact OD1-OG1 3.24Å; T1011-T1013 PolarHBondContact O-N 3.48Å; T1011-T1013 VanDerWaalsContact O-N 3.15Å; T1011-T1013 PolarHBondContact OG1-OG1 2.75Å
1012	R	94.5	Very high	96.5	Very high	43 Å²	43	43.8 Å²	43.8	16%	0.162	22%	0.221	C	C	.	.			trans	55.4	27.9	179	-56.8	175.7	-176	-102.9	-10.9	113.9	P996 A997 N998 Y1007 D1009 E1010 D1049	P996-R1012 HydrophobicContact CB-CG 4.44Å; A997-R1012 PolarHBondContact O-NH1 3.02Å; N998-R1012 PolarHBondContact OD1-NH1 3.26Å; Y1007-R1012 HydrophobicContact CD1-CB 4.09Å; Y1007-R1012 HydrophobicContact CD2-CB 3.91Å; Y1007-R1012 HydrophobicContact CD2-CG 3.73Å; Y1007-R1012 HydrophobicContact CE1-CB 4.25Å; Y1007-R1012 WeakPolarHBondContact CE1-O 3.49Å; Y1007-R1012 HydrophobicContact CE2-CB 4.06Å; Y1007-R1012 HydrophobicContact CE2-CG 4.11Å; Y1007-R1012 HydrophobicContact CG-CB 3.92Å; Y1007-R1012 HydrophobicContact CG-CG 4.07Å; D1009-R1012 PolarHBondContact O-N 3.01Å; D1009-R1012 VanDerWaalsContact O-N 3.11Å; E1010-R1012 PolarHBondContact O-N 2.88Å; E1010-R1012 IonicContact OE2-NH2 3.83Å; R1012-D1049 VanDerWaalsContact CZ-O 3.31Å; R1012-D1049 PolarHBondContact NH1-O 3.13Å; R1012-D1049 PolarHBondContact NH2-O 2.9Å
1013	T	94.1	Very high	96.5	Very high	121 Å²	121	43.6 Å²	43.6	74%	0.742	22%	0.22	S	C	*	.			trans	-92.6	-21.6	179.6	58.9	0	0	0	0	114.1	T1011	T1011-T1013 PolarHBondContact O-N 3.48Å; T1011-T1013 VanDerWaalsContact O-N 3.15Å; T1011-T1013 PolarHBondContact OG1-OG1 2.75Å
1014	H	95.9	Very high	96.4	Very high	93 Å²	93	43.5 Å²	43.5	43%	0.431	22%	0.219	S	C	.	.	S	Bend	trans	-127.5	106.8	-175.5	-175	77.1	0	0	0	110.3	Y1007 R1008 I1016	Y1007-H1014 WeakPolarHBondContact CA-O 3.43Å; R1008-H1014 PolarHBondContact N-O 2.95Å; R1008-H1014 VanDerWaalsContact N-O 3.07Å; R1008-H1014 PolarHBondContact NE-CD2 3.12Å; R1008-H1014 PolarHBondContact NH2-CD2 2.92Å; R1008-H1014 PolarHBondContact NH2-NE2 3.4Å; H1014-I1016 PolarHBondContact O-N 3.37Å
1015	V	97.4	Very high	96.3	Very high	53 Å²	53	43.5 Å²	43.5	32%	0.321	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	123.7	171.9	-179.1	0	0	0	0	108	E1005 I1006 Y1007 N1017 V1018	E1005-V1015 HydrophobicContact CB-CG1 4.41Å; E1005-V1015 HydrophobicContact CB-CG2 4.18Å; E1005-V1015 HydrophobicContact CG-CG1 4.47Å; E1005-V1015 HydrophobicContact CG-CG2 4.12Å; I1006-V1015 CarbonylContact O-C 3.59Å; I1006-V1015 WeakPolarHBondContact O-CA 3.39Å; Y1007-V1015 HydrophobicContact CD1-CG2 3.87Å; Y1007-V1015 HydrophobicContact CE1-CG2 3.56Å; V1015-N1017 VanDerWaalsContact CG1-O 3.3Å; V1015-N1017 WeakPolarHBondContact CG1-O 3.06Å; V1015-V1018 HydrophobicContact CG1-CG2 3.86Å
1016	I	96.5	Very high	95.9	Very high	60 Å²	60	43 Å²	43	31%	0.308	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	-30.4	177.9	55.6	168.8	0	0	0	112.1	F995 I1006 R1008 H1014 L1147	F995-I1016 HydrophobicContact CD1-CD1 4.2Å; F995-I1016 HydrophobicContact CE1-CD1 4.45Å; I1006-I1016 HydrophobicContact CB-CG1 4.44Å; I1006-I1016 HydrophobicContact CG2-CD1 4.2Å; I1006-I1016 HydrophobicContact CG2-CG1 4.11Å; I1006-I1016 VanDerWaalsContact O-CG1 3.31Å; I1006-I1016 WeakPolarHBondContact O-CG1 3.36Å; I1006-I1016 PolarHBondContact O-N 2.92Å; R1008-I1016 HydrophobicContact CB-CG2 3.65Å; R1008-I1016 HydrophobicContact CG-CG2 4.31Å; H1014-I1016 PolarHBondContact O-N 3.37Å; I1016-L1147 HydrophobicContact CD1-CD1 3.73Å; I1016-L1147 HydrophobicContact CG1-CD1 4.43Å
1017	N	96.1	Very high	95.5	Very high	29 Å²	29	47.6 Å²	47.6	16%	0.155	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	168.3	174.9	-141.5	-29	0	0	0	110.3	I1006 V1015 T1143 E1146	I1006-N1017 WeakPolarHBondContact CB-O 3.47Å; I1006-N1017 PolarHBondContact N-O 3.15Å; I1006-N1017 PolarHBondContact O-N 2.93Å; V1015-N1017 VanDerWaalsContact CG1-O 3.3Å; V1015-N1017 WeakPolarHBondContact CG1-O 3.06Å; N1017-T1143 HydrophobicContact CB-CG2 4.45Å; N1017-E1146 PolarHBondContact ND2-OE2 3.01Å; N1017-E1146 VanDerWaalsContact ND2-OE2 3.14Å
1018	V	97.4	Very high	95	Very high	35 Å²	35	51 Å²	51	21%	0.212	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	125.8	176.2	-177.4	0	0	0	0	108.5	D1003 I1004 V1015	D1003-V1018 HydrophobicContact CB-CG1 3.74Å; I1004-V1018 WeakPolarHBondContact O-CA 3.43Å; V1015-V1018 HydrophobicContact CG1-CG2 3.86Å
1019	S	96.9	Very high	94.2	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	123.1	171	176.8	0	0	0	0	108.9	D1003 I1004 H1021	D1003-S1019 WeakPolarHBondContact CA-O 3.48Å; I1004-S1019 PolarHBondContact N-O 3.07Å; I1004-S1019 PolarHBondContact O-N 3.19Å; S1019-H1021 PolarHBondContact OG-CE1 3.14Å; S1019-H1021 PolarHBondContact OG-NE2 3.35Å
1020	H	97.5	Very high	93.7	Very high	24 Å²	24	49 Å²	49	11%	0.111	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	125.6	-175.7	-58.6	-81.3	0	0	0	111.5	D1003 E1140 Y1196 R1199 K1200	D1003-H1020 WeakPolarHBondContact OD1-CA 3.05Å; D1003-H1020 IonicContact OD1-CG 3.02Å; D1003-H1020 IonicContact OD1-ND1 2.71Å; D1003-H1020 PolarHBondContact OD1-ND1 3.26Å; D1003-H1020 IonicContact OD2-CE1 3.82Å; D1003-H1020 PolarHBondContact OD2-CE1 3.42Å; D1003-H1020 IonicContact OD2-ND1 2.66Å; D1003-H1020 PolarHBondContact OD2-ND1 2.94Å; H1020-E1140 WeakPolarHBondContact CB-OE1 3.46Å; H1020-E1140 IonicContact CD2-OE1 3.57Å; H1020-E1140 PolarHBondContact N-OE2 2.99Å; H1020-Y1196 HydrophobicContact CB-CE2 3.7Å; H1020-R1199 PolarHBondContact CE1-O 2.77Å; H1020-K1200 HydrophobicContact CB-CD 3.91Å; H1020-K1200 HydrophobicContact CB-CG 4.33Å; H1020-K1200 WeakPolarHBondContact CD2-CD 3.44Å
1021	H	96.8	Very high	93.3	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.009	29%	0.286	C	S	.	.			trans	-116.7	165.2	-178.4	-58.6	-71.9	0	0	0	112.8	D1002 I1004 S1019 L1036 R1199	D1002-H1021 WeakPolarHBondContact O-CB 3.3Å; D1002-H1021 PolarHBondContact O-N 3.22Å; I1004-H1021 WeakPolarHBondContact CD1-NE2 3.13Å; S1019-H1021 PolarHBondContact OG-CE1 3.14Å; S1019-H1021 PolarHBondContact OG-NE2 3.35Å; H1021-L1036 HydrophobicContact CB-CB 4.35Å; H1021-R1199 PolarHBondContact O-NH1 2.88Å; H1021-R1199 VanDerWaalsContact O-NH1 3.14Å; H1021-R1199 PolarHBondContact O-NH2 2.88Å
1022	L	97.2	Very high	93.2	Very high	5 Å²	5	47.1 Å²	47.1	3%	0.026	26%	0.264	C	S	.	.			trans	-112	148	177.4	-64.4	169.7	0	0	0	109.7	P1136 V1185 Q1192 Y1196 L1211	L1022-P1136 HydrophobicContact CD1-CG 4Å; L1022-V1185 HydrophobicContact CB-CG1 3.91Å; L1022-V1185 HydrophobicContact CB-CG2 4.18Å; L1022-V1185 HydrophobicContact CD1-CG1 4.5Å; L1022-Q1192 HydrophobicContact CD2-CG 4.23Å; L1022-Y1196 HydrophobicContact CD2-CD2 3.61Å; L1022-Y1196 HydrophobicContact CD2-CE2 4.08Å; L1022-Y1196 HydrophobicContact CD2-CG 3.92Å; L1022-Y1196 HydrophobicContact CG-CD2 4.35Å; L1022-Y1196 HydrophobicContact CG-CE2 4.36Å; L1022-L1211 HydrophobicContact CD1-CD1 3.89Å; L1022-L1211 HydrophobicContact CD1-CD2 3.8Å; L1022-L1211 HydrophobicContact CD2-CD1 4.23Å
1023	R	96.6	Very high	93.3	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-111.9	143.1	-179.2	-173.9	172.2	-65.3	-77.4	1.3	111	A902 R999 D1002 Q1025 N1033 Y1034 C1035 D1038 Q1192	A902-R1023 HydrophobicContact CB-CG 4.25Å; R999-R1023 VanDerWaalsContact NH2-NH2 3.19Å; D1002-R1023 IonicContact OD1-CZ 3.61Å; D1002-R1023 IonicContact OD1-NE 3.79Å; D1002-R1023 PolarHBondContact OD1-NE 2.75Å; D1002-R1023 IonicContact OD1-NH2 2.72Å; D1002-R1023 PolarHBondContact OD1-NH2 3.26Å; R1023-Q1025 PolarHBondContact O-N 3.09Å; R1023-N1033 HydrophobicContact CG-CB 4.37Å; R1023-N1033 WeakPolarHBondContact CG-O 3.33Å; R1023-N1033 PolarHBondContact NH1-O 2.86Å; R1023-Y1034 WeakPolarHBondContact CA-O 3.01Å; R1023-C1035 HydrophobicContact CB-CB 4.15Å; R1023-C1035 HydrophobicContact CG-CB 4.28Å; R1023-C1035 VanDerWaalsContact NH2-CB 3.29Å; R1023-D1038 IonicContact CZ-OD1 3.26Å; R1023-D1038 IonicContact CZ-OD2 3.83Å; R1023-D1038 IonicContact NH1-OD1 2.86Å; R1023-D1038 PolarHBondContact NH1-OD1 3.05Å; R1023-D1038 IonicContact NH1-OD2 2.85Å; R1023-D1038 PolarHBondContact NH1-OD2 2.82Å; R1023-D1038 IonicContact NH2-OD1 2.79Å; R1023-D1038 PolarHBondContact NH2-OD1 3.3Å; R1023-D1038 IonicContact NH2-OD2 2.99Å; R1023-Q1192 PolarHBondContact O-NE2 2.79Å; R1023-Q1192 PolarHBondContact O-OE1 3.05Å
1024	Q	96.3	Very high	93.4	Very high	18 Å²	18	40.7 Å²	40.7	8%	0.084	23%	0.226	C	C	.	.			trans	-59.3	130.3	171.8	-68.2	-175.9	-43.7	0	0	111	A902 N1033 Y1034 Y1183 A1184	A902-Q1024 WeakPolarHBondContact CB-O 3.35Å; Q1024-N1033 HydrophobicContact CB-CB 4.48Å; Q1024-N1033 WeakPolarHBondContact O-CB 3.39Å; Q1024-N1033 PolarHBondContact O-ND2 2.72Å; Q1024-Y1034 PolarHBondContact N-O 3.04Å; Q1024-Y1034 VanDerWaalsContact N-O 3.12Å; Q1024-Y1183 HydrophobicContact CG-CD2 4.03Å; Q1024-Y1183 HydrophobicContact CG-CE2 4.19Å; Q1024-A1184 PolarHBondContact NE2-O 3.03Å
1025	Q	94.7	Very high	93.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.206	C	C	.	.			trans	-117.6	41.5	-180	-81	-174.8	-62.2	0	0	113.6	P896 V897 L899 A902 R1023 Q1189 D1191	P896-Q1025 WeakPolarHBondContact CA-O 3.28Å; V897-Q1025 PolarHBondContact N-O 3.47Å; L899-Q1025 VanDerWaalsContact CA-NE2 3.28Å; A902-Q1025 HydrophobicContact CB-CG 4.24Å; R1023-Q1025 PolarHBondContact O-N 3.09Å; Q1025-Q1189 HydrophobicContact CB-CG 4.22Å; Q1025-D1191 PolarHBondContact NE2-OD1 3Å
1026	T	90.8	Very high	93.5	Very high	23 Å²	23	33.7 Å²	33.7	14%	0.141	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-112.9	150.1	170.2	49.9	0	0	0	0	110.4	K1028 N1033	T1026-K1028 PolarHBondContact O-N 3.33Å; T1026-N1033 PolarHBondContact O-ND2 2.92Å
1027	E	89.3	Confident	93.5	Very high	97 Å²	97	30.9 Å²	30.9	45%	0.453	18%	0.176	S	C	.	.			trans	-60.9	121.1	177.6	-176.8	179.9	-145.3	0	0	110.5	T894 P895 V897	T894-E1027 HydrophobicContact CG2-CB 4.17Å; T894-E1027 WeakPolarHBondContact CG2-O 3.12Å; P895-E1027 WeakPolarHBondContact CD-OE2 3.42Å; P895-E1027 HydrophobicContact CG-CB 3.94Å; P895-E1027 WeakPolarHBondContact CG-OE2 3.23Å; P895-E1027 PolarHBondContact O-N 3.29Å; V897-E1027 HydrophobicContact CG1-CB 3.78Å; V897-E1027 HydrophobicContact CG1-CG 4.44Å
1028	K	87.2	Confident	93.5	Very high	73 Å²	73	29.5 Å²	29.5	32%	0.317	17%	0.169	S	C	.	.			trans	-116.7	127.5	178.5	-64.5	-70	-174.8	177.2	0	110	T1026 F1031	T1026-K1028 PolarHBondContact O-N 3.33Å; K1028-F1031 WeakPolarHBondContact CB-O 3.38Å
1029	T	79	Confident	93.5	Very high	97 Å²	97	28 Å²	28	60%	0.595	16%	0.159	S	C	*	.	S	Bend	trans	-110.4	112.5	174.7	46.5	0	0	0	0	109.9	F1031	T1029-F1031 VanDerWaalsContact C-N 3.33Å
1030	G	82.9	Confident	93.5	Very high	82 Å²	82	28 Å²	28	85%	0.845	16%	0.159	S	C	*	.	S	Bend	trans	83.3	1.4	-178.3	0	0	0	0	0	115.5
1031	F	87.9	Confident	93.5	Very high	124 Å²	124	26.9 Å²	26.9	54%	0.544	15%	0.154	S	C	.	.	S	Bend	trans	-132.4	151.9	173.6	-60.3	-82.6	0	0	0	109.5	N905 K1028 T1029	N905-F1031 PolarHBondContact ND2-O 3.28Å; K1028-F1031 WeakPolarHBondContact CB-O 3.38Å; T1029-F1031 VanDerWaalsContact C-N 3.33Å
1032	A	93.1	Very high	93.5	Very high	10 Å²	10	28.2 Å²	28.2	8%	0.083	16%	0.163	C	C	.	.			trans	-74.5	154.4	175.5	0	0	0	0	0	111.9	N905 D906 F907 Y1034	N905-A1032 CarbonylContact O-C 3.49Å; N905-A1032 WeakPolarHBondContact O-CA 3.37Å; D906-A1032 WeakPolarHBondContact O-CB 3.36Å; F907-A1032 HydrophobicContact CB-CB 4.11Å; A1032-Y1034 HydrophobicContact CB-CD1 4.17Å; A1032-Y1034 HydrophobicContact CB-CE1 3.84Å; A1032-Y1034 HydrophobicContact CB-CE2 4.45Å; A1032-Y1034 WeakPolarHBondContact O-CD2 3.38Å; A1032-Y1034 PolarHBondContact O-N 3.15Å
1033	N	96	Very high	93.4	Very high	3 Å²	3	32.8 Å²	32.8	2%	0.016	18%	0.183	C	C	.	.			trans	-81	87.9	162.7	-77.5	86.7	0	0	0	108.7	A902 N905 R1023 Q1024 T1026	A902-N1033 HydrophobicContact CB-CB 4.03Å; A902-N1033 WeakPolarHBondContact O-CB 3.44Å; N905-N1033 PolarHBondContact ND2-OD1 3.28Å; N905-N1033 PolarHBondContact O-N 2.81Å; R1023-N1033 HydrophobicContact CG-CB 4.37Å; R1023-N1033 WeakPolarHBondContact CG-O 3.33Å; R1023-N1033 PolarHBondContact NH1-O 2.86Å; Q1024-N1033 HydrophobicContact CB-CB 4.48Å; Q1024-N1033 WeakPolarHBondContact O-CB 3.39Å; Q1024-N1033 PolarHBondContact O-ND2 2.72Å; T1026-N1033 PolarHBondContact O-ND2 2.92Å
1034	Y	96.4	Very high	93.2	Very high	26 Å²	26	41.3 Å²	41.3	10%	0.102	23%	0.227	C	C	.	.			trans	-65.6	143.8	-169.4	-66.5	-71.4	0	0	0	114.1	F907 R1023 Q1024 A1032 F1039 K1181 Y1183	F907-Y1034 HydrophobicContact CB-CD1 4.14Å; F907-Y1034 HydrophobicContact CB-CE1 4.08Å; F907-Y1034 AromaticContact CD2-CE1 3.85Å; F907-Y1034 HydrophobicContact CD2-CE1 3.85Å; F907-Y1034 HydrophobicContact CG-CE1 4.2Å; R1023-Y1034 WeakPolarHBondContact CA-O 3.01Å; Q1024-Y1034 PolarHBondContact N-O 3.04Å; Q1024-Y1034 VanDerWaalsContact N-O 3.12Å; A1032-Y1034 HydrophobicContact CB-CD1 4.17Å; A1032-Y1034 HydrophobicContact CB-CE1 3.84Å; A1032-Y1034 HydrophobicContact CB-CE2 4.45Å; A1032-Y1034 WeakPolarHBondContact O-CD2 3.38Å; A1032-Y1034 PolarHBondContact O-N 3.15Å; Y1034-F1039 HydrophobicContact CD1-CZ 4.2Å; Y1034-K1181 WeakPolarHBondContact OH-CE 3.35Å; Y1034-K1181 PolarHBondContact OH-NZ 3.5Å; Y1034-Y1183 HydrophobicContact CG-CD1 4.35Å
1035	C	97	Very high	93	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-131.6	144.9	163.9	-179.2	0	0	0	0	109.2	R1023 A1037 D1038 Y1183	R1023-C1035 HydrophobicContact CB-CB 4.15Å; R1023-C1035 HydrophobicContact CG-CB 4.28Å; R1023-C1035 VanDerWaalsContact NH2-CB 3.29Å; C1035-A1037 PolarHBondContact O-N 3.41Å; C1035-D1038 PolarHBondContact N-OD2 2.78Å; C1035-D1038 WeakPolarHBondContact O-CB 3.38Å; C1035-D1038 VanDerWaalsContact O-CG 3.23Å; C1035-D1038 PolarHBondContact O-N 2.84Å; C1035-Y1183 WeakPolarHBondContact CA-OH 3.41Å
1036	L	97.3	Very high	93	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-62.3	-31.8	-179.6	-76.1	177.9	0	0	0	111.4	H1021 D1038 F1039 I1126 P1128 A1134 C1135 F1175 Y1183	H1021-L1036 HydrophobicContact CB-CB 4.35Å; L1036-D1038 PolarHBondContact O-N 3.21Å; L1036-F1039 PolarHBondContact O-N 3.2Å; L1036-I1126 HydrophobicContact CD2-CD1 3.99Å; L1036-P1128 HydrophobicContact CD1-CB 4.02Å; L1036-P1128 HydrophobicContact CD1-CG 3.9Å; L1036-P1128 HydrophobicContact CD2-CB 4.29Å; L1036-P1128 HydrophobicContact CD2-CG 3.93Å; L1036-A1134 HydrophobicContact CD2-CB 4.42Å; L1036-C1135 HydrophobicContact CD1-CB 3.88Å; L1036-F1175 HydrophobicContact CB-CE2 4.47Å; L1036-F1175 HydrophobicContact CB-CZ 3.95Å; L1036-F1175 HydrophobicContact CD2-CE2 4.42Å; L1036-F1175 WeakPolarHBondContact O-CE1 3.47Å; L1036-Y1183 HydrophobicContact CD2-CE1 4.01Å; L1036-Y1183 HydrophobicContact CG-CE1 4.39Å; L1036-Y1183 PolarHBondContact N-OH 3.11Å
1037	A	96.9	Very high	93.2	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-59.6	-24.3	174.4	0	0	0	0	0	113	R999 D1002 I1004 C1035 F1039 V1040	R999-A1037 VanDerWaalsContact CD-O 3.25Å; R999-A1037 WeakPolarHBondContact CD-O 3.38Å; R999-A1037 HydrophobicContact CG-CB 4.09Å; D1002-A1037 WeakPolarHBondContact O-CB 3.18Å; I1004-A1037 HydrophobicContact CD1-CB 4.35Å; I1004-A1037 HydrophobicContact CG1-CB 3.85Å; C1035-A1037 PolarHBondContact O-N 3.41Å; A1037-F1039 PolarHBondContact O-N 3.2Å; A1037-F1039 VanDerWaalsContact O-N 3.11Å; A1037-V1040 PolarHBondContact O-N 3Å; A1037-V1040 VanDerWaalsContact O-N 3.16Å
1038	D	96.9	Very high	93.5	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-64.1	-16.3	-179.6	-60.7	-19.4	0	0	0	113.2	F907 W911 R999 R1023 C1035 L1036	F907-D1038 HydrophobicContact CB-CB 3.89Å; F907-D1038 HydrophobicContact CD1-CB 4.36Å; W911-D1038 WeakPolarHBondContact CZ2-O 3.47Å; R999-D1038 IonicContact CZ-OD1 3.78Å; R999-D1038 IonicContact NE-OD1 3.27Å; R999-D1038 IonicContact NH1-OD1 3.78Å; R999-D1038 PolarHBondContact NH1-OD1 3.4Å; R999-D1038 IonicContact NH2-OD1 2.72Å; R999-D1038 PolarHBondContact NH2-OD1 2.91Å; R1023-D1038 IonicContact CZ-OD1 3.26Å; R1023-D1038 IonicContact CZ-OD2 3.83Å; R1023-D1038 IonicContact NH1-OD1 2.86Å; R1023-D1038 PolarHBondContact NH1-OD1 3.05Å; R1023-D1038 IonicContact NH1-OD2 2.85Å; R1023-D1038 PolarHBondContact NH1-OD2 2.82Å; R1023-D1038 IonicContact NH2-OD1 2.79Å; R1023-D1038 PolarHBondContact NH2-OD1 3.3Å; R1023-D1038 IonicContact NH2-OD2 2.99Å; C1035-D1038 PolarHBondContact N-OD2 2.78Å; C1035-D1038 WeakPolarHBondContact O-CB 3.38Å; C1035-D1038 VanDerWaalsContact O-CG 3.23Å; C1035-D1038 PolarHBondContact O-N 2.84Å; L1036-D1038 PolarHBondContact O-N 3.21Å
1039	F	97.1	Very high	94	Very high	3 Å²	3	39.9 Å²	39.9	1%	0.013	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-94.8	11.8	179.6	-55.1	-54.6	0	0	0	113.7	F907 Y1034 L1036 A1037 F1175 H1177 D1179 K1181 Y1183	F907-F1039 HydrophobicContact CD1-CD1 4.32Å; F907-F1039 HydrophobicContact CD1-CE1 4.15Å; F907-F1039 HydrophobicContact CE1-CD1 4.3Å; F907-F1039 HydrophobicContact CE1-CE1 4.24Å; Y1034-F1039 HydrophobicContact CD1-CZ 4.2Å; L1036-F1039 PolarHBondContact O-N 3.2Å; A1037-F1039 PolarHBondContact O-N 3.2Å; A1037-F1039 VanDerWaalsContact O-N 3.11Å; F1039-F1175 HydrophobicContact CB-CD1 3.92Å; F1039-H1177 HydrophobicContact CB-CB 3.99Å; F1039-H1177 WeakPolarHBondContact O-CB 3.37Å; F1039-D1179 WeakPolarHBondContact CE1-O 3.3Å; F1039-K1181 HydrophobicContact CZ-CG 4.26Å; F1039-Y1183 HydrophobicContact CE2-CE1 4.28Å
1040	V	97.5	Very high	94.9	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.006	22%	0.222	C	C	.	.	S	Bend	trans	-124.2	138.2	173.3	178.1	0	0	0	0	109.6	R999 I1004 A1037 D1049 F1175	R999-V1040 VanDerWaalsContact CB-O 3.23Å; R999-V1040 WeakPolarHBondContact CB-O 2.92Å; I1004-V1040 HydrophobicContact CD1-CB 4.48Å; I1004-V1040 HydrophobicContact CD1-CG2 3.93Å; I1004-V1040 HydrophobicContact CG2-CG1 4.36Å; A1037-V1040 PolarHBondContact O-N 3Å; A1037-V1040 VanDerWaalsContact O-N 3.16Å; V1040-D1049 WeakPolarHBondContact CA-OD2 3.09Å; V1040-D1049 HydrophobicContact CG1-CB 4.07Å; V1040-F1175 HydrophobicContact CG2-CD1 3.87Å; V1040-F1175 HydrophobicContact CG2-CE1 3.8Å
1041	A	96.8	Very high	95.6	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.182	C	C	.	.			trans	-58.2	128.4	-174.1	0	0	0	0	0	112.2	W911 P916 N998 R999 K1043 K1047 D1049	W911-A1041 HydrophobicContact CD2-CB 4.15Å; W911-A1041 HydrophobicContact CE3-CB 3.47Å; W911-A1041 VanDerWaalsContact CE3-CB 3.47Å; W911-A1041 HydrophobicContact CH2-CB 4.24Å; W911-A1041 VanDerWaalsContact CH2-N 3.29Å; W911-A1041 HydrophobicContact CZ3-CB 3.53Å; P916-A1041 HydrophobicContact CG-CB 4.3Å; N998-A1041 WeakPolarHBondContact CA-O 3.31Å; N998-A1041 PolarHBondContact ND2-O 3.22Å; R999-A1041 PolarHBondContact N-O 3.37Å; A1041-K1043 PolarHBondContact O-N 3.34Å; A1041-K1047 HydrophobicContact CB-CB 3.92Å; A1041-D1049 HydrophobicContact CB-CB 3.65Å; A1041-D1049 PolarHBondContact N-OD2 3.24Å
1042	P	96.2	Very high	96.1	Very high	30 Å²	30	25.9 Å²	25.9	20%	0.195	16%	0.156	C	C	.	.	B	Isolated β-bridge	trans	-57.2	139.2	175.1	-23.9	31	0	0	0	111.4	W911 R999 L1044 S1045	W911-P1042 HydrophobicContact CG-CG 4.42Å; W911-P1042 VanDerWaalsContact NE1-CD 3.33Å; R999-P1042 WeakPolarHBondContact O-CA 3.29Å; P1042-L1044 PolarHBondContact O-N 3.16Å; P1042-L1044 VanDerWaalsContact O-N 3.11Å; P1042-S1045 VanDerWaalsContact O-CB 3.27Å; P1042-S1045 WeakPolarHBondContact O-CB 3.27Å; P1042-S1045 PolarHBondContact O-N 3.31Å; P1042-S1045 PolarHBondContact O-OG 2.88Å
1043	K	94.9	Very high	96.3	Very high	102 Å²	102	25.4 Å²	25.4	44%	0.443	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-53.3	-35	175.9	-169.6	174.1	-174.4	169.7	0	112.7	N998 R999 V1000 E1005 A1041 S1045 G1046	N998-K1043 HydrophobicContact CB-CB 3.97Å; N998-K1043 HydrophobicContact CB-CG 4.46Å; R999-K1043 PolarHBondContact O-N 2.76Å; V1000-K1043 HydrophobicContact CG2-CB 4.1Å; V1000-K1043 HydrophobicContact CG2-CD 3.92Å; E1005-K1043 IonicContact OE1-NZ 3.65Å; E1005-K1043 PolarHBondContact OE1-NZ 2.96Å; E1005-K1043 IonicContact OE2-NZ 3.46Å; E1005-K1043 PolarHBondContact OE2-NZ 3.09Å; A1041-K1043 PolarHBondContact O-N 3.34Å; K1043-S1045 VanDerWaalsContact C-N 3.3Å; K1043-S1045 PolarHBondContact O-N 2.84Å; K1043-G1046 PolarHBondContact O-N 3.35Å
1044	L	92.9	Very high	96.5	Very high	178 Å²	178	25.3 Å²	25.3	93%	0.932	15%	0.152	S	C	*	.	G	3₁₀ helix	trans	-72.4	-17.3	178.3	-65.3	176.1	0	0	0	114.1	P1042 G1046	P1042-L1044 PolarHBondContact O-N 3.16Å; P1042-L1044 VanDerWaalsContact O-N 3.11Å; L1044-G1046 PolarHBondContact O-N 3.46Å
1045	S	93.5	Very high	96.6	Very high	20 Å²	20	24 Å²	24	14%	0.14	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-70.9	-19.4	176.6	72.8	0	0	0	0	112.8	Q912 P1042 K1043 K1047	Q912-S1045 PolarHBondContact NE2-O 3Å; P1042-S1045 VanDerWaalsContact O-CB 3.27Å; P1042-S1045 WeakPolarHBondContact O-CB 3.27Å; P1042-S1045 PolarHBondContact O-N 3.31Å; P1042-S1045 PolarHBondContact O-OG 2.88Å; K1043-S1045 VanDerWaalsContact C-N 3.3Å; K1043-S1045 PolarHBondContact O-N 2.84Å; S1045-K1047 PolarHBondContact O-N 3.2Å; S1045-K1047 WeakPolarHBondContact OG-CB 3.32Å; S1045-K1047 PolarHBondContact OG-N 3.48Å
1046	G	93	Very high	96.6	Very high	73 Å²	73	24 Å²	24	75%	0.753	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.9	5.6	-173.2	0	0	0	0	0	114.5	K1043 L1044	K1043-G1046 PolarHBondContact O-N 3.35Å; L1044-G1046 PolarHBondContact O-N 3.46Å
1047	K	95.3	Very high	96.6	Very high	41 Å²	41	24 Å²	24	18%	0.178	15%	0.147	C	C	.	.			trans	-85.5	138.3	178.6	-61.3	-73.2	179.6	136.2	0	111	W911 Q912 Y914 P916 N998 A1041 S1045	W911-K1047 WeakPolarHBondContact O-CE 3.47Å; W911-K1047 PolarHBondContact O-NZ 2.92Å; Q912-K1047 PolarHBondContact O-NZ 3.08Å; Y914-K1047 PolarHBondContact O-NZ 3.36Å; P916-K1047 HydrophobicContact CG-CB 4.48Å; N998-K1047 PolarHBondContact ND2-O 3.32Å; A1041-K1047 HydrophobicContact CB-CB 3.92Å; S1045-K1047 PolarHBondContact O-N 3.2Å; S1045-K1047 WeakPolarHBondContact OG-CB 3.32Å; S1045-K1047 PolarHBondContact OG-N 3.48Å
1048	A	95.7	Very high	96.6	Very high	46 Å²	46	24 Å²	24	38%	0.38	15%	0.147	S	C	.	.			trans	-85	113.8	174.2	0	0	0	0	0	109.6
1049	D	97.6	Very high	96.4	Very high	2 Å²	2	24 Å²	24	1%	0.011	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	175.2	178.6	-152.9	-13.6	0	0	0	111.4	P916 A997 R1012 V1040 A1041	P916-D1049 HydrophobicContact CB-CB 3.96Å; P916-D1049 VanDerWaalsContact CB-CG 3.45Å; P916-D1049 VanDerWaalsContact CB-OD1 3.3Å; P916-D1049 WeakPolarHBondContact CB-OD1 3.48Å; P916-D1049 HydrophobicContact CG-CB 3.87Å; A997-D1049 PolarHBondContact N-O 3.4Å; A997-D1049 CarbonylContact O-C 3.59Å; A997-D1049 VanDerWaalsContact O-C 3.26Å; R1012-D1049 VanDerWaalsContact CZ-O 3.31Å; R1012-D1049 PolarHBondContact NH1-O 3.13Å; R1012-D1049 PolarHBondContact NH2-O 2.9Å; V1040-D1049 WeakPolarHBondContact CA-OD2 3.09Å; V1040-D1049 HydrophobicContact CG1-CB 4.07Å; A1041-D1049 HydrophobicContact CB-CB 3.65Å; A1041-D1049 PolarHBondContact N-OD2 3.24Å
1050	Y	98.2	Very high	96.3	Very high	8 Å²	8	26.6 Å²	26.6	3%	0.031	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	160.1	-171	-49.5	-95.6	0	0	0	111.2	P917 A919 L922 F995 P996 E1010 W1105	P917-Y1050 VanDerWaalsContact O-CD2 3.3Å; P917-Y1050 WeakPolarHBondContact O-CD2 3.43Å; P917-Y1050 WeakPolarHBondContact O-CE2 3.3Å; A919-Y1050 HydrophobicContact CB-CD1 4.05Å; A919-Y1050 HydrophobicContact CB-CE1 4.38Å; A919-Y1050 HydrophobicContact CB-CG 4.24Å; L922-Y1050 HydrophobicContact CD2-CD1 3.9Å; L922-Y1050 HydrophobicContact CD2-CE1 4.03Å; F995-Y1050 VanDerWaalsContact O-CA 3.24Å; F995-Y1050 WeakPolarHBondContact O-CA 3.29Å; F995-Y1050 WeakPolarHBondContact O-CB 3.28Å; P996-Y1050 HydrophobicContact CB-CD1 4.47Å; P996-Y1050 HydrophobicContact CG-CD1 4.47Å; P996-Y1050 HydrophobicContact CG-CE1 4.39Å; E1010-Y1050 VanDerWaalsContact OE1-CE1 3.27Å; E1010-Y1050 WeakPolarHBondContact OE1-CE1 3.5Å; E1010-Y1050 PolarHBondContact OE1-OH 3.42Å; E1010-Y1050 VanDerWaalsContact OE1-OH 3.06Å; Y1050-W1105 HydrophobicContact CG-CZ2 4.5Å; Y1050-W1105 WeakPolarHBondContact O-CH2 3.23Å
1051	I	98	Very high	96.3	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	146.2	168.2	-165.4	174.3	0	0	0	108.6	F995 A997 I1004 I1006 W1173 F1175	F995-I1051 PolarHBondContact N-O 3.09Å; F995-I1051 PolarHBondContact O-N 2.87Å; A997-I1051 HydrophobicContact CB-CB 3.96Å; A997-I1051 HydrophobicContact CB-CG2 3.61Å; I1004-I1051 HydrophobicContact CD1-CD1 3.69Å; I1004-I1051 HydrophobicContact CG2-CD1 4.26Å; I1006-I1051 HydrophobicContact CD1-CG2 4.12Å; I1006-I1051 HydrophobicContact CG1-CG2 4.07Å; I1051-W1173 HydrophobicContact CD1-CD2 4.29Å; I1051-W1173 HydrophobicContact CD1-CE3 3.85Å; I1051-W1173 HydrophobicContact CD1-CZ3 4.44Å; I1051-W1173 HydrophobicContact CG1-CE3 4.31Å; I1051-F1175 HydrophobicContact CD1-CE1 4.47Å; I1051-F1175 HydrophobicContact CD1-CZ 4.25Å
1052	G	98	Very high	96.1	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	158.5	169.7	0	0	0	0	0	112.4	G993 W1173 Y1174	G993-G1052 CarbonylContact O-C 3.59Å; G993-G1052 VanDerWaalsContact O-CA 3.23Å; G993-G1052 WeakPolarHBondContact O-CA 3.49Å; G1052-W1173 CarbonylContact O-C 3.41Å; G1052-W1173 VanDerWaalsContact O-CA 3.31Å; G1052-W1173 WeakPolarHBondContact O-CA 3.41Å; G1052-Y1174 PolarHBondContact N-O 3.49Å; G1052-Y1174 VanDerWaalsContact N-O 3.16Å; G1052-Y1174 PolarHBondContact O-N 2.87Å
1053	A	98.4	Very high	95.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	151.5	169	0	0	0	0	0	109.9	V992 G993 I1144 L1147 L1148 G1172 W1173	V992-A1053 WeakPolarHBondContact CA-O 3.38Å; G993-A1053 PolarHBondContact N-O 2.88Å; G993-A1053 PolarHBondContact O-N 2.84Å; A1053-I1144 HydrophobicContact CB-CG2 4.41Å; A1053-L1147 HydrophobicContact CB-CD2 4.34Å; A1053-L1148 HydrophobicContact CB-CD1 3.91Å; A1053-L1148 HydrophobicContact CB-CD2 4.16Å; A1053-L1148 HydrophobicContact CB-CG 4.14Å; A1053-G1172 WeakPolarHBondContact CA-O 3.48Å; A1053-W1173 HydrophobicContact CB-CE3 3.76Å; A1053-W1173 HydrophobicContact CB-CZ3 3.76Å
1054	F	98.5	Very high	95.8	Very high	1 Å²	1	28.1 Å²	28.1	0%	0.004	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	156.4	174.7	74.4	-80.9	0	0	0	112.5	V991 V1056 A1093 L1096 R1127 V1170 S1171 G1172 Y1174	V991-F1054 VanDerWaalsContact O-CA 3.32Å; V991-F1054 WeakPolarHBondContact O-CA 3.3Å; F1054-V1056 HydrophobicContact CD2-CG1 4.26Å; F1054-V1056 HydrophobicContact CD2-CG2 4.31Å; F1054-V1056 HydrophobicContact CE2-CG2 4.27Å; F1054-A1093 HydrophobicContact CE2-CB 3.69Å; F1054-A1093 HydrophobicContact CZ-CB 4.19Å; F1054-L1096 HydrophobicContact CB-CD2 3.87Å; F1054-R1127 HydrophobicContact CE1-CB 4.16Å; F1054-V1170 HydrophobicContact CE2-CB 4.39Å; F1054-V1170 HydrophobicContact CE2-CG1 3.9Å; F1054-V1170 HydrophobicContact CZ-CG1 4.08Å; F1054-S1171 VanDerWaalsContact O-CA 3.23Å; F1054-S1171 WeakPolarHBondContact O-CA 3.45Å; F1054-S1171 WeakPolarHBondContact O-CB 3.38Å; F1054-G1172 WeakPolarHBondContact CD1-O 3.38Å; F1054-G1172 PolarHBondContact N-O 3.39Å; F1054-G1172 PolarHBondContact O-N 3.41Å; F1054-G1172 VanDerWaalsContact O-N 3.08Å; F1054-Y1174 HydrophobicContact CB-CE2 3.7Å; F1054-Y1174 HydrophobicContact CD1-CD1 4.33Å; F1054-Y1174 HydrophobicContact CD1-CD2 4.18Å; F1054-Y1174 AromaticContact CD1-CE1 3.73Å; F1054-Y1174 HydrophobicContact CD1-CE1 3.73Å; F1054-Y1174 AromaticContact CD1-CE2 3.57Å; F1054-Y1174 HydrophobicContact CD1-CE2 3.57Å; F1054-Y1174 AromaticContact CD1-CZ 3.31Å; F1054-Y1174 WeakPolarHBondContact CD1-OH 3.31Å; F1054-Y1174 AromaticContact CE1-CE1 3.9Å; F1054-Y1174 HydrophobicContact CE1-CE1 3.9Å; F1054-Y1174 AromaticContact CE1-CZ 3.92Å; F1054-Y1174 AromaticContact CG-CE2 3.91Å; F1054-Y1174 HydrophobicContact CG-CE2 3.91Å; F1054-Y1174 AromaticContact CG-CZ 3.73Å; F1054-Y1174 WeakPolarHBondContact CG-OH 3.43Å
1055	A	98.5	Very high	95.9	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	130.9	164.2	0	0	0	0	0	109.2	G990 V991 V1150 M1156 V1170	G990-A1055 CarbonylContact C-O 3.55Å; G990-A1055 WeakPolarHBondContact CA-O 3.42Å; V991-A1055 HydrophobicContact CG1-CB 3.99Å; V991-A1055 PolarHBondContact N-O 3.48Å; V991-A1055 PolarHBondContact O-N 3.08Å; A1055-V1150 HydrophobicContact CB-CG1 3.83Å; A1055-V1150 HydrophobicContact CB-CG2 3.81Å; A1055-M1156 HydrophobicContact CB-CE 4.32Å; A1055-M1156 HydrophobicContact CB-SD 4.39Å; A1055-V1170 CarbonylContact C-O 3.59Å; A1055-V1170 WeakPolarHBondContact CA-O 3.31Å
1056	V	98.5	Very high	95.9	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	151.8	-178.6	-63.3	0	0	0	0	110.8	R989 F1054 A1089 F1092 A1093 L1096 M1156 S1169 V1170	R989-V1056 WeakPolarHBondContact O-CA 3.19Å; F1054-V1056 HydrophobicContact CD2-CG1 4.26Å; F1054-V1056 HydrophobicContact CD2-CG2 4.31Å; F1054-V1056 HydrophobicContact CE2-CG2 4.27Å; V1056-A1089 WeakPolarHBondContact CG2-O 3.34Å; V1056-F1092 HydrophobicContact CB-CB 4.18Å; V1056-F1092 HydrophobicContact CB-CD1 3.89Å; V1056-F1092 HydrophobicContact CB-CG 4Å; V1056-F1092 HydrophobicContact CG1-CB 4.41Å; V1056-F1092 HydrophobicContact CG1-CD1 4.03Å; V1056-F1092 HydrophobicContact CG1-CD2 4.14Å; V1056-F1092 HydrophobicContact CG1-CE1 4.37Å; V1056-F1092 HydrophobicContact CG1-CE2 4.43Å; V1056-F1092 HydrophobicContact CG1-CG 3.91Å; V1056-F1092 HydrophobicContact CG2-CB 4.28Å; V1056-A1093 HydrophobicContact CG2-CB 3.95Å; V1056-L1096 HydrophobicContact CG1-CD2 3.64Å; V1056-M1156 VanDerWaalsContact O-CE 3.28Å; V1056-M1156 WeakPolarHBondContact O-CE 3.35Å; V1056-S1169 CarbonylContact O-C 3.6Å; V1056-S1169 WeakPolarHBondContact O-CA 3.35Å; V1056-V1170 HydrophobicContact CG2-CB 3.95Å; V1056-V1170 PolarHBondContact N-O 3.06Å; V1056-V1170 PolarHBondContact O-N 3.13Å
1057	T	97.5	Very high	95.7	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	147.1	172.8	-179.9	0	0	0	0	110.9	P988 R989 G1059 L1060 M1156 A1168 S1169	P988-T1057 WeakPolarHBondContact CA-O 3.28Å; R989-T1057 HydrophobicContact CB-CG2 4.09Å; R989-T1057 PolarHBondContact N-O 3.18Å; R989-T1057 PolarHBondContact O-N 2.98Å; T1057-G1059 PolarHBondContact O-N 2.81Å; T1057-G1059 PolarHBondContact OG1-N 3.07Å; T1057-L1060 HydrophobicContact CG2-CD2 4.3Å; T1057-M1156 HydrophobicContact CG2-CG 3.79Å; T1057-M1156 HydrophobicContact CG2-SD 3.94Å; T1057-A1168 WeakPolarHBondContact CA-O 3.37Å; T1057-A1168 PolarHBondContact OG1-O 3.25Å; T1057-S1169 PolarHBondContact OG1-OG 2.96Å
1058	G	95.6	Very high	95.6	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.134	C	C	.	.	S	Bend	trans	-65.1	-23.1	172.1	0	0	0	0	0	113.1	L986 P988 A1168	L986-G1058 WeakPolarHBondContact CG-O 3.3Å; P988-G1058 WeakPolarHBondContact CA-O 3.44Å; P988-G1058 WeakPolarHBondContact CG-O 3.29Å; G1058-A1168 PolarHBondContact N-O 3.49Å
1059	G	94	Very high	95.4	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.122	C	C	.	.			trans	153.5	146.3	171.6	0	0	0	0	0	112.4	N987 T1057 E1061 P1166	N987-G1059 VanDerWaalsContact O-CA 3.3Å; N987-G1059 WeakPolarHBondContact O-CA 3.32Å; T1057-G1059 PolarHBondContact O-N 2.81Å; T1057-G1059 PolarHBondContact OG1-N 3.07Å; G1059-E1061 PolarHBondContact O-N 3.38Å; G1059-P1166 WeakPolarHBondContact O-CG 3.48Å
1060	L	94.4	Very high	94.8	Very high	56 Å²	56	24.5 Å²	24.5	29%	0.293	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-15.3	179	-61.2	-171	0	0	0	113.1	T1057 E1062 T1154 M1156 P1166	T1057-L1060 HydrophobicContact CG2-CD2 4.3Å; L1060-E1062 VanDerWaalsContact C-N 3.31Å; L1060-T1154 WeakPolarHBondContact CD1-O 3.25Å; L1060-M1156 HydrophobicContact CD2-CG 4.43Å; L1060-P1166 HydrophobicContact CD2-CG 3.83Å
1061	E	96.4	Very high	94.1	Very high	43 Å²	43	27.9 Å²	27.9	20%	0.201	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-4.2	-174.5	-55.7	78.7	-163	0	0	113.1	T985 L986 N987 R989 G1059 D1063 A1064 L1065	T985-E1061 WeakPolarHBondContact O-CB 3.4Å; T985-E1061 WeakPolarHBondContact O-CG 3.12Å; L986-E1061 HydrophobicContact CD1-CB 4.36Å; N987-E1061 PolarHBondContact N-OE2 2.79Å; R989-E1061 IonicContact CZ-OE1 2.79Å; R989-E1061 IonicContact NH2-OE1 3.39Å; R989-E1061 PolarHBondContact NH2-OE1 2.9Å; G1059-E1061 PolarHBondContact O-N 3.38Å; E1061-D1063 PolarHBondContact O-N 2.76Å; E1061-A1064 PolarHBondContact O-N 3.35Å; E1061-L1065 HydrophobicContact CB-CD1 4.35Å; E1061-L1065 WeakPolarHBondContact O-CG 3.07Å; E1061-L1065 PolarHBondContact O-N 2.78Å
1062	E	94.2	Very high	93.4	Very high	9 Å²	9	34.3 Å²	34.3	4%	0.042	20%	0.2	C	C	.	.	H	α-helix	trans	-47.9	-59.3	-176.3	-178	-169.1	-179.5	0	0	113.2	L1060 A1064 L1065 A1066 K1082 A1085 P1166 A1168	L1060-E1062 VanDerWaalsContact C-N 3.31Å; E1062-A1064 PolarHBondContact O-N 3.12Å; E1062-L1065 PolarHBondContact O-N 3.21Å; E1062-A1066 PolarHBondContact O-N 2.96Å; E1062-K1082 HydrophobicContact CG-CG 4.2Å; E1062-A1085 HydrophobicContact CB-CB 4.39Å; E1062-A1085 HydrophobicContact CG-CB 3.91Å; E1062-P1166 WeakPolarHBondContact OE2-CB 3.13Å; E1062-A1168 VanDerWaalsContact OE2-CB 3.25Å; E1062-A1168 WeakPolarHBondContact OE2-CB 3.29Å; E1062-A1168 PolarHBondContact OE2-N 3.3Å
1063	D	90.8	Very high	92.6	Very high	47 Å²	47	38.5 Å²	38.5	25%	0.251	22%	0.219	S	C	.	.	H	α-helix	trans	-64.8	-39.3	-175.6	-75.4	-34	0	0	0	111.5	E1061 L1065 A1066 D1067 K1082 W1165	E1061-D1063 PolarHBondContact O-N 2.76Å; D1063-L1065 VanDerWaalsContact C-N 3.33Å; D1063-L1065 PolarHBondContact O-N 2.83Å; D1063-A1066 PolarHBondContact O-N 3.02Å; D1063-D1067 WeakPolarHBondContact O-CB 3.47Å; D1063-D1067 PolarHBondContact O-N 3.1Å; D1063-K1082 IonicContact OD1-NZ 3.12Å; D1063-K1082 PolarHBondContact OD1-NZ 3.14Å; D1063-W1165 PolarHBondContact OD2-NE1 3.36Å
1064	A	92.8	Very high	92	Very high	67 Å²	67	39.5 Å²	39.5	55%	0.554	22%	0.224	S	C	*	.	H	α-helix	trans	-65.9	-36	179.1	0	0	0	0	0	112.5	E1061 E1062 A1068	E1061-A1064 PolarHBondContact O-N 3.35Å; E1062-A1064 PolarHBondContact O-N 3.12Å; A1064-A1068 WeakPolarHBondContact O-CB 3.42Å; A1064-A1068 PolarHBondContact O-N 3.27Å; A1064-A1068 VanDerWaalsContact O-N 3.12Å
1065	L	95.5	Very high	91.2	Very high	32 Å²	32	40 Å²	40	17%	0.168	23%	0.227	C	C	.	.	H	α-helix	trans	-69	-43.5	173.6	-70.3	168.7	0	0	0	111.3	L980 L986 E1061 E1062 D1063 A1068 F1069 V1081	L980-L1065 HydrophobicContact CD2-CD1 3.98Å; L986-L1065 HydrophobicContact CB-CD1 4.11Å; L986-L1065 HydrophobicContact CD1-CD1 4.2Å; E1061-L1065 HydrophobicContact CB-CD1 4.35Å; E1061-L1065 WeakPolarHBondContact O-CG 3.07Å; E1061-L1065 PolarHBondContact O-N 2.78Å; E1062-L1065 PolarHBondContact O-N 3.21Å; D1063-L1065 VanDerWaalsContact C-N 3.33Å; D1063-L1065 PolarHBondContact O-N 2.83Å; L1065-A1068 PolarHBondContact O-N 2.84Å; L1065-F1069 WeakPolarHBondContact O-CD2 3.39Å; L1065-F1069 PolarHBondContact O-N 3.1Å; L1065-F1069 VanDerWaalsContact O-N 3.13Å; L1065-V1081 HydrophobicContact CB-CG1 4.38Å; L1065-V1081 HydrophobicContact CB-CG2 4Å; L1065-V1081 HydrophobicContact CD1-CG2 3.97Å
1066	A	92.6	Very high	90.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-61.4	-45.4	177.1	0	0	0	0	0	111.7	E1062 D1063 A1068 F1069 E1070 K1078 V1081 K1082	E1062-A1066 PolarHBondContact O-N 2.96Å; D1063-A1066 PolarHBondContact O-N 3.02Å; A1066-A1068 VanDerWaalsContact C-N 3.3Å; A1066-A1068 PolarHBondContact O-N 3.36Å; A1066-F1069 PolarHBondContact O-N 2.8Å; A1066-E1070 PolarHBondContact O-N 3.45Å; A1066-K1078 HydrophobicContact CB-CG 4.04Å; A1066-V1081 HydrophobicContact CB-CG1 4.09Å; A1066-K1082 HydrophobicContact CB-CD 4.34Å; A1066-K1082 VanDerWaalsContact CB-CE 3.5Å; A1066-K1082 HydrophobicContact CB-CG 4.12Å
1067	D	89.9	Confident	90.4	Very high	94 Å²	94	41.8 Å²	41.8	50%	0.503	24%	0.236	S	C	.	.	H	α-helix	trans	-62.2	-36.9	176.5	-71.3	-10	0	0	0	111.7	D1063 E1070 A1071	D1063-D1067 WeakPolarHBondContact O-CB 3.47Å; D1063-D1067 PolarHBondContact O-N 3.1Å; D1067-E1070 PolarHBondContact O-N 2.73Å; D1067-A1071 WeakPolarHBondContact O-CB 3.39Å; D1067-A1071 PolarHBondContact O-N 2.76Å
1068	A	91.8	Very high	90.2	Very high	45 Å²	45	42.2 Å²	42.2	37%	0.372	24%	0.238	S	C	.	.	H	α-helix	trans	-66.9	-36.4	176.9	0	0	0	0	0	112.7	A1064 L1065 A1066 Q1072	A1064-A1068 WeakPolarHBondContact O-CB 3.42Å; A1064-A1068 PolarHBondContact O-N 3.27Å; A1064-A1068 VanDerWaalsContact O-N 3.12Å; L1065-A1068 PolarHBondContact O-N 2.84Å; A1066-A1068 VanDerWaalsContact C-N 3.3Å; A1066-A1068 PolarHBondContact O-N 3.36Å; A1068-Q1072 WeakPolarHBondContact O-CG 3.41Å; A1068-Q1072 PolarHBondContact O-NE2 3.34Å
1069	F	91.4	Very high	90	Very high	32 Å²	32	42.3 Å²	42.3	14%	0.14	24%	0.238	C	C	.	.	H	α-helix	trans	-71.6	-38.7	172	-73.6	-60	0	0	0	111.8	M976 L1065 A1066 A1071 Q1072 H1073 D1074 N1077 K1078 V1081	M976-F1069 HydrophobicContact CE-CE2 4.44Å; M976-F1069 HydrophobicContact CE-CZ 4.21Å; L1065-F1069 WeakPolarHBondContact O-CD2 3.39Å; L1065-F1069 PolarHBondContact O-N 3.1Å; L1065-F1069 VanDerWaalsContact O-N 3.13Å; A1066-F1069 PolarHBondContact O-N 2.8Å; F1069-A1071 PolarHBondContact O-N 2.98Å; F1069-Q1072 CarbonylContact O-C 3.54Å; F1069-Q1072 WeakPolarHBondContact O-CA 3.39Å; F1069-Q1072 PolarHBondContact O-N 3.18Å; F1069-Q1072 VanDerWaalsContact O-N 3.08Å; F1069-H1073 PolarHBondContact O-N 2.96Å; F1069-D1074 HydrophobicContact CB-CB 4.33Å; F1069-D1074 HydrophobicContact CD1-CB 4.3Å; F1069-D1074 PolarHBondContact O-N 3.23Å; F1069-N1077 HydrophobicContact CB-CB 4.38Å; F1069-N1077 HydrophobicContact CD1-CB 3.41Å; F1069-N1077 VanDerWaalsContact CD1-CB 3.41Å; F1069-N1077 HydrophobicContact CD2-CB 3.91Å; F1069-N1077 HydrophobicContact CE1-CB 3.47Å; F1069-N1077 VanDerWaalsContact CE1-CB 3.47Å; F1069-N1077 HydrophobicContact CE2-CB 3.96Å; F1069-N1077 HydrophobicContact CG-CB 3.65Å; F1069-N1077 HydrophobicContact CZ-CB 3.76Å; F1069-K1078 HydrophobicContact CB-CB 4.08Å; F1069-V1081 HydrophobicContact CD2-CG1 4.19Å; F1069-V1081 HydrophobicContact CE2-CB 4.3Å; F1069-V1081 HydrophobicContact CE2-CG1 4.36Å
1070	E	86.4	Confident	90.1	Very high	80 Å²	80	42.3 Å²	42.3	37%	0.374	24%	0.238	S	C	.	.	H	α-helix	trans	-60.7	-43.8	175	-177.9	159.9	-145.6	0	0	112.5	A1066 D1067 Q1072 H1073 K1078	A1066-E1070 PolarHBondContact O-N 3.45Å; D1067-E1070 PolarHBondContact O-N 2.73Å; E1070-Q1072 PolarHBondContact O-N 3.24Å; E1070-Q1072 VanDerWaalsContact O-N 3.15Å; E1070-H1073 WeakPolarHBondContact O-CA 3.46Å; E1070-H1073 PolarHBondContact O-N 2.84Å; E1070-K1078 HydrophobicContact CB-CD 4.08Å; E1070-K1078 IonicContact OE1-NZ 3.57Å; E1070-K1078 PolarHBondContact OE1-NZ 3.41Å; E1070-K1078 WeakPolarHBondContact OE2-CE 3.49Å; E1070-K1078 IonicContact OE2-NZ 3.59Å; E1070-K1078 PolarHBondContact OE2-NZ 2.94Å
1071	A	82.9	Confident	90.2	Very high	80 Å²	80	39.6 Å²	39.6	66%	0.661	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-19.1	175.8	0	0	0	0	0	113.3	D1067 F1069	D1067-A1071 WeakPolarHBondContact O-CB 3.39Å; D1067-A1071 PolarHBondContact O-N 2.76Å; F1069-A1071 PolarHBondContact O-N 2.98Å
1072	Q	83.8	Confident	90	Very high	135 Å²	135	38 Å²	38	63%	0.631	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.6	6.5	173.9	-66.6	169.5	59.3	0	0	112.5	A1068 F1069 E1070 D1074	A1068-Q1072 WeakPolarHBondContact O-CG 3.41Å; A1068-Q1072 PolarHBondContact O-NE2 3.34Å; F1069-Q1072 CarbonylContact O-C 3.54Å; F1069-Q1072 WeakPolarHBondContact O-CA 3.39Å; F1069-Q1072 PolarHBondContact O-N 3.18Å; F1069-Q1072 VanDerWaalsContact O-N 3.08Å; E1070-Q1072 PolarHBondContact O-N 3.24Å; E1070-Q1072 VanDerWaalsContact O-N 3.15Å; Q1072-D1074 PolarHBondContact O-N 3.36Å
1073	H	81.6	Confident	90.1	Very high	88 Å²	88	37.6 Å²	37.6	41%	0.407	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	27.8	-174.2	-51.7	-69	0	0	0	114.2	K719 F1069 E1070 D1075	K719-H1073 HydrophobicContact CB-CB 3.98Å; K719-H1073 HydrophobicContact CD-CB 4.24Å; F1069-H1073 PolarHBondContact O-N 2.96Å; E1070-H1073 WeakPolarHBondContact O-CA 3.46Å; E1070-H1073 PolarHBondContact O-N 2.84Å; H1073-D1075 PolarHBondContact O-N 3.35Å
1074	D	84.1	Confident	90.4	Very high	21 Å²	21	35.4 Å²	35.4	11%	0.112	20%	0.203	C	C	.	.			trans	-101.4	68.6	-177.9	-166.3	-4.8	0	0	0	111.5	R716 F1069 Q1072 Y1076 N1077 K1078	R716-D1074 VanDerWaalsContact CD-OD1 3.22Å; R716-D1074 WeakPolarHBondContact CD-OD1 3.37Å; R716-D1074 IonicContact NH1-OD1 2.83Å; R716-D1074 PolarHBondContact NH1-OD1 3.41Å; F1069-D1074 HydrophobicContact CB-CB 4.33Å; F1069-D1074 HydrophobicContact CD1-CB 4.3Å; F1069-D1074 PolarHBondContact O-N 3.23Å; Q1072-D1074 PolarHBondContact O-N 3.36Å; D1074-Y1076 PolarHBondContact O-N 3Å; D1074-Y1076 VanDerWaalsContact O-N 3.15Å; D1074-N1077 PolarHBondContact O-N 3.29Å; D1074-N1077 PolarHBondContact OD1-N 3.44Å; D1074-N1077 PolarHBondContact OD2-ND2 3.38Å; D1074-K1078 PolarHBondContact O-N 3.03Å
1075	D	83.1	Confident	90.6	Very high	10 Å²	10	32.2 Å²	32.2	5%	0.053	18%	0.177	C	C	.	.	H	α-helix	trans	-59.1	-28.5	-179.4	-58.9	-68.5	0	0	0	112.6	V712 K719 V761 H1073 K1078 I1079	V712-D1075 HydrophobicContact CG1-CB 4.25Å; K719-D1075 WeakPolarHBondContact CD-OD2 3.31Å; K719-D1075 VanDerWaalsContact CE-OD2 3.31Å; K719-D1075 WeakPolarHBondContact CE-OD2 3.43Å; K719-D1075 VanDerWaalsContact NZ-CG 3.28Å; K719-D1075 IonicContact NZ-OD1 3.57Å; K719-D1075 PolarHBondContact NZ-OD1 3.34Å; K719-D1075 VanDerWaalsContact NZ-OD1 3.17Å; K719-D1075 IonicContact NZ-OD2 3.96Å; K719-D1075 PolarHBondContact NZ-OD2 2.95Å; V761-D1075 HydrophobicContact CG2-CB 3.89Å; H1073-D1075 PolarHBondContact O-N 3.35Å; D1075-K1078 PolarHBondContact O-N 3.27Å; D1075-I1079 WeakPolarHBondContact O-CB 3.46Å; D1075-I1079 WeakPolarHBondContact O-CG1 3.41Å; D1075-I1079 PolarHBondContact O-N 3.08Å
1076	Y	87.9	Confident	90.6	Very high	5 Å²	5	32.8 Å²	32.8	2%	0.02	18%	0.18	C	C	.	.	H	α-helix	trans	-59.9	-53.5	176.9	-179.5	-99.2	0	0	0	110.9	P709 V712 K713 W947 L969 D972 D1074 I1079 M1080	P709-Y1076 HydrophobicContact CB-CE2 4.49Å; V712-Y1076 HydrophobicContact CB-CD2 4.42Å; V712-Y1076 VanDerWaalsContact CG1-CA 3.48Å; V712-Y1076 HydrophobicContact CG1-CD2 4.18Å; K713-Y1076 HydrophobicContact CD-CE2 4.4Å; K713-Y1076 VanDerWaalsContact CE-CZ 3.43Å; K713-Y1076 HydrophobicContact CG-CD2 3.75Å; K713-Y1076 HydrophobicContact CG-CE2 4.08Å; K713-Y1076 HydrophobicContact CG-CG 4.06Å; W947-Y1076 AromaticContact CH2-CD2 3.67Å; W947-Y1076 HydrophobicContact CH2-CD2 3.67Å; W947-Y1076 AromaticContact CH2-CE2 3.61Å; W947-Y1076 HydrophobicContact CH2-CE2 3.61Å; W947-Y1076 HydrophobicContact CZ2-CE2 4.31Å; W947-Y1076 HydrophobicContact CZ3-CD2 4.03Å; W947-Y1076 AromaticContact CZ3-CE2 3.97Å; W947-Y1076 HydrophobicContact CZ3-CE2 3.97Å; L969-Y1076 HydrophobicContact CD1-CE2 4.32Å; L969-Y1076 WeakPolarHBondContact CD1-OH 3.36Å; D972-Y1076 HydrophobicContact CB-CE1 4.4Å; D972-Y1076 WeakPolarHBondContact CB-OH 3.4Å; D972-Y1076 PolarHBondContact OD2-OH 3.09Å; D1074-Y1076 PolarHBondContact O-N 3Å; D1074-Y1076 VanDerWaalsContact O-N 3.15Å; Y1076-I1079 PolarHBondContact O-N 3.13Å; Y1076-M1080 HydrophobicContact CE1-CE 4.03Å; Y1076-M1080 HydrophobicContact CE2-CE 4.5Å; Y1076-M1080 WeakPolarHBondContact O-CB 3.25Å; Y1076-M1080 PolarHBondContact O-N 2.96Å; Y1076-M1080 WeakPolarHBondContact OH-CE 3.31Å
1077	N	92.6	Very high	90.8	Very high	33 Å²	33	33.9 Å²	33.9	18%	0.176	18%	0.184	C	C	.	.	H	α-helix	trans	-75	-26.9	179.3	-74.4	-36.7	0	0	0	112.8	M976 F1069 D1074 M1080 V1081	M976-N1077 HydrophobicContact CE-CB 3.8Å; M976-N1077 WeakPolarHBondContact CE-OD1 3.35Å; F1069-N1077 HydrophobicContact CB-CB 4.38Å; F1069-N1077 HydrophobicContact CD1-CB 3.41Å; F1069-N1077 VanDerWaalsContact CD1-CB 3.41Å; F1069-N1077 HydrophobicContact CD2-CB 3.91Å; F1069-N1077 HydrophobicContact CE1-CB 3.47Å; F1069-N1077 VanDerWaalsContact CE1-CB 3.47Å; F1069-N1077 HydrophobicContact CE2-CB 3.96Å; F1069-N1077 HydrophobicContact CG-CB 3.65Å; F1069-N1077 HydrophobicContact CZ-CB 3.76Å; D1074-N1077 PolarHBondContact O-N 3.29Å; D1074-N1077 PolarHBondContact OD1-N 3.44Å; D1074-N1077 PolarHBondContact OD2-ND2 3.38Å; N1077-M1080 PolarHBondContact O-N 3.1Å; N1077-V1081 WeakPolarHBondContact O-CG1 3.4Å; N1077-V1081 PolarHBondContact O-N 3.32Å
1078	K	92.2	Very high	91.2	Very high	9 Å²	9	29.4 Å²	29.4	4%	0.039	16%	0.161	C	C	.	.	H	α-helix	trans	-57.6	-47.9	168.4	-179.7	-170.6	178.8	169.4	0	111.6	A1066 F1069 E1070 D1074 D1075 V1081	A1066-K1078 HydrophobicContact CB-CG 4.04Å; F1069-K1078 HydrophobicContact CB-CB 4.08Å; E1070-K1078 HydrophobicContact CB-CD 4.08Å; E1070-K1078 IonicContact OE1-NZ 3.57Å; E1070-K1078 PolarHBondContact OE1-NZ 3.41Å; E1070-K1078 WeakPolarHBondContact OE2-CE 3.49Å; E1070-K1078 IonicContact OE2-NZ 3.59Å; E1070-K1078 PolarHBondContact OE2-NZ 2.94Å; D1074-K1078 PolarHBondContact O-N 3.03Å; D1075-K1078 PolarHBondContact O-N 3.27Å; K1078-V1081 WeakPolarHBondContact O-CG1 2.96Å
1079	I	91.9	Very high	91.5	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.01	14%	0.143	C	C	.	.	H	α-helix	trans	-72.2	-41.4	178.5	-67.4	164.8	0	0	0	110.5	V712 I754 N757 I758 W947 D1075 Y1076 V1081 K1082 A1083	V712-I1079 HydrophobicContact CG1-CD1 4.18Å; V712-I1079 HydrophobicContact CG2-CD1 4.37Å; I754-I1079 HydrophobicContact CG2-CG2 4.29Å; N757-I1079 HydrophobicContact CB-CG1 4.47Å; I758-I1079 HydrophobicContact CG1-CD1 3.86Å; I758-I1079 HydrophobicContact CG1-CG2 4.46Å; W947-I1079 HydrophobicContact CH2-CB 4.09Å; W947-I1079 HydrophobicContact CH2-CG2 3.79Å; W947-I1079 HydrophobicContact CZ2-CB 4.32Å; W947-I1079 HydrophobicContact CZ2-CG2 3.74Å; W947-I1079 HydrophobicContact CZ3-CG2 4.32Å; D1075-I1079 WeakPolarHBondContact O-CB 3.46Å; D1075-I1079 WeakPolarHBondContact O-CG1 3.41Å; D1075-I1079 PolarHBondContact O-N 3.08Å; Y1076-I1079 PolarHBondContact O-N 3.13Å; I1079-V1081 PolarHBondContact O-N 2.66Å; I1079-K1082 PolarHBondContact O-N 3.49Å; I1079-A1083 WeakPolarHBondContact O-CB 3.32Å; I1079-A1083 PolarHBondContact O-N 3.2Å
1080	M	95.4	Very high	91.8	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-57.8	-48	179.2	-176.1	65.1	79.2	0	0	112.3	F943 W947 L969 D972 A973 M976 Y1076 N1077 K1082 A1083 L1084	F943-M1080 HydrophobicContact CE2-SD 3.78Å; F943-M1080 HydrophobicContact CZ-CE 4.28Å; F943-M1080 HydrophobicContact CZ-SD 3.72Å; W947-M1080 HydrophobicContact CZ2-CB 4.33Å; W947-M1080 HydrophobicContact CZ2-CE 4.14Å; W947-M1080 HydrophobicContact CZ2-SD 4.42Å; L969-M1080 HydrophobicContact CD1-CE 3.55Å; D972-M1080 HydrophobicContact CB-CE 4.01Å; A973-M1080 HydrophobicContact CB-CE 4.36Å; A973-M1080 HydrophobicContact CB-SD 3.89Å; M976-M1080 HydrophobicContact CE-CB 3.98Å; M976-M1080 HydrophobicContact CE-CG 3.73Å; M976-M1080 HydrophobicContact SD-CB 4Å; M976-M1080 HydrophobicContact SD-CG 3.47Å; M976-M1080 WeakPolarHBondContact SD-CG 3.49Å; Y1076-M1080 HydrophobicContact CE1-CE 4.03Å; Y1076-M1080 HydrophobicContact CE2-CE 4.5Å; Y1076-M1080 WeakPolarHBondContact O-CB 3.25Å; Y1076-M1080 PolarHBondContact O-N 2.96Å; Y1076-M1080 WeakPolarHBondContact OH-CE 3.31Å; N1077-M1080 PolarHBondContact O-N 3.1Å; M1080-K1082 VanDerWaalsContact C-N 3.35Å; M1080-K1082 PolarHBondContact O-N 3.49Å; M1080-A1083 PolarHBondContact O-N 2.92Å; M1080-L1084 HydrophobicContact CG-CD1 4Å; M1080-L1084 HydrophobicContact CG-CG 4.44Å; M1080-L1084 WeakPolarHBondContact O-CB 3.36Å; M1080-L1084 WeakPolarHBondContact O-CG 3.29Å; M1080-L1084 PolarHBondContact O-N 2.98Å; M1080-L1084 HydrophobicContact SD-CD1 4.23Å; M1080-L1084 HydrophobicContact SD-CG 4.26Å
1081	V	96.1	Very high	92.3	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-65.1	-39.1	-177.5	72.3	0	0	0	0	111.9	M976 L980 L1065 A1066 F1069 N1077 K1078 I1079 L1084 A1085	M976-V1081 HydrophobicContact SD-CB 4.06Å; L980-V1081 HydrophobicContact CD1-CG2 4.36Å; L1065-V1081 HydrophobicContact CB-CG1 4.38Å; L1065-V1081 HydrophobicContact CB-CG2 4Å; L1065-V1081 HydrophobicContact CD1-CG2 3.97Å; A1066-V1081 HydrophobicContact CB-CG1 4.09Å; F1069-V1081 HydrophobicContact CD2-CG1 4.19Å; F1069-V1081 HydrophobicContact CE2-CB 4.3Å; F1069-V1081 HydrophobicContact CE2-CG1 4.36Å; N1077-V1081 WeakPolarHBondContact O-CG1 3.4Å; N1077-V1081 PolarHBondContact O-N 3.32Å; K1078-V1081 WeakPolarHBondContact O-CG1 2.96Å; I1079-V1081 PolarHBondContact O-N 2.66Å; V1081-L1084 PolarHBondContact O-N 2.93Å; V1081-A1085 WeakPolarHBondContact O-CB 3.25Å; V1081-A1085 PolarHBondContact O-N 3.39Å
1082	K	94.1	Very high	93	Very high	9 Å²	9	20.6 Å²	20.6	4%	0.039	10%	0.098	C	C	.	.	H	α-helix	trans	-65.8	-44.4	175.1	-68.6	-164.8	169	-156.4	0	111.9	D753 I754 E1062 D1063 A1066 I1079 M1080 L1084 A1085 D1086	D753-K1082 IonicContact OD1-NZ 3.19Å; D753-K1082 PolarHBondContact OD1-NZ 3.26Å; D753-K1082 IonicContact OD2-NZ 2.68Å; D753-K1082 PolarHBondContact OD2-NZ 3.22Å; I754-K1082 HydrophobicContact CD1-CB 3.96Å; I754-K1082 HydrophobicContact CG1-CB 3.97Å; I754-K1082 HydrophobicContact CG1-CD 4.34Å; E1062-K1082 HydrophobicContact CG-CG 4.2Å; D1063-K1082 IonicContact OD1-NZ 3.12Å; D1063-K1082 PolarHBondContact OD1-NZ 3.14Å; A1066-K1082 HydrophobicContact CB-CD 4.34Å; A1066-K1082 VanDerWaalsContact CB-CE 3.5Å; A1066-K1082 HydrophobicContact CB-CG 4.12Å; I1079-K1082 PolarHBondContact O-N 3.49Å; M1080-K1082 VanDerWaalsContact C-N 3.35Å; M1080-K1082 PolarHBondContact O-N 3.49Å; K1082-L1084 PolarHBondContact O-N 3.2Å; K1082-A1085 PolarHBondContact O-N 2.99Å; K1082-D1086 PolarHBondContact O-N 2.98Å
1083	A	94.7	Very high	93.7	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.008	7%	0.068	C	C	.	.	H	α-helix	trans	-62.2	-41.7	177	0	0	0	0	0	112	F943 T946 I1079 M1080 R1087	F943-A1083 HydrophobicContact CD2-CB 4.16Å; F943-A1083 HydrophobicContact CE2-CB 4.16Å; T946-A1083 HydrophobicContact CG2-CB 4.35Å; I1079-A1083 WeakPolarHBondContact O-CB 3.32Å; I1079-A1083 PolarHBondContact O-N 3.2Å; M1080-A1083 PolarHBondContact O-N 2.92Å; A1083-R1087 WeakPolarHBondContact O-CG 3.42Å; A1083-R1087 PolarHBondContact O-N 3.18Å; A1083-R1087 VanDerWaalsContact O-N 3.14Å
1084	L	97.8	Very high	94.5	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-67.2	-41.8	175.8	-75.3	175.7	0	0	0	112.5	W940 F943 A973 M976 L977 M1080 V1081 K1082 D1086 R1087 L1088	W940-L1084 HydrophobicContact CH2-CD2 4.24Å; W940-L1084 HydrophobicContact CZ3-CD2 4.17Å; F943-L1084 HydrophobicContact CE2-CD2 4.26Å; A973-L1084 HydrophobicContact CB-CD2 4.08Å; M976-L1084 HydrophobicContact CB-CD1 3.83Å; M976-L1084 HydrophobicContact CG-CD1 3.77Å; M976-L1084 HydrophobicContact SD-CD1 3.82Å; L977-L1084 HydrophobicContact CD1-CD2 4.07Å; L977-L1084 HydrophobicContact CD2-CB 4.41Å; L977-L1084 HydrophobicContact CD2-CD1 4.22Å; L977-L1084 HydrophobicContact CD2-CD2 4.01Å; L977-L1084 HydrophobicContact CD2-CG 4.46Å; L977-L1084 HydrophobicContact CG-CD1 4.1Å; L977-L1084 HydrophobicContact CG-CD2 3.87Å; M1080-L1084 HydrophobicContact CG-CD1 4Å; M1080-L1084 HydrophobicContact CG-CG 4.44Å; M1080-L1084 WeakPolarHBondContact O-CB 3.36Å; M1080-L1084 WeakPolarHBondContact O-CG 3.29Å; M1080-L1084 PolarHBondContact O-N 2.98Å; M1080-L1084 HydrophobicContact SD-CD1 4.23Å; M1080-L1084 HydrophobicContact SD-CG 4.26Å; V1081-L1084 PolarHBondContact O-N 2.93Å; K1082-L1084 PolarHBondContact O-N 3.2Å; L1084-D1086 VanDerWaalsContact C-N 3.32Å; L1084-D1086 PolarHBondContact O-N 2.87Å; L1084-R1087 PolarHBondContact O-N 2.84Å; L1084-L1088 VanDerWaalsContact O-CG 3.31Å; L1084-L1088 WeakPolarHBondContact O-CG 3.36Å; L1084-L1088 PolarHBondContact O-N 2.92Å
1085	A	97.3	Very high	95.1	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-59.3	-44.1	176.3	0	0	0	0	0	111.3	L986 E1062 V1081 K1082 L1088 A1089 A1168	L986-A1085 HydrophobicContact CD2-CB 4.26Å; E1062-A1085 HydrophobicContact CB-CB 4.39Å; E1062-A1085 HydrophobicContact CG-CB 3.91Å; V1081-A1085 WeakPolarHBondContact O-CB 3.25Å; V1081-A1085 PolarHBondContact O-N 3.39Å; K1082-A1085 PolarHBondContact O-N 2.99Å; A1085-L1088 PolarHBondContact O-N 3.44Å; A1085-A1089 PolarHBondContact O-N 3.01Å; A1085-A1168 HydrophobicContact CB-CB 3.62Å
1086	D	95.7	Very high	95.8	Very high	45 Å²	45	10.9 Å²	10.9	24%	0.241	5%	0.051	C	C	.	.	H	α-helix	trans	-60.1	-45.6	176.1	176.7	76	0	0	0	112.1	K1082 L1084 L1088 A1089 E1090 A1168	K1082-D1086 PolarHBondContact O-N 2.98Å; L1084-D1086 VanDerWaalsContact C-N 3.32Å; L1084-D1086 PolarHBondContact O-N 2.87Å; D1086-L1088 VanDerWaalsContact C-N 3.34Å; D1086-L1088 PolarHBondContact O-N 3.41Å; D1086-A1089 WeakPolarHBondContact O-CB 3.2Å; D1086-A1089 PolarHBondContact O-N 3.13Å; D1086-E1090 PolarHBondContact O-N 3.34Å; D1086-A1168 HydrophobicContact CB-CB 4.41Å
1087	R	96.7	Very high	96.3	Very high	23 Å²	23	10.6 Å²	10.6	9%	0.087	5%	0.05	C	C	.	.	H	α-helix	trans	-62.1	-39.5	174.3	-67.4	-55.6	86.1	-159.3	-0.9	113	I938 D939 P942 F943 A1083 L1084 A1089 E1090 A1091	I938-R1087 HydrophobicContact CG2-CB 4.1Å; I938-R1087 HydrophobicContact CG2-CG 4.42Å; D939-R1087 WeakPolarHBondContact O-CD 3.36Å; D939-R1087 PolarHBondContact O-NH1 2.88Å; P942-R1087 VanDerWaalsContact CB-NH1 3.34Å; P942-R1087 VanDerWaalsContact CG-NH1 3.31Å; F943-R1087 HydrophobicContact CB-CG 3.89Å; F943-R1087 HydrophobicContact CD2-CG 4.33Å; A1083-R1087 WeakPolarHBondContact O-CG 3.42Å; A1083-R1087 PolarHBondContact O-N 3.18Å; A1083-R1087 VanDerWaalsContact O-N 3.14Å; L1084-R1087 PolarHBondContact O-N 2.84Å; R1087-A1089 VanDerWaalsContact C-N 3.32Å; R1087-E1090 PolarHBondContact O-N 2.83Å; R1087-A1091 VanDerWaalsContact O-CB 3.24Å; R1087-A1091 WeakPolarHBondContact O-CB 3.23Å; R1087-A1091 PolarHBondContact O-N 3.24Å
1088	L	98.2	Very high	96.5	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-65.1	-36	175.9	-72.5	170.9	0	0	0	111.8	I931 L934 I938 L977 L986 L1084 A1085 D1086 F1092	I931-L1088 HydrophobicContact CD1-CD1 4.35Å; I931-L1088 HydrophobicContact CG1-CD1 4.16Å; I931-L1088 HydrophobicContact CG2-CD2 4.33Å; L934-L1088 HydrophobicContact CB-CD2 3.91Å; L934-L1088 HydrophobicContact CD1-CD2 4.3Å; I938-L1088 HydrophobicContact CD1-CD2 4.35Å; L977-L1088 HydrophobicContact CD2-CD1 4.11Å; L977-L1088 HydrophobicContact CD2-CD2 4.38Å; L977-L1088 HydrophobicContact CD2-CG 4.42Å; L986-L1088 HydrophobicContact CD2-CD1 3.77Å; L1084-L1088 VanDerWaalsContact O-CG 3.31Å; L1084-L1088 WeakPolarHBondContact O-CG 3.36Å; L1084-L1088 PolarHBondContact O-N 2.92Å; A1085-L1088 PolarHBondContact O-N 3.44Å; D1086-L1088 VanDerWaalsContact C-N 3.34Å; D1086-L1088 PolarHBondContact O-N 3.41Å; L1088-F1092 VanDerWaalsContact O-CB 3.27Å; L1088-F1092 WeakPolarHBondContact O-CB 3.47Å; L1088-F1092 PolarHBondContact O-N 3.16Å
1089	A	97.7	Very high	96.7	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-64.4	-45.8	176.4	0	0	0	0	0	112	V1056 A1085 D1086 R1087 F1092 A1093 A1168 V1170	V1056-A1089 WeakPolarHBondContact CG2-O 3.34Å; A1085-A1089 PolarHBondContact O-N 3.01Å; D1086-A1089 WeakPolarHBondContact O-CB 3.2Å; D1086-A1089 PolarHBondContact O-N 3.13Å; R1087-A1089 VanDerWaalsContact C-N 3.32Å; A1089-F1092 PolarHBondContact O-N 3.31Å; A1089-A1093 PolarHBondContact O-N 3.36Å; A1089-A1168 WeakPolarHBondContact CB-O 3.49Å; A1089-V1170 HydrophobicContact CB-CG2 4.12Å
1090	E	96.9	Very high	97	Very high	50 Å²	50	13.3 Å²	13.3	23%	0.234	6%	0.058	C	C	.	.	H	α-helix	trans	-66.5	-43	176.1	-73	-70.6	-170.8	0	0	112.5	D1086 R1087 F1092 A1093 E1094 R1127 V1170	D1086-E1090 PolarHBondContact O-N 3.34Å; R1087-E1090 PolarHBondContact O-N 2.83Å; E1090-F1092 VanDerWaalsContact C-N 3.26Å; E1090-F1092 PolarHBondContact O-N 3.33Å; E1090-A1093 WeakPolarHBondContact O-CB 3.5Å; E1090-A1093 PolarHBondContact O-N 3.26Å; E1090-A1093 VanDerWaalsContact O-N 3.14Å; E1090-E1094 PolarHBondContact O-N 3.32Å; E1090-R1127 IonicContact OE2-NH1 2.76Å; E1090-V1170 HydrophobicContact CG-CG2 4.28Å
1091	A	97.9	Very high	97.1	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.008	6%	0.058	C	C	.	.	H	α-helix	trans	-60.7	-37.2	174.5	0	0	0	0	0	111.7	L934 I938 R1087 E1094 Y1095	L934-A1091 HydrophobicContact CB-CB 4.4Å; I938-A1091 HydrophobicContact CG1-CB 3.79Å; R1087-A1091 VanDerWaalsContact O-CB 3.24Å; R1087-A1091 WeakPolarHBondContact O-CB 3.23Å; R1087-A1091 PolarHBondContact O-N 3.24Å; A1091-E1094 PolarHBondContact O-N 3.44Å; A1091-Y1095 WeakPolarHBondContact O-CB 3.28Å; A1091-Y1095 PolarHBondContact O-N 2.94Å
1092	F	98.4	Very high	97.1	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-68.8	-39.2	174.8	-160.2	174.1	0	0	0	111.6	V927 A929 L934 P988 V1056 L1088 A1089 E1090 E1094 Y1095 L1096	V927-F1092 HydrophobicContact CB-CZ 4.46Å; V927-F1092 HydrophobicContact CG1-CE2 4.08Å; V927-F1092 HydrophobicContact CG1-CZ 4.24Å; V927-F1092 WeakPolarHBondContact O-CZ 3.47Å; A929-F1092 HydrophobicContact CB-CD2 4.04Å; A929-F1092 HydrophobicContact CB-CE1 4.24Å; A929-F1092 HydrophobicContact CB-CE2 3.63Å; A929-F1092 HydrophobicContact CB-CZ 3.74Å; L934-F1092 HydrophobicContact CD1-CB 3.89Å; L934-F1092 HydrophobicContact CD1-CD1 4.21Å; L934-F1092 HydrophobicContact CD1-CG 4.07Å; L934-F1092 HydrophobicContact CD2-CB 3.86Å; L934-F1092 HydrophobicContact CD2-CD2 3.93Å; L934-F1092 HydrophobicContact CD2-CG 3.99Å; P988-F1092 HydrophobicContact CB-CD1 3.91Å; P988-F1092 HydrophobicContact CB-CE1 4.03Å; V1056-F1092 HydrophobicContact CB-CB 4.18Å; V1056-F1092 HydrophobicContact CB-CD1 3.89Å; V1056-F1092 HydrophobicContact CB-CG 4Å; V1056-F1092 HydrophobicContact CG1-CB 4.41Å; V1056-F1092 HydrophobicContact CG1-CD1 4.03Å; V1056-F1092 HydrophobicContact CG1-CD2 4.14Å; V1056-F1092 HydrophobicContact CG1-CE1 4.37Å; V1056-F1092 HydrophobicContact CG1-CE2 4.43Å; V1056-F1092 HydrophobicContact CG1-CG 3.91Å; V1056-F1092 HydrophobicContact CG2-CB 4.28Å; L1088-F1092 VanDerWaalsContact O-CB 3.27Å; L1088-F1092 WeakPolarHBondContact O-CB 3.47Å; L1088-F1092 PolarHBondContact O-N 3.16Å; A1089-F1092 PolarHBondContact O-N 3.31Å; E1090-F1092 VanDerWaalsContact C-N 3.26Å; E1090-F1092 PolarHBondContact O-N 3.33Å; F1092-E1094 VanDerWaalsContact C-N 3.3Å; F1092-E1094 PolarHBondContact O-N 2.97Å; F1092-Y1095 AromaticContact CD2-CD1 3.89Å; F1092-Y1095 HydrophobicContact CD2-CD1 3.89Å; F1092-Y1095 AromaticContact CE2-CD1 3.93Å; F1092-Y1095 HydrophobicContact CE2-CD1 3.93Å; F1092-Y1095 HydrophobicContact CE2-CE1 4.35Å; F1092-Y1095 PolarHBondContact O-N 3.47Å; F1092-L1096 HydrophobicContact CD2-CB 4.35Å; F1092-L1096 WeakPolarHBondContact O-CB 3.21Å; F1092-L1096 PolarHBondContact O-N 3.46Å
1093	A	97.9	Very high	97.2	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-61.4	-40	175.9	0	0	0	0	0	111.8	F1054 V1056 A1089 E1090 H1097 V1170	F1054-A1093 HydrophobicContact CE2-CB 3.69Å; F1054-A1093 HydrophobicContact CZ-CB 4.19Å; V1056-A1093 HydrophobicContact CG2-CB 3.95Å; A1089-A1093 PolarHBondContact O-N 3.36Å; E1090-A1093 WeakPolarHBondContact O-CB 3.5Å; E1090-A1093 PolarHBondContact O-N 3.26Å; E1090-A1093 VanDerWaalsContact O-N 3.14Å; A1093-H1097 WeakPolarHBondContact O-CB 3.41Å; A1093-H1097 PolarHBondContact O-N 2.88Å; A1093-V1170 HydrophobicContact CB-CB 4.26Å; A1093-V1170 HydrophobicContact CB-CG1 4.07Å
1094	E	97.4	Very high	97.3	Very high	11 Å²	11	18.2 Å²	18.2	5%	0.051	8%	0.082	C	C	.	.	H	α-helix	trans	-70	-48.7	175.3	-169.6	54	-130.6	0	0	112.4	Y937 E1090 A1091 F1092 L1096 H1097 E1098 R1101 L1118 Y1123 R1127	Y937-E1094 HydrophobicContact CD1-CG 4.28Å; E1090-E1094 PolarHBondContact O-N 3.32Å; A1091-E1094 PolarHBondContact O-N 3.44Å; F1092-E1094 VanDerWaalsContact C-N 3.3Å; F1092-E1094 PolarHBondContact O-N 2.97Å; E1094-L1096 VanDerWaalsContact C-N 3.3Å; E1094-L1096 PolarHBondContact O-N 2.97Å; E1094-H1097 PolarHBondContact O-N 3.33Å; E1094-H1097 VanDerWaalsContact O-N 3.12Å; E1094-E1098 PolarHBondContact O-N 2.86Å; E1094-R1101 IonicContact OE1-CZ 2.69Å; E1094-R1101 IonicContact OE1-NH1 2.85Å; E1094-R1101 PolarHBondContact OE1-NH1 3.32Å; E1094-R1101 IonicContact OE1-NH2 3.26Å; E1094-R1101 PolarHBondContact OE1-NH2 2.93Å; E1094-L1118 HydrophobicContact CG-CB 4.09Å; E1094-L1118 HydrophobicContact CG-CD1 4.16Å; E1094-Y1123 WeakPolarHBondContact OE1-CE1 3.49Å; E1094-Y1123 PolarHBondContact OE2-OH 3.16Å; E1094-R1127 IonicContact OE2-CZ 3.27Å; E1094-R1127 IonicContact OE2-NE 3.2Å; E1094-R1127 PolarHBondContact OE2-NE 3.24Å; E1094-R1127 VanDerWaalsContact OE2-NE 3.16Å; E1094-R1127 IonicContact OE2-NH2 3.17Å; E1094-R1127 PolarHBondContact OE2-NH2 3Å
1095	Y	97.7	Very high	97.3	Very high	39 Å²	39	18.2 Å²	18.2	15%	0.153	8%	0.082	C	C	.	.	H	α-helix	trans	-53.2	-49.5	174.8	168.5	-104.3	0	0	0	111	A929 T933 L934 Y937 A1091 F1092 H1097 E1098 R1099	A929-Y1095 HydrophobicContact CB-CD1 4.16Å; A929-Y1095 HydrophobicContact CB-CE1 4.01Å; T933-Y1095 HydrophobicContact CG2-CD2 4.2Å; T933-Y1095 HydrophobicContact CG2-CE2 3.83Å; L934-Y1095 HydrophobicContact CD2-CD1 4.18Å; L934-Y1095 HydrophobicContact CD2-CG 4.14Å; Y937-Y1095 HydrophobicContact CD2-CD2 4.27Å; Y937-Y1095 HydrophobicContact CE1-CD2 4.29Å; Y937-Y1095 AromaticContact CE2-CD2 3.61Å; Y937-Y1095 HydrophobicContact CE2-CD2 3.61Å; Y937-Y1095 HydrophobicContact CE2-CE2 4.46Å; Y937-Y1095 HydrophobicContact CE2-CG 4.37Å; Y937-Y1095 AromaticContact CZ-CD2 3.61Å; A1091-Y1095 WeakPolarHBondContact O-CB 3.28Å; A1091-Y1095 PolarHBondContact O-N 2.94Å; F1092-Y1095 AromaticContact CD2-CD1 3.89Å; F1092-Y1095 HydrophobicContact CD2-CD1 3.89Å; F1092-Y1095 AromaticContact CE2-CD1 3.93Å; F1092-Y1095 HydrophobicContact CE2-CD1 3.93Å; F1092-Y1095 HydrophobicContact CE2-CE1 4.35Å; F1092-Y1095 PolarHBondContact O-N 3.47Å; Y1095-H1097 VanDerWaalsContact C-N 3.33Å; Y1095-H1097 PolarHBondContact O-N 3.27Å; Y1095-E1098 WeakPolarHBondContact O-CB 3.47Å; Y1095-E1098 PolarHBondContact O-N 3.19Å; Y1095-R1099 HydrophobicContact CD1-CG 4.35Å; Y1095-R1099 HydrophobicContact CD2-CG 4.35Å; Y1095-R1099 HydrophobicContact CE1-CG 3.93Å; Y1095-R1099 HydrophobicContact CE2-CG 3.96Å; Y1095-R1099 VanDerWaalsContact O-CG 3.28Å; Y1095-R1099 WeakPolarHBondContact O-CG 3.4Å; Y1095-R1099 PolarHBondContact O-N 2.9Å
1096	L	97.8	Very high	97.2	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-64.5	-38.6	-179.4	-177.5	55.5	0	0	0	111.5	V927 V992 F1054 V1056 F1092 E1094 R1099 V1100 Y1104	V927-L1096 HydrophobicContact CB-CD1 4.29Å; V927-L1096 HydrophobicContact CG1-CD1 4.15Å; V927-L1096 HydrophobicContact CG2-CD1 3.86Å; V992-L1096 HydrophobicContact CB-CD1 4.1Å; V992-L1096 HydrophobicContact CB-CD2 4.18Å; V992-L1096 HydrophobicContact CB-CG 4.46Å; V992-L1096 HydrophobicContact CG1-CD1 4.2Å; V992-L1096 HydrophobicContact CG2-CD1 4.47Å; F1054-L1096 HydrophobicContact CB-CD2 3.87Å; V1056-L1096 HydrophobicContact CG1-CD2 3.64Å; F1092-L1096 HydrophobicContact CD2-CB 4.35Å; F1092-L1096 WeakPolarHBondContact O-CB 3.21Å; F1092-L1096 PolarHBondContact O-N 3.46Å; E1094-L1096 VanDerWaalsContact C-N 3.3Å; E1094-L1096 PolarHBondContact O-N 2.97Å; L1096-R1099 WeakPolarHBondContact O-CB 3.47Å; L1096-R1099 PolarHBondContact O-N 3.16Å; L1096-V1100 WeakPolarHBondContact O-CG2 3.36Å; L1096-V1100 PolarHBondContact O-N 3.41Å; L1096-Y1104 HydrophobicContact CD1-CE2 4.05Å
1097	H	97.6	Very high	97.3	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-62.3	-46.4	174.6	-167.5	-167.5	0	0	0	110.7	A1093 E1094 Y1095 R1099 V1100 R1101 Y1107 Y1123 R1127 Y1174	A1093-H1097 WeakPolarHBondContact O-CB 3.41Å; A1093-H1097 PolarHBondContact O-N 2.88Å; E1094-H1097 PolarHBondContact O-N 3.33Å; E1094-H1097 VanDerWaalsContact O-N 3.12Å; Y1095-H1097 VanDerWaalsContact C-N 3.33Å; Y1095-H1097 PolarHBondContact O-N 3.27Å; H1097-R1099 VanDerWaalsContact C-N 3.28Å; H1097-R1099 PolarHBondContact O-N 3.11Å; H1097-V1100 CarbonylContact O-C 3.52Å; H1097-V1100 WeakPolarHBondContact O-CA 3.34Å; H1097-V1100 WeakPolarHBondContact O-CB 3.37Å; H1097-V1100 PolarHBondContact O-N 2.92Å; H1097-R1101 PolarHBondContact CE1-NH1 3.05Å; H1097-R1101 VanDerWaalsContact CE1-NH1 3.35Å; H1097-R1101 PolarHBondContact ND1-NH1 2.7Å; H1097-R1101 VanDerWaalsContact O-CG 3.31Å; H1097-R1101 WeakPolarHBondContact O-CG 3.43Å; H1097-R1101 PolarHBondContact O-N 2.95Å; H1097-Y1107 PolarHBondContact NE2-OH 3.3Å; H1097-Y1123 AromaticContact CE1-CD2 3.82Å; H1097-Y1123 AromaticContact CE1-CE2 3.47Å; H1097-Y1123 VanDerWaalsContact CE1-CE2 3.47Å; H1097-Y1123 WeakPolarHBondContact CE1-CE2 3.37Å; H1097-Y1123 AromaticContact ND1-CE2 3.71Å; H1097-Y1123 AromaticContact ND1-CZ 3.92Å; H1097-R1127 WeakPolarHBondContact ND1-CD 3.29Å; H1097-Y1174 HydrophobicContact CB-CE1 3.61Å; H1097-Y1174 AromaticContact CD2-CD1 3.5Å; H1097-Y1174 VanDerWaalsContact CD2-CD1 3.5Å; H1097-Y1174 WeakPolarHBondContact CD2-CD1 3.34Å; H1097-Y1174 AromaticContact CD2-CE1 3.41Å; H1097-Y1174 VanDerWaalsContact CD2-CE1 3.41Å; H1097-Y1174 WeakPolarHBondContact CD2-CE1 3.26Å; H1097-Y1174 AromaticContact CG-CD1 3.94Å; H1097-Y1174 AromaticContact CG-CE1 3.43Å; H1097-Y1174 VanDerWaalsContact CG-CE1 3.43Å; H1097-Y1174 PolarHBondContact N-OH 2.92Å; H1097-Y1174 AromaticContact NE2-CD1 3.84Å
1098	E	97.2	Very high	97.2	Very high	20 Å²	20	17.6 Å²	17.6	9%	0.093	8%	0.084	C	C	.	.	H	α-helix	trans	-55.4	-43.9	174.7	-160.4	-146.8	171.4	0	0	111.6	Y937 E1094 Y1095 V1100 R1101 K1102	Y937-E1098 WeakPolarHBondContact CE1-OE2 3.28Å; Y937-E1098 PolarHBondContact OH-OE2 2.97Å; E1094-E1098 PolarHBondContact O-N 2.86Å; Y1095-E1098 WeakPolarHBondContact O-CB 3.47Å; Y1095-E1098 PolarHBondContact O-N 3.19Å; E1098-V1100 VanDerWaalsContact C-N 3.32Å; E1098-V1100 PolarHBondContact O-N 3.25Å; E1098-R1101 PolarHBondContact O-N 3.3Å; E1098-K1102 HydrophobicContact CG-CD 3.71Å; E1098-K1102 WeakPolarHBondContact O-CB 3.3Å; E1098-K1102 WeakPolarHBondContact O-CG 3.44Å; E1098-K1102 PolarHBondContact O-N 3.35Å; E1098-K1102 VanDerWaalsContact OE1-CD 3.29Å; E1098-K1102 WeakPolarHBondContact OE1-CD 3.4Å; E1098-K1102 IonicContact OE1-NZ 2.65Å; E1098-K1102 PolarHBondContact OE1-NZ 3.46Å
1099	R	96.9	Very high	97	Very high	80 Å²	80	21.2 Å²	21.2	30%	0.302	11%	0.107	S	C	.	.	H	α-helix	trans	-63.4	-36.5	174.8	-62.1	-60	-65.6	161.7	-2.3	112.3	Y1095 L1096 H1097 V1103 Y1104	Y1095-R1099 HydrophobicContact CD1-CG 4.35Å; Y1095-R1099 HydrophobicContact CD2-CG 4.35Å; Y1095-R1099 HydrophobicContact CE1-CG 3.93Å; Y1095-R1099 HydrophobicContact CE2-CG 3.96Å; Y1095-R1099 VanDerWaalsContact O-CG 3.28Å; Y1095-R1099 WeakPolarHBondContact O-CG 3.4Å; Y1095-R1099 PolarHBondContact O-N 2.9Å; L1096-R1099 WeakPolarHBondContact O-CB 3.47Å; L1096-R1099 PolarHBondContact O-N 3.16Å; H1097-R1099 VanDerWaalsContact C-N 3.28Å; H1097-R1099 PolarHBondContact O-N 3.11Å; R1099-V1103 WeakPolarHBondContact O-CA 3.33Å; R1099-V1103 WeakPolarHBondContact O-CB 3.44Å; R1099-V1103 PolarHBondContact O-N 2.69Å; R1099-Y1104 HydrophobicContact CB-CD2 3.96Å; R1099-Y1104 HydrophobicContact CB-CE2 3.63Å; R1099-Y1104 PolarHBondContact O-N 2.91Å
1100	V	97.7	Very high	96.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.147	C	C	.	.	I	π-helix	trans	-66	-48.9	174.2	170	0	0	0	0	110.9	V992 L994 L1096 H1097 E1098 K1102 Y1104 W1105 G1106 Y1174	V992-V1100 HydrophobicContact CG2-CG2 3.76Å; L994-V1100 HydrophobicContact CD2-CG1 4.26Å; L1096-V1100 WeakPolarHBondContact O-CG2 3.36Å; L1096-V1100 PolarHBondContact O-N 3.41Å; H1097-V1100 CarbonylContact O-C 3.52Å; H1097-V1100 WeakPolarHBondContact O-CA 3.34Å; H1097-V1100 WeakPolarHBondContact O-CB 3.37Å; H1097-V1100 PolarHBondContact O-N 2.92Å; E1098-V1100 VanDerWaalsContact C-N 3.32Å; E1098-V1100 PolarHBondContact O-N 3.25Å; V1100-K1102 VanDerWaalsContact C-N 3.35Å; V1100-K1102 PolarHBondContact O-N 3.49Å; V1100-Y1104 HydrophobicContact CG2-CD2 3.84Å; V1100-W1105 HydrophobicContact CG1-CB 3.85Å; V1100-W1105 HydrophobicContact CG1-CE3 4.18Å; V1100-W1105 WeakPolarHBondContact O-CA 3.09Å; V1100-W1105 WeakPolarHBondContact O-CB 3.27Å; V1100-W1105 PolarHBondContact O-N 3.44Å; V1100-G1106 PolarHBondContact O-N 3.43Å; V1100-Y1174 HydrophobicContact CB-CE2 4.39Å; V1100-Y1174 HydrophobicContact CG1-CD2 4.18Å; V1100-Y1174 HydrophobicContact CG1-CG 4.43Å; V1100-Y1174 HydrophobicContact CG2-CD2 4.13Å; V1100-Y1174 HydrophobicContact CG2-CE2 3.73Å
1101	R	97.5	Very high	96.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.141	C	C	.	.	I	π-helix	trans	-58.5	-44.7	179	-65.1	-164.4	-60.8	-95.1	1.8	112	E1094 H1097 E1098 G1106 Y1107 A1108 E1111 L1118 Y1123 Q1124	E1094-R1101 IonicContact OE1-CZ 2.69Å; E1094-R1101 IonicContact OE1-NH1 2.85Å; E1094-R1101 PolarHBondContact OE1-NH1 3.32Å; E1094-R1101 IonicContact OE1-NH2 3.26Å; E1094-R1101 PolarHBondContact OE1-NH2 2.93Å; H1097-R1101 PolarHBondContact CE1-NH1 3.05Å; H1097-R1101 VanDerWaalsContact CE1-NH1 3.35Å; H1097-R1101 PolarHBondContact ND1-NH1 2.7Å; H1097-R1101 VanDerWaalsContact O-CG 3.31Å; H1097-R1101 WeakPolarHBondContact O-CG 3.43Å; H1097-R1101 PolarHBondContact O-N 2.95Å; E1098-R1101 PolarHBondContact O-N 3.3Å; R1101-G1106 CarbonylContact O-C 3.58Å; R1101-G1106 VanDerWaalsContact O-C 3.22Å; R1101-G1106 WeakPolarHBondContact O-CA 3.44Å; R1101-G1106 PolarHBondContact O-N 2.88Å; R1101-Y1107 HydrophobicContact CB-CE2 4.27Å; R1101-Y1107 HydrophobicContact CG-CE1 4.33Å; R1101-Y1107 HydrophobicContact CG-CE2 3.87Å; R1101-Y1107 WeakPolarHBondContact CG-OH 3.31Å; R1101-Y1107 PolarHBondContact O-N 2.9Å; R1101-A1108 HydrophobicContact CB-CB 4.33Å; R1101-A1108 PolarHBondContact O-N 2.77Å; R1101-E1111 WeakPolarHBondContact CD-OE2 3.44Å; R1101-E1111 IonicContact CZ-OE1 3.52Å; R1101-E1111 IonicContact CZ-OE2 3.34Å; R1101-E1111 IonicContact NE-OE1 2.74Å; R1101-E1111 PolarHBondContact NE-OE1 3.08Å; R1101-E1111 VanDerWaalsContact NE-OE1 3.12Å; R1101-E1111 IonicContact NE-OE2 3.63Å; R1101-E1111 PolarHBondContact NE-OE2 3.33Å; R1101-E1111 IonicContact NH2-OE1 3.47Å; R1101-E1111 PolarHBondContact NH2-OE1 3.05Å; R1101-E1111 IonicContact NH2-OE2 2.88Å; R1101-L1118 VanDerWaalsContact NH2-CD2 3.3Å; R1101-Y1123 VanDerWaalsContact CZ-CG 3.42Å; R1101-Q1124 WeakPolarHBondContact CD-O 3.33Å
1102	K	96.9	Very high	96.6	Very high	53 Å²	53	34.2 Å²	34.2	23%	0.23	18%	0.178	C	C	.	.	I	π-helix	trans	-90.1	-32.9	-172.9	-67.4	167.3	76.7	158.3	0	114.5	E1098 V1100 A1108 E1111	E1098-K1102 HydrophobicContact CG-CD 3.71Å; E1098-K1102 WeakPolarHBondContact O-CB 3.3Å; E1098-K1102 WeakPolarHBondContact O-CG 3.44Å; E1098-K1102 PolarHBondContact O-N 3.35Å; E1098-K1102 VanDerWaalsContact OE1-CD 3.29Å; E1098-K1102 WeakPolarHBondContact OE1-CD 3.4Å; E1098-K1102 IonicContact OE1-NZ 2.65Å; E1098-K1102 PolarHBondContact OE1-NZ 3.46Å; V1100-K1102 VanDerWaalsContact C-N 3.35Å; V1100-K1102 PolarHBondContact O-N 3.49Å; K1102-A1108 WeakPolarHBondContact CG-O 3.45Å; K1102-E1111 HydrophobicContact CD-CB 4.23Å; K1102-E1111 WeakPolarHBondContact CE-O 3.4Å; K1102-E1111 HydrophobicContact CG-CB 4.11Å; K1102-E1111 PolarHBondContact NZ-O 3.1Å
1103	V	95.8	Very high	96.5	Very high	36 Å²	36	36.3 Å²	36.3	22%	0.218	19%	0.188	C	C	.	.	I	π-helix	trans	-126.3	-58.5	-166.1	-175.1	0	0	0	0	113.4	H920 R1099	H920-V1103 PolarHBondContact ND1-O 3.37Å; R1099-V1103 WeakPolarHBondContact O-CA 3.33Å; R1099-V1103 WeakPolarHBondContact O-CB 3.44Å; R1099-V1103 PolarHBondContact O-N 2.69Å
1104	Y	96.4	Very high	96.3	Very high	24 Å²	24	38.9 Å²	38.9	9%	0.094	21%	0.206	C	C	.	.	I	π-helix	trans	-72.5	-48.8	-170.8	-58.1	-61.7	0	0	0	112.6	H920 R921 V927 V992 L994 L1096 R1099 V1100	H920-Y1104 WeakPolarHBondContact CB-O 3.24Å; H920-Y1104 PolarHBondContact N-O 3.5Å; H920-Y1104 VanDerWaalsContact N-O 3.07Å; R921-Y1104 PolarHBondContact N-O 2.96Å; R921-Y1104 VanDerWaalsContact N-O 3.09Å; V927-Y1104 HydrophobicContact CG2-CE2 4.49Å; V992-Y1104 HydrophobicContact CG1-CD2 4.45Å; V992-Y1104 HydrophobicContact CG1-CE2 4.37Å; L994-Y1104 VanDerWaalsContact CD1-C 3.47Å; L994-Y1104 WeakPolarHBondContact CD1-O 3.32Å; L1096-Y1104 HydrophobicContact CD1-CE2 4.05Å; R1099-Y1104 HydrophobicContact CB-CD2 3.96Å; R1099-Y1104 HydrophobicContact CB-CE2 3.63Å; R1099-Y1104 PolarHBondContact O-N 2.91Å; V1100-Y1104 HydrophobicContact CG2-CD2 3.84Å
1105	W	97.1	Very high	96.2	Very high	1 Å²	1	40.6 Å²	40.6	0%	0.004	22%	0.216	C	C	.	.	S	Bend	trans	-92.8	-43.4	171.4	-158.6	-22.7	0	0	0	109.9	P917 A919 L994 Y1050 V1100 Y1107 S1176	P917-W1105 PolarHBondContact O-NE1 3.33Å; A919-W1105 HydrophobicContact CB-CG 4.3Å; L994-W1105 HydrophobicContact CD1-CB 3.77Å; L994-W1105 HydrophobicContact CD1-CG 4.26Å; L994-W1105 HydrophobicContact CD2-CD2 4.36Å; L994-W1105 HydrophobicContact CD2-CE3 3.91Å; Y1050-W1105 HydrophobicContact CG-CZ2 4.5Å; Y1050-W1105 WeakPolarHBondContact O-CH2 3.23Å; V1100-W1105 HydrophobicContact CG1-CB 3.85Å; V1100-W1105 HydrophobicContact CG1-CE3 4.18Å; V1100-W1105 WeakPolarHBondContact O-CA 3.09Å; V1100-W1105 WeakPolarHBondContact O-CB 3.27Å; V1100-W1105 PolarHBondContact O-N 3.44Å; W1105-Y1107 HydrophobicContact CB-CD1 3.83Å; W1105-Y1107 HydrophobicContact CB-CE1 4.18Å; W1105-Y1107 AromaticContact CD2-CD1 3.77Å; W1105-Y1107 HydrophobicContact CD2-CD1 3.77Å; W1105-Y1107 AromaticContact CD2-CE1 3.93Å; W1105-Y1107 HydrophobicContact CD2-CE1 3.93Å; W1105-Y1107 HydrophobicContact CE3-CD1 4.16Å; W1105-Y1107 AromaticContact CE3-CE1 3.82Å; W1105-Y1107 HydrophobicContact CE3-CE1 3.82Å; W1105-Y1107 AromaticContact CG-CD1 3.61Å; W1105-Y1107 HydrophobicContact CG-CD1 3.61Å; W1105-Y1107 HydrophobicContact CG-CE1 4.11Å; W1105-S1176 WeakPolarHBondContact CH2-OG 3.26Å; W1105-S1176 VanDerWaalsContact CZ2-CB 3.49Å; W1105-S1176 WeakPolarHBondContact CZ2-OG 3.34Å
1106	G	96.5	Very high	95.9	Very high	12 Å²	12	44 Å²	44	12%	0.124	23%	0.233	C	C	.	.			trans	76.2	25.2	168.3	0	0	0	0	0	115	V1100 R1101 A1108	V1100-G1106 PolarHBondContact O-N 3.43Å; R1101-G1106 CarbonylContact O-C 3.58Å; R1101-G1106 VanDerWaalsContact O-C 3.22Å; R1101-G1106 WeakPolarHBondContact O-CA 3.44Å; R1101-G1106 PolarHBondContact O-N 2.88Å; G1106-A1108 VanDerWaalsContact C-N 3.33Å
1107	Y	96.4	Very high	95.7	Very high	24 Å²	24	47.4 Å²	47.4	9%	0.094	25%	0.249	C	C	.	.	S	Bend	trans	-79.3	-13	178.2	62	-104.5	0	0	0	114	P917 H1097 R1101 W1105 Q1124 S1176	P917-Y1107 HydrophobicContact CG-CG 4.38Å; H1097-Y1107 PolarHBondContact NE2-OH 3.3Å; R1101-Y1107 HydrophobicContact CB-CE2 4.27Å; R1101-Y1107 HydrophobicContact CG-CE1 4.33Å; R1101-Y1107 HydrophobicContact CG-CE2 3.87Å; R1101-Y1107 WeakPolarHBondContact CG-OH 3.31Å; R1101-Y1107 PolarHBondContact O-N 2.9Å; W1105-Y1107 HydrophobicContact CB-CD1 3.83Å; W1105-Y1107 HydrophobicContact CB-CE1 4.18Å; W1105-Y1107 AromaticContact CD2-CD1 3.77Å; W1105-Y1107 HydrophobicContact CD2-CD1 3.77Å; W1105-Y1107 AromaticContact CD2-CE1 3.93Å; W1105-Y1107 HydrophobicContact CD2-CE1 3.93Å; W1105-Y1107 HydrophobicContact CE3-CD1 4.16Å; W1105-Y1107 AromaticContact CE3-CE1 3.82Å; W1105-Y1107 HydrophobicContact CE3-CE1 3.82Å; W1105-Y1107 AromaticContact CG-CD1 3.61Å; W1105-Y1107 HydrophobicContact CG-CD1 3.61Å; W1105-Y1107 HydrophobicContact CG-CE1 4.11Å; Y1107-Q1124 HydrophobicContact CD2-CB 4.41Å; Y1107-Q1124 HydrophobicContact CD2-CG 4.3Å; Y1107-Q1124 HydrophobicContact CE2-CB 4.04Å; Y1107-Q1124 HydrophobicContact CE2-CG 4.13Å; Y1107-Q1124 VanDerWaalsContact CE2-O 3.23Å; Y1107-Q1124 WeakPolarHBondContact CE2-O 3.26Å; Y1107-Q1124 PolarHBondContact OH-O 2.9Å; Y1107-S1176 VanDerWaalsContact CD1-CB 3.41Å; Y1107-S1176 VanDerWaalsContact CE1-CB 3.44Å
1108	A	95.9	Very high	95.5	Very high	18 Å²	18	47.7 Å²	47.7	15%	0.149	25%	0.251	C	S	.	.	S	Bend	trans	-134	63.7	173.9	0	0	0	0	0	111.5	R1101 K1102 G1106 N1110 E1111	R1101-A1108 HydrophobicContact CB-CB 4.33Å; R1101-A1108 PolarHBondContact O-N 2.77Å; K1102-A1108 WeakPolarHBondContact CG-O 3.45Å; G1106-A1108 VanDerWaalsContact C-N 3.33Å; A1108-N1110 VanDerWaalsContact C-N 3.28Å; A1108-N1110 PolarHBondContact O-N 3.02Å; A1108-E1111 HydrophobicContact CB-CB 4.27Å; A1108-E1111 WeakPolarHBondContact O-CB 3.31Å; A1108-E1111 PolarHBondContact O-N 3.47Å
1109	P	94.1	Very high	95.2	Very high	77 Å²	77	50.1 Å²	50.1	50%	0.5	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-24.1	-170.4	28	-35.3	0	0	0	114.4
1110	N	95.1	Very high	94.8	Very high	155 Å²	155	54.5 Å²	54.5	83%	0.829	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	9.9	-178.8	-59.6	-35.1	0	0	0	112.9	A1108 N1112	A1108-N1110 VanDerWaalsContact C-N 3.28Å; A1108-N1110 PolarHBondContact O-N 3.02Å; N1110-N1112 PolarHBondContact O-N 3.23Å
1111	E	95.6	Very high	94.5	Very high	23 Å²	23	59.2 Å²	59.2	11%	0.107	30%	0.302	C	S	.	.			trans	-60.5	129.7	178.3	-174.2	-174.8	112.8	0	0	111.1	R1101 K1102 A1108 L1113	R1101-E1111 WeakPolarHBondContact CD-OE2 3.44Å; R1101-E1111 IonicContact CZ-OE1 3.52Å; R1101-E1111 IonicContact CZ-OE2 3.34Å; R1101-E1111 IonicContact NE-OE1 2.74Å; R1101-E1111 PolarHBondContact NE-OE1 3.08Å; R1101-E1111 VanDerWaalsContact NE-OE1 3.12Å; R1101-E1111 IonicContact NE-OE2 3.63Å; R1101-E1111 PolarHBondContact NE-OE2 3.33Å; R1101-E1111 IonicContact NH2-OE1 3.47Å; R1101-E1111 PolarHBondContact NH2-OE1 3.05Å; R1101-E1111 IonicContact NH2-OE2 2.88Å; K1102-E1111 HydrophobicContact CD-CB 4.23Å; K1102-E1111 WeakPolarHBondContact CE-O 3.4Å; K1102-E1111 HydrophobicContact CG-CB 4.11Å; K1102-E1111 PolarHBondContact NZ-O 3.1Å; A1108-E1111 HydrophobicContact CB-CB 4.27Å; A1108-E1111 WeakPolarHBondContact O-CB 3.31Å; A1108-E1111 PolarHBondContact O-N 3.47Å; E1111-L1113 HydrophobicContact CG-CD1 3.82Å; E1111-L1113 HydrophobicContact CG-CG 3.75Å
1112	N	93.7	Very high	94.3	Very high	146 Å²	146	63.5 Å²	63.5	78%	0.781	33%	0.325	S	S	*	.			trans	-143	60.6	179.9	-170.2	60.1	0	0	0	110.2	N1110	N1110-N1112 PolarHBondContact O-N 3.23Å
1113	L	95.2	Very high	94.1	Very high	43 Å²	43	61.9 Å²	61.9	23%	0.225	32%	0.318	C	S	.	.			trans	-85	144.2	-179.7	-62.2	173.6	0	0	0	110.7	E1111 E1117 L1118 N1122 Y1123	E1111-L1113 HydrophobicContact CG-CD1 3.82Å; E1111-L1113 HydrophobicContact CG-CG 3.75Å; L1113-E1117 HydrophobicContact CB-CB 3.98Å; L1113-E1117 HydrophobicContact CD2-CB 4.05Å; L1113-E1117 HydrophobicContact CG-CB 4.46Å; L1113-L1118 HydrophobicContact CB-CD2 3.92Å; L1113-L1118 HydrophobicContact CB-CG 4.24Å; L1113-L1118 HydrophobicContact CD1-CD2 3.93Å; L1113-N1122 WeakPolarHBondContact CD1-O 3.14Å; L1113-Y1123 HydrophobicContact CD1-CD1 4.49Å
1114	S	94.2	Very high	94.1	Very high	54 Å²	54	63.6 Å²	63.6	38%	0.378	32%	0.323	S	S	.	.			trans	-70.1	161.2	166.1	63.6	0	0	0	0	111.3	E1116 E1117 L1118	S1114-E1116 PolarHBondContact O-N 3.27Å; S1114-E1117 WeakPolarHBondContact CB-OE2 3.34Å; S1114-E1117 PolarHBondContact N-OE2 3.37Å; S1114-E1117 WeakPolarHBondContact O-CB 3.31Å; S1114-E1117 PolarHBondContact O-N 2.82Å; S1114-E1117 WeakPolarHBondContact OG-CG 3.31Å; S1114-E1117 PolarHBondContact OG-N 3.03Å; S1114-E1117 PolarHBondContact OG-OE2 3.03Å; S1114-L1118 WeakPolarHBondContact O-CG 3.3Å; S1114-L1118 PolarHBondContact O-N 3.34Å
1115	N	93.9	Very high	94	Very high	47 Å²	47	62.7 Å²	62.7	25%	0.251	32%	0.321	S	S	.	.	H	α-helix	trans	-59	-34.3	176.4	-170.6	42.8	0	0	0	112.3	Y937 I938 E1117 L1118 I1119	Y937-N1115 WeakPolarHBondContact CA-OD1 3.46Å; I938-N1115 PolarHBondContact O-ND2 3.25Å; N1115-E1117 VanDerWaalsContact C-N 3.35Å; N1115-E1117 PolarHBondContact O-N 3.18Å; N1115-L1118 WeakPolarHBondContact O-CB 3.26Å; N1115-L1118 PolarHBondContact O-N 2.89Å; N1115-I1119 VanDerWaalsContact O-CG1 3.27Å; N1115-I1119 WeakPolarHBondContact O-CG1 3.37Å; N1115-I1119 PolarHBondContact O-N 3.48Å
1116	E	91.6	Very high	94	Very high	111 Å²	111	63 Å²	63	52%	0.519	32%	0.323	S	S	.	.	H	α-helix	trans	-64.1	-39.3	174.9	-67.5	-171.4	178.1	0	0	112.6	S1114 I1119 R1120	S1114-E1116 PolarHBondContact O-N 3.27Å; E1116-I1119 PolarHBondContact O-N 2.88Å; E1116-R1120 VanDerWaalsContact O-CG 3.32Å; E1116-R1120 WeakPolarHBondContact O-CG 3.24Å; E1116-R1120 PolarHBondContact O-N 3.06Å; E1116-R1120 VanDerWaalsContact O-N 3.07Å
1117	E	93.8	Very high	94	Very high	72 Å²	72	64.3 Å²	64.3	34%	0.336	32%	0.324	S	S	.	.	H	α-helix	trans	-69.7	-34.2	175.3	-71.8	167	115.2	0	0	111.9	L1113 S1114 N1115 R1120 E1121 N1122	L1113-E1117 HydrophobicContact CB-CB 3.98Å; L1113-E1117 HydrophobicContact CD2-CB 4.05Å; L1113-E1117 HydrophobicContact CG-CB 4.46Å; S1114-E1117 WeakPolarHBondContact CB-OE2 3.34Å; S1114-E1117 PolarHBondContact N-OE2 3.37Å; S1114-E1117 WeakPolarHBondContact O-CB 3.31Å; S1114-E1117 PolarHBondContact O-N 2.82Å; S1114-E1117 WeakPolarHBondContact OG-CG 3.31Å; S1114-E1117 PolarHBondContact OG-N 3.03Å; S1114-E1117 PolarHBondContact OG-OE2 3.03Å; N1115-E1117 VanDerWaalsContact C-N 3.35Å; N1115-E1117 PolarHBondContact O-N 3.18Å; E1117-R1120 CarbonylContact O-C 3.58Å; E1117-R1120 PolarHBondContact O-N 3.07Å; E1117-E1121 PolarHBondContact O-N 2.86Å; E1117-N1122 HydrophobicContact CB-CB 4.25Å; E1117-N1122 WeakPolarHBondContact O-CB 3.2Å; E1117-N1122 PolarHBondContact O-N 2.97Å
1118	L	93.2	Very high	94	Very high	6 Å²	6	63.3 Å²	63.3	3%	0.031	32%	0.32	C	S	.	.	H	α-helix	trans	-63.7	-46.5	172.2	-65.1	179.3	0	0	0	111.4	Y937 E1094 R1101 L1113 S1114 N1115 R1120 E1121 Y1123	Y937-L1118 HydrophobicContact CD1-CD1 3.83Å; Y937-L1118 HydrophobicContact CE1-CD1 3.86Å; E1094-L1118 HydrophobicContact CG-CB 4.09Å; E1094-L1118 HydrophobicContact CG-CD1 4.16Å; R1101-L1118 VanDerWaalsContact NH2-CD2 3.3Å; L1113-L1118 HydrophobicContact CB-CD2 3.92Å; L1113-L1118 HydrophobicContact CB-CG 4.24Å; L1113-L1118 HydrophobicContact CD1-CD2 3.93Å; S1114-L1118 WeakPolarHBondContact O-CG 3.3Å; S1114-L1118 PolarHBondContact O-N 3.34Å; N1115-L1118 WeakPolarHBondContact O-CB 3.26Å; N1115-L1118 PolarHBondContact O-N 2.89Å; L1118-R1120 PolarHBondContact O-N 3.41Å; L1118-E1121 WeakPolarHBondContact O-CA 3.3Å; L1118-E1121 PolarHBondContact O-N 3.33Å; L1118-Y1123 HydrophobicContact CD2-CD1 3.87Å; L1118-Y1123 HydrophobicContact CD2-CE1 4.44Å; L1118-Y1123 WeakPolarHBondContact O-CE1 3.44Å
1119	I	90.7	Very high	93.9	Very high	70 Å²	70	63.1 Å²	63.1	36%	0.359	32%	0.319	S	S	.	.	H	α-helix	trans	-61.9	-33	176.9	-67.8	166.8	0	0	0	111.4	D939 N1115 E1116 E1121	D939-I1119 HydrophobicContact CB-CD1 3.68Å; D939-I1119 HydrophobicContact CB-CG1 3.95Å; N1115-I1119 VanDerWaalsContact O-CG1 3.27Å; N1115-I1119 WeakPolarHBondContact O-CG1 3.37Å; N1115-I1119 PolarHBondContact O-N 3.48Å; E1116-I1119 PolarHBondContact O-N 2.88Å; I1119-E1121 PolarHBondContact O-N 2.81Å
1120	R	90	Very high	93.9	Very high	173 Å²	173	59.6 Å²	59.6	65%	0.653	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	0.1	173.4	-69.6	178.6	-169.7	-177.1	7.9	113.8	E1116 E1117 L1118 N1122	E1116-R1120 VanDerWaalsContact O-CG 3.32Å; E1116-R1120 WeakPolarHBondContact O-CG 3.24Å; E1116-R1120 PolarHBondContact O-N 3.06Å; E1116-R1120 VanDerWaalsContact O-N 3.07Å; E1117-R1120 CarbonylContact O-C 3.58Å; E1117-R1120 PolarHBondContact O-N 3.07Å; L1118-R1120 PolarHBondContact O-N 3.41Å; R1120-N1122 VanDerWaalsContact C-N 3.26Å; R1120-N1122 PolarHBondContact O-N 3.17Å
1121	E	91.5	Very high	93.6	Very high	98 Å²	98	53.3 Å²	53.3	46%	0.458	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.9	31.4	-180	-47.6	179	149.6	0	0	113.2	E1117 L1118 I1119 Y1123 Y1182	E1117-E1121 PolarHBondContact O-N 2.86Å; L1118-E1121 WeakPolarHBondContact O-CA 3.3Å; L1118-E1121 PolarHBondContact O-N 3.33Å; I1119-E1121 PolarHBondContact O-N 2.81Å; E1121-Y1123 HydrophobicContact CB-CE1 4.37Å; E1121-Y1123 HydrophobicContact CB-CE2 4.42Å; E1121-Y1123 PolarHBondContact O-N 3.07Å; E1121-Y1182 VanDerWaalsContact CD-CE2 3.5Å; E1121-Y1182 WeakPolarHBondContact OE1-CE2 3.34Å; E1121-Y1182 VanDerWaalsContact OE2-CD2 3.28Å; E1121-Y1182 WeakPolarHBondContact OE2-CD2 3.36Å; E1121-Y1182 VanDerWaalsContact OE2-CE2 3.28Å; E1121-Y1182 WeakPolarHBondContact OE2-CE2 3.41Å
1122	N	91.7	Very high	93.3	Very high	90 Å²	90	58.7 Å²	58.7	48%	0.481	29%	0.288	S	S	.	.			trans	-74.9	28.3	-179.1	-72.5	-10.5	0	0	0	113.6	L1113 E1117 R1120	L1113-N1122 WeakPolarHBondContact CD1-O 3.14Å; E1117-N1122 HydrophobicContact CB-CB 4.25Å; E1117-N1122 WeakPolarHBondContact O-CB 3.2Å; E1117-N1122 PolarHBondContact O-N 2.97Å; R1120-N1122 VanDerWaalsContact C-N 3.26Å; R1120-N1122 PolarHBondContact O-N 3.17Å
1123	Y	94.3	Very high	93.1	Very high	20 Å²	20	55.6 Å²	55.6	8%	0.078	28%	0.276	C	S	.	.	S	Bend	trans	-109.5	159.8	177.6	46.6	-109.4	0	0	0	111.2	E1094 H1097 R1101 L1113 L1118 E1121 G1125	E1094-Y1123 WeakPolarHBondContact OE1-CE1 3.49Å; E1094-Y1123 PolarHBondContact OE2-OH 3.16Å; H1097-Y1123 AromaticContact CE1-CD2 3.82Å; H1097-Y1123 AromaticContact CE1-CE2 3.47Å; H1097-Y1123 VanDerWaalsContact CE1-CE2 3.47Å; H1097-Y1123 WeakPolarHBondContact CE1-CE2 3.37Å; H1097-Y1123 AromaticContact ND1-CE2 3.71Å; H1097-Y1123 AromaticContact ND1-CZ 3.92Å; R1101-Y1123 VanDerWaalsContact CZ-CG 3.42Å; L1113-Y1123 HydrophobicContact CD1-CD1 4.49Å; L1118-Y1123 HydrophobicContact CD2-CD1 3.87Å; L1118-Y1123 HydrophobicContact CD2-CE1 4.44Å; L1118-Y1123 WeakPolarHBondContact O-CE1 3.44Å; E1121-Y1123 HydrophobicContact CB-CE1 4.37Å; E1121-Y1123 HydrophobicContact CB-CE2 4.42Å; E1121-Y1123 PolarHBondContact O-N 3.07Å; Y1123-G1125 WeakPolarHBondContact CD2-O 3.46Å; Y1123-G1125 WeakPolarHBondContact CE2-O 3.48Å
1124	Q	94.8	Very high	92.9	Very high	71 Å²	71	53.9 Å²	53.9	33%	0.332	27%	0.268	S	S	.	.	S	Bend	trans	-72.4	136	173.4	-173.9	-176.6	-44.7	0	0	110.9	R1101 Y1107 S1176 P1178	R1101-Q1124 WeakPolarHBondContact CD-O 3.33Å; Y1107-Q1124 HydrophobicContact CD2-CB 4.41Å; Y1107-Q1124 HydrophobicContact CD2-CG 4.3Å; Y1107-Q1124 HydrophobicContact CE2-CB 4.04Å; Y1107-Q1124 HydrophobicContact CE2-CG 4.13Å; Y1107-Q1124 VanDerWaalsContact CE2-O 3.23Å; Y1107-Q1124 WeakPolarHBondContact CE2-O 3.26Å; Y1107-Q1124 PolarHBondContact OH-O 2.9Å; Q1124-S1176 PolarHBondContact NE2-O 3.2Å; Q1124-P1178 HydrophobicContact CG-CB 4.27Å
1125	G	95.1	Very high	92.8	Very high	5 Å²	5	51.6 Å²	51.6	5%	0.052	25%	0.252	C	S	.	.	S	Bend	trans	86.3	171.7	176.6	0	0	0	0	0	113.5	Y1123 F1175 S1180	Y1123-G1125 WeakPolarHBondContact CD2-O 3.46Å; Y1123-G1125 WeakPolarHBondContact CE2-O 3.48Å; G1125-F1175 CarbonylContact C-O 3.43Å; G1125-F1175 WeakPolarHBondContact CA-O 3.39Å; G1125-S1180 WeakPolarHBondContact CA-OG 2.87Å
1126	I	96.6	Very high	92.7	Very high	7 Å²	7	50 Å²	50	4%	0.036	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-133.8	160.9	-176.6	59.3	169.8	0	0	0	111.9	L1036 P1128 F1175 Y1182	L1036-I1126 HydrophobicContact CD2-CD1 3.99Å; I1126-P1128 VanDerWaalsContact C-CD 3.47Å; I1126-P1128 HydrophobicContact CD1-CG 4.19Å; I1126-P1128 HydrophobicContact CG1-CG 4.45Å; I1126-F1175 HydrophobicContact CD1-CD2 4.4Å; I1126-F1175 HydrophobicContact CG1-CB 3.92Å; I1126-F1175 HydrophobicContact CG1-CD2 4.08Å; I1126-F1175 HydrophobicContact CG1-CG 4.33Å; I1126-F1175 PolarHBondContact N-O 3.06Å; I1126-F1175 VanDerWaalsContact N-O 3.11Å; I1126-F1175 PolarHBondContact O-N 3.11Å; I1126-Y1182 HydrophobicContact CB-CE1 4.06Å; I1126-Y1182 HydrophobicContact CB-CE2 4.13Å; I1126-Y1182 HydrophobicContact CG2-CD2 4.12Å; I1126-Y1182 HydrophobicContact CG2-CE2 3.87Å
1127	R	96.4	Very high	92.6	Very high	40 Å²	40	44.8 Å²	44.8	15%	0.151	22%	0.22	C	C	.	.			trans	-125.1	54.7	179.9	61.9	174.9	173.9	106.8	-6.4	114.9	F1054 E1090 E1094 H1097 A1129 W1173 Y1174 Y1182	F1054-R1127 HydrophobicContact CE1-CB 4.16Å; E1090-R1127 IonicContact OE2-NH1 2.76Å; E1094-R1127 IonicContact OE2-CZ 3.27Å; E1094-R1127 IonicContact OE2-NE 3.2Å; E1094-R1127 PolarHBondContact OE2-NE 3.24Å; E1094-R1127 VanDerWaalsContact OE2-NE 3.16Å; E1094-R1127 IonicContact OE2-NH2 3.17Å; E1094-R1127 PolarHBondContact OE2-NH2 3Å; H1097-R1127 WeakPolarHBondContact ND1-CD 3.29Å; R1127-A1129 PolarHBondContact O-N 3Å; R1127-W1173 CarbonylContact C-O 3.59Å; R1127-W1173 VanDerWaalsContact C-O 3.31Å; R1127-W1173 WeakPolarHBondContact CA-O 3.08Å; R1127-Y1174 HydrophobicContact CB-CD1 3.67Å; R1127-Y1174 HydrophobicContact CB-CE1 3.6Å; R1127-Y1182 WeakPolarHBondContact CG-OH 3.32Å; R1127-Y1182 PolarHBondContact N-OH 2.84Å
1128	P	96.1	Very high	92.5	Very high	3 Å²	3	42 Å²	42	2%	0.019	21%	0.207	C	C	.	.			trans	-64	136.1	-172.6	29.1	-36.8	0	0	0	112.8	L1036 I1126 A1134 G1172 W1173 F1175 Y1182	L1036-P1128 HydrophobicContact CD1-CB 4.02Å; L1036-P1128 HydrophobicContact CD1-CG 3.9Å; L1036-P1128 HydrophobicContact CD2-CB 4.29Å; L1036-P1128 HydrophobicContact CD2-CG 3.93Å; I1126-P1128 VanDerWaalsContact C-CD 3.47Å; I1126-P1128 HydrophobicContact CD1-CG 4.19Å; I1126-P1128 HydrophobicContact CG1-CG 4.45Å; P1128-A1134 HydrophobicContact CB-CB 4.46Å; P1128-G1172 WeakPolarHBondContact O-CA 3.34Å; P1128-W1173 WeakPolarHBondContact CD-O 3.49Å; P1128-W1173 HydrophobicContact CG-CB 4.45Å; P1128-W1173 PolarHBondContact O-N 3.16Å; P1128-F1175 HydrophobicContact CG-CD2 3.78Å; P1128-F1175 HydrophobicContact CG-CE2 3.54Å; P1128-Y1182 HydrophobicContact CB-CD1 4.5Å; P1128-Y1182 HydrophobicContact CB-CE1 4.13Å
1129	A	94.9	Very high	92.5	Very high	14 Å²	14	42.1 Å²	42.1	12%	0.116	21%	0.208	C	C	.	.			trans	-104.1	137.2	179.5	0	0	0	0	0	111.6	R1127 Y1132 S1171	R1127-A1129 PolarHBondContact O-N 3Å; A1129-Y1132 HydrophobicContact CB-CD2 3.64Å; A1129-Y1132 HydrophobicContact CB-CE2 3.94Å; A1129-Y1132 HydrophobicContact CB-CG 4.37Å; A1129-Y1132 WeakPolarHBondContact O-CB 3.48Å; A1129-Y1132 PolarHBondContact O-N 3.25Å; A1129-S1171 WeakPolarHBondContact CB-O 3.5Å
1130	P	94.5	Very high	92.7	Very high	3 Å²	3	38.8 Å²	38.8	2%	0.019	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	139.9	169.1	-26.9	36	0	0	0	112	C1135 E1137 E1140 K1141 I1144	P1130-C1135 CarbonylContact C-O 3.54Å; P1130-C1135 WeakPolarHBondContact CA-O 3.25Å; P1130-E1137 WeakPolarHBondContact CB-O 3.38Å; P1130-E1140 HydrophobicContact CB-CB 4.06Å; P1130-E1140 HydrophobicContact CG-CB 3.87Å; P1130-K1141 VanDerWaalsContact C-NZ 3.29Å; P1130-K1141 HydrophobicContact CB-CG 3.9Å; P1130-K1141 HydrophobicContact CG-CG 4.25Å; P1130-K1141 PolarHBondContact O-NZ 3.27Å; P1130-I1144 HydrophobicContact CG-CD1 3.95Å
1131	G	88.9	Confident	93.1	Very high	24 Å²	24	30.9 Å²	30.9	25%	0.247	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.2	-10	-172	0	0	0	0	0	115.1	C1135 E1137	G1131-C1135 PolarHBondContact N-O 3.07Å; G1131-E1137 PolarHBondContact N-O 2.7Å
1132	Y	89.3	Confident	93.3	Very high	136 Å²	136	28.1 Å²	28.1	53%	0.533	16%	0.155	S	C	.	.	B	Isolated β-bridge	trans	-95.8	165.4	177.5	-77.2	-109.4	0	0	0	111.8	A1129 A1134 C1135 P1136	A1129-Y1132 HydrophobicContact CB-CD2 3.64Å; A1129-Y1132 HydrophobicContact CB-CE2 3.94Å; A1129-Y1132 HydrophobicContact CB-CG 4.37Å; A1129-Y1132 WeakPolarHBondContact O-CB 3.48Å; A1129-Y1132 PolarHBondContact O-N 3.25Å; Y1132-A1134 PolarHBondContact O-N 3.17Å; Y1132-C1135 PolarHBondContact N-O 3.2Å; Y1132-C1135 CarbonylContact O-C 3.38Å; Y1132-C1135 PolarHBondContact O-N 3.12Å; Y1132-P1136 WeakPolarHBondContact O-CA 3.42Å
1133	P	89.2	Confident	93.5	Very high	81 Å²	81	24.3 Å²	24.3	53%	0.526	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-30.6	-171.5	-30.6	36.8	0	0	0	116.7	Y1183 A1184 V1185	P1133-Y1183 CarbonylContact C-O 3.59Å; P1133-A1184 HydrophobicContact CB-CB 3.91Å; P1133-A1184 WeakPolarHBondContact O-CA 3.45Å; P1133-V1185 PolarHBondContact O-N 3.24Å
1134	A	90.9	Very high	93.7	Very high	7 Å²	7	23.3 Å²	23.3	6%	0.058	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-23.4	178.4	0	0	0	0	0	113.6	L1036 P1128 Y1132 Y1183	L1036-A1134 HydrophobicContact CD2-CB 4.42Å; P1128-A1134 HydrophobicContact CB-CB 4.46Å; Y1132-A1134 PolarHBondContact O-N 3.17Å; A1134-Y1183 WeakPolarHBondContact CA-O 3.23Å; A1134-Y1183 VanDerWaalsContact CB-O 3.26Å; A1134-Y1183 WeakPolarHBondContact CB-O 3.36Å; A1134-Y1183 PolarHBondContact N-O 3Å
1135	C	92.4	Very high	93.8	Very high	6 Å²	6	20.9 Å²	20.9	4%	0.041	12%	0.119	C	C	.	.	B	Isolated β-bridge	trans	-147	72.6	177.8	-174.5	0	0	0	0	108.1	L1036 P1130 G1131 Y1132 E1137	L1036-C1135 HydrophobicContact CD1-CB 3.88Å; P1130-C1135 CarbonylContact C-O 3.54Å; P1130-C1135 WeakPolarHBondContact CA-O 3.25Å; G1131-C1135 PolarHBondContact N-O 3.07Å; Y1132-C1135 PolarHBondContact N-O 3.2Å; Y1132-C1135 CarbonylContact O-C 3.38Å; Y1132-C1135 PolarHBondContact O-N 3.12Å; C1135-E1137 PolarHBondContact O-N 2.73Å; C1135-E1137 VanDerWaalsContact O-N 3.1Å
1136	P	90.6	Very high	93.9	Very high	12 Å²	12	27 Å²	27	8%	0.078	15%	0.146	C	C	.	.			trans	-70.4	-9.3	-168.3	27.5	-36.2	0	0	0	114	L1022 Y1132 V1185 L1211	L1022-P1136 HydrophobicContact CD1-CG 4Å; Y1132-P1136 WeakPolarHBondContact O-CA 3.42Å; P1136-V1185 HydrophobicContact CG-CB 4.31Å; P1136-V1185 HydrophobicContact CG-CG2 4.44Å; P1136-L1211 HydrophobicContact CG-CD2 4.32Å
1137	E	90.2	Very high	93.9	Very high	3 Å²	3	27.5 Å²	27.5	1%	0.014	15%	0.148	C	C	.	.			trans	-82.1	130.4	-176.3	-152.8	-65.4	119.1	0	0	110.5	P1130 G1131 C1135 T1139 E1140 Y1196 L1211	P1130-E1137 WeakPolarHBondContact CB-O 3.38Å; G1131-E1137 PolarHBondContact N-O 2.7Å; C1135-E1137 PolarHBondContact O-N 2.73Å; C1135-E1137 VanDerWaalsContact O-N 3.1Å; E1137-T1139 WeakPolarHBondContact OE1-CB 2.99Å; E1137-T1139 WeakPolarHBondContact OE1-CG2 3.41Å; E1137-T1139 PolarHBondContact OE1-N 3.3Å; E1137-T1139 PolarHBondContact OE1-OG1 3.38Å; E1137-T1139 VanDerWaalsContact OE2-CA 3.26Å; E1137-T1139 WeakPolarHBondContact OE2-CA 3.43Å; E1137-T1139 VanDerWaalsContact OE2-CB 3.26Å; E1137-T1139 WeakPolarHBondContact OE2-CB 3.2Å; E1137-T1139 PolarHBondContact OE2-N 3.25Å; E1137-T1139 PolarHBondContact OE2-OG1 3.27Å; E1137-E1140 PolarHBondContact OE2-N 3.37Å; E1137-E1140 VanDerWaalsContact OE2-N 3.07Å; E1137-Y1196 HydrophobicContact CG-CE1 4.04Å; E1137-L1211 HydrophobicContact CB-CD2 3.86Å; E1137-L1211 HydrophobicContact CG-CD2 3.86Å; E1137-L1211 HydrophobicContact CG-CG 4.2Å
1138	H	91.3	Very high	94	Very high	13 Å²	13	25.6 Å²	25.6	6%	0.06	14%	0.141	C	C	.	.	S	Bend	trans	-87.4	-26.5	-173.9	-83.8	-102.9	0	0	0	114.1	E1140 K1141 F1162 W1210	H1138-E1140 PolarHBondContact O-N 2.63Å; H1138-K1141 PolarHBondContact ND1-NZ 2.65Å; H1138-K1141 VanDerWaalsContact ND1-NZ 3.12Å; H1138-K1141 WeakPolarHBondContact O-CB 3.4Å; H1138-K1141 WeakPolarHBondContact O-CG 3.38Å; H1138-K1141 PolarHBondContact O-N 2.91Å; H1138-K1141 VanDerWaalsContact O-N 3.13Å; H1138-F1162 HydrophobicContact CB-CB 4.12Å; H1138-W1210 HydrophobicContact CB-CE3 4.34Å; H1138-W1210 HydrophobicContact CB-CZ3 4.27Å
1139	T	94	Very high	94	Very high	8 Å²	8	30 Å²	30	5%	0.049	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-22.6	-177.9	78.1	0	0	0	0	113.3	E1137 K1141 A1142 F1162 K1200 M1202 W1210	E1137-T1139 WeakPolarHBondContact OE1-CB 2.99Å; E1137-T1139 WeakPolarHBondContact OE1-CG2 3.41Å; E1137-T1139 PolarHBondContact OE1-N 3.3Å; E1137-T1139 PolarHBondContact OE1-OG1 3.38Å; E1137-T1139 VanDerWaalsContact OE2-CA 3.26Å; E1137-T1139 WeakPolarHBondContact OE2-CA 3.43Å; E1137-T1139 VanDerWaalsContact OE2-CB 3.26Å; E1137-T1139 WeakPolarHBondContact OE2-CB 3.2Å; E1137-T1139 PolarHBondContact OE2-N 3.25Å; E1137-T1139 PolarHBondContact OE2-OG1 3.27Å; T1139-K1141 PolarHBondContact O-N 2.94Å; T1139-K1141 VanDerWaalsContact O-N 3.1Å; T1139-A1142 WeakPolarHBondContact O-CB 3.46Å; T1139-A1142 PolarHBondContact O-N 3.42Å; T1139-F1162 HydrophobicContact CG2-CD2 4.03Å; T1139-F1162 HydrophobicContact CG2-CE2 3.44Å; T1139-F1162 VanDerWaalsContact CG2-CE2 3.44Å; T1139-F1162 HydrophobicContact CG2-CZ 3.99Å; T1139-K1200 WeakPolarHBondContact OG1-CE 3.4Å; T1139-K1200 PolarHBondContact OG1-NZ 3.08Å; T1139-M1202 HydrophobicContact CG2-CE 4.37Å; T1139-W1210 HydrophobicContact CG2-CD2 4.08Å; T1139-W1210 HydrophobicContact CG2-CG 4.17Å
1140	E	95.3	Very high	94.2	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-59.9	-17.1	172.7	-71.4	-54.7	126.5	0	0	113.5	H1020 P1130 E1137 H1138 A1142 T1143 I1144 Y1196 K1200	H1020-E1140 WeakPolarHBondContact CB-OE1 3.46Å; H1020-E1140 IonicContact CD2-OE1 3.57Å; H1020-E1140 PolarHBondContact N-OE2 2.99Å; P1130-E1140 HydrophobicContact CB-CB 4.06Å; P1130-E1140 HydrophobicContact CG-CB 3.87Å; E1137-E1140 PolarHBondContact OE2-N 3.37Å; E1137-E1140 VanDerWaalsContact OE2-N 3.07Å; H1138-E1140 PolarHBondContact O-N 2.63Å; E1140-A1142 PolarHBondContact O-N 3.08Å; E1140-T1143 WeakPolarHBondContact O-CB 3.44Å; E1140-T1143 PolarHBondContact O-N 3.43Å; E1140-T1143 PolarHBondContact OE2-OG1 3.08Å; E1140-I1144 PolarHBondContact O-N 3.38Å; E1140-Y1196 PolarHBondContact OE1-OH 3.11Å; E1140-K1200 WeakPolarHBondContact OE1-CD 3.46Å; E1140-K1200 WeakPolarHBondContact OE1-CE 3.38Å; E1140-K1200 IonicContact OE1-NZ 3.21Å; E1140-K1200 PolarHBondContact OE1-NZ 2.77Å
1141	K	96.4	Very high	94.3	Very high	8 Å²	8	34.3 Å²	34.3	4%	0.035	18%	0.179	C	C	.	.	H	α-helix	trans	-60.6	-34.2	168.9	-66.7	179.5	-178.1	64	0	112	P1130 H1138 T1139 T1143 I1144 W1145 L1158 F1162 M1164	P1130-K1141 VanDerWaalsContact C-NZ 3.29Å; P1130-K1141 HydrophobicContact CB-CG 3.9Å; P1130-K1141 HydrophobicContact CG-CG 4.25Å; P1130-K1141 PolarHBondContact O-NZ 3.27Å; H1138-K1141 PolarHBondContact ND1-NZ 2.65Å; H1138-K1141 VanDerWaalsContact ND1-NZ 3.12Å; H1138-K1141 WeakPolarHBondContact O-CB 3.4Å; H1138-K1141 WeakPolarHBondContact O-CG 3.38Å; H1138-K1141 PolarHBondContact O-N 2.91Å; H1138-K1141 VanDerWaalsContact O-N 3.13Å; T1139-K1141 PolarHBondContact O-N 2.94Å; T1139-K1141 VanDerWaalsContact O-N 3.1Å; K1141-T1143 VanDerWaalsContact C-N 3.29Å; K1141-T1143 PolarHBondContact O-N 2.89Å; K1141-I1144 PolarHBondContact O-N 2.86Å; K1141-W1145 HydrophobicContact CB-CE3 4.44Å; K1141-W1145 PolarHBondContact O-N 3.45Å; K1141-L1158 HydrophobicContact CB-CD1 4.17Å; K1141-L1158 HydrophobicContact CB-CD2 4.11Å; K1141-L1158 HydrophobicContact CD-CD2 4.15Å; K1141-F1162 HydrophobicContact CD-CB 4.37Å; K1141-F1162 VanDerWaalsContact CD-O 3.24Å; K1141-F1162 WeakPolarHBondContact CD-O 3.26Å; K1141-M1164 HydrophobicContact CD-CG 4.27Å
1142	A	96	Very high	94.7	Very high	39 Å²	39	39.8 Å²	39.8	32%	0.322	20%	0.196	S	C	.	.	H	α-helix	trans	-60.6	-41.9	176.7	0	0	0	0	0	111.5	T1139 E1140 I1144 W1145 E1146 F1162	T1139-A1142 WeakPolarHBondContact O-CB 3.46Å; T1139-A1142 PolarHBondContact O-N 3.42Å; E1140-A1142 PolarHBondContact O-N 3.08Å; A1142-I1144 VanDerWaalsContact C-N 3.34Å; A1142-I1144 PolarHBondContact O-N 3.45Å; A1142-W1145 PolarHBondContact O-N 3.2Å; A1142-E1146 PolarHBondContact O-N 3.36Å; A1142-F1162 HydrophobicContact CB-CD1 4.47Å; A1142-F1162 HydrophobicContact CB-CE1 3.81Å
1143	T	96.5	Very high	95	Very high	10 Å²	10	35.2 Å²	35.2	6%	0.061	18%	0.18	C	C	.	.	H	α-helix	trans	-58.6	-46.1	175.8	-44.4	0	0	0	0	110.7	N1017 E1140 K1141 L1147 W1173	N1017-T1143 HydrophobicContact CB-CG2 4.45Å; E1140-T1143 WeakPolarHBondContact O-CB 3.44Å; E1140-T1143 PolarHBondContact O-N 3.43Å; E1140-T1143 PolarHBondContact OE2-OG1 3.08Å; K1141-T1143 VanDerWaalsContact C-N 3.29Å; K1141-T1143 PolarHBondContact O-N 2.89Å; T1143-L1147 WeakPolarHBondContact O-CB 3.48Å; T1143-L1147 PolarHBondContact O-N 3.03Å; T1143-W1173 HydrophobicContact CG2-CH2 3.97Å; T1143-W1173 HydrophobicContact CG2-CZ2 4.3Å
1144	I	98	Very high	95.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-63.3	-43.8	175.9	-62.6	173.6	0	0	0	110.8	A1053 P1130 E1140 K1141 A1142 E1146 L1147 L1148 W1173	A1053-I1144 HydrophobicContact CB-CG2 4.41Å; P1130-I1144 HydrophobicContact CG-CD1 3.95Å; E1140-I1144 PolarHBondContact O-N 3.38Å; K1141-I1144 PolarHBondContact O-N 2.86Å; A1142-I1144 VanDerWaalsContact C-N 3.34Å; A1142-I1144 PolarHBondContact O-N 3.45Å; I1144-E1146 PolarHBondContact O-N 2.82Å; I1144-L1147 PolarHBondContact O-N 3.33Å; I1144-L1148 HydrophobicContact CG2-CD1 3.81Å; I1144-L1148 HydrophobicContact CG2-CG 4.36Å; I1144-L1148 WeakPolarHBondContact O-CB 3.28Å; I1144-L1148 PolarHBondContact O-N 3.14Å; I1144-W1173 HydrophobicContact CD1-CD2 4.27Å; I1144-W1173 HydrophobicContact CD1-CZ2 4.04Å; I1144-W1173 HydrophobicContact CG1-CD2 4.28Å; I1144-W1173 HydrophobicContact CG1-CE3 4.4Å; I1144-W1173 HydrophobicContact CG1-CH2 3.62Å; I1144-W1173 HydrophobicContact CG1-CZ2 3.46Å; I1144-W1173 VanDerWaalsContact CG1-CZ2 3.46Å; I1144-W1173 HydrophobicContact CG1-CZ3 4.1Å
1145	W	97.8	Very high	95.6	Very high	19 Å²	19	32.6 Å²	32.6	7%	0.072	17%	0.167	C	C	.	.	H	α-helix	trans	-60.5	-44.7	-179.6	-111.3	-110.1	0	0	0	112.9	K1141 A1142 E1149 V1150 M1156 L1158 M1164	K1141-W1145 HydrophobicContact CB-CE3 4.44Å; K1141-W1145 PolarHBondContact O-N 3.45Å; A1142-W1145 PolarHBondContact O-N 3.2Å; W1145-E1149 WeakPolarHBondContact O-CA 3.43Å; W1145-E1149 PolarHBondContact O-N 2.93Å; W1145-E1149 VanDerWaalsContact O-N 3.12Å; W1145-V1150 HydrophobicContact CD2-CB 3.88Å; W1145-V1150 HydrophobicContact CD2-CG1 4.09Å; W1145-V1150 HydrophobicContact CD2-CG2 4.01Å; W1145-V1150 HydrophobicContact CE3-CG2 4.22Å; W1145-V1150 HydrophobicContact CG-CB 3.93Å; W1145-V1150 HydrophobicContact CG-CG2 4.18Å; W1145-V1150 HydrophobicContact CH2-CG1 4.3Å; W1145-V1150 HydrophobicContact CZ2-CB 4.47Å; W1145-V1150 HydrophobicContact CZ2-CG1 3.77Å; W1145-V1150 PolarHBondContact O-N 3.49Å; W1145-V1150 VanDerWaalsContact O-N 3.08Å; W1145-M1156 HydrophobicContact CH2-CE 4.02Å; W1145-M1156 HydrophobicContact CZ2-CB 3.95Å; W1145-M1156 HydrophobicContact CZ2-CE 4.31Å; W1145-M1156 PolarHBondContact NE1-O 3.29Å; W1145-L1158 HydrophobicContact CB-CD1 3.94Å; W1145-L1158 HydrophobicContact CD2-CD1 3.44Å; W1145-L1158 VanDerWaalsContact CD2-CD1 3.44Å; W1145-L1158 HydrophobicContact CD2-CD2 4.19Å; W1145-L1158 HydrophobicContact CD2-CG 3.64Å; W1145-L1158 HydrophobicContact CE3-CD1 3.77Å; W1145-L1158 HydrophobicContact CE3-CD2 4.11Å; W1145-L1158 HydrophobicContact CE3-CG 4.05Å; W1145-L1158 HydrophobicContact CG-CD1 3.51Å; W1145-L1158 HydrophobicContact CG-CG 4.04Å; W1145-L1158 HydrophobicContact CH2-CD2 3.91Å; W1145-L1158 HydrophobicContact CH2-CG 4.28Å; W1145-L1158 HydrophobicContact CZ2-CD2 3.97Å; W1145-L1158 HydrophobicContact CZ2-CG 3.89Å; W1145-L1158 HydrophobicContact CZ3-CD1 4.46Å; W1145-L1158 HydrophobicContact CZ3-CD2 3.96Å; W1145-L1158 HydrophobicContact CZ3-CG 4.34Å; W1145-M1164 HydrophobicContact CH2-CB 4.22Å; W1145-M1164 HydrophobicContact CH2-CG 3.48Å; W1145-M1164 VanDerWaalsContact CH2-CG 3.48Å; W1145-M1164 HydrophobicContact CH2-SD 3.64Å; W1145-M1164 HydrophobicContact CZ2-CG 4.33Å; W1145-M1164 HydrophobicContact CZ3-CG 4.05Å; W1145-M1164 HydrophobicContact CZ3-SD 3.96Å
1146	E	97.1	Very high	95.8	Very high	134 Å²	134	32.3 Å²	32.3	63%	0.626	17%	0.165	S	C	*	.	H	α-helix	trans	-67.8	-48.1	176.2	-177.2	-179.6	-165	0	0	111.2	N1017 A1142 I1144 L1148 E1149	N1017-E1146 PolarHBondContact ND2-OE2 3.01Å; N1017-E1146 VanDerWaalsContact ND2-OE2 3.14Å; A1142-E1146 PolarHBondContact O-N 3.36Å; I1144-E1146 PolarHBondContact O-N 2.82Å; E1146-L1148 VanDerWaalsContact C-N 3.34Å; E1146-L1148 PolarHBondContact O-N 3.29Å; E1146-E1149 PolarHBondContact O-N 2.74Å
1147	L	96.8	Very high	96	Very high	17 Å²	17	36.8 Å²	36.8	9%	0.089	18%	0.183	C	C	.	.	H	α-helix	trans	-63.3	-39	-174.9	-176.7	65.6	0	0	0	112.8	V924 F995 I1006 I1016 A1053 T1143 I1144 W1173	V924-L1147 WeakPolarHBondContact CG2-O 3.13Å; F995-L1147 HydrophobicContact CD1-CD1 4.16Å; F995-L1147 HydrophobicContact CD2-CD1 4.3Å; F995-L1147 HydrophobicContact CD2-CD2 3.78Å; F995-L1147 HydrophobicContact CD2-CG 4.17Å; F995-L1147 HydrophobicContact CE1-CD1 3.83Å; F995-L1147 HydrophobicContact CE1-CG 4.24Å; F995-L1147 HydrophobicContact CE2-CD1 3.98Å; F995-L1147 HydrophobicContact CE2-CD2 3.55Å; F995-L1147 HydrophobicContact CE2-CG 3.56Å; F995-L1147 HydrophobicContact CG-CD1 4.38Å; F995-L1147 HydrophobicContact CZ-CD1 3.72Å; F995-L1147 HydrophobicContact CZ-CD2 4.12Å; F995-L1147 HydrophobicContact CZ-CG 3.6Å; I1006-L1147 HydrophobicContact CD1-CD2 3.82Å; I1006-L1147 HydrophobicContact CG2-CD1 4.16Å; I1006-L1147 HydrophobicContact CG2-CD2 4.5Å; I1016-L1147 HydrophobicContact CD1-CD1 3.73Å; I1016-L1147 HydrophobicContact CG1-CD1 4.43Å; A1053-L1147 HydrophobicContact CB-CD2 4.34Å; T1143-L1147 WeakPolarHBondContact O-CB 3.48Å; T1143-L1147 PolarHBondContact O-N 3.03Å; I1144-L1147 PolarHBondContact O-N 3.33Å; L1147-W1173 HydrophobicContact CD2-CH2 4.49Å; L1147-W1173 HydrophobicContact CD2-CZ3 4.04Å
1148	L	97.9	Very high	96.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	1.1	-178.6	-58.9	-178	0	0	0	113.4	V924 V991 F995 A1053 I1144 E1146 V1150 H1153	V924-L1148 WeakPolarHBondContact CG1-O 3.21Å; V924-L1148 HydrophobicContact CG2-CD2 4.17Å; V991-L1148 HydrophobicContact CG1-CB 4.16Å; V991-L1148 HydrophobicContact CG1-CD1 4.14Å; V991-L1148 HydrophobicContact CG2-CB 4.23Å; F995-L1148 HydrophobicContact CE2-CD2 3.94Å; F995-L1148 HydrophobicContact CZ-CD2 4.11Å; A1053-L1148 HydrophobicContact CB-CD1 3.91Å; A1053-L1148 HydrophobicContact CB-CD2 4.16Å; A1053-L1148 HydrophobicContact CB-CG 4.14Å; I1144-L1148 HydrophobicContact CG2-CD1 3.81Å; I1144-L1148 HydrophobicContact CG2-CG 4.36Å; I1144-L1148 WeakPolarHBondContact O-CB 3.28Å; I1144-L1148 PolarHBondContact O-N 3.14Å; E1146-L1148 VanDerWaalsContact C-N 3.34Å; E1146-L1148 PolarHBondContact O-N 3.29Å; L1148-V1150 HydrophobicContact CB-CG2 3.73Å; L1148-V1150 HydrophobicContact CD1-CG2 4.4Å; L1148-V1150 PolarHBondContact O-N 3.02Å; L1148-H1153 PolarHBondContact O-CD2 3.41Å
1149	E	97	Very high	96.2	Very high	96 Å²	96	38.9 Å²	38.9	45%	0.449	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	44.8	46.6	-169.5	-62.4	-176.9	-97.7	0	0	112	W1145 E1146 E1151 K1152 H1153	W1145-E1149 WeakPolarHBondContact O-CA 3.43Å; W1145-E1149 PolarHBondContact O-N 2.93Å; W1145-E1149 VanDerWaalsContact O-N 3.12Å; E1146-E1149 PolarHBondContact O-N 2.74Å; E1149-E1151 PolarHBondContact O-N 3.26Å; E1149-K1152 HydrophobicContact CB-CB 4.33Å; E1149-K1152 HydrophobicContact CB-CD 4.22Å; E1149-K1152 WeakPolarHBondContact O-CB 3.37Å; E1149-K1152 PolarHBondContact O-N 3Å; E1149-K1152 IonicContact OE1-NZ 3.31Å; E1149-K1152 PolarHBondContact OE1-NZ 3.46Å; E1149-K1152 WeakPolarHBondContact OE2-CD 3.47Å; E1149-K1152 IonicContact OE2-NZ 3.09Å; E1149-K1152 PolarHBondContact OE2-NZ 2.94Å; E1149-H1153 PolarHBondContact O-CD2 2.97Å; E1149-H1153 PolarHBondContact O-N 3.44Å
1150	V	98	Very high	95.8	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-54	-46.4	-164.4	176.3	0	0	0	0	112.7	V991 A1055 W1145 L1148 K1152 H1153 T1154 M1156	V991-V1150 HydrophobicContact CG1-CG1 4.49Å; V991-V1150 HydrophobicContact CG1-CG2 4.09Å; A1055-V1150 HydrophobicContact CB-CG1 3.83Å; A1055-V1150 HydrophobicContact CB-CG2 3.81Å; W1145-V1150 HydrophobicContact CD2-CB 3.88Å; W1145-V1150 HydrophobicContact CD2-CG1 4.09Å; W1145-V1150 HydrophobicContact CD2-CG2 4.01Å; W1145-V1150 HydrophobicContact CE3-CG2 4.22Å; W1145-V1150 HydrophobicContact CG-CB 3.93Å; W1145-V1150 HydrophobicContact CG-CG2 4.18Å; W1145-V1150 HydrophobicContact CH2-CG1 4.3Å; W1145-V1150 HydrophobicContact CZ2-CB 4.47Å; W1145-V1150 HydrophobicContact CZ2-CG1 3.77Å; W1145-V1150 PolarHBondContact O-N 3.49Å; W1145-V1150 VanDerWaalsContact O-N 3.08Å; L1148-V1150 HydrophobicContact CB-CG2 3.73Å; L1148-V1150 HydrophobicContact CD1-CG2 4.4Å; L1148-V1150 PolarHBondContact O-N 3.02Å; V1150-K1152 PolarHBondContact O-N 3.47Å; V1150-H1153 PolarHBondContact O-N 2.89Å; V1150-H1153 VanDerWaalsContact O-N 3.15Å; V1150-T1154 WeakPolarHBondContact CG1-OG1 3.27Å; V1150-T1154 PolarHBondContact O-N 3.14Å; V1150-T1154 PolarHBondContact O-OG1 3.45Å; V1150-M1156 HydrophobicContact CG1-CB 4.08Å; V1150-M1156 HydrophobicContact CG1-SD 4.15Å
1151	E	97.1	Very high	95.2	Very high	108 Å²	108	45.4 Å²	45.4	51%	0.505	23%	0.227	S	C	.	.	H	α-helix	trans	-60.3	-34.3	-177.7	-49.2	-157.1	152.9	0	0	112.7	E1149 G1155 M1156	E1149-E1151 PolarHBondContact O-N 3.26Å; E1151-G1155 VanDerWaalsContact O-CA 3.22Å; E1151-G1155 WeakPolarHBondContact O-CA 3.33Å; E1151-G1155 PolarHBondContact O-N 2.69Å; E1151-G1155 VanDerWaalsContact O-N 3.08Å; E1151-M1156 WeakPolarHBondContact CA-O 3.36Å; E1151-M1156 WeakPolarHBondContact CG-O 3.32Å
1152	K	96.5	Very high	95	Very high	139 Å²	139	47.2 Å²	47.2	60%	0.604	24%	0.235	S	C	*	.	H	α-helix	trans	-73	-38	179.7	170.1	-172.4	166.3	-159.7	0	111.6	E1149 V1150	E1149-K1152 HydrophobicContact CB-CB 4.33Å; E1149-K1152 HydrophobicContact CB-CD 4.22Å; E1149-K1152 WeakPolarHBondContact O-CB 3.37Å; E1149-K1152 PolarHBondContact O-N 3Å; E1149-K1152 IonicContact OE1-NZ 3.31Å; E1149-K1152 PolarHBondContact OE1-NZ 3.46Å; E1149-K1152 WeakPolarHBondContact OE2-CD 3.47Å; E1149-K1152 IonicContact OE2-NZ 3.09Å; E1149-K1152 PolarHBondContact OE2-NZ 2.94Å; V1150-K1152 PolarHBondContact O-N 3.47Å
1153	H	96.9	Very high	94.7	Very high	40 Å²	40	45.5 Å²	45.5	19%	0.185	22%	0.221	C	C	.	.	H	α-helix	trans	-89.2	-33.3	-173.6	-72.1	-62.6	0	0	0	113.6	E926 V991 L1148 E1149 V1150	E926-H1153 HydrophobicContact CG-CB 3.83Å; E926-H1153 WeakPolarHBondContact CG-ND1 3.37Å; E926-H1153 IonicContact OE1-CE1 3.32Å; E926-H1153 IonicContact OE1-CG 3.36Å; E926-H1153 IonicContact OE1-ND1 3.71Å; E926-H1153 PolarHBondContact OE1-ND1 3.25Å; V991-H1153 HydrophobicContact CB-CB 4.17Å; V991-H1153 HydrophobicContact CG2-CB 4.05Å; L1148-H1153 PolarHBondContact O-CD2 3.41Å; E1149-H1153 PolarHBondContact O-CD2 2.97Å; E1149-H1153 PolarHBondContact O-N 3.44Å; V1150-H1153 PolarHBondContact O-N 2.89Å; V1150-H1153 VanDerWaalsContact O-N 3.15Å
1154	T	96	Very high	94.6	Very high	3 Å²	3	46.3 Å²	46.3	2%	0.018	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.6	-23.9	-176.7	68.5	0	0	0	0	113.6	R989 V991 L1060 V1150 M1156	R989-T1154 WeakPolarHBondContact CD-O 3.22Å; V991-T1154 HydrophobicContact CB-CG2 3.97Å; V991-T1154 HydrophobicContact CG1-CG2 3.78Å; L1060-T1154 WeakPolarHBondContact CD1-O 3.25Å; V1150-T1154 WeakPolarHBondContact CG1-OG1 3.27Å; V1150-T1154 PolarHBondContact O-N 3.14Å; V1150-T1154 PolarHBondContact O-OG1 3.45Å; T1154-M1156 VanDerWaalsContact C-N 3.29Å; T1154-M1156 HydrophobicContact CG2-SD 4.21Å; T1154-M1156 WeakPolarHBondContact OG1-CB 3.43Å; T1154-M1156 WeakPolarHBondContact OG1-CG 3.38Å; T1154-M1156 PolarHBondContact OG1-N 3.31Å; T1154-M1156 PolarHBondContact OG1-SD 3.08Å
1155	G	95.5	Very high	94.2	Very high	29 Å²	29	51.2 Å²	51.2	30%	0.299	24%	0.243	S	C	.	.			trans	82.3	-0.8	-171.7	0	0	0	0	0	114.7	E1151	E1151-G1155 VanDerWaalsContact O-CA 3.22Å; E1151-G1155 WeakPolarHBondContact O-CA 3.33Å; E1151-G1155 PolarHBondContact O-N 2.69Å; E1151-G1155 VanDerWaalsContact O-N 3.08Å
1156	M	97	Very high	93.9	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.242	C	C	.	.			trans	-67.1	149	174.9	-59.9	158	70.8	0	0	110.7	A1055 V1056 T1057 L1060 W1145 V1150 E1151 T1154 W1165 S1169	A1055-M1156 HydrophobicContact CB-CE 4.32Å; A1055-M1156 HydrophobicContact CB-SD 4.39Å; V1056-M1156 VanDerWaalsContact O-CE 3.28Å; V1056-M1156 WeakPolarHBondContact O-CE 3.35Å; T1057-M1156 HydrophobicContact CG2-CG 3.79Å; T1057-M1156 HydrophobicContact CG2-SD 3.94Å; L1060-M1156 HydrophobicContact CD2-CG 4.43Å; W1145-M1156 HydrophobicContact CH2-CE 4.02Å; W1145-M1156 HydrophobicContact CZ2-CB 3.95Å; W1145-M1156 HydrophobicContact CZ2-CE 4.31Å; W1145-M1156 PolarHBondContact NE1-O 3.29Å; V1150-M1156 HydrophobicContact CG1-CB 4.08Å; V1150-M1156 HydrophobicContact CG1-SD 4.15Å; E1151-M1156 WeakPolarHBondContact CA-O 3.36Å; E1151-M1156 WeakPolarHBondContact CG-O 3.32Å; T1154-M1156 VanDerWaalsContact C-N 3.29Å; T1154-M1156 HydrophobicContact CG2-SD 4.21Å; T1154-M1156 WeakPolarHBondContact OG1-CB 3.43Å; T1154-M1156 WeakPolarHBondContact OG1-CG 3.38Å; T1154-M1156 PolarHBondContact OG1-N 3.31Å; T1154-M1156 PolarHBondContact OG1-SD 3.08Å; M1156-W1165 WeakPolarHBondContact CA-O 3.21Å; M1156-S1169 WeakPolarHBondContact CE-OG 3.5Å
1157	K	95.5	Very high	93.4	Very high	106 Å²	106	45.1 Å²	45.1	46%	0.461	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	162.7	-178.8	-61.7	179.2	-175.3	171.9	0	111.5	M1164 W1165	K1157-M1164 CarbonylContact O-C 3.6Å; K1157-M1164 WeakPolarHBondContact O-CA 3.38Å; K1157-W1165 HydrophobicContact CD-CE3 4.49Å; K1157-W1165 PolarHBondContact N-O 3.39Å; K1157-W1165 PolarHBondContact O-N 2.82Å
1158	L	94.3	Very high	93.4	Very high	41 Å²	41	44.3 Å²	44.3	22%	0.215	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	138.3	167.6	-69.5	168.6	0	0	0	110.5	K1141 W1145 F1162 A1163 M1164	K1141-L1158 HydrophobicContact CB-CD1 4.17Å; K1141-L1158 HydrophobicContact CB-CD2 4.11Å; K1141-L1158 HydrophobicContact CD-CD2 4.15Å; W1145-L1158 HydrophobicContact CB-CD1 3.94Å; W1145-L1158 HydrophobicContact CD2-CD1 3.44Å; W1145-L1158 VanDerWaalsContact CD2-CD1 3.44Å; W1145-L1158 HydrophobicContact CD2-CD2 4.19Å; W1145-L1158 HydrophobicContact CD2-CG 3.64Å; W1145-L1158 HydrophobicContact CE3-CD1 3.77Å; W1145-L1158 HydrophobicContact CE3-CD2 4.11Å; W1145-L1158 HydrophobicContact CE3-CG 4.05Å; W1145-L1158 HydrophobicContact CG-CD1 3.51Å; W1145-L1158 HydrophobicContact CG-CG 4.04Å; W1145-L1158 HydrophobicContact CH2-CD2 3.91Å; W1145-L1158 HydrophobicContact CH2-CG 4.28Å; W1145-L1158 HydrophobicContact CZ2-CD2 3.97Å; W1145-L1158 HydrophobicContact CZ2-CG 3.89Å; W1145-L1158 HydrophobicContact CZ3-CD1 4.46Å; W1145-L1158 HydrophobicContact CZ3-CD2 3.96Å; W1145-L1158 HydrophobicContact CZ3-CG 4.34Å; L1158-F1162 HydrophobicContact CD1-CD1 4.22Å; L1158-A1163 CarbonylContact C-O 3.58Å; L1158-A1163 WeakPolarHBondContact CA-O 3.38Å; L1158-M1164 HydrophobicContact CD2-CG 3.89Å
1159	T	90.4	Very high	93.3	Very high	19 Å²	19	44.9 Å²	44.9	12%	0.117	22%	0.22	C	C	.	.			trans	-76	171.7	168.6	70.1	0	0	0	0	111.1	G749 V751 M776 S1161 F1162 A1163	G749-T1159 PolarHBondContact O-OG1 3.45Å; V751-T1159 HydrophobicContact CG1-CG2 3.73Å; M776-T1159 HydrophobicContact SD-CG2 3.89Å; T1159-S1161 PolarHBondContact O-N 3.41Å; T1159-S1161 VanDerWaalsContact O-N 3.11Å; T1159-S1161 PolarHBondContact OG1-N 3Å; T1159-S1161 PolarHBondContact OG1-OG 3.03Å; T1159-S1161 VanDerWaalsContact OG1-OG 3.04Å; T1159-F1162 PolarHBondContact O-N 3.45Å; T1159-A1163 HydrophobicContact CG2-CB 4.04Å; T1159-A1163 PolarHBondContact N-O 3.16Å; T1159-A1163 WeakPolarHBondContact OG1-CB 3.46Å; T1159-A1163 PolarHBondContact OG1-N 3.12Å
1160	E	84.9	Confident	93.3	Very high	135 Å²	135	40.9 Å²	40.9	63%	0.631	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-18.3	174.4	70.7	-169.4	132.8	0	0	113.5	K748	K748-E1160 WeakPolarHBondContact CE-OE1 3.24Å; K748-E1160 VanDerWaalsContact CE-OE2 3.32Å; K748-E1160 WeakPolarHBondContact CE-OE2 3.44Å; K748-E1160 IonicContact NZ-OE1 2.78Å; K748-E1160 PolarHBondContact NZ-OE1 2.92Å; K748-E1160 IonicContact NZ-OE2 2.97Å; K748-E1160 PolarHBondContact NZ-OE2 3.46Å
1161	S	84.2	Confident	93.3	Very high	11 Å²	11	41 Å²	41	8%	0.077	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	10	175.4	63	0	0	0	0	113.8	G749 T1159 A1163	G749-S1161 VanDerWaalsContact CA-OG 3.27Å; G749-S1161 WeakPolarHBondContact CA-OG 3.1Å; G749-S1161 PolarHBondContact O-OG 3.19Å; T1159-S1161 PolarHBondContact O-N 3.41Å; T1159-S1161 VanDerWaalsContact O-N 3.11Å; T1159-S1161 PolarHBondContact OG1-N 3Å; T1159-S1161 PolarHBondContact OG1-OG 3.03Å; T1159-S1161 VanDerWaalsContact OG1-OG 3.04Å; S1161-A1163 VanDerWaalsContact C-N 3.3Å; S1161-A1163 PolarHBondContact O-N 3.03Å
1162	F	91.8	Very high	93.3	Very high	45 Å²	45	35.8 Å²	35.8	20%	0.197	18%	0.179	C	C	.	.			trans	61.4	28.5	-173.7	-55.4	-78.6	0	0	0	114.8	H1138 T1139 K1141 A1142 L1158 T1159 W1210	H1138-F1162 HydrophobicContact CB-CB 4.12Å; T1139-F1162 HydrophobicContact CG2-CD2 4.03Å; T1139-F1162 HydrophobicContact CG2-CE2 3.44Å; T1139-F1162 VanDerWaalsContact CG2-CE2 3.44Å; T1139-F1162 HydrophobicContact CG2-CZ 3.99Å; K1141-F1162 HydrophobicContact CD-CB 4.37Å; K1141-F1162 VanDerWaalsContact CD-O 3.24Å; K1141-F1162 WeakPolarHBondContact CD-O 3.26Å; A1142-F1162 HydrophobicContact CB-CD1 4.47Å; A1142-F1162 HydrophobicContact CB-CE1 3.81Å; L1158-F1162 HydrophobicContact CD1-CD1 4.22Å; T1159-F1162 PolarHBondContact O-N 3.45Å; F1162-W1210 AromaticContact CD2-CH2 3.37Å; F1162-W1210 HydrophobicContact CD2-CH2 3.37Å; F1162-W1210 AromaticContact CD2-CZ2 3.84Å; F1162-W1210 HydrophobicContact CD2-CZ2 3.84Å; F1162-W1210 AromaticContact CD2-CZ3 3.8Å; F1162-W1210 HydrophobicContact CD2-CZ3 3.8Å; F1162-W1210 AromaticContact CE2-CH2 3.69Å; F1162-W1210 HydrophobicContact CE2-CH2 3.69Å; F1162-W1210 AromaticContact CE2-CZ2 3.63Å; F1162-W1210 HydrophobicContact CE2-CZ2 3.63Å; F1162-W1210 HydrophobicContact CE2-CZ3 4.41Å
1163	A	88.8	Confident	93.4	Very high	3 Å²	3	29.2 Å²	29.2	3%	0.025	15%	0.15	C	C	.	.			trans	-73.3	139.1	162	0	0	0	0	0	109.2	G749 V751 I800 L1158 T1159 S1161	G749-A1163 WeakPolarHBondContact O-CB 3.42Å; V751-A1163 HydrophobicContact CG2-CB 4.18Å; I800-A1163 HydrophobicContact CD1-CB 4.14Å; L1158-A1163 CarbonylContact C-O 3.58Å; L1158-A1163 WeakPolarHBondContact CA-O 3.38Å; T1159-A1163 HydrophobicContact CG2-CB 4.04Å; T1159-A1163 PolarHBondContact N-O 3.16Å; T1159-A1163 WeakPolarHBondContact OG1-CB 3.46Å; T1159-A1163 PolarHBondContact OG1-N 3.12Å; S1161-A1163 VanDerWaalsContact C-N 3.3Å; S1161-A1163 PolarHBondContact O-N 3.03Å
1164	M	94.2	Very high	93.4	Very high	27 Å²	27	27.3 Å²	27.3	13%	0.133	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	141.4	175	-61.7	178.8	-80.1	0	0	109.4	V751 K1141 W1145 K1157 L1158 P1166 S1169 S1171	V751-M1164 WeakPolarHBondContact CG2-O 3.45Å; K1141-M1164 HydrophobicContact CD-CG 4.27Å; W1145-M1164 HydrophobicContact CH2-CB 4.22Å; W1145-M1164 HydrophobicContact CH2-CG 3.48Å; W1145-M1164 VanDerWaalsContact CH2-CG 3.48Å; W1145-M1164 HydrophobicContact CH2-SD 3.64Å; W1145-M1164 HydrophobicContact CZ2-CG 4.33Å; W1145-M1164 HydrophobicContact CZ3-CG 4.05Å; W1145-M1164 HydrophobicContact CZ3-SD 3.96Å; K1157-M1164 CarbonylContact O-C 3.6Å; K1157-M1164 WeakPolarHBondContact O-CA 3.38Å; L1158-M1164 HydrophobicContact CD2-CG 3.89Å; M1164-P1166 CarbonylContact C-O 3.56Å; M1164-P1166 CarbonylContact O-C 3.57Å; M1164-P1166 VanDerWaalsContact O-O 3.13Å; M1164-S1169 WeakPolarHBondContact CE-O 3.46Å; M1164-S1171 PolarHBondContact SD-OG 2.91Å; M1164-S1171 VanDerWaalsContact SD-OG 3.37Å
1165	W	89.6	Confident	93.5	Very high	103 Å²	103	27.2 Å²	27.2	39%	0.39	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	122.1	178.7	-173	33.5	0	0	0	110.1	D1063 M1156 K1157	D1063-W1165 PolarHBondContact OD2-NE1 3.36Å; M1156-W1165 WeakPolarHBondContact CA-O 3.21Å; K1157-W1165 HydrophobicContact CD-CE3 4.49Å; K1157-W1165 PolarHBondContact N-O 3.39Å; K1157-W1165 PolarHBondContact O-N 2.82Å
1166	P	92.4	Very high	93.6	Very high	8 Å²	8	26 Å²	26	5%	0.052	13%	0.127	C	C	.	.	S	Bend	cis	-55.8	157.3	3.3	-22.4	32.1	0	0	0	115.3	G1059 L1060 E1062 M1164 A1168 S1169	G1059-P1166 WeakPolarHBondContact O-CG 3.48Å; L1060-P1166 HydrophobicContact CD2-CG 3.83Å; E1062-P1166 WeakPolarHBondContact OE2-CB 3.13Å; M1164-P1166 CarbonylContact C-O 3.56Å; M1164-P1166 CarbonylContact O-C 3.57Å; M1164-P1166 VanDerWaalsContact O-O 3.13Å; P1166-A1168 VanDerWaalsContact C-N 3.28Å; P1166-A1168 PolarHBondContact O-N 2.89Å; P1166-S1169 VanDerWaalsContact O-CB 3.23Å; P1166-S1169 WeakPolarHBondContact O-CB 3.34Å; P1166-S1169 PolarHBondContact O-OG 2.95Å
1167	G	87.7	Confident	93.5	Very high	17 Å²	17	26 Å²	26	18%	0.175	13%	0.128	C	C	.	.	S	Bend	trans	-63.5	-34.7	179.4	0	0	0	0	0	112.5	S1169	G1167-S1169 PolarHBondContact O-N 3.31Å
1168	A	94.7	Very high	93.5	Very high	1 Å²	1	24 Å²	24	1%	0.008	13%	0.125	C	C	.	.	S	Bend	trans	-73.6	70.1	172.6	0	0	0	0	0	112.3	T1057 G1058 E1062 A1085 D1086 A1089 P1166	T1057-A1168 WeakPolarHBondContact CA-O 3.37Å; T1057-A1168 PolarHBondContact OG1-O 3.25Å; G1058-A1168 PolarHBondContact N-O 3.49Å; E1062-A1168 VanDerWaalsContact OE2-CB 3.25Å; E1062-A1168 WeakPolarHBondContact OE2-CB 3.29Å; E1062-A1168 PolarHBondContact OE2-N 3.3Å; A1085-A1168 HydrophobicContact CB-CB 3.62Å; D1086-A1168 HydrophobicContact CB-CB 4.41Å; A1089-A1168 WeakPolarHBondContact CB-O 3.49Å; P1166-A1168 VanDerWaalsContact C-N 3.28Å; P1166-A1168 PolarHBondContact O-N 2.89Å
1169	S	96.6	Very high	93.5	Very high	11 Å²	11	25.9 Å²	25.9	8%	0.077	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	141.2	-173.2	-70.2	0	0	0	0	112.1	V1056 T1057 M1156 M1164 P1166 G1167	V1056-S1169 CarbonylContact O-C 3.6Å; V1056-S1169 WeakPolarHBondContact O-CA 3.35Å; T1057-S1169 PolarHBondContact OG1-OG 2.96Å; M1156-S1169 WeakPolarHBondContact CE-OG 3.5Å; M1164-S1169 WeakPolarHBondContact CE-O 3.46Å; P1166-S1169 VanDerWaalsContact O-CB 3.23Å; P1166-S1169 WeakPolarHBondContact O-CB 3.34Å; P1166-S1169 PolarHBondContact O-OG 2.95Å; G1167-S1169 PolarHBondContact O-N 3.31Å
1170	V	96.5	Very high	93.7	Very high	13 Å²	13	25.6 Å²	25.6	8%	0.079	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	138.1	178.5	-173.2	0	0	0	0	109.7	F1054 A1055 V1056 A1089 E1090 A1093	F1054-V1170 HydrophobicContact CE2-CB 4.39Å; F1054-V1170 HydrophobicContact CE2-CG1 3.9Å; F1054-V1170 HydrophobicContact CZ-CG1 4.08Å; A1055-V1170 CarbonylContact C-O 3.59Å; A1055-V1170 WeakPolarHBondContact CA-O 3.31Å; V1056-V1170 HydrophobicContact CG2-CB 3.95Å; V1056-V1170 PolarHBondContact N-O 3.06Å; V1056-V1170 PolarHBondContact O-N 3.13Å; A1089-V1170 HydrophobicContact CB-CG2 4.12Å; E1090-V1170 HydrophobicContact CG-CG2 4.28Å; A1093-V1170 HydrophobicContact CB-CB 4.26Å; A1093-V1170 HydrophobicContact CB-CG1 4.07Å
1171	S	97.9	Very high	94	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.007	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	146.9	174	70.6	0	0	0	0	110.9	F1054 A1129 M1164	F1054-S1171 VanDerWaalsContact O-CA 3.23Å; F1054-S1171 WeakPolarHBondContact O-CA 3.45Å; F1054-S1171 WeakPolarHBondContact O-CB 3.38Å; A1129-S1171 WeakPolarHBondContact CB-O 3.5Å; M1164-S1171 PolarHBondContact SD-OG 2.91Å; M1164-S1171 VanDerWaalsContact SD-OG 3.37Å
1172	G	97.7	Very high	94.4	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.1	-173.9	178.7	0	0	0	0	0	114	A1053 F1054 P1128	A1053-G1172 WeakPolarHBondContact CA-O 3.48Å; F1054-G1172 WeakPolarHBondContact CD1-O 3.38Å; F1054-G1172 PolarHBondContact N-O 3.39Å; F1054-G1172 PolarHBondContact O-N 3.41Å; F1054-G1172 VanDerWaalsContact O-N 3.08Å; P1128-G1172 WeakPolarHBondContact O-CA 3.34Å
1173	W	98	Very high	94.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	156.4	177.3	-57.7	107.5	0	0	0	110.5	I1006 I1051 G1052 A1053 R1127 P1128 T1143 I1144 L1147 F1175	I1006-W1173 HydrophobicContact CD1-CH2 4.39Å; I1006-W1173 HydrophobicContact CD1-CZ3 4.17Å; I1051-W1173 HydrophobicContact CD1-CD2 4.29Å; I1051-W1173 HydrophobicContact CD1-CE3 3.85Å; I1051-W1173 HydrophobicContact CD1-CZ3 4.44Å; I1051-W1173 HydrophobicContact CG1-CE3 4.31Å; G1052-W1173 CarbonylContact O-C 3.41Å; G1052-W1173 VanDerWaalsContact O-CA 3.31Å; G1052-W1173 WeakPolarHBondContact O-CA 3.41Å; A1053-W1173 HydrophobicContact CB-CE3 3.76Å; A1053-W1173 HydrophobicContact CB-CZ3 3.76Å; R1127-W1173 CarbonylContact C-O 3.59Å; R1127-W1173 VanDerWaalsContact C-O 3.31Å; R1127-W1173 WeakPolarHBondContact CA-O 3.08Å; P1128-W1173 WeakPolarHBondContact CD-O 3.49Å; P1128-W1173 HydrophobicContact CG-CB 4.45Å; P1128-W1173 PolarHBondContact O-N 3.16Å; T1143-W1173 HydrophobicContact CG2-CH2 3.97Å; T1143-W1173 HydrophobicContact CG2-CZ2 4.3Å; I1144-W1173 HydrophobicContact CD1-CD2 4.27Å; I1144-W1173 HydrophobicContact CD1-CZ2 4.04Å; I1144-W1173 HydrophobicContact CG1-CD2 4.28Å; I1144-W1173 HydrophobicContact CG1-CE3 4.4Å; I1144-W1173 HydrophobicContact CG1-CH2 3.62Å; I1144-W1173 HydrophobicContact CG1-CZ2 3.46Å; I1144-W1173 VanDerWaalsContact CG1-CZ2 3.46Å; I1144-W1173 HydrophobicContact CG1-CZ3 4.1Å; L1147-W1173 HydrophobicContact CD2-CH2 4.49Å; L1147-W1173 HydrophobicContact CD2-CZ3 4.04Å; W1173-F1175 HydrophobicContact CB-CD2 4.4Å; W1173-F1175 HydrophobicContact CB-CE2 3.71Å; W1173-F1175 HydrophobicContact CB-CZ 4.43Å
1174	Y	98.2	Very high	94.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	132.4	169.6	-68.4	-56	0	0	0	110.8	V992 G1052 F1054 H1097 V1100 R1127	V992-Y1174 HydrophobicContact CG2-CE2 4.06Å; G1052-Y1174 PolarHBondContact N-O 3.49Å; G1052-Y1174 VanDerWaalsContact N-O 3.16Å; G1052-Y1174 PolarHBondContact O-N 2.87Å; F1054-Y1174 HydrophobicContact CB-CE2 3.7Å; F1054-Y1174 HydrophobicContact CD1-CD1 4.33Å; F1054-Y1174 HydrophobicContact CD1-CD2 4.18Å; F1054-Y1174 AromaticContact CD1-CE1 3.73Å; F1054-Y1174 HydrophobicContact CD1-CE1 3.73Å; F1054-Y1174 AromaticContact CD1-CE2 3.57Å; F1054-Y1174 HydrophobicContact CD1-CE2 3.57Å; F1054-Y1174 AromaticContact CD1-CZ 3.31Å; F1054-Y1174 WeakPolarHBondContact CD1-OH 3.31Å; F1054-Y1174 AromaticContact CE1-CE1 3.9Å; F1054-Y1174 HydrophobicContact CE1-CE1 3.9Å; F1054-Y1174 AromaticContact CE1-CZ 3.92Å; F1054-Y1174 AromaticContact CG-CE2 3.91Å; F1054-Y1174 HydrophobicContact CG-CE2 3.91Å; F1054-Y1174 AromaticContact CG-CZ 3.73Å; F1054-Y1174 WeakPolarHBondContact CG-OH 3.43Å; H1097-Y1174 HydrophobicContact CB-CE1 3.61Å; H1097-Y1174 AromaticContact CD2-CD1 3.5Å; H1097-Y1174 VanDerWaalsContact CD2-CD1 3.5Å; H1097-Y1174 WeakPolarHBondContact CD2-CD1 3.34Å; H1097-Y1174 AromaticContact CD2-CE1 3.41Å; H1097-Y1174 VanDerWaalsContact CD2-CE1 3.41Å; H1097-Y1174 WeakPolarHBondContact CD2-CE1 3.26Å; H1097-Y1174 AromaticContact CG-CD1 3.94Å; H1097-Y1174 AromaticContact CG-CE1 3.43Å; H1097-Y1174 VanDerWaalsContact CG-CE1 3.43Å; H1097-Y1174 PolarHBondContact N-OH 2.92Å; H1097-Y1174 AromaticContact NE2-CD1 3.84Å; V1100-Y1174 HydrophobicContact CB-CE2 4.39Å; V1100-Y1174 HydrophobicContact CG1-CD2 4.18Å; V1100-Y1174 HydrophobicContact CG1-CG 4.43Å; V1100-Y1174 HydrophobicContact CG2-CD2 4.13Å; V1100-Y1174 HydrophobicContact CG2-CE2 3.73Å; R1127-Y1174 HydrophobicContact CB-CD1 3.67Å; R1127-Y1174 HydrophobicContact CB-CE1 3.6Å
1175	F	98	Very high	94.4	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.009	14%	0.139	C	C	.	.	B	Isolated β-bridge	trans	-120.3	132.1	172.5	-64.6	-95.5	0	0	0	109.3	I1004 L1036 F1039 V1040 I1051 G1125 I1126 P1128 W1173	I1004-F1175 HydrophobicContact CD1-CE1 3.78Å; I1004-F1175 HydrophobicContact CD1-CZ 4.03Å; L1036-F1175 HydrophobicContact CB-CE2 4.47Å; L1036-F1175 HydrophobicContact CB-CZ 3.95Å; L1036-F1175 HydrophobicContact CD2-CE2 4.42Å; L1036-F1175 WeakPolarHBondContact O-CE1 3.47Å; F1039-F1175 HydrophobicContact CB-CD1 3.92Å; V1040-F1175 HydrophobicContact CG2-CD1 3.87Å; V1040-F1175 HydrophobicContact CG2-CE1 3.8Å; I1051-F1175 HydrophobicContact CD1-CE1 4.47Å; I1051-F1175 HydrophobicContact CD1-CZ 4.25Å; G1125-F1175 CarbonylContact C-O 3.43Å; G1125-F1175 WeakPolarHBondContact CA-O 3.39Å; I1126-F1175 HydrophobicContact CD1-CD2 4.4Å; I1126-F1175 HydrophobicContact CG1-CB 3.92Å; I1126-F1175 HydrophobicContact CG1-CD2 4.08Å; I1126-F1175 HydrophobicContact CG1-CG 4.33Å; I1126-F1175 PolarHBondContact N-O 3.06Å; I1126-F1175 VanDerWaalsContact N-O 3.11Å; I1126-F1175 PolarHBondContact O-N 3.11Å; P1128-F1175 HydrophobicContact CG-CD2 3.78Å; P1128-F1175 HydrophobicContact CG-CE2 3.54Å; W1173-F1175 HydrophobicContact CB-CD2 4.4Å; W1173-F1175 HydrophobicContact CB-CE2 3.71Å; W1173-F1175 HydrophobicContact CB-CZ 4.43Å
1176	S	96.8	Very high	94.3	Very high	3 Å²	3	24 Å²	24	2%	0.021	14%	0.141	C	C	.	.			trans	-95.4	-12.9	-178.8	62.8	0	0	0	0	114	P917 W1105 Y1107 Q1124	P917-S1176 WeakPolarHBondContact CG-OG 3.29Å; W1105-S1176 WeakPolarHBondContact CH2-OG 3.26Å; W1105-S1176 VanDerWaalsContact CZ2-CB 3.49Å; W1105-S1176 WeakPolarHBondContact CZ2-OG 3.34Å; Y1107-S1176 VanDerWaalsContact CD1-CB 3.41Å; Y1107-S1176 VanDerWaalsContact CE1-CB 3.44Å; Q1124-S1176 PolarHBondContact NE2-O 3.2Å
1177	H	96.3	Very high	94.2	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	16%	0.157	C	C	.	.			trans	-59.5	131.4	-173.4	-167.6	-76.2	0	0	0	111.1	F909 W911 Y914 F1039 D1179 S1180	F909-H1177 AromaticContact CD1-NE2 3.63Å; F909-H1177 AromaticContact CD2-CE1 3.98Å; F909-H1177 AromaticContact CE1-NE2 3.27Å; F909-H1177 VanDerWaalsContact CE1-NE2 3.27Å; F909-H1177 WeakPolarHBondContact CE1-NE2 3.43Å; F909-H1177 AromaticContact CE2-CE1 3.67Å; F909-H1177 AromaticContact CE2-NE2 3.72Å; F909-H1177 AromaticContact CG-NE2 3.99Å; F909-H1177 AromaticContact CZ-CE1 3.72Å; F909-H1177 AromaticContact CZ-NE2 3.33Å; F909-H1177 VanDerWaalsContact CZ-NE2 3.33Å; F909-H1177 WeakPolarHBondContact CZ-NE2 3.47Å; W911-H1177 AromaticContact CH2-CD2 3.75Å; Y914-H1177 AromaticContact CE1-CD2 3.83Å; F1039-H1177 HydrophobicContact CB-CB 3.99Å; F1039-H1177 WeakPolarHBondContact O-CB 3.37Å; H1177-D1179 VanDerWaalsContact C-N 3.3Å; H1177-D1179 IonicContact CE1-OD2 3.85Å; H1177-D1179 PolarHBondContact ND1-N 3.13Å; H1177-D1179 PolarHBondContact O-N 3.39Å; H1177-S1180 VanDerWaalsContact O-CB 3.28Å; H1177-S1180 WeakPolarHBondContact O-CB 3.47Å; H1177-S1180 PolarHBondContact O-N 3.01Å; H1177-S1180 PolarHBondContact O-OG 3.48Å
1178	P	94.1	Very high	94.4	Very high	63 Å²	63	26.8 Å²	26.8	41%	0.409	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-35	-175.2	23.4	-33.6	0	0	0	113.5	Y914 Q1124 S1180	Y914-P1178 HydrophobicContact CE2-CG 4.43Å; Q1124-P1178 HydrophobicContact CG-CB 4.27Å; P1178-S1180 VanDerWaalsContact C-N 3.29Å; P1178-S1180 PolarHBondContact O-N 3.16Å
1179	D	94.2	Very high	94.4	Very high	81 Å²	81	28.6 Å²	28.6	43%	0.433	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	5.5	177.2	-55.6	-29	0	0	0	114.1	F907 F909 F1039 H1177	F907-D1179 HydrophobicContact CE1-CB 4.45Å; F907-D1179 HydrophobicContact CZ-CB 3.76Å; F909-D1179 WeakPolarHBondContact CE2-OD2 3.45Å; F1039-D1179 WeakPolarHBondContact CE1-O 3.3Å; H1177-D1179 VanDerWaalsContact C-N 3.3Å; H1177-D1179 IonicContact CE1-OD2 3.85Å; H1177-D1179 PolarHBondContact ND1-N 3.13Å; H1177-D1179 PolarHBondContact O-N 3.39Å
1180	S	95	Very high	94.3	Very high	12 Å²	12	33.2 Å²	33.2	8%	0.084	17%	0.173	C	C	.	.			trans	-66.7	139.6	175.7	66.2	0	0	0	0	110.6	G1125 H1177 P1178	G1125-S1180 WeakPolarHBondContact CA-OG 2.87Å; H1177-S1180 VanDerWaalsContact O-CB 3.28Å; H1177-S1180 WeakPolarHBondContact O-CB 3.47Å; H1177-S1180 PolarHBondContact O-N 3.01Å; H1177-S1180 PolarHBondContact O-OG 3.48Å; P1178-S1180 VanDerWaalsContact C-N 3.29Å; P1178-S1180 PolarHBondContact O-N 3.16Å
1181	K	92.3	Very high	94.4	Very high	85 Å²	85	35 Å²	35	37%	0.37	18%	0.182	S	C	.	.			trans	-153.3	154.7	-174.3	61.2	-175.4	175.3	-174.8	0	112.1	Y1034 F1039 Y1183	Y1034-K1181 WeakPolarHBondContact OH-CE 3.35Å; Y1034-K1181 PolarHBondContact OH-NZ 3.5Å; F1039-K1181 HydrophobicContact CZ-CG 4.26Å; K1181-Y1183 WeakPolarHBondContact O-CD1 3.25Å
1182	Y	92.5	Very high	94.3	Very high	83 Å²	83	35 Å²	35	33%	0.325	18%	0.182	S	C	.	.			trans	-72.6	141.6	169.5	-60.3	-71.4	0	0	0	111.2	E1121 I1126 R1127 P1128	E1121-Y1182 VanDerWaalsContact CD-CE2 3.5Å; E1121-Y1182 WeakPolarHBondContact OE1-CE2 3.34Å; E1121-Y1182 VanDerWaalsContact OE2-CD2 3.28Å; E1121-Y1182 WeakPolarHBondContact OE2-CD2 3.36Å; E1121-Y1182 VanDerWaalsContact OE2-CE2 3.28Å; E1121-Y1182 WeakPolarHBondContact OE2-CE2 3.41Å; I1126-Y1182 HydrophobicContact CB-CE1 4.06Å; I1126-Y1182 HydrophobicContact CB-CE2 4.13Å; I1126-Y1182 HydrophobicContact CG2-CD2 4.12Å; I1126-Y1182 HydrophobicContact CG2-CE2 3.87Å; R1127-Y1182 WeakPolarHBondContact CG-OH 3.32Å; R1127-Y1182 PolarHBondContact N-OH 2.84Å; P1128-Y1182 HydrophobicContact CB-CD1 4.5Å; P1128-Y1182 HydrophobicContact CB-CE1 4.13Å
1183	Y	91.5	Very high	94.3	Very high	26 Å²	26	35 Å²	35	10%	0.102	18%	0.182	C	C	.	.			trans	-152.2	164.8	174.8	63.1	-90.9	0	0	0	109	Q1024 Y1034 C1035 L1036 F1039 P1133 A1134 K1181 V1185	Q1024-Y1183 HydrophobicContact CG-CD2 4.03Å; Q1024-Y1183 HydrophobicContact CG-CE2 4.19Å; Y1034-Y1183 HydrophobicContact CG-CD1 4.35Å; C1035-Y1183 WeakPolarHBondContact CA-OH 3.41Å; L1036-Y1183 HydrophobicContact CD2-CE1 4.01Å; L1036-Y1183 HydrophobicContact CG-CE1 4.39Å; L1036-Y1183 PolarHBondContact N-OH 3.11Å; F1039-Y1183 HydrophobicContact CE2-CE1 4.28Å; P1133-Y1183 CarbonylContact C-O 3.59Å; A1134-Y1183 WeakPolarHBondContact CA-O 3.23Å; A1134-Y1183 VanDerWaalsContact CB-O 3.26Å; A1134-Y1183 WeakPolarHBondContact CB-O 3.36Å; A1134-Y1183 PolarHBondContact N-O 3Å; K1181-Y1183 WeakPolarHBondContact O-CD1 3.25Å; Y1183-V1185 HydrophobicContact CE2-CG2 4.08Å
1184	A	91.2	Very high	94.2	Very high	44 Å²	44	39.5 Å²	39.5	36%	0.364	20%	0.203	S	C	.	.			trans	-98.5	129.1	172.7	0	0	0	0	0	110.7	Q1024 P1133 A1186	Q1024-A1184 PolarHBondContact NE2-O 3.03Å; P1133-A1184 HydrophobicContact CB-CB 3.91Å; P1133-A1184 WeakPolarHBondContact O-CA 3.45Å; A1184-A1186 PolarHBondContact O-N 3.43Å
1185	V	91.3	Very high	94.2	Very high	1 Å²	1	40 Å²	40	1%	0.006	21%	0.206	C	C	.	.			trans	-61	-33.5	173	173.3	0	0	0	0	111.1	L1022 P1133 P1136 Y1183 I1188	L1022-V1185 HydrophobicContact CB-CG1 3.91Å; L1022-V1185 HydrophobicContact CB-CG2 4.18Å; L1022-V1185 HydrophobicContact CD1-CG1 4.5Å; P1133-V1185 PolarHBondContact O-N 3.24Å; P1136-V1185 HydrophobicContact CG-CB 4.31Å; P1136-V1185 HydrophobicContact CG-CG2 4.44Å; Y1183-V1185 HydrophobicContact CE2-CG2 4.08Å; V1185-I1188 HydrophobicContact CG1-CG2 3.7Å
1186	A	87.2	Confident	94.1	Very high	53 Å²	53	40.1 Å²	40.1	44%	0.438	21%	0.206	S	C	.	.			trans	58.6	-141	-177.6	0	0	0	0	0	112.5	A1184 N1214	A1184-A1186 PolarHBondContact O-N 3.43Å; A1186-N1214 PolarHBondContact O-ND2 3.41Å
1187	Q	89.6	Confident	94.1	Very high	82 Å²	82	40.1 Å²	40.1	38%	0.383	21%	0.206	S	C	.	.			trans	-78.8	135.2	-178.5	-73.3	-175.4	-36.9	0	0	112.4	N1214	Q1187-N1214 CarbonylContact C-O 3.49Å; Q1187-N1214 VanDerWaalsContact CA-O 3.23Å; Q1187-N1214 WeakPolarHBondContact CA-O 3.34Å
1188	I	93.5	Very high	94.2	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-113.2	152.2	175.2	65.9	173.8	0	0	0	111.2	V1185 Q1192 V1193 L1211 N1214 L1215 G1216	V1185-I1188 HydrophobicContact CG1-CG2 3.7Å; I1188-Q1192 VanDerWaalsContact CG2-NE2 3.3Å; I1188-V1193 HydrophobicContact CD1-CG2 3.62Å; I1188-V1193 HydrophobicContact CG1-CG2 4.08Å; I1188-L1211 HydrophobicContact CD1-CB 4.36Å; I1188-L1211 HydrophobicContact CD1-CD1 3.69Å; I1188-N1214 HydrophobicContact CG1-CB 4.41Å; I1188-N1214 WeakPolarHBondContact CG1-O 3.21Å; I1188-N1214 PolarHBondContact N-O 3.12Å; I1188-L1215 HydrophobicContact CG1-CD2 4.45Å; I1188-G1216 WeakPolarHBondContact O-CA 3.38Å; I1188-G1216 PolarHBondContact O-N 3.4Å
1189	Q	94.6	Very high	94.2	Very high	40 Å²	40	48 Å²	48	19%	0.187	23%	0.227	C	C	.	.			trans	-98.5	164.2	-178.5	-50.8	-52.2	-62.3	0	0	110.8	P896 Q1025 D1191 Q1192 V1193	P896-Q1189 HydrophobicContact CB-CG 3.99Å; Q1025-Q1189 HydrophobicContact CB-CG 4.22Å; Q1189-D1191 VanDerWaalsContact C-N 3.25Å; Q1189-D1191 VanDerWaalsContact CB-OD1 3.31Å; Q1189-D1191 WeakPolarHBondContact CB-OD1 3.36Å; Q1189-D1191 PolarHBondContact O-N 2.72Å; Q1189-Q1192 PolarHBondContact O-N 3.24Å; Q1189-Q1192 VanDerWaalsContact O-N 3.13Å; Q1189-V1193 PolarHBondContact O-N 3.18Å
1190	R	94.8	Very high	94.2	Very high	108 Å²	108	46.3 Å²	46.3	41%	0.408	22%	0.216	S	C	.	.	H	α-helix	trans	-58.7	-34.6	-174.5	-170.9	171.8	-178.1	144.3	6.4	113.3	Q1192 V1193 E1194 Y1217 D1220	R1190-Q1192 PolarHBondContact O-N 3.02Å; R1190-V1193 PolarHBondContact O-N 3.5Å; R1190-E1194 HydrophobicContact CG-CG 4.45Å; R1190-E1194 IonicContact NE-OE1 3.04Å; R1190-E1194 PolarHBondContact NE-OE1 3.07Å; R1190-E1194 WeakPolarHBondContact O-CG 3.45Å; R1190-E1194 PolarHBondContact O-N 2.79Å; R1190-Y1217 VanDerWaalsContact CA-CE1 3.41Å; R1190-Y1217 HydrophobicContact CB-CD1 4.21Å; R1190-Y1217 HydrophobicContact CB-CE1 3.76Å; R1190-Y1217 HydrophobicContact CB-CE2 4.2Å; R1190-Y1217 HydrophobicContact CG-CE1 4.47Å; R1190-Y1217 HydrophobicContact CG-CE2 4.21Å; R1190-Y1217 VanDerWaalsContact N-CE1 3.26Å; R1190-D1220 IonicContact CZ-OD2 3.2Å; R1190-D1220 IonicContact NH1-OD2 3.34Å; R1190-D1220 PolarHBondContact NH1-OD2 3.27Å; R1190-D1220 IonicContact NH2-OD2 2.71Å; R1190-D1220 PolarHBondContact NH2-OD2 2.92Å
1191	D	96.9	Very high	94.2	Very high	51 Å²	51	49.1 Å²	49.1	27%	0.273	25%	0.247	S	C	.	.	H	α-helix	trans	-64	-36.9	177.9	62	-14.8	0	0	0	113.1	T898 L899 Q1025 Q1189 D1195	T898-D1191 WeakPolarHBondContact CA-OD2 3.45Å; L899-D1191 PolarHBondContact N-OD2 3.4Å; Q1025-D1191 PolarHBondContact NE2-OD1 3Å; Q1189-D1191 VanDerWaalsContact C-N 3.25Å; Q1189-D1191 VanDerWaalsContact CB-OD1 3.31Å; Q1189-D1191 WeakPolarHBondContact CB-OD1 3.36Å; Q1189-D1191 PolarHBondContact O-N 2.72Å; D1191-D1195 VanDerWaalsContact O-CB 3.28Å; D1191-D1195 WeakPolarHBondContact O-CB 3.45Å; D1191-D1195 PolarHBondContact O-N 3.26Å
1192	Q	97.6	Very high	94.3	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-72.7	-35.8	173.3	-179.6	163.7	-145.8	0	0	112.6	L899 L1022 R1023 I1188 Q1189 R1190 D1195 Y1196	L899-Q1192 HydrophobicContact CB-CB 4.46Å; L899-Q1192 HydrophobicContact CD1-CB 4.1Å; L899-Q1192 HydrophobicContact CD1-CG 4.08Å; L899-Q1192 HydrophobicContact CD2-CB 4.3Å; L1022-Q1192 HydrophobicContact CD2-CG 4.23Å; R1023-Q1192 PolarHBondContact O-NE2 2.79Å; R1023-Q1192 PolarHBondContact O-OE1 3.05Å; I1188-Q1192 VanDerWaalsContact CG2-NE2 3.3Å; Q1189-Q1192 PolarHBondContact O-N 3.24Å; Q1189-Q1192 VanDerWaalsContact O-N 3.13Å; R1190-Q1192 PolarHBondContact O-N 3.02Å; Q1192-D1195 PolarHBondContact O-N 3.46Å; Q1192-Y1196 WeakPolarHBondContact O-CB 3.34Å; Q1192-Y1196 PolarHBondContact O-N 3.22Å
1193	V	96.5	Very high	94.4	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-62.2	-46.9	173.8	172.2	0	0	0	0	110.7	I1188 Q1189 R1190 Y1196 A1197 V1204 V1207 E1208 L1215 Y1217	I1188-V1193 HydrophobicContact CD1-CG2 3.62Å; I1188-V1193 HydrophobicContact CG1-CG2 4.08Å; Q1189-V1193 PolarHBondContact O-N 3.18Å; R1190-V1193 PolarHBondContact O-N 3.5Å; V1193-Y1196 PolarHBondContact O-N 3.19Å; V1193-A1197 VanDerWaalsContact O-CB 3.23Å; V1193-A1197 WeakPolarHBondContact O-CB 2.74Å; V1193-A1197 PolarHBondContact O-N 3.27Å; V1193-V1204 HydrophobicContact CG1-CG1 4.06Å; V1193-V1207 HydrophobicContact CG1-CB 4.25Å; V1193-V1207 HydrophobicContact CG1-CG1 3.88Å; V1193-E1208 HydrophobicContact CG1-CG 3.74Å; V1193-L1215 HydrophobicContact CG2-CD2 3.78Å; V1193-Y1217 HydrophobicContact CG2-CE1 4.2Å; V1193-Y1217 WeakPolarHBondContact CG2-OH 3.49Å
1194	E	97.2	Very high	94.5	Very high	94 Å²	94	46.7 Å²	46.7	44%	0.439	25%	0.251	S	S	.	.	H	α-helix	trans	-63.4	-41.9	176.8	-71.6	173.5	179.9	0	0	112.2	R1190 R1198 V1204	R1190-E1194 HydrophobicContact CG-CG 4.45Å; R1190-E1194 IonicContact NE-OE1 3.04Å; R1190-E1194 PolarHBondContact NE-OE1 3.07Å; R1190-E1194 WeakPolarHBondContact O-CG 3.45Å; R1190-E1194 PolarHBondContact O-N 2.79Å; E1194-R1198 WeakPolarHBondContact O-CB 3.41Å; E1194-R1198 PolarHBondContact O-N 3.36Å; E1194-R1198 VanDerWaalsContact O-N 3.12Å; E1194-V1204 HydrophobicContact CG-CG2 4.11Å
1195	D	97.5	Very high	94.5	Very high	12 Å²	12	49.6 Å²	49.6	6%	0.064	26%	0.264	C	S	.	.	H	α-helix	trans	-63.1	-47.3	175.1	178.6	74.2	0	0	0	112.2	L899 R903 D1191 Q1192 R1198 R1199	L899-D1195 HydrophobicContact CD2-CB 3.58Å; R903-D1195 IonicContact CZ-OD2 3.84Å; R903-D1195 IonicContact NH2-OD1 3.79Å; R903-D1195 IonicContact NH2-OD2 3.12Å; R903-D1195 PolarHBondContact NH2-OD2 3.44Å; D1191-D1195 VanDerWaalsContact O-CB 3.28Å; D1191-D1195 WeakPolarHBondContact O-CB 3.45Å; D1191-D1195 PolarHBondContact O-N 3.26Å; Q1192-D1195 PolarHBondContact O-N 3.46Å; D1195-R1198 PolarHBondContact O-N 2.79Å; D1195-R1198 IonicContact OD1-CZ 3.28Å; D1195-R1198 IonicContact OD1-NH2 3.15Å; D1195-R1198 PolarHBondContact OD1-NH2 2.92Å; D1195-R1199 WeakPolarHBondContact O-CG 3.48Å; D1195-R1199 PolarHBondContact O-N 2.69Å; D1195-R1199 IonicContact OD2-CZ 2.76Å; D1195-R1199 IonicContact OD2-NE 3.35Å; D1195-R1199 PolarHBondContact OD2-NE 3.39Å; D1195-R1199 IonicContact OD2-NH2 3.31Å; D1195-R1199 PolarHBondContact OD2-NH2 3.21Å; D1195-R1199 VanDerWaalsContact OD2-NH2 3.12Å
1196	Y	96.3	Very high	94.4	Very high	3 Å²	3	54.2 Å²	54.2	1%	0.012	29%	0.286	C	S	.	.	H	α-helix	trans	-65.4	-43.8	179.5	-173	-95.9	0	0	0	111.6	H1020 L1022 E1137 E1140 Q1192 V1193 R1198 R1199 K1200 V1207	H1020-Y1196 HydrophobicContact CB-CE2 3.7Å; L1022-Y1196 HydrophobicContact CD2-CD2 3.61Å; L1022-Y1196 HydrophobicContact CD2-CE2 4.08Å; L1022-Y1196 HydrophobicContact CD2-CG 3.92Å; L1022-Y1196 HydrophobicContact CG-CD2 4.35Å; L1022-Y1196 HydrophobicContact CG-CE2 4.36Å; E1137-Y1196 HydrophobicContact CG-CE1 4.04Å; E1140-Y1196 PolarHBondContact OE1-OH 3.11Å; Q1192-Y1196 WeakPolarHBondContact O-CB 3.34Å; Q1192-Y1196 PolarHBondContact O-N 3.22Å; V1193-Y1196 PolarHBondContact O-N 3.19Å; Y1196-R1198 VanDerWaalsContact C-N 3.31Å; Y1196-R1198 PolarHBondContact O-N 3.39Å; Y1196-R1199 PolarHBondContact O-N 2.85Å; Y1196-R1199 VanDerWaalsContact O-N 3.12Å; Y1196-K1200 HydrophobicContact CD1-CG 4.08Å; Y1196-K1200 HydrophobicContact CE1-CD 4.36Å; Y1196-K1200 HydrophobicContact CE1-CG 3.61Å; Y1196-K1200 HydrophobicContact CE2-CG 4.19Å; Y1196-K1200 PolarHBondContact O-N 3.44Å; Y1196-V1207 HydrophobicContact CD1-CG1 3.78Å; Y1196-V1207 HydrophobicContact CD1-CG2 4.13Å; Y1196-V1207 HydrophobicContact CE1-CG1 4.48Å
1197	A	96.2	Very high	94.6	Very high	3 Å²	3	51.8 Å²	51.8	3%	0.025	27%	0.265	C	S	.	.	H	α-helix	trans	-56.1	-45.4	174.6	0	0	0	0	0	111.8	V1193 G1201 M1202 V1204 V1207	V1193-A1197 VanDerWaalsContact O-CB 3.23Å; V1193-A1197 WeakPolarHBondContact O-CB 2.74Å; V1193-A1197 PolarHBondContact O-N 3.27Å; A1197-G1201 PolarHBondContact O-N 3.34Å; A1197-M1202 CarbonylContact C-O 3.59Å; A1197-M1202 WeakPolarHBondContact CB-O 3.39Å; A1197-M1202 PolarHBondContact O-N 3.13Å; A1197-V1204 HydrophobicContact CB-CG2 4.14Å; A1197-V1207 HydrophobicContact CB-CB 4.36Å; A1197-V1207 HydrophobicContact CB-CG2 3.69Å
1198	R	97.4	Very high	94.7	Very high	182 Å²	182	48.8 Å²	48.8	69%	0.687	25%	0.251	S	S	*	.	H	α-helix	trans	-62.6	-43.6	174.7	177.2	-177.2	60.2	-164.4	-3.4	112.4	E1194 D1195 Y1196 G1201	E1194-R1198 WeakPolarHBondContact O-CB 3.41Å; E1194-R1198 PolarHBondContact O-N 3.36Å; E1194-R1198 VanDerWaalsContact O-N 3.12Å; D1195-R1198 PolarHBondContact O-N 2.79Å; D1195-R1198 IonicContact OD1-CZ 3.28Å; D1195-R1198 IonicContact OD1-NH2 3.15Å; D1195-R1198 PolarHBondContact OD1-NH2 2.92Å; Y1196-R1198 VanDerWaalsContact C-N 3.31Å; Y1196-R1198 PolarHBondContact O-N 3.39Å; R1198-G1201 PolarHBondContact O-N 3.44Å
1199	R	95.9	Very high	94.2	Very high	47 Å²	47	55.3 Å²	55.3	18%	0.177	28%	0.276	C	S	.	.	H	α-helix	trans	-64	-42.5	179.3	-75.9	-174.4	-74.8	126.1	-7.8	112.2	D1003 H1020 H1021 D1195 Y1196	D1003-R1199 IonicContact OD1-CZ 3.36Å; D1003-R1199 IonicContact OD1-NH1 3.23Å; D1003-R1199 PolarHBondContact OD1-NH1 3.44Å; D1003-R1199 VanDerWaalsContact OD2-CD 3.27Å; D1003-R1199 WeakPolarHBondContact OD2-CD 3.24Å; H1020-R1199 PolarHBondContact CE1-O 2.77Å; H1021-R1199 PolarHBondContact O-NH1 2.88Å; H1021-R1199 VanDerWaalsContact O-NH1 3.14Å; H1021-R1199 PolarHBondContact O-NH2 2.88Å; D1195-R1199 WeakPolarHBondContact O-CG 3.48Å; D1195-R1199 PolarHBondContact O-N 2.69Å; D1195-R1199 IonicContact OD2-CZ 2.76Å; D1195-R1199 IonicContact OD2-NE 3.35Å; D1195-R1199 PolarHBondContact OD2-NE 3.39Å; D1195-R1199 IonicContact OD2-NH2 3.31Å; D1195-R1199 PolarHBondContact OD2-NH2 3.21Å; D1195-R1199 VanDerWaalsContact OD2-NH2 3.12Å; Y1196-R1199 PolarHBondContact O-N 2.85Å; Y1196-R1199 VanDerWaalsContact O-N 3.12Å
1200	K	93.7	Very high	93.8	Very high	46 Å²	46	55 Å²	55	20%	0.2	27%	0.273	C	S	.	.	H	α-helix	trans	-78.9	-16	178.3	-73.1	-78.7	-78.9	-168.8	0	114.4	H1020 T1139 E1140 Y1196 M1202	H1020-K1200 HydrophobicContact CB-CD 3.91Å; H1020-K1200 HydrophobicContact CB-CG 4.33Å; H1020-K1200 WeakPolarHBondContact CD2-CD 3.44Å; T1139-K1200 WeakPolarHBondContact OG1-CE 3.4Å; T1139-K1200 PolarHBondContact OG1-NZ 3.08Å; E1140-K1200 WeakPolarHBondContact OE1-CD 3.46Å; E1140-K1200 WeakPolarHBondContact OE1-CE 3.38Å; E1140-K1200 IonicContact OE1-NZ 3.21Å; E1140-K1200 PolarHBondContact OE1-NZ 2.77Å; Y1196-K1200 HydrophobicContact CD1-CG 4.08Å; Y1196-K1200 HydrophobicContact CE1-CD 4.36Å; Y1196-K1200 HydrophobicContact CE1-CG 3.61Å; Y1196-K1200 HydrophobicContact CE2-CG 4.19Å; Y1196-K1200 PolarHBondContact O-N 3.44Å; K1200-M1202 VanDerWaalsContact C-N 3.32Å; K1200-M1202 HydrophobicContact CB-CB 4.4Å; K1200-M1202 HydrophobicContact CB-CG 3.99Å; K1200-M1202 HydrophobicContact CB-SD 4.01Å
1201	G	94.2	Very high	93.5	Very high	71 Å²	71	49.9 Å²	49.9	73%	0.732	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.4	27.7	-171.5	0	0	0	0	0	113.6	A1197 R1198	A1197-G1201 PolarHBondContact O-N 3.34Å; R1198-G1201 PolarHBondContact O-N 3.44Å
1202	M	94.7	Very high	92.7	Very high	42 Å²	42	49.4 Å²	49.4	21%	0.207	26%	0.257	C	S	.	.			trans	-102.5	159.2	177.7	-68.2	174.2	65.5	0	0	110.8	T1139 A1197 K1200 E1206 V1207	T1139-M1202 HydrophobicContact CG2-CE 4.37Å; A1197-M1202 CarbonylContact C-O 3.59Å; A1197-M1202 WeakPolarHBondContact CB-O 3.39Å; A1197-M1202 PolarHBondContact O-N 3.13Å; K1200-M1202 VanDerWaalsContact C-N 3.32Å; K1200-M1202 HydrophobicContact CB-CB 4.4Å; K1200-M1202 HydrophobicContact CB-CG 3.99Å; K1200-M1202 HydrophobicContact CB-SD 4.01Å; M1202-E1206 HydrophobicContact CE-CB 3.86Å; M1202-V1207 HydrophobicContact CB-CG2 3.91Å; M1202-V1207 HydrophobicContact CE-CG2 4.32Å; M1202-V1207 HydrophobicContact SD-CG2 4.43Å
1203	S	94.9	Very high	91.7	Very high	54 Å²	54	52.6 Å²	52.6	38%	0.378	28%	0.278	S	S	.	.			trans	-71.9	152.7	168.8	69	0	0	0	0	111.2	T1205 E1206 V1207	S1203-T1205 VanDerWaalsContact C-N 3.27Å; S1203-T1205 PolarHBondContact O-N 2.88Å; S1203-E1206 VanDerWaalsContact CB-OE2 3.31Å; S1203-E1206 WeakPolarHBondContact CB-OE2 3.44Å; S1203-E1206 PolarHBondContact N-OE2 3.25Å; S1203-E1206 PolarHBondContact O-N 2.79Å; S1203-E1206 VanDerWaalsContact O-N 3.14Å; S1203-E1206 WeakPolarHBondContact OG-CB 3.2Å; S1203-E1206 VanDerWaalsContact OG-CD 3.31Å; S1203-E1206 WeakPolarHBondContact OG-CG 3.35Å; S1203-E1206 PolarHBondContact OG-N 3.02Å; S1203-E1206 PolarHBondContact OG-OE2 2.58Å; S1203-V1207 PolarHBondContact O-N 2.74Å; S1203-V1207 VanDerWaalsContact O-N 3.1Å
1204	V	93.5	Very high	91.3	Very high	48 Å²	48	53.8 Å²	53.8	29%	0.291	28%	0.284	S	S	.	.	H	α-helix	trans	-55.8	-45	176	171.8	0	0	0	0	110.7	V1193 E1194 A1197 E1206 V1207 E1208	V1193-V1204 HydrophobicContact CG1-CG1 4.06Å; E1194-V1204 HydrophobicContact CG-CG2 4.11Å; A1197-V1204 HydrophobicContact CB-CG2 4.14Å; V1204-E1206 VanDerWaalsContact C-N 3.31Å; V1204-E1206 PolarHBondContact O-N 2.9Å; V1204-V1207 PolarHBondContact O-N 3.31Å; V1204-V1207 VanDerWaalsContact O-N 3.13Å; V1204-E1208 HydrophobicContact CG1-CG 4.18Å; V1204-E1208 WeakPolarHBondContact O-CB 3.19Å; V1204-E1208 WeakPolarHBondContact O-CG 3.47Å; V1204-E1208 PolarHBondContact O-N 3.14Å
1205	T	90.5	Very high	90.8	Very high	104 Å²	104	50.3 Å²	50.3	64%	0.638	27%	0.269	S	S	*	.	H	α-helix	trans	-60.6	-37.1	178.3	-51.4	0	0	0	0	112.9	S1203 R1209	S1203-T1205 VanDerWaalsContact C-N 3.27Å; S1203-T1205 PolarHBondContact O-N 2.88Å; T1205-R1209 PolarHBondContact O-N 2.96Å; T1205-R1209 VanDerWaalsContact O-N 3.09Å
1206	E	89.2	Confident	90.2	Very high	99 Å²	99	51.1 Å²	51.1	46%	0.463	28%	0.28	S	S	.	.	H	α-helix	trans	-67.1	-43.8	174.6	-75.6	167.4	118.1	0	0	111.5	M1202 S1203 V1204 R1209 W1210	M1202-E1206 HydrophobicContact CE-CB 3.86Å; S1203-E1206 VanDerWaalsContact CB-OE2 3.31Å; S1203-E1206 WeakPolarHBondContact CB-OE2 3.44Å; S1203-E1206 PolarHBondContact N-OE2 3.25Å; S1203-E1206 PolarHBondContact O-N 2.79Å; S1203-E1206 VanDerWaalsContact O-N 3.14Å; S1203-E1206 WeakPolarHBondContact OG-CB 3.2Å; S1203-E1206 VanDerWaalsContact OG-CD 3.31Å; S1203-E1206 WeakPolarHBondContact OG-CG 3.35Å; S1203-E1206 PolarHBondContact OG-N 3.02Å; S1203-E1206 PolarHBondContact OG-OE2 2.58Å; V1204-E1206 VanDerWaalsContact C-N 3.31Å; V1204-E1206 PolarHBondContact O-N 2.9Å; E1206-R1209 WeakPolarHBondContact O-CB 3.3Å; E1206-R1209 PolarHBondContact O-N 2.8Å; E1206-W1210 PolarHBondContact O-N 2.71Å; E1206-W1210 VanDerWaalsContact O-N 3.13Å
1207	V	92.4	Very high	89.5	Confident	2 Å²	2	53.2 Å²	53.2	1%	0.012	29%	0.288	C	S	.	.	H	α-helix	trans	-64.3	-42.7	176.9	175.8	0	0	0	0	111.4	V1193 Y1196 A1197 M1202 S1203 V1204 R1209 W1210 L1211	V1193-V1207 HydrophobicContact CG1-CB 4.25Å; V1193-V1207 HydrophobicContact CG1-CG1 3.88Å; Y1196-V1207 HydrophobicContact CD1-CG1 3.78Å; Y1196-V1207 HydrophobicContact CD1-CG2 4.13Å; Y1196-V1207 HydrophobicContact CE1-CG1 4.48Å; A1197-V1207 HydrophobicContact CB-CB 4.36Å; A1197-V1207 HydrophobicContact CB-CG2 3.69Å; M1202-V1207 HydrophobicContact CB-CG2 3.91Å; M1202-V1207 HydrophobicContact CE-CG2 4.32Å; M1202-V1207 HydrophobicContact SD-CG2 4.43Å; S1203-V1207 PolarHBondContact O-N 2.74Å; S1203-V1207 VanDerWaalsContact O-N 3.1Å; V1204-V1207 PolarHBondContact O-N 3.31Å; V1204-V1207 VanDerWaalsContact O-N 3.13Å; V1207-R1209 PolarHBondContact O-N 2.94Å; V1207-W1210 PolarHBondContact O-N 3.34Å; V1207-L1211 HydrophobicContact CG1-CD1 3.71Å; V1207-L1211 HydrophobicContact CG1-CG 4.42Å; V1207-L1211 WeakPolarHBondContact O-CB 3.28Å; V1207-L1211 PolarHBondContact O-N 3.07Å
1208	E	90.2	Very high	88.4	Confident	19 Å²	19	59.3 Å²	59.3	9%	0.089	32%	0.32	C	S	.	.	H	α-helix	trans	-59.2	-37.2	176	-73.8	176.2	150.2	0	0	111.9	V1193 V1204 L1211 A1212 L1215 Y1217 A1219	V1193-E1208 HydrophobicContact CG1-CG 3.74Å; V1204-E1208 HydrophobicContact CG1-CG 4.18Å; V1204-E1208 WeakPolarHBondContact O-CB 3.19Å; V1204-E1208 WeakPolarHBondContact O-CG 3.47Å; V1204-E1208 PolarHBondContact O-N 3.14Å; E1208-L1211 CarbonylContact O-C 3.46Å; E1208-A1212 VanDerWaalsContact O-CA 3.26Å; E1208-A1212 WeakPolarHBondContact O-CA 3.42Å; E1208-A1212 WeakPolarHBondContact O-CB 3.37Å; E1208-A1212 PolarHBondContact O-N 2.88Å; E1208-L1215 HydrophobicContact CB-CD1 4.08Å; E1208-L1215 HydrophobicContact CG-CD1 4.21Å; E1208-L1215 HydrophobicContact CG-CD2 4.45Å; E1208-Y1217 WeakPolarHBondContact OE1-CE2 3.48Å; E1208-Y1217 PolarHBondContact OE1-OH 3.16Å; E1208-A1219 HydrophobicContact CB-CB 4.35Å
1209	R	83.5	Confident	87.3	Confident	136 Å²	136	53 Å²	53	51%	0.513	31%	0.307	S	S	.	.	H	α-helix	trans	-63.3	-50.6	173.6	-176	-175.2	177.7	-170.2	-1	111.7	E806 T1205 E1206 V1207 L1211 A1212	E806-R1209 IonicContact OE1-NH2 3.64Å; T1205-R1209 PolarHBondContact O-N 2.96Å; T1205-R1209 VanDerWaalsContact O-N 3.09Å; E1206-R1209 WeakPolarHBondContact O-CB 3.3Å; E1206-R1209 PolarHBondContact O-N 2.8Å; V1207-R1209 PolarHBondContact O-N 2.94Å; R1209-L1211 VanDerWaalsContact C-N 3.33Å; R1209-L1211 PolarHBondContact O-N 2.64Å; R1209-A1212 WeakPolarHBondContact O-CB 3.08Å; R1209-A1212 PolarHBondContact O-N 3.36Å
1210	W	87	Confident	85.3	Confident	34 Å²	34	59.8 Å²	59.8	13%	0.129	35%	0.347	C	S	.	.	H	α-helix	trans	-68.9	-30.4	-177.9	-71.7	111.1	0	0	0	113.7	P802 H1138 T1139 F1162 E1206 V1207	P802-W1210 HydrophobicContact CB-CZ3 4.17Å; P802-W1210 HydrophobicContact CG-CE3 3.82Å; P802-W1210 HydrophobicContact CG-CH2 4.39Å; P802-W1210 HydrophobicContact CG-CZ3 3.38Å; H1138-W1210 HydrophobicContact CB-CE3 4.34Å; H1138-W1210 HydrophobicContact CB-CZ3 4.27Å; T1139-W1210 HydrophobicContact CG2-CD2 4.08Å; T1139-W1210 HydrophobicContact CG2-CG 4.17Å; F1162-W1210 AromaticContact CD2-CH2 3.37Å; F1162-W1210 HydrophobicContact CD2-CH2 3.37Å; F1162-W1210 AromaticContact CD2-CZ2 3.84Å; F1162-W1210 HydrophobicContact CD2-CZ2 3.84Å; F1162-W1210 AromaticContact CD2-CZ3 3.8Å; F1162-W1210 HydrophobicContact CD2-CZ3 3.8Å; F1162-W1210 AromaticContact CE2-CH2 3.69Å; F1162-W1210 HydrophobicContact CE2-CH2 3.69Å; F1162-W1210 AromaticContact CE2-CZ2 3.63Å; F1162-W1210 HydrophobicContact CE2-CZ2 3.63Å; F1162-W1210 HydrophobicContact CE2-CZ3 4.41Å; E1206-W1210 PolarHBondContact O-N 2.71Å; E1206-W1210 VanDerWaalsContact O-N 3.13Å; V1207-W1210 PolarHBondContact O-N 3.34Å
1211	L	89.2	Confident	84.9	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	18.9	-179.6	-65.5	176.1	0	0	0	113	L1022 P1136 E1137 I1188 V1207 E1208 R1209 P1213 N1214 L1215	L1022-L1211 HydrophobicContact CD1-CD1 3.89Å; L1022-L1211 HydrophobicContact CD1-CD2 3.8Å; L1022-L1211 HydrophobicContact CD2-CD1 4.23Å; P1136-L1211 HydrophobicContact CG-CD2 4.32Å; E1137-L1211 HydrophobicContact CB-CD2 3.86Å; E1137-L1211 HydrophobicContact CG-CD2 3.86Å; E1137-L1211 HydrophobicContact CG-CG 4.2Å; I1188-L1211 HydrophobicContact CD1-CB 4.36Å; I1188-L1211 HydrophobicContact CD1-CD1 3.69Å; V1207-L1211 HydrophobicContact CG1-CD1 3.71Å; V1207-L1211 HydrophobicContact CG1-CG 4.42Å; V1207-L1211 WeakPolarHBondContact O-CB 3.28Å; V1207-L1211 PolarHBondContact O-N 3.07Å; E1208-L1211 CarbonylContact O-C 3.46Å; R1209-L1211 VanDerWaalsContact C-N 3.33Å; R1209-L1211 PolarHBondContact O-N 2.64Å; L1211-P1213 VanDerWaalsContact C-CD 3.42Å; L1211-P1213 VanDerWaalsContact C-N 3.32Å; L1211-P1213 VanDerWaalsContact O-N 3.15Å; L1211-N1214 HydrophobicContact CB-CB 4.49Å; L1211-N1214 WeakPolarHBondContact O-CA 3.4Å; L1211-N1214 WeakPolarHBondContact O-CB 3.39Å; L1211-N1214 PolarHBondContact O-N 3.37Å; L1211-L1215 PolarHBondContact O-N 3.23Å
1212	A	80.1	Confident	84.4	Confident	41 Å²	41	59.9 Å²	59.9	34%	0.339	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-50.3	-40.8	-175	0	0	0	0	0	114.4	E1208 R1209 N1214	E1208-A1212 VanDerWaalsContact O-CA 3.26Å; E1208-A1212 WeakPolarHBondContact O-CA 3.42Å; E1208-A1212 WeakPolarHBondContact O-CB 3.37Å; E1208-A1212 PolarHBondContact O-N 2.88Å; R1209-A1212 WeakPolarHBondContact O-CB 3.08Å; R1209-A1212 PolarHBondContact O-N 3.36Å; A1212-N1214 PolarHBondContact O-N 3.47Å
1213	P	76.5	Confident	83.8	Confident	68 Å²	68	60.9 Å²	60.9	44%	0.442	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-71	-17.2	176.5	-17.8	32.2	0	0	0	114.7	T801 L1211	T801-P1213 VanDerWaalsContact CG2-CD 3.49Å; T801-P1213 HydrophobicContact CG2-CG 3.25Å; L1211-P1213 VanDerWaalsContact C-CD 3.42Å; L1211-P1213 VanDerWaalsContact C-N 3.32Å; L1211-P1213 VanDerWaalsContact O-N 3.15Å
1214	N	87.4	Confident	83.1	Confident	24 Å²	24	61.4 Å²	61.4	13%	0.128	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-98.5	-5.6	-176.9	-66.3	88.3	0	0	0	112.7	A1186 Q1187 I1188 L1211 A1212 G1216	A1186-N1214 PolarHBondContact O-ND2 3.41Å; Q1187-N1214 CarbonylContact C-O 3.49Å; Q1187-N1214 VanDerWaalsContact CA-O 3.23Å; Q1187-N1214 WeakPolarHBondContact CA-O 3.34Å; I1188-N1214 HydrophobicContact CG1-CB 4.41Å; I1188-N1214 WeakPolarHBondContact CG1-O 3.21Å; I1188-N1214 PolarHBondContact N-O 3.12Å; L1211-N1214 HydrophobicContact CB-CB 4.49Å; L1211-N1214 WeakPolarHBondContact O-CA 3.4Å; L1211-N1214 WeakPolarHBondContact O-CB 3.39Å; L1211-N1214 PolarHBondContact O-N 3.37Å; A1212-N1214 PolarHBondContact O-N 3.47Å; N1214-G1216 PolarHBondContact O-N 3.36Å
1215	L	86.9	Confident	82.5	Confident	22 Å²	22	62.2 Å²	62.2	12%	0.115	34%	0.342	C	S	.	.	B	Isolated β-bridge	trans	-68.5	125.1	179.2	-56.2	-177.7	0	0	0	110.9	I1188 V1193 E1208 L1211 Y1217 A1219	I1188-L1215 HydrophobicContact CG1-CD2 4.45Å; V1193-L1215 HydrophobicContact CG2-CD2 3.78Å; E1208-L1215 HydrophobicContact CB-CD1 4.08Å; E1208-L1215 HydrophobicContact CG-CD1 4.21Å; E1208-L1215 HydrophobicContact CG-CD2 4.45Å; L1211-L1215 PolarHBondContact O-N 3.23Å; L1215-Y1217 HydrophobicContact CB-CE1 4.49Å; L1215-Y1217 WeakPolarHBondContact CB-O 3.38Å; L1215-Y1217 HydrophobicContact CD2-CE1 4.09Å; L1215-Y1217 PolarHBondContact O-N 3.1Å; L1215-A1219 HydrophobicContact CD1-CB 3.98Å
1216	G	84	Confident	82	Confident	29 Å²	29	59.4 Å²	59.4	30%	0.299	32%	0.323	S	S	.	.	S	Bend	trans	-81.2	5.9	171.3	0	0	0	0	0	113.8	I1188 N1214	I1188-G1216 WeakPolarHBondContact O-CA 3.38Å; I1188-G1216 PolarHBondContact O-N 3.4Å; N1214-G1216 PolarHBondContact O-N 3.36Å
1217	Y	82.3	Confident	81.4	Confident	46 Å²	46	56.6 Å²	56.6	18%	0.18	31%	0.313	C	S	.	.	S	Bend	trans	-144.9	160.1	-176.8	64.1	-83.2	0	0	0	109.3	R1190 V1193 E1208 L1215	R1190-Y1217 VanDerWaalsContact CA-CE1 3.41Å; R1190-Y1217 HydrophobicContact CB-CD1 4.21Å; R1190-Y1217 HydrophobicContact CB-CE1 3.76Å; R1190-Y1217 HydrophobicContact CB-CE2 4.2Å; R1190-Y1217 HydrophobicContact CG-CE1 4.47Å; R1190-Y1217 HydrophobicContact CG-CE2 4.21Å; R1190-Y1217 VanDerWaalsContact N-CE1 3.26Å; V1193-Y1217 HydrophobicContact CG2-CE1 4.2Å; V1193-Y1217 WeakPolarHBondContact CG2-OH 3.49Å; E1208-Y1217 WeakPolarHBondContact OE1-CE2 3.48Å; E1208-Y1217 PolarHBondContact OE1-OH 3.16Å; L1215-Y1217 HydrophobicContact CB-CE1 4.49Å; L1215-Y1217 WeakPolarHBondContact CB-O 3.38Å; L1215-Y1217 HydrophobicContact CD2-CE1 4.09Å; L1215-Y1217 PolarHBondContact O-N 3.1Å
1218	D	73.7	Confident	80.6	Confident	132 Å²	132	60.8 Å²	60.8	71%	0.706	34%	0.336	S	S	*	.			trans	-77.5	124.9	172.1	-73.5	-46	0	0	0	109.4
1219	A	72.8	Confident	79.8	Confident	50 Å²	50	64.3 Å²	64.3	41%	0.413	36%	0.356	S	S	.	.			trans	-64.2	136.4	169.6	0	0	0	0	0	109.7	E1208 L1215	E1208-A1219 HydrophobicContact CB-CB 4.35Å; L1215-A1219 HydrophobicContact CD1-CB 3.98Å
1220	D	54.3	Low	79.5	Confident	189 Å²	189	57.7 Å²	57.7	100%	1.011	34%	0.342	S	S	*	.			trans	-67.4	0	-176.2	-70.2	-49.7	0	0	0	113.3	R1190	R1190-D1220 IonicContact CZ-OD2 3.2Å; R1190-D1220 IonicContact NH1-OD2 3.34Å; R1190-D1220 PolarHBondContact NH1-OD2 3.27Å; R1190-D1220 IonicContact NH2-OD2 2.71Å; R1190-D1220 PolarHBondContact NH2-OD2 2.92Å

Retrieved 1,220 of 1,220 residues in 328 ms (Link to these results)

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