A0A5K4FAG2_SCHMA Loading...

Calcium-transporting ATPase

Catalyzes the hydrolysis of ATP coupled with the transport of calcium.

AlphaFold DB , UniProt , Accession A0A5K4FAG2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,233 aa.

						>A0A5K4FAG2_SCHMA|A0A5K4FAG2
MRELQGLMQLRGAEAVEVVNKRFDGASGLCQRLKTSPTQGLSSHDLVRRREVFGTNIIPPTPPKSFFQLMWEALQDVTLIVLMVAAAVSLLLALYSKYFGGEHSSGDETEGEVSWIEGVAILCAVVVVVLVTATNDWQKERQFRGLQDKIESDHKMSVLRDGDITEVLVGDIVVGDICLVKYGDLLPADGVVLQSNDLKVDESSLTGEPDQVKKGENIDPMLLSGTHVMEGSGKMVVTAVGVNSQAGIIFTLLGATEGDGSSAAPPPPINLANANEMTEISRNTNPSQQNYDTDGKQQHEINKNPNDQTNGNKHSTKGGGHVAFSGTSDVVGPDKNKLAATGGRIENHQQDNLNQRNSLGSGDAEATEDGSDAPKGRKRRKKKYSVLQAKLTRLASLIGQLGTVVASLTVIILVVKFSVNTFYFNKEQWDTGRHLHQFVQFIIIGVTVLVVAVPEGLPLAVTISLAYSVKKMMKDNNLVRHLDACETMGNATAICSDKTGTLTTNRMTVVQCYFGEKLTQNTDQLPKLKDLNHRIGHRFVHGVSINSSYTSRVTIPDKPSELPQQLGNKTECALLGFVRHLGVNYEDIRERWPQESLVKVFTFNSLRKSMSTVIKNLEPDRPGYTVFTKGASEMVLKKCSFILDANGDPKPFTKADQDNLVRDVIEQMASDGLRTIGIAYKSYIDPAVGLFPNEVPLNRGQTPDFDDEDIIVSDLTCIGIVGIEDPVRPEVPAAIRKCQRAGITVRMVTGDNVNTARSIAAKCGILKPGDNYIVLEGKEFNARVRDPRTNRVRQDLMDQVWPQLRVLARSSPQDKYTLVSGIIDSHISTRREVVAVTGDGTNDGPALKKADVGFAMGIAGTDVAKEASDIILTDDNFTSIVKAVMWGRNVYDSISKFLQFQLTVNMVAIIVAFVGACLITDSPLKAVQMLWVNLIMDTLASLALATEIPTEELLERAPYGRTKPIISRNMIKNIIGQSVYQLGVIFFLIWFGELLLDVENGRGLSAKGINRPTEHFTVIFNSFVMMTLFNEINARKIHGQRNIFSGLTNNLLFVIIWISTFVLQVIIIQFGGYAFSTRPLALEHWLWCLFFGIGTLLWGQVIISIPVWIIPKRRRRITKSRRLTLIATQDVLGVETDGLVTQDSVHPQLADGGVVHRASTGFVSKAANAVARGFGAIYTQPEGEEEEEDEEEEEEKMMKIERILSVQIYVILVKYYGFEVYQDYKHSLHVNLI
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	69.9	Low	79.5	Confident	70 Å²	70	64.7 Å²	64.7	35%	0.345	30%	0.295	S	S	.	.				0	-61.3	0	-164.6	49	-177.9	0	0	113.2	E3 L4 Q5 F53 A239 N243	M1-E3 PolarHBondContact O-N 2.6Å; M1-L4 WeakPolarHBondContact O-CA 3.2Å; M1-L4 WeakPolarHBondContact O-CB 3.49Å; M1-L4 PolarHBondContact O-N 2.88Å; M1-L4 HydrophobicContact SD-CB 4.37Å; M1-L4 HydrophobicContact SD-CD1 4.19Å; M1-Q5 HydrophobicContact CE-CG 3.83Å; M1-Q5 HydrophobicContact CG-CG 4.29Å; M1-Q5 PolarHBondContact O-N 3.11Å; M1-Q5 HydrophobicContact SD-CG 4.46Å; M1-F53 HydrophobicContact SD-CD1 3.89Å; M1-F53 HydrophobicContact SD-CE1 4.47Å; M1-A239 HydrophobicContact CE-CB 3.85Å; M1-N243 HydrophobicContact CE-CB 3.47Å; M1-N243 VanDerWaalsContact CE-CB 3.47Å
2	R	77.2	Confident	79.8	Confident	213 Å²	213	60.8 Å²	60.8	80%	0.804	29%	0.286	S	S	*	.	H	α-helix	trans	-46.1	-39.1	-177.5	-69.3	-176.7	-179	167.6	0.3	115.2	L4 Q5 G6	R2-L4 PolarHBondContact O-N 2.54Å; R2-Q5 PolarHBondContact O-N 3.18Å; R2-G6 PolarHBondContact O-N 3.12Å
3	E	82.8	Confident	80	Confident	140 Å²	140	62.2 Å²	62.2	65%	0.654	31%	0.313	S	S	*	.	H	α-helix	trans	-61.5	-38.1	175.9	-62.5	176.1	162	0	0	113.8	M1 L7	M1-E3 PolarHBondContact O-N 2.6Å; E3-L7 PolarHBondContact O-N 3.13Å
4	L	82.1	Confident	80.4	Confident	12 Å²	12	66.3 Å²	66.3	6%	0.063	33%	0.331	C	S	.	.	H	α-helix	trans	-71.6	-38.9	176.4	-59.4	174.4	0	0	0	110.7	M1 R2 L7 M8 L29 L33 F53 V174 T238	M1-L4 WeakPolarHBondContact O-CA 3.2Å; M1-L4 WeakPolarHBondContact O-CB 3.49Å; M1-L4 PolarHBondContact O-N 2.88Å; M1-L4 HydrophobicContact SD-CB 4.37Å; M1-L4 HydrophobicContact SD-CD1 4.19Å; R2-L4 PolarHBondContact O-N 2.54Å; L4-L7 WeakPolarHBondContact O-CB 3.47Å; L4-L7 PolarHBondContact O-N 2.83Å; L4-M8 WeakPolarHBondContact O-CG 3.44Å; L4-M8 PolarHBondContact O-N 2.99Å; L4-M8 VanDerWaalsContact O-N 3.15Å; L4-L29 HydrophobicContact CD2-CD1 4.03Å; L4-L33 HydrophobicContact CD1-CD2 4.25Å; L4-F53 HydrophobicContact CD1-CE1 4.32Å; L4-V174 HydrophobicContact CD1-CG1 4.05Å; L4-T238 WeakPolarHBondContact CD1-O 3.27Å; L4-T238 HydrophobicContact CD2-CG2 4.42Å
5	Q	78.4	Confident	80.7	Confident	44 Å²	44	61.9 Å²	61.9	21%	0.206	31%	0.309	C	S	.	.	H	α-helix	trans	-64.7	-40.2	175.1	-63.8	176.7	-70	0	0	111.8	M1 R2 L7 M8 N243	M1-Q5 HydrophobicContact CE-CG 3.83Å; M1-Q5 HydrophobicContact CG-CG 4.29Å; M1-Q5 PolarHBondContact O-N 3.11Å; M1-Q5 HydrophobicContact SD-CG 4.46Å; R2-Q5 PolarHBondContact O-N 3.18Å; Q5-L7 VanDerWaalsContact C-N 3.34Å; Q5-M8 PolarHBondContact O-N 2.89Å; Q5-N243 PolarHBondContact NE2-OD1 2.77Å; Q5-N243 VanDerWaalsContact NE2-OD1 3.09Å
6	G	78.6	Confident	81	Confident	25 Å²	25	59.3 Å²	59.3	26%	0.258	30%	0.297	S	S	.	.	H	α-helix	trans	-65.8	-34.1	172.5	0	0	0	0	0	113	R2 M8 Q9	R2-G6 PolarHBondContact O-N 3.12Å; G6-M8 VanDerWaalsContact C-N 3.33Å; G6-M8 PolarHBondContact O-N 3.04Å; G6-Q9 PolarHBondContact O-N 2.91Å
7	L	82.8	Confident	81.3	Confident	2 Å²	2	61.7 Å²	61.7	1%	0.01	31%	0.308	C	S	.	.	H	α-helix	trans	-61.4	-41.7	174.1	-165.9	65.5	0	0	0	111.4	E3 L4 Q5 Q9 L10 V18 V19 F23 L29 V191 M221	E3-L7 PolarHBondContact O-N 3.13Å; L4-L7 WeakPolarHBondContact O-CB 3.47Å; L4-L7 PolarHBondContact O-N 2.83Å; Q5-L7 VanDerWaalsContact C-N 3.34Å; L7-Q9 PolarHBondContact O-N 3.21Å; L7-L10 HydrophobicContact CD1-CD1 4.34Å; L7-L10 PolarHBondContact O-N 3.32Å; L7-L10 VanDerWaalsContact O-N 3.14Å; L7-V18 HydrophobicContact CD1-CG1 3.9Å; L7-V19 HydrophobicContact CD1-CG2 3.93Å; L7-V19 HydrophobicContact CD2-CG2 4.28Å; L7-V19 HydrophobicContact CG-CG2 4.5Å; L7-F23 HydrophobicContact CD1-CE2 4.18Å; L7-F23 HydrophobicContact CD2-CE2 4.18Å; L7-L29 HydrophobicContact CD2-CD2 4.35Å; L7-V191 HydrophobicContact CD2-CG2 4.07Å; L7-M221 HydrophobicContact CG-CE 4.38Å; L7-M221 HydrophobicContact CG-SD 4.28Å
8	M	80.5	Confident	81.6	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-2	-179.6	-61.5	-54.5	106.7	0	0	114.6	L4 Q5 G6 R11 D189 V191 M221 T238 Q245	L4-M8 WeakPolarHBondContact O-CG 3.44Å; L4-M8 PolarHBondContact O-N 2.99Å; L4-M8 VanDerWaalsContact O-N 3.15Å; Q5-M8 PolarHBondContact O-N 2.89Å; G6-M8 VanDerWaalsContact C-N 3.33Å; G6-M8 PolarHBondContact O-N 3.04Å; M8-R11 PolarHBondContact O-NH1 3.24Å; M8-D189 HydrophobicContact CB-CB 4.4Å; M8-D189 HydrophobicContact CG-CB 3.63Å; M8-D189 HydrophobicContact SD-CB 3.63Å; M8-V191 HydrophobicContact CE-CG2 3.9Å; M8-M221 HydrophobicContact CE-CE 4.21Å; M8-M221 HydrophobicContact CE-SD 3.4Å; M8-M221 WeakPolarHBondContact CE-SD 3.47Å; M8-M221 HydrophobicContact SD-SD 4.05Å; M8-T238 HydrophobicContact CE-CG2 4.21Å; M8-T238 VanDerWaalsContact CE-OG1 3.29Å; M8-T238 WeakPolarHBondContact CE-OG1 3.38Å; M8-T238 PolarHBondContact SD-OG1 2.87Å; M8-Q245 HydrophobicContact CB-CG 4.26Å
9	Q	79	Confident	81.8	Confident	101 Å²	101	56.7 Å²	56.7	47%	0.472	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-19.5	169.6	-67.6	177.4	-20.9	0	0	112.7	G6 L7	G6-Q9 PolarHBondContact O-N 2.91Å; L7-Q9 PolarHBondContact O-N 3.21Å
10	L	83.6	Confident	81.9	Confident	25 Å²	25	57.9 Å²	57.9	13%	0.131	29%	0.292	C	S	.	.			trans	-82.9	158	-178.5	-49.5	-179	0	0	0	111.2	L7 E14 A15 V18	L7-L10 HydrophobicContact CD1-CD1 4.34Å; L7-L10 PolarHBondContact O-N 3.32Å; L7-L10 VanDerWaalsContact O-N 3.14Å; L10-E14 HydrophobicContact CD2-CG 4.24Å; L10-A15 HydrophobicContact CB-CB 3.85Å; L10-V18 HydrophobicContact CD1-CB 3.56Å; L10-V18 HydrophobicContact CD1-CG1 3.74Å; L10-V18 HydrophobicContact CD1-CG2 3.59Å
11	R	80.2	Confident	82.1	Confident	80 Å²	80	62.4 Å²	62.4	30%	0.302	31%	0.309	S	S	.	.			trans	-138.2	156	175.9	-64.8	-66.2	179.6	-82.1	-5.4	111.4	M8 A13 E14 A15 E202	M8-R11 PolarHBondContact O-NH1 3.24Å; R11-A13 PolarHBondContact O-N 3.1Å; R11-E14 PolarHBondContact O-N 2.97Å; R11-A15 PolarHBondContact O-N 3.38Å; R11-E202 IonicContact NE-OE2 3.09Å
12	G	82.7	Confident	82.8	Confident	18 Å²	18	66 Å²	66	19%	0.186	32%	0.319	C	S	.	.	H	α-helix	trans	55.9	-136.5	168.7	0	0	0	0	0	113.9	E14 A15 V16 I218 D219	G12-E14 VanDerWaalsContact C-N 3.29Å; G12-E14 PolarHBondContact O-N 3.48Å; G12-A15 WeakPolarHBondContact O-CB 3.43Å; G12-A15 PolarHBondContact O-N 2.88Å; G12-A15 VanDerWaalsContact O-N 3.08Å; G12-V16 PolarHBondContact O-N 3.49Å; G12-I218 CarbonylContact C-O 3.52Å; G12-I218 VanDerWaalsContact CA-O 3.23Å; G12-I218 WeakPolarHBondContact CA-O 3.27Å; G12-D219 VanDerWaalsContact N-CG 3.28Å; G12-D219 PolarHBondContact N-OD1 3.35Å; G12-D219 VanDerWaalsContact N-OD1 3.13Å
13	A	81.7	Confident	83.2	Confident	78 Å²	78	56.5 Å²	56.5	65%	0.645	28%	0.283	S	S	*	.	H	α-helix	trans	-59.7	-32.8	-177.5	0	0	0	0	0	114.1	R11 V16 E17 I218	R11-A13 PolarHBondContact O-N 3.1Å; A13-V16 PolarHBondContact O-N 3.44Å; A13-E17 WeakPolarHBondContact O-CB 3.42Å; A13-E17 PolarHBondContact O-N 3.34Å; A13-I218 PolarHBondContact N-O 2.84Å
14	E	86	Confident	83.2	Confident	120 Å²	120	55.6 Å²	55.6	56%	0.561	28%	0.283	S	S	*	.	H	α-helix	trans	-66	-40.9	175.8	-173.3	-177.5	-164.1	0	0	110.9	L10 R11 G12 E17 V18	L10-E14 HydrophobicContact CD2-CG 4.24Å; R11-E14 PolarHBondContact O-N 2.97Å; G12-E14 VanDerWaalsContact C-N 3.29Å; G12-E14 PolarHBondContact O-N 3.48Å; E14-E17 PolarHBondContact O-N 3.25Å; E14-V18 WeakPolarHBondContact O-CG2 3.48Å; E14-V18 PolarHBondContact O-N 3.48Å
15	A	85.1	Confident	83.3	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-65.5	-41.9	174	0	0	0	0	0	111.7	L10 R11 G12 E17 V18 V19 M221	L10-A15 HydrophobicContact CB-CB 3.85Å; R11-A15 PolarHBondContact O-N 3.38Å; G12-A15 WeakPolarHBondContact O-CB 3.43Å; G12-A15 PolarHBondContact O-N 2.88Å; G12-A15 VanDerWaalsContact O-N 3.08Å; A15-E17 PolarHBondContact O-N 3.28Å; A15-V18 PolarHBondContact O-N 3.48Å; A15-V19 WeakPolarHBondContact O-CB 3.06Å; A15-V19 VanDerWaalsContact O-CG2 3.23Å; A15-V19 WeakPolarHBondContact O-CG2 3.36Å; A15-V19 PolarHBondContact O-N 3Å; A15-M221 HydrophobicContact CB-CE 4.09Å; A15-M221 HydrophobicContact CB-CG 3.56Å; A15-M221 HydrophobicContact CB-SD 4.15Å
16	V	85.5	Confident	83.5	Confident	20 Å²	20	54.3 Å²	54.3	12%	0.121	28%	0.283	C	S	.	.	H	α-helix	trans	-57.6	-48	173	177.6	0	0	0	0	110.9	G12 A13 V19 N20 P220	G12-V16 PolarHBondContact O-N 3.49Å; A13-V16 PolarHBondContact O-N 3.44Å; V16-V19 PolarHBondContact O-N 3.31Å; V16-N20 WeakPolarHBondContact CG1-ND2 3.49Å; V16-N20 WeakPolarHBondContact O-CB 3.45Å; V16-N20 VanDerWaalsContact O-CG 3.32Å; V16-N20 PolarHBondContact O-N 3Å; V16-N20 PolarHBondContact O-ND2 2.88Å; V16-P220 VanDerWaalsContact CG2-CD 3.48Å; V16-P220 HydrophobicContact CG2-CG 3.97Å
17	E	86.3	Confident	83.7	Confident	101 Å²	101	57.2 Å²	57.2	47%	0.472	30%	0.299	S	S	.	.	H	α-helix	trans	-63.3	-43.9	-178.7	-175.2	173.5	170.6	0	0	111.9	A13 E14 A15 N20 K21	A13-E17 WeakPolarHBondContact O-CB 3.42Å; A13-E17 PolarHBondContact O-N 3.34Å; E14-E17 PolarHBondContact O-N 3.25Å; A15-E17 PolarHBondContact O-N 3.28Å; E17-N20 PolarHBondContact O-N 3.35Å; E17-K21 HydrophobicContact CG-CD 3.87Å; E17-K21 HydrophobicContact CG-CG 4.32Å; E17-K21 VanDerWaalsContact O-CB 3.27Å; E17-K21 WeakPolarHBondContact O-CB 3.43Å; E17-K21 WeakPolarHBondContact O-CG 3.34Å; E17-K21 PolarHBondContact O-N 3.33Å; E17-K21 WeakPolarHBondContact OE1-CE 3.18Å; E17-K21 IonicContact OE1-NZ 2.6Å; E17-K21 PolarHBondContact OE1-NZ 3.42Å
18	V	86.1	Confident	83.8	Confident	25 Å²	25	57.4 Å²	57.4	15%	0.152	30%	0.302	C	S	.	.	H	α-helix	trans	-72.5	-38.1	179.4	174.6	0	0	0	0	112.3	L7 L10 E14 A15 N20 R22	L7-V18 HydrophobicContact CD1-CG1 3.9Å; L10-V18 HydrophobicContact CD1-CB 3.56Å; L10-V18 HydrophobicContact CD1-CG1 3.74Å; L10-V18 HydrophobicContact CD1-CG2 3.59Å; E14-V18 WeakPolarHBondContact O-CG2 3.48Å; E14-V18 PolarHBondContact O-N 3.48Å; A15-V18 PolarHBondContact O-N 3.48Å; V18-N20 VanDerWaalsContact C-N 3.35Å; V18-R22 HydrophobicContact CG1-CG 4.1Å; V18-R22 VanDerWaalsContact O-CB 3.31Å; V18-R22 WeakPolarHBondContact O-CB 3.3Å; V18-R22 PolarHBondContact O-N 2.64Å
19	V	85	Confident	84.1	Confident	4 Å²	4	57.5 Å²	57.5	2%	0.024	30%	0.302	C	S	.	.	H	α-helix	trans	-58.8	-47.6	172	167.6	0	0	0	0	110.3	L7 A15 V16 F23 G25 V191 M221	L7-V19 HydrophobicContact CD1-CG2 3.93Å; L7-V19 HydrophobicContact CD2-CG2 4.28Å; L7-V19 HydrophobicContact CG-CG2 4.5Å; A15-V19 WeakPolarHBondContact O-CB 3.06Å; A15-V19 VanDerWaalsContact O-CG2 3.23Å; A15-V19 WeakPolarHBondContact O-CG2 3.36Å; A15-V19 PolarHBondContact O-N 3Å; V16-V19 PolarHBondContact O-N 3.31Å; V19-F23 WeakPolarHBondContact O-CB 3.1Å; V19-F23 PolarHBondContact O-N 3.25Å; V19-F23 VanDerWaalsContact O-N 3.11Å; V19-G25 PolarHBondContact O-N 3.46Å; V19-V191 HydrophobicContact CG2-CG1 4.39Å; V19-M221 HydrophobicContact CG2-CE 3.83Å
20	N	85.4	Confident	84.5	Confident	80 Å²	80	52.7 Å²	52.7	43%	0.428	28%	0.28	S	S	.	.	H	α-helix	trans	-69.3	-47	-179.5	-71.4	-26.9	0	0	0	112.5	V16 E17 V18 D24 G25	V16-N20 WeakPolarHBondContact CG1-ND2 3.49Å; V16-N20 WeakPolarHBondContact O-CB 3.45Å; V16-N20 VanDerWaalsContact O-CG 3.32Å; V16-N20 PolarHBondContact O-N 3Å; V16-N20 PolarHBondContact O-ND2 2.88Å; E17-N20 PolarHBondContact O-N 3.35Å; V18-N20 VanDerWaalsContact C-N 3.35Å; N20-D24 PolarHBondContact O-N 3.22Å; N20-G25 WeakPolarHBondContact OD1-CA 3.46Å
21	K	86.1	Confident	84.7	Confident	153 Å²	153	59 Å²	59	67%	0.665	31%	0.309	S	S	*	.	H	α-helix	trans	-73.7	-33.7	-177.3	-74	-174.6	175	178.1	0	114.7	E17	E17-K21 HydrophobicContact CG-CD 3.87Å; E17-K21 HydrophobicContact CG-CG 4.32Å; E17-K21 VanDerWaalsContact O-CB 3.27Å; E17-K21 WeakPolarHBondContact O-CB 3.43Å; E17-K21 WeakPolarHBondContact O-CG 3.34Å; E17-K21 PolarHBondContact O-N 3.33Å; E17-K21 WeakPolarHBondContact OE1-CE 3.18Å; E17-K21 IonicContact OE1-NZ 2.6Å; E17-K21 PolarHBondContact OE1-NZ 3.42Å
22	R	84.8	Confident	85	Confident	146 Å²	146	61.7 Å²	61.7	55%	0.551	32%	0.319	S	S	*	.	H	α-helix	trans	-97.3	-27.7	-176.1	-65.8	-166.8	-177.7	164.8	1.6	114.1	V18 R32	V18-R22 HydrophobicContact CG1-CG 4.1Å; V18-R22 VanDerWaalsContact O-CB 3.31Å; V18-R22 WeakPolarHBondContact O-CB 3.3Å; V18-R22 PolarHBondContact O-N 2.64Å; R22-R32 PolarHBondContact O-NH1 2.85Å; R22-R32 PolarHBondContact O-NH2 2.92Å
23	F	84.6	Confident	85.2	Confident	12 Å²	12	61.7 Å²	61.7	5%	0.053	31%	0.314	C	S	.	.	H	α-helix	trans	-123.7	6.3	-170.8	-59.3	-82.1	0	0	0	114.4	L7 V19 G25 G28 L29	L7-F23 HydrophobicContact CD1-CE2 4.18Å; L7-F23 HydrophobicContact CD2-CE2 4.18Å; V19-F23 WeakPolarHBondContact O-CB 3.1Å; V19-F23 PolarHBondContact O-N 3.25Å; V19-F23 VanDerWaalsContact O-N 3.11Å; F23-G25 PolarHBondContact O-N 2.66Å; F23-G28 CarbonylContact O-C 3.11Å; F23-G28 WeakPolarHBondContact O-CA 3.26Å; F23-L29 HydrophobicContact CB-CB 4.03Å; F23-L29 HydrophobicContact CD1-CD1 3.77Å; F23-L29 HydrophobicContact CE1-CD1 4.04Å; F23-L29 HydrophobicContact CG-CB 4.43Å; F23-L29 HydrophobicContact CG-CD1 4.15Å; F23-L29 PolarHBondContact O-N 3.27Å
24	D	83.4	Confident	85.5	Confident	121 Å²	121	66.4 Å²	66.4	65%	0.647	32%	0.32	S	S	*	.	S	Bend	trans	59.7	37.5	-177.9	-47.4	-69.1	0	0	0	111.7	N20 R32	N20-D24 PolarHBondContact O-N 3.22Å; D24-R32 IonicContact OD2-NH2 3Å; D24-R32 PolarHBondContact OD2-NH2 3.24Å
25	G	83.4	Confident	85.6	Confident	8 Å²	8	61.1 Å²	61.1	8%	0.082	30%	0.296	C	S	.	.	H	α-helix	trans	82.2	-180	-177.1	0	0	0	0	0	113.8	V19 N20 F23 S27 G28 L29	V19-G25 PolarHBondContact O-N 3.46Å; N20-G25 WeakPolarHBondContact OD1-CA 3.46Å; F23-G25 PolarHBondContact O-N 2.66Å; G25-S27 PolarHBondContact O-N 2.86Å; G25-G28 PolarHBondContact O-N 3.29Å; G25-L29 PolarHBondContact O-N 3.48Å
26	A	82.1	Confident	85.8	Confident	22 Å²	22	62.8 Å²	62.8	18%	0.182	31%	0.308	C	S	.	.	H	α-helix	trans	-60.1	-33.1	179.9	0	0	0	0	0	112.9	L29 C30 V191 L193	A26-L29 PolarHBondContact O-N 3.3Å; A26-C30 PolarHBondContact O-N 2.65Å; A26-V191 HydrophobicContact CB-CG1 4.41Å; A26-L193 HydrophobicContact CB-CD2 3.92Å
27	S	83.1	Confident	85.7	Confident	85 Å²	85	64.1 Å²	64.1	59%	0.594	32%	0.317	S	S	*	.	H	α-helix	trans	-65.7	-41.3	174.9	-59.7	0	0	0	0	113.2	G25 C30 Q31	G25-S27 PolarHBondContact O-N 2.86Å; S27-C30 WeakPolarHBondContact O-CB 3.36Å; S27-C30 PolarHBondContact O-N 2.91Å; S27-Q31 PolarHBondContact O-N 2.98Å
28	G	85	Confident	85.7	Confident	7 Å²	7	64.6 Å²	64.6	7%	0.072	33%	0.327	C	S	.	.	H	α-helix	trans	-73.7	-30.1	176.5	0	0	0	0	0	112.7	F23 G25 Q31 R32	F23-G28 CarbonylContact O-C 3.11Å; F23-G28 WeakPolarHBondContact O-CA 3.26Å; G25-G28 PolarHBondContact O-N 3.29Å; G28-Q31 WeakPolarHBondContact O-CB 3.23Å; G28-Q31 PolarHBondContact O-N 2.77Å; G28-R32 WeakPolarHBondContact O-CG 3.38Å; G28-R32 PolarHBondContact O-N 2.67Å
29	L	87.5	Confident	85.6	Confident	1 Å²	1	69 Å²	69	1%	0.005	35%	0.346	C	S	.	.	H	α-helix	trans	-59.4	-47.7	166.5	178.6	61.8	0	0	0	111.2	L4 L7 F23 G25 A26 Q31 R32 L33 V191 V236 T238	L4-L29 HydrophobicContact CD2-CD1 4.03Å; L7-L29 HydrophobicContact CD2-CD2 4.35Å; F23-L29 HydrophobicContact CB-CB 4.03Å; F23-L29 HydrophobicContact CD1-CD1 3.77Å; F23-L29 HydrophobicContact CE1-CD1 4.04Å; F23-L29 HydrophobicContact CG-CB 4.43Å; F23-L29 HydrophobicContact CG-CD1 4.15Å; F23-L29 PolarHBondContact O-N 3.27Å; G25-L29 PolarHBondContact O-N 3.48Å; A26-L29 PolarHBondContact O-N 3.3Å; L29-Q31 VanDerWaalsContact C-N 3.32Å; L29-Q31 PolarHBondContact O-N 3.39Å; L29-R32 PolarHBondContact O-N 2.8Å; L29-L33 HydrophobicContact CD1-CD1 4.09Å; L29-L33 HydrophobicContact CD1-CG 4.28Å; L29-L33 HydrophobicContact CG-CD1 4.12Å; L29-L33 WeakPolarHBondContact O-CB 3.1Å; L29-L33 WeakPolarHBondContact O-CG 3.29Å; L29-L33 PolarHBondContact O-N 3.01Å; L29-V191 HydrophobicContact CD2-CB 4.02Å; L29-V191 HydrophobicContact CD2-CG1 4.45Å; L29-V191 HydrophobicContact CD2-CG2 3.6Å; L29-V236 HydrophobicContact CD2-CG1 4.12Å; L29-T238 HydrophobicContact CD2-CG2 4.18Å
30	C	87.3	Confident	85.8	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-57.6	-43	172.6	-79.5	0	0	0	0	112.4	A26 S27 R32 L33 K34 T35 P37 L193	A26-C30 PolarHBondContact O-N 2.65Å; S27-C30 WeakPolarHBondContact O-CB 3.36Å; S27-C30 PolarHBondContact O-N 2.91Å; C30-R32 PolarHBondContact O-N 2.72Å; C30-L33 CarbonylContact O-C 3.12Å; C30-L33 PolarHBondContact O-N 3.39Å; C30-K34 PolarHBondContact O-N 3.1Å; C30-T35 CarbonylContact C-O 3.46Å; C30-T35 HydrophobicContact CB-CG2 3.89Å; C30-T35 PolarHBondContact O-N 2.89Å; C30-P37 HydrophobicContact CB-CG 3.95Å; C30-L193 VanDerWaalsContact SG-CD2 3.6Å
31	Q	87.1	Confident	85.9	Confident	158 Å²	158	65.5 Å²	65.5	74%	0.738	33%	0.328	S	S	*	.	H	α-helix	trans	-61.7	-42.7	177.6	-166.4	178.3	12.2	0	0	112.3	S27 G28 L29 K34	S27-Q31 PolarHBondContact O-N 2.98Å; G28-Q31 WeakPolarHBondContact O-CB 3.23Å; G28-Q31 PolarHBondContact O-N 2.77Å; L29-Q31 VanDerWaalsContact C-N 3.32Å; L29-Q31 PolarHBondContact O-N 3.39Å; Q31-K34 PolarHBondContact O-N 2.98Å; Q31-K34 VanDerWaalsContact O-N 3.16Å
32	R	86.7	Confident	85.9	Confident	136 Å²	136	60.5 Å²	60.5	51%	0.513	31%	0.313	S	S	.	.	H	α-helix	trans	-69.2	-34.1	175.3	-66.8	-169.9	-163.3	167	12.7	112.8	R22 D24 G28 L29 C30 K34	R22-R32 PolarHBondContact O-NH1 2.85Å; R22-R32 PolarHBondContact O-NH2 2.92Å; D24-R32 IonicContact OD2-NH2 3Å; D24-R32 PolarHBondContact OD2-NH2 3.24Å; G28-R32 WeakPolarHBondContact O-CG 3.38Å; G28-R32 PolarHBondContact O-N 2.67Å; L29-R32 PolarHBondContact O-N 2.8Å; C30-R32 PolarHBondContact O-N 2.72Å; R32-K34 PolarHBondContact O-N 3.02Å
33	L	87.1	Confident	85.7	Confident	18 Å²	18	56.5 Å²	56.5	9%	0.094	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77	1.4	171.5	-68.4	177.7	0	0	0	113.8	L4 L29 C30 T35 R49 V174 V236	L4-L33 HydrophobicContact CD1-CD2 4.25Å; L29-L33 HydrophobicContact CD1-CD1 4.09Å; L29-L33 HydrophobicContact CD1-CG 4.28Å; L29-L33 HydrophobicContact CG-CD1 4.12Å; L29-L33 WeakPolarHBondContact O-CB 3.1Å; L29-L33 WeakPolarHBondContact O-CG 3.29Å; L29-L33 PolarHBondContact O-N 3.01Å; C30-L33 CarbonylContact O-C 3.12Å; C30-L33 PolarHBondContact O-N 3.39Å; L33-T35 HydrophobicContact CB-CG2 4.06Å; L33-T35 PolarHBondContact O-N 3.49Å; L33-R49 PolarHBondContact O-NH1 3.11Å; L33-R49 PolarHBondContact O-NH2 3.17Å; L33-V174 HydrophobicContact CD2-CG1 4.02Å; L33-V236 HydrophobicContact CD1-CG2 3.84Å
34	K	87.5	Confident	85.6	Confident	177 Å²	177	64.5 Å²	64.5	77%	0.77	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.2	45.1	-177.8	-58.7	-177.3	-179.9	-178.8	0	112.6	C30 Q31 R32	C30-K34 PolarHBondContact O-N 3.1Å; Q31-K34 PolarHBondContact O-N 2.98Å; Q31-K34 VanDerWaalsContact O-N 3.16Å; R32-K34 PolarHBondContact O-N 3.02Å
35	T	88.8	Confident	85.6	Confident	10 Å²	10	61 Å²	61	6%	0.061	33%	0.326	C	S	.	.			trans	-125.1	145.2	177.2	-171.1	0	0	0	0	109.2	C30 L33 G40 G175 V236	C30-T35 CarbonylContact C-O 3.46Å; C30-T35 HydrophobicContact CB-CG2 3.89Å; C30-T35 PolarHBondContact O-N 2.89Å; L33-T35 HydrophobicContact CB-CG2 4.06Å; L33-T35 PolarHBondContact O-N 3.49Å; T35-G40 VanDerWaalsContact OG1-C 3.27Å; T35-G40 PolarHBondContact OG1-O 3.28Å; T35-G175 WeakPolarHBondContact CB-O 3.39Å; T35-G175 WeakPolarHBondContact CG2-O 3.31Å; T35-G175 PolarHBondContact OG1-O 2.98Å; T35-V236 HydrophobicContact CG2-CG2 3.95Å
36	S	88.2	Confident	85.8	Confident	34 Å²	34	61.7 Å²	61.7	24%	0.238	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-95.1	124.7	-176.6	172.8	0	0	0	0	110.3	T38 Q39 G40 I177	S36-T38 PolarHBondContact O-N 3.02Å; S36-T38 PolarHBondContact OG-N 3.13Å; S36-T38 PolarHBondContact OG-OG1 3.14Å; S36-Q39 PolarHBondContact O-N 3.08Å; S36-Q39 PolarHBondContact OG-N 2.9Å; S36-Q39 VanDerWaalsContact OG-N 3.17Å; S36-G40 PolarHBondContact N-O 3.27Å; S36-G40 VanDerWaalsContact O-CA 3.25Å; S36-G40 WeakPolarHBondContact O-CA 3.09Å; S36-G40 PolarHBondContact O-N 3.36Å; S36-I177 WeakPolarHBondContact O-CD1 3.18Å
37	P	85.1	Confident	86	Confident	49 Å²	49	65.4 Å²	65.4	32%	0.318	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-18.2	175.5	-27.6	36	0	0	0	115.4	C30	C30-P37 HydrophobicContact CB-CG 3.95Å
38	T	85.5	Confident	86.3	Confident	110 Å²	110	69.3 Å²	69.3	68%	0.675	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.1	-18.5	-177.3	54.3	0	0	0	0	115	S36	S36-T38 PolarHBondContact O-N 3.02Å; S36-T38 PolarHBondContact OG-N 3.13Å; S36-T38 PolarHBondContact OG-OG1 3.14Å
39	Q	84.7	Confident	86.5	Confident	118 Å²	118	69.6 Å²	69.6	55%	0.551	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.5	-9.7	176.6	-66.9	173.7	-32.2	0	0	113.5	S36 R160 D161 G162	S36-Q39 PolarHBondContact O-N 3.08Å; S36-Q39 PolarHBondContact OG-N 2.9Å; S36-Q39 VanDerWaalsContact OG-N 3.17Å; Q39-R160 CarbonylContact O-C 3.44Å; Q39-D161 PolarHBondContact O-N 3.37Å; Q39-G162 PolarHBondContact O-N 3.14Å
40	G	87.7	Confident	86.6	Confident	6 Å²	6	73.1 Å²	73.1	6%	0.062	36%	0.361	C	S	.	.	B	Isolated β-bridge	trans	69.3	-143.7	-175.4	0	0	0	0	0	113.2	T35 S36 L159	T35-G40 VanDerWaalsContact OG1-C 3.27Å; T35-G40 PolarHBondContact OG1-O 3.28Å; S36-G40 PolarHBondContact N-O 3.27Å; S36-G40 VanDerWaalsContact O-CA 3.25Å; S36-G40 WeakPolarHBondContact O-CA 3.09Å; S36-G40 PolarHBondContact O-N 3.36Å; G40-L159 WeakPolarHBondContact CA-O 3.32Å
41	L	88.1	Confident	86.5	Confident	4 Å²	4	80.4 Å²	80.4	2%	0.021	40%	0.395	C	S	.	.	B	Isolated β-bridge	trans	-97.9	147.8	-179.6	179.9	58	0	0	0	111	D45 L46 R49 R160 D161 V173	L41-D45 HydrophobicContact CD1-CB 4.23Å; L41-L46 HydrophobicContact CD2-CD2 3.69Å; L41-L46 HydrophobicContact CG-CD2 4.37Å; L41-R49 VanDerWaalsContact CD1-NH2 3.34Å; L41-R160 CarbonylContact O-C 3.55Å; L41-R160 WeakPolarHBondContact O-CA 3.44Å; L41-R160 WeakPolarHBondContact O-CB 3.42Å; L41-D161 PolarHBondContact O-N 3.12Å; L41-V173 HydrophobicContact CD2-CG2 3.61Å
42	S	86	Confident	86.6	Confident	49 Å²	49	77.2 Å²	77.2	34%	0.343	39%	0.387	S	S	.	.			trans	-86	136.1	172.3	-173.3	0	0	0	0	112.4	H44 D45 D161	S42-H44 PolarHBondContact O-N 3.17Å; S42-D45 PolarHBondContact O-N 2.71Å; S42-D45 VanDerWaalsContact O-N 3.08Å; S42-D161 WeakPolarHBondContact CA-OD1 3.33Å; S42-D161 WeakPolarHBondContact CB-OD1 3.23Å; S42-D161 PolarHBondContact OG-OD1 2.99Å
43	S	80.4	Confident	86.6	Confident	62 Å²	62	72.7 Å²	72.7	43%	0.434	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-57.4	-22.4	-173.6	-62	0	0	0	0	114.4	L46 D161	S43-L46 WeakPolarHBondContact O-CD1 3.23Å; S43-L46 WeakPolarHBondContact O-CG 3.42Å; S43-D161 VanDerWaalsContact CB-OD2 3.23Å; S43-D161 WeakPolarHBondContact CB-OD2 3.42Å; S43-D161 PolarHBondContact N-OD2 3.44Å; S43-D161 PolarHBondContact OG-OD2 2.89Å
44	H	82.5	Confident	86.6	Confident	180 Å²	180	73.1 Å²	73.1	83%	0.833	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-71.9	-24.3	177.9	-71.1	-70.4	0	0	0	114.7	S42	S42-H44 PolarHBondContact O-N 3.17Å
45	D	84.2	Confident	86.6	Confident	47 Å²	47	67.9 Å²	67.9	25%	0.251	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-89.9	-5.8	-176.1	-159.3	37.8	0	0	0	112.7	L41 S42 V47 R48 R49	L41-D45 HydrophobicContact CD1-CB 4.23Å; S42-D45 PolarHBondContact O-N 2.71Å; S42-D45 VanDerWaalsContact O-N 3.08Å; D45-V47 PolarHBondContact O-N 2.88Å; D45-R48 PolarHBondContact O-N 2.85Å; D45-R49 WeakPolarHBondContact O-CG 3.39Å; D45-R49 PolarHBondContact O-N 2.91Å; D45-R49 VanDerWaalsContact O-N 3.11Å; D45-R49 IonicContact OD2-CZ 2.61Å; D45-R49 VanDerWaalsContact OD2-CZ 3.22Å; D45-R49 IonicContact OD2-NE 2.74Å; D45-R49 PolarHBondContact OD2-NE 2.88Å; D45-R49 IonicContact OD2-NH2 2.77Å; D45-R49 PolarHBondContact OD2-NH2 3.27Å
46	L	87	Confident	86.6	Confident	22 Å²	22	68 Å²	68	12%	0.115	36%	0.362	C	S	.	.	H	α-helix	trans	-59.8	-44.1	-173.2	-64.5	176.5	0	0	0	113.7	L41 S43 R49 R50 V173	L41-L46 HydrophobicContact CD2-CD2 3.69Å; L41-L46 HydrophobicContact CG-CD2 4.37Å; S43-L46 WeakPolarHBondContact O-CD1 3.23Å; S43-L46 WeakPolarHBondContact O-CG 3.42Å; L46-R49 PolarHBondContact O-N 3.42Å; L46-R50 WeakPolarHBondContact O-CG 3.36Å; L46-R50 PolarHBondContact O-N 3.3Å; L46-V173 HydrophobicContact CD2-CG2 3.67Å
47	V	87.6	Confident	86.3	Confident	100 Å²	100	70.6 Å²	70.6	61%	0.606	37%	0.373	S	S	*	.	H	α-helix	trans	-63.3	-50.2	-178.8	-179.7	0	0	0	0	110.3	D45 R49 R50 E51	D45-V47 PolarHBondContact O-N 2.88Å; V47-R49 PolarHBondContact O-N 2.63Å; V47-R50 WeakPolarHBondContact O-CB 3.22Å; V47-R50 PolarHBondContact O-N 2.95Å; V47-E51 PolarHBondContact O-N 3.03Å
48	R	88.9	Confident	85.8	Confident	167 Å²	167	71.1 Å²	71.1	63%	0.63	37%	0.372	S	S	*	.	H	α-helix	trans	-57.6	-36.5	178	-172.1	-173.5	-173	171.8	7.5	112.4	D45 E51 V52	D45-R48 PolarHBondContact O-N 2.85Å; R48-E51 PolarHBondContact O-N 2.99Å; R48-V52 WeakPolarHBondContact O-CB 3.44Å; R48-V52 VanDerWaalsContact O-CG2 3.31Å; R48-V52 WeakPolarHBondContact O-CG2 3.11Å; R48-V52 PolarHBondContact O-N 3.36Å
49	R	89.4	Confident	85	Confident	13 Å²	13	70 Å²	70	5%	0.049	37%	0.367	C	S	.	.	H	α-helix	trans	-70.5	-33.5	177.5	-70.6	-177	-171.8	-131.6	-3.6	112.9	L33 L41 D45 L46 V47 E51 V52 F53 V173 V174	L33-R49 PolarHBondContact O-NH1 3.11Å; L33-R49 PolarHBondContact O-NH2 3.17Å; L41-R49 VanDerWaalsContact CD1-NH2 3.34Å; D45-R49 WeakPolarHBondContact O-CG 3.39Å; D45-R49 PolarHBondContact O-N 2.91Å; D45-R49 VanDerWaalsContact O-N 3.11Å; D45-R49 IonicContact OD2-CZ 2.61Å; D45-R49 VanDerWaalsContact OD2-CZ 3.22Å; D45-R49 IonicContact OD2-NE 2.74Å; D45-R49 PolarHBondContact OD2-NE 2.88Å; D45-R49 IonicContact OD2-NH2 2.77Å; D45-R49 PolarHBondContact OD2-NH2 3.27Å; L46-R49 PolarHBondContact O-N 3.42Å; V47-R49 PolarHBondContact O-N 2.63Å; R49-E51 VanDerWaalsContact C-N 3.33Å; R49-V52 PolarHBondContact O-N 3.17Å; R49-F53 HydrophobicContact CB-CD2 4.16Å; R49-F53 HydrophobicContact CG-CD2 4.31Å; R49-F53 HydrophobicContact CG-CE2 4.33Å; R49-F53 WeakPolarHBondContact O-CB 3.18Å; R49-F53 PolarHBondContact O-N 2.99Å; R49-V173 HydrophobicContact CB-CB 4.03Å; R49-V173 HydrophobicContact CB-CG1 4.38Å; R49-V173 HydrophobicContact CB-CG2 4.17Å; R49-V174 WeakPolarHBondContact CD-O 3.46Å; R49-V174 PolarHBondContact NH1-O 3.3Å
50	R	88.2	Confident	84.1	Confident	76 Å²	76	68.2 Å²	68.2	29%	0.287	37%	0.365	S	S	.	.	H	α-helix	trans	-65.1	-38.6	173.2	-66	171.8	-170.3	-156	-1.2	111.6	L46 V47 G54 T55 D171 V173	L46-R50 WeakPolarHBondContact O-CG 3.36Å; L46-R50 PolarHBondContact O-N 3.3Å; V47-R50 WeakPolarHBondContact O-CB 3.22Å; V47-R50 PolarHBondContact O-N 2.95Å; R50-G54 CarbonylContact O-C 3.58Å; R50-G54 WeakPolarHBondContact O-CA 3.32Å; R50-G54 PolarHBondContact O-N 3.23Å; R50-T55 HydrophobicContact CB-CG2 4.27Å; R50-T55 HydrophobicContact CG-CG2 4.3Å; R50-D171 IonicContact CZ-OD1 3.06Å; R50-D171 IonicContact NH1-OD1 2.81Å; R50-D171 PolarHBondContact NH1-OD1 2.78Å; R50-D171 VanDerWaalsContact NH2-CA 3.27Å; R50-D171 PolarHBondContact NH2-O 2.85Å; R50-D171 IonicContact NH2-OD1 3.69Å; R50-D171 PolarHBondContact NH2-OD1 2.81Å; R50-V173 HydrophobicContact CG-CG1 3.67Å
51	E	87	Confident	82.9	Confident	152 Å²	152	72.3 Å²	72.3	71%	0.71	39%	0.389	S	S	*	.	H	α-helix	trans	-66.1	-39.7	174.4	-63.9	170.1	167.5	0	0	112.7	V47 R48 R49	V47-E51 PolarHBondContact O-N 3.03Å; R48-E51 PolarHBondContact O-N 2.99Å; R49-E51 VanDerWaalsContact C-N 3.33Å
52	V	87.4	Confident	81.9	Confident	92 Å²	92	77.4 Å²	77.4	56%	0.558	42%	0.423	S	S	*	.	H	α-helix	trans	-88.1	-32.5	-173.1	172.5	0	0	0	0	114	R48 R49	R48-V52 WeakPolarHBondContact O-CB 3.44Å; R48-V52 VanDerWaalsContact O-CG2 3.31Å; R48-V52 WeakPolarHBondContact O-CG2 3.11Å; R48-V52 PolarHBondContact O-N 3.36Å; R49-V52 PolarHBondContact O-N 3.17Å
53	F	88.3	Confident	81.1	Confident	41 Å²	41	78.9 Å²	78.9	18%	0.18	43%	0.431	C	S	.	.	H	α-helix	trans	-116.5	-9.1	-174.6	-60.7	-80.4	0	0	0	114.2	M1 L4 R49 V174 N243	M1-F53 HydrophobicContact SD-CD1 3.89Å; M1-F53 HydrophobicContact SD-CE1 4.47Å; L4-F53 HydrophobicContact CD1-CE1 4.32Å; R49-F53 HydrophobicContact CB-CD2 4.16Å; R49-F53 HydrophobicContact CG-CD2 4.31Å; R49-F53 HydrophobicContact CG-CE2 4.33Å; R49-F53 WeakPolarHBondContact O-CB 3.18Å; R49-F53 PolarHBondContact O-N 2.99Å; F53-V174 HydrophobicContact CB-CB 4.09Å; F53-V174 HydrophobicContact CB-CG2 3.7Å; F53-V174 HydrophobicContact CD1-CB 4.04Å; F53-V174 HydrophobicContact CD1-CG1 4.04Å; F53-V174 HydrophobicContact CD1-CG2 4.02Å; F53-V174 HydrophobicContact CD2-CB 4.03Å; F53-V174 HydrophobicContact CE1-CB 4.47Å; F53-V174 HydrophobicContact CE1-CG1 4.05Å; F53-V174 HydrophobicContact CE2-CB 4.47Å; F53-V174 HydrophobicContact CG-CB 3.8Å; F53-V174 HydrophobicContact CG-CG1 4.28Å; F53-V174 HydrophobicContact CG-CG2 3.88Å; F53-V174 HydrophobicContact CZ-CG1 4.3Å; F53-N243 PolarHBondContact O-ND2 3.24Å
54	G	86.4	Confident	80.9	Confident	27 Å²	27	78 Å²	78	28%	0.278	42%	0.419	S	S	.	.			trans	88.7	177.1	-172.1	0	0	0	0	0	113.4	R50	R50-G54 CarbonylContact O-C 3.58Å; R50-G54 WeakPolarHBondContact O-CA 3.32Å; R50-G54 PolarHBondContact O-N 3.23Å
55	T	87.6	Confident	81.1	Confident	66 Å²	66	72.2 Å²	72.2	41%	0.405	40%	0.4	S	S	.	.			trans	-95.7	157.9	174.5	51.1	0	0	0	0	111.1	R50 I57	R50-T55 HydrophobicContact CB-CG2 4.27Å; R50-T55 HydrophobicContact CG-CG2 4.3Å; T55-I57 PolarHBondContact O-N 3.17Å
56	N	88.8	Confident	81.2	Confident	12 Å²	12	73 Å²	73	6%	0.064	40%	0.401	C	S	.	.	S	Bend	trans	-83.8	48.7	176.7	-161.5	44.7	0	0	0	112.8	V169 I172 P187 V240 G241	N56-V169 WeakPolarHBondContact CB-O 3.39Å; N56-V169 PolarHBondContact ND2-O 3.33Å; N56-I172 HydrophobicContact CB-CB 4.31Å; N56-P187 PolarHBondContact ND2-O 3.11Å; N56-P187 PolarHBondContact OD1-O 2.74Å; N56-V240 HydrophobicContact CB-CB 3.86Å; N56-V240 HydrophobicContact CB-CG1 4.14Å; N56-V240 VanDerWaalsContact OD1-CA 3.29Å; N56-V240 WeakPolarHBondContact OD1-CA 3.48Å; N56-V240 VanDerWaalsContact OD1-CB 3.31Å; N56-V240 WeakPolarHBondContact OD1-CB 3.34Å; N56-G241 PolarHBondContact OD1-N 3.47Å
57	I	82.2	Confident	81.3	Confident	90 Å²	90	79 Å²	79	46%	0.462	43%	0.426	S	S	.	.			trans	-128.6	126	-179.1	-57.5	176.6	0	0	0	108	T55	T55-I57 PolarHBondContact O-N 3.17Å
58	I	75.1	Confident	81.4	Confident	60 Å²	60	78.3 Å²	78.3	31%	0.308	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-87.3	122.1	168.6	-60.6	171.4	0	0	0	106.3	F250	I58-F250 HydrophobicContact CG2-CD1 3.55Å; I58-F250 HydrophobicContact CG2-CE1 4.04Å; I58-F250 HydrophobicContact CG2-CG 4.21Å
59	P	66.9	Low	81.1	Confident	87 Å²	87	71.1 Å²	71.1	57%	0.565	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-67.5	126.7	-173.6	26	-33.3	0	0	0	110.9	V242	P59-V242 VanDerWaalsContact CD-CG1 3.48Å; P59-V242 HydrophobicContact CG-CG1 4.27Å
60	P	66.7	Low	80.9	Confident	79 Å²	79	73.3 Å²	73.3	51%	0.513	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-69.8	160.4	176.5	29.9	-35.5	0	0	0	111.1
61	T	63.5	Low	81	Confident	92 Å²	92	77.7 Å²	77.7	56%	0.564	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-59	136.7	177.6	51	0	0	0	0	111.1	R144	T61-R144 PolarHBondContact O-NH1 2.81Å; T61-R144 PolarHBondContact O-NH2 2.91Å
62	P	65.6	Low	80.7	Confident	112 Å²	112	73 Å²	73	73%	0.727	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-63.2	147.1	-176.3	25.6	-34.3	0	0	0	111.1
63	P	68.7	Low	80.3	Confident	79 Å²	79	69.5 Å²	69.5	51%	0.513	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-63.1	139.3	176.6	26.4	-33.2	0	0	0	110.6	S65	P63-S65 PolarHBondContact O-N 2.91Å
64	K	76.4	Confident	80.1	Confident	43 Å²	43	69.6 Å²	69.6	19%	0.187	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-57.5	134.1	166.1	-62.6	-166	-169.7	-171.8	0	109.1	Q68 L69 E72 G343	K64-Q68 HydrophobicContact CB-CB 4.44Å; K64-Q68 HydrophobicContact CB-CG 4.38Å; K64-Q68 HydrophobicContact CD-CG 4.36Å; K64-L69 HydrophobicContact CB-CD2 4.1Å; K64-L69 HydrophobicContact CB-CG 4.13Å; K64-L69 HydrophobicContact CD-CD2 3.87Å; K64-E72 IonicContact NZ-OE1 2.61Å; K64-E72 PolarHBondContact NZ-OE1 2.86Å; K64-E72 IonicContact NZ-OE2 3.91Å; K64-E72 PolarHBondContact NZ-OE2 3.16Å; K64-G343 PolarHBondContact NZ-O 2.78Å
65	S	86.7	Confident	80	Confident	60 Å²	60	72.7 Å²	72.7	42%	0.42	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-67.4	155.3	175.1	73.1	0	0	0	0	110.6	P63 F67 Q68 L69	P63-S65 PolarHBondContact O-N 2.91Å; S65-F67 PolarHBondContact O-N 3.18Å; S65-Q68 WeakPolarHBondContact O-CB 3.45Å; S65-Q68 PolarHBondContact O-N 3Å; S65-Q68 WeakPolarHBondContact OG-CB 3.31Å; S65-Q68 PolarHBondContact OG-N 3.15Å; S65-Q68 VanDerWaalsContact OG-N 3.09Å; S65-L69 PolarHBondContact O-N 3.23Å
66	F	87.7	Confident	79.5	Confident	63 Å²	63	73.1 Å²	73.1	28%	0.276	39%	0.387	S	S	.	.	H	α-helix	trans	-55.7	-39	174.7	179.3	-94.5	0	0	0	111.8	Q68 L69 M70 A133 W137	F66-Q68 PolarHBondContact O-N 2.91Å; F66-L69 PolarHBondContact O-N 2.87Å; F66-M70 WeakPolarHBondContact O-CB 3.42Å; F66-M70 PolarHBondContact O-N 3.26Å; F66-A133 HydrophobicContact CE2-CB 4.22Å; F66-A133 HydrophobicContact CZ-CB 4.3Å; F66-W137 HydrophobicContact CD2-CB 4.06Å; F66-W137 HydrophobicContact CD2-CG 4.17Å
67	F	89.5	Confident	78.8	Confident	149 Å²	149	77.6 Å²	77.6	65%	0.654	41%	0.414	S	S	*	.	H	α-helix	trans	-66	-33.6	175	-66.9	-71.1	0	0	0	113.3	S65 M70 W71	S65-F67 PolarHBondContact O-N 3.18Å; F67-M70 HydrophobicContact CD1-CE 4.06Å; F67-M70 PolarHBondContact O-N 3.08Å; F67-W71 WeakPolarHBondContact O-CB 3.34Å; F67-W71 PolarHBondContact O-N 2.87Å
68	Q	88.3	Confident	78.2	Confident	84 Å²	84	74.2 Å²	74.2	39%	0.393	40%	0.398	S	S	.	.	H	α-helix	trans	-68.1	-42.4	174	-177.4	179.7	0.4	0	0	111.5	K64 S65 F66 M70 W71 E72	K64-Q68 HydrophobicContact CB-CB 4.44Å; K64-Q68 HydrophobicContact CB-CG 4.38Å; K64-Q68 HydrophobicContact CD-CG 4.36Å; S65-Q68 WeakPolarHBondContact O-CB 3.45Å; S65-Q68 PolarHBondContact O-N 3Å; S65-Q68 WeakPolarHBondContact OG-CB 3.31Å; S65-Q68 PolarHBondContact OG-N 3.15Å; S65-Q68 VanDerWaalsContact OG-N 3.09Å; F66-Q68 PolarHBondContact O-N 2.91Å; Q68-M70 VanDerWaalsContact C-N 3.34Å; Q68-W71 PolarHBondContact O-N 2.9Å; Q68-E72 WeakPolarHBondContact O-CG 3.42Å; Q68-E72 PolarHBondContact O-N 2.92Å
69	L	82.7	Confident	78.3	Confident	17 Å²	17	71.9 Å²	71.9	9%	0.089	39%	0.386	C	S	.	.	H	α-helix	trans	-62.9	-41.1	174.3	-66.2	172.1	0	0	0	111.5	K64 S65 F66 W71 E72 A73 A133 D136 W137	K64-L69 HydrophobicContact CB-CD2 4.1Å; K64-L69 HydrophobicContact CB-CG 4.13Å; K64-L69 HydrophobicContact CD-CD2 3.87Å; S65-L69 PolarHBondContact O-N 3.23Å; F66-L69 PolarHBondContact O-N 2.87Å; L69-W71 VanDerWaalsContact C-N 3.33Å; L69-W71 PolarHBondContact O-N 2.98Å; L69-E72 PolarHBondContact O-N 2.95Å; L69-A73 PolarHBondContact O-N 3.28Å; L69-A133 HydrophobicContact CB-CB 4.45Å; L69-D136 HydrophobicContact CD1-CB 4.41Å; L69-D136 HydrophobicContact CD2-CB 4.32Å; L69-W137 HydrophobicContact CD1-CB 3.83Å
70	M	86.2	Confident	79.1	Confident	58 Å²	58	71.2 Å²	71.2	29%	0.286	38%	0.377	S	S	.	.	H	α-helix	trans	-62.2	-38.6	173.7	-166.3	-173.6	75.2	0	0	112.4	F66 F67 Q68 L74 V129 A133	F66-M70 WeakPolarHBondContact O-CB 3.42Å; F66-M70 PolarHBondContact O-N 3.26Å; F67-M70 HydrophobicContact CD1-CE 4.06Å; F67-M70 PolarHBondContact O-N 3.08Å; Q68-M70 VanDerWaalsContact C-N 3.34Å; M70-L74 WeakPolarHBondContact O-CG 3.45Å; M70-L74 PolarHBondContact O-N 3.23Å; M70-L74 VanDerWaalsContact O-N 3.13Å; M70-V129 HydrophobicContact CG-CG1 3.6Å; M70-A133 HydrophobicContact CB-CB 4.04Å; M70-A133 HydrophobicContact CG-CB 4.49Å
71	W	89.6	Confident	79.5	Confident	169 Å²	169	70.5 Å²	70.5	64%	0.64	37%	0.371	S	S	*	.	H	α-helix	trans	-72.8	-31	175.8	-175.8	-104.6	0	0	0	113.4	F67 Q68 L69 L74 Q75	F67-W71 WeakPolarHBondContact O-CB 3.34Å; F67-W71 PolarHBondContact O-N 2.87Å; Q68-W71 PolarHBondContact O-N 2.9Å; L69-W71 VanDerWaalsContact C-N 3.33Å; L69-W71 PolarHBondContact O-N 2.98Å; W71-L74 HydrophobicContact CE3-CD1 4.48Å; W71-Q75 WeakPolarHBondContact O-CG 3.37Å; W71-Q75 PolarHBondContact O-NE2 2.92Å
72	E	81.1	Confident	80	Confident	53 Å²	53	66.2 Å²	66.2	25%	0.248	34%	0.344	C	S	.	.	H	α-helix	trans	-71.7	-39.9	171.9	-74	176.6	179.8	0	0	111.4	K64 Q68 L69 L74 Q75	K64-E72 IonicContact NZ-OE1 2.61Å; K64-E72 PolarHBondContact NZ-OE1 2.86Å; K64-E72 IonicContact NZ-OE2 3.91Å; K64-E72 PolarHBondContact NZ-OE2 3.16Å; Q68-E72 WeakPolarHBondContact O-CG 3.42Å; Q68-E72 PolarHBondContact O-N 2.92Å; L69-E72 PolarHBondContact O-N 2.95Å; E72-L74 VanDerWaalsContact C-N 3.31Å; E72-L74 PolarHBondContact O-N 3.11Å; E72-Q75 WeakPolarHBondContact O-CB 3.3Å; E72-Q75 PolarHBondContact O-N 3.19Å; E72-Q75 VanDerWaalsContact O-N 3.09Å
73	A	78.3	Confident	80.8	Confident	19 Å²	19	63.3 Å²	63.3	16%	0.157	32%	0.322	C	S	.	.	H	α-helix	trans	-62.4	-36.2	173.5	0	0	0	0	0	112.6	L69 Q75 D76 V129	L69-A73 PolarHBondContact O-N 3.28Å; A73-Q75 PolarHBondContact O-N 3.03Å; A73-D76 PolarHBondContact O-N 3.28Å; A73-V129 HydrophobicContact CB-CG1 4.35Å
74	L	85	Confident	81.6	Confident	43 Å²	43	63.6 Å²	63.6	23%	0.225	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-7.5	174.4	-77	164.4	0	0	0	114.5	M70 W71 E72 I80 M83 V129	M70-L74 WeakPolarHBondContact O-CG 3.45Å; M70-L74 PolarHBondContact O-N 3.23Å; M70-L74 VanDerWaalsContact O-N 3.13Å; W71-L74 HydrophobicContact CE3-CD1 4.48Å; E72-L74 VanDerWaalsContact C-N 3.31Å; E72-L74 PolarHBondContact O-N 3.11Å; L74-I80 WeakPolarHBondContact O-CG1 3.4Å; L74-M83 HydrophobicContact CD2-CE 3.89Å; L74-M83 HydrophobicContact CD2-SD 3.84Å; L74-V129 HydrophobicContact CD1-CG1 4.38Å; L74-V129 HydrophobicContact CD2-CG1 4.24Å; L74-V129 HydrophobicContact CD2-CG2 3.84Å; L74-V129 HydrophobicContact CG-CG1 3.89Å; L74-V129 HydrophobicContact CG-CG2 4.17Å
75	Q	84.6	Confident	81.4	Confident	91 Å²	91	62.2 Å²	62.2	43%	0.425	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	0.2	178.6	-74.4	172.8	52	0	0	114.3	W71 E72 A73 V77	W71-Q75 WeakPolarHBondContact O-CG 3.37Å; W71-Q75 PolarHBondContact O-NE2 2.92Å; E72-Q75 WeakPolarHBondContact O-CB 3.3Å; E72-Q75 PolarHBondContact O-N 3.19Å; E72-Q75 VanDerWaalsContact O-N 3.09Å; A73-Q75 PolarHBondContact O-N 3.03Å; Q75-V77 PolarHBondContact O-N 2.85Å
76	D	75.7	Confident	81	Confident	76 Å²	76	59.4 Å²	59.4	41%	0.406	30%	0.299	S	S	.	.			trans	-66.1	136.2	173.1	-152.6	-46.2	0	0	0	111	A73 T78 L79 I80	A73-D76 PolarHBondContact O-N 3.28Å; D76-T78 PolarHBondContact O-N 3.47Å; D76-T78 PolarHBondContact OD1-N 3.24Å; D76-T78 VanDerWaalsContact OD1-N 3.12Å; D76-T78 PolarHBondContact OD1-OG1 3.04Å; D76-L79 HydrophobicContact CB-CD1 4.4Å; D76-L79 HydrophobicContact CB-CG 4.42Å; D76-L79 PolarHBondContact O-N 3.42Å; D76-I80 WeakPolarHBondContact O-CB 3.4Å; D76-I80 VanDerWaalsContact O-CG1 3.26Å; D76-I80 WeakPolarHBondContact O-CG1 3.36Å; D76-I80 PolarHBondContact O-N 3.45Å
77	V	73.9	Confident	80.9	Confident	105 Å²	105	58.4 Å²	58.4	64%	0.636	30%	0.302	S	S	*	.	H	α-helix	trans	-64	-32.1	179.2	-176.1	0	0	0	0	110.7	Q75 V81	Q75-V77 PolarHBondContact O-N 2.85Å; V77-V81 HydrophobicContact CG1-CG2 4.34Å; V77-V81 WeakPolarHBondContact O-CB 3.34Å; V77-V81 VanDerWaalsContact O-CG2 3.23Å; V77-V81 WeakPolarHBondContact O-CG2 3.33Å; V77-V81 PolarHBondContact O-N 2.92Å
78	T	71	Confident	80.4	Confident	19 Å²	19	54 Å²	54	12%	0.117	29%	0.287	C	S	.	.	H	α-helix	trans	-61.4	-52.7	175	56.1	0	0	0	0	111	D76 V81 L82 E455	D76-T78 PolarHBondContact O-N 3.47Å; D76-T78 PolarHBondContact OD1-N 3.24Å; D76-T78 VanDerWaalsContact OD1-N 3.12Å; D76-T78 PolarHBondContact OD1-OG1 3.04Å; T78-V81 PolarHBondContact O-N 3.01Å; T78-L82 PolarHBondContact O-N 3.14Å; T78-E455 VanDerWaalsContact CB-OE1 3.28Å; T78-E455 WeakPolarHBondContact CB-OE1 3.5Å; T78-E455 PolarHBondContact OG1-OE1 2.98Å
79	L	77	Confident	79.6	Confident	11 Å²	11	50.7 Å²	50.7	6%	0.058	27%	0.274	C	S	.	.	H	α-helix	trans	-68.6	-38.3	-179.5	-63.4	176.3	0	0	0	112.2	D76 L82 M83 V129	D76-L79 HydrophobicContact CB-CD1 4.4Å; D76-L79 HydrophobicContact CB-CG 4.42Å; D76-L79 PolarHBondContact O-N 3.42Å; L79-L82 PolarHBondContact O-N 3.35Å; L79-M83 WeakPolarHBondContact O-CB 3.48Å; L79-M83 WeakPolarHBondContact O-CG 3.14Å; L79-M83 PolarHBondContact O-N 3.05Å; L79-V129 HydrophobicContact CD1-CG2 3.97Å
80	I	83.5	Confident	79.5	Confident	73 Å²	73	52 Å²	52	37%	0.374	28%	0.28	S	S	.	.	H	α-helix	trans	-60.4	-47.7	173.6	-71.4	166.5	0	0	0	110.9	L74 D76 L82 M83 V84	L74-I80 WeakPolarHBondContact O-CG1 3.4Å; D76-I80 WeakPolarHBondContact O-CB 3.4Å; D76-I80 VanDerWaalsContact O-CG1 3.26Å; D76-I80 WeakPolarHBondContact O-CG1 3.36Å; D76-I80 PolarHBondContact O-N 3.45Å; I80-L82 VanDerWaalsContact C-N 3.28Å; I80-L82 PolarHBondContact O-N 3.05Å; I80-M83 HydrophobicContact CG1-CE 4.11Å; I80-M83 PolarHBondContact O-N 3.24Å; I80-V84 WeakPolarHBondContact O-CG2 3.18Å; I80-V84 PolarHBondContact O-N 3.2Å
81	V	73.6	Confident	79.2	Confident	64 Å²	64	54.8 Å²	54.8	39%	0.388	30%	0.296	S	S	.	.	H	α-helix	trans	-63.9	-36.6	178.7	171.6	0	0	0	0	110.9	V77 T78 A85 V446	V77-V81 HydrophobicContact CG1-CG2 4.34Å; V77-V81 WeakPolarHBondContact O-CB 3.34Å; V77-V81 VanDerWaalsContact O-CG2 3.23Å; V77-V81 WeakPolarHBondContact O-CG2 3.33Å; V77-V81 PolarHBondContact O-N 2.92Å; T78-V81 PolarHBondContact O-N 3.01Å; V81-A85 WeakPolarHBondContact O-CB 3.5Å; V81-A85 PolarHBondContact O-N 3.21Å; V81-V446 HydrophobicContact CG1-CB 4.42Å; V81-V446 HydrophobicContact CG1-CG1 3.85Å; V81-V446 HydrophobicContact CG1-CG2 3.59Å
82	L	74.8	Confident	78.4	Confident	3 Å²	3	48.3 Å²	48.3	2%	0.016	27%	0.274	C	S	.	.	H	α-helix	trans	-68.8	-40.7	175.6	-161	74.8	0	0	0	112.8	T78 L79 I80 A85 A86 I121 V125 V446 L930	T78-L82 PolarHBondContact O-N 3.14Å; L79-L82 PolarHBondContact O-N 3.35Å; I80-L82 VanDerWaalsContact C-N 3.28Å; I80-L82 PolarHBondContact O-N 3.05Å; L82-A85 PolarHBondContact O-N 3.28Å; L82-A86 WeakPolarHBondContact O-CB 3.22Å; L82-A86 PolarHBondContact O-N 3.36Å; L82-I121 HydrophobicContact CD1-CG2 4.32Å; L82-I121 HydrophobicContact CD2-CG2 4.01Å; L82-I121 HydrophobicContact CG-CG2 3.78Å; L82-V125 HydrophobicContact CD2-CG2 3.73Å; L82-V125 HydrophobicContact CG-CG2 4.42Å; L82-V446 HydrophobicContact CD1-CG1 3.82Å; L82-L930 HydrophobicContact CD2-CD1 3.98Å; L82-L930 HydrophobicContact CD2-CD2 3.74Å; L82-L930 HydrophobicContact CD2-CG 4.49Å
83	M	83.3	Confident	77.8	Confident	50 Å²	50	46.1 Å²	46.1	25%	0.246	27%	0.265	C	S	.	.	H	α-helix	trans	-63.4	-41.9	173.8	-74.8	-173	-70.5	0	0	111.9	L74 L79 I80 A86 A87 V125	L74-M83 HydrophobicContact CD2-CE 3.89Å; L74-M83 HydrophobicContact CD2-SD 3.84Å; L79-M83 WeakPolarHBondContact O-CB 3.48Å; L79-M83 WeakPolarHBondContact O-CG 3.14Å; L79-M83 PolarHBondContact O-N 3.05Å; I80-M83 HydrophobicContact CG1-CE 4.11Å; I80-M83 PolarHBondContact O-N 3.24Å; M83-A86 PolarHBondContact O-N 2.82Å; M83-A87 WeakPolarHBondContact O-CB 3.2Å; M83-A87 PolarHBondContact O-N 2.81Å; M83-V125 HydrophobicContact CG-CG1 3.92Å; M83-V125 HydrophobicContact CG-CG2 4.36Å; M83-V125 HydrophobicContact SD-CG1 4.08Å
84	V	83.8	Confident	77.7	Confident	85 Å²	85	48.7 Å²	48.7	52%	0.515	28%	0.275	S	S	.	.	H	α-helix	trans	-63.4	-44.4	174.2	170.4	0	0	0	0	110.7	I80 A86 A87 V88	I80-V84 WeakPolarHBondContact O-CG2 3.18Å; I80-V84 PolarHBondContact O-N 3.2Å; V84-A86 PolarHBondContact O-N 3.33Å; V84-A87 PolarHBondContact O-N 2.89Å; V84-V88 WeakPolarHBondContact O-CG2 3.25Å; V84-V88 PolarHBondContact O-N 2.84Å
85	A	73.6	Confident	77	Confident	15 Å²	15	53 Å²	53	12%	0.124	29%	0.29	C	S	.	.	H	α-helix	trans	-61.4	-45.2	177.2	0	0	0	0	0	111.8	V81 L82 A87 V88 S89 I443	V81-A85 WeakPolarHBondContact O-CB 3.5Å; V81-A85 PolarHBondContact O-N 3.21Å; L82-A85 PolarHBondContact O-N 3.28Å; A85-A87 PolarHBondContact O-N 3.41Å; A85-V88 PolarHBondContact O-N 3.42Å; A85-S89 PolarHBondContact O-N 3.4Å; A85-S89 PolarHBondContact O-OG 3.48Å; A85-I443 HydrophobicContact CB-CG1 4.11Å
86	A	78.6	Confident	76.1	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-63.7	-39.3	176.4	0	0	0	0	0	112.9	L82 M83 V84 S89 L90 I121 L122	L82-A86 WeakPolarHBondContact O-CB 3.22Å; L82-A86 PolarHBondContact O-N 3.36Å; M83-A86 PolarHBondContact O-N 2.82Å; V84-A86 PolarHBondContact O-N 3.33Å; A86-S89 PolarHBondContact O-N 2.88Å; A86-L90 WeakPolarHBondContact O-CB 3.43Å; A86-L90 PolarHBondContact O-N 2.64Å; A86-I121 HydrophobicContact CB-CB 3.96Å; A86-I121 HydrophobicContact CB-CG2 3.73Å; A86-L122 HydrophobicContact CB-CD2 3.97Å; A86-L122 HydrophobicContact CB-CG 3.91Å
87	A	84.5	Confident	75.6	Confident	42 Å²	42	54 Å²	54	35%	0.347	30%	0.299	S	S	.	.	H	α-helix	trans	-64.8	-40.3	174.3	0	0	0	0	0	112.1	M83 V84 A85 L90 L91	M83-A87 WeakPolarHBondContact O-CB 3.2Å; M83-A87 PolarHBondContact O-N 2.81Å; V84-A87 PolarHBondContact O-N 2.89Å; A85-A87 PolarHBondContact O-N 3.41Å; A87-L90 PolarHBondContact O-N 2.8Å; A87-L91 WeakPolarHBondContact O-CB 3.36Å; A87-L91 VanDerWaalsContact O-CG 3.26Å; A87-L91 WeakPolarHBondContact O-CG 3.5Å; A87-L91 PolarHBondContact O-N 2.83Å
88	V	79.1	Confident	75.3	Confident	56 Å²	56	57.5 Å²	57.5	34%	0.339	30%	0.302	S	S	.	.	H	α-helix	trans	-66.7	-41.6	174.3	174.9	0	0	0	0	111.1	V84 A85 L90 L91 L92 V439	V84-V88 WeakPolarHBondContact O-CG2 3.25Å; V84-V88 PolarHBondContact O-N 2.84Å; A85-V88 PolarHBondContact O-N 3.42Å; V88-L90 PolarHBondContact O-N 2.65Å; V88-L91 PolarHBondContact O-N 3.1Å; V88-L92 HydrophobicContact CG1-CD1 4.08Å; V88-L92 HydrophobicContact CG1-CG 4.4Å; V88-L92 WeakPolarHBondContact O-CB 3.39Å; V88-L92 WeakPolarHBondContact O-CG 3.44Å; V88-L92 PolarHBondContact O-N 2.84Å; V88-V439 HydrophobicContact CG1-CG1 3.98Å; V88-V439 HydrophobicContact CG1-CG2 3.97Å
89	S	72.4	Confident	74.8	Confident	16 Å²	16	63.8 Å²	63.8	11%	0.112	33%	0.328	C	S	.	.	H	α-helix	trans	-57.5	-47.7	172.9	-56.5	0	0	0	0	111.8	A85 A86 L92 A93 I443	A85-S89 PolarHBondContact O-N 3.4Å; A85-S89 PolarHBondContact O-OG 3.48Å; A86-S89 PolarHBondContact O-N 2.88Å; S89-L92 PolarHBondContact O-N 3.09Å; S89-A93 WeakPolarHBondContact O-CB 3.46Å; S89-A93 PolarHBondContact O-N 3.09Å; S89-I443 WeakPolarHBondContact OG-CD1 3.31Å
90	L	80.5	Confident	73.6	Confident	44 Å²	44	65.8 Å²	65.8	23%	0.23	35%	0.352	C	S	.	.	H	α-helix	trans	-64.3	-42.2	179.4	-174.3	62.3	0	0	0	111.6	A86 A87 V88 A93 L94 W115 V119	A86-L90 WeakPolarHBondContact O-CB 3.43Å; A86-L90 PolarHBondContact O-N 2.64Å; A87-L90 PolarHBondContact O-N 2.8Å; V88-L90 PolarHBondContact O-N 2.65Å; L90-A93 PolarHBondContact O-N 3.46Å; L90-L94 HydrophobicContact CD1-CD1 4.38Å; L90-L94 HydrophobicContact CG-CD1 4.04Å; L90-L94 WeakPolarHBondContact O-CB 3.38Å; L90-L94 WeakPolarHBondContact O-CD1 3.42Å; L90-L94 WeakPolarHBondContact O-CG 3.48Å; L90-L94 PolarHBondContact O-N 2.88Å; L90-W115 HydrophobicContact CD1-CB 4.09Å; L90-V119 HydrophobicContact CD1-CG2 4.14Å
91	L	80	Confident	71.7	Confident	116 Å²	116	65.4 Å²	65.4	61%	0.607	37%	0.365	S	S	*	.	H	α-helix	trans	-64.3	-38.3	175.5	-75.1	170.1	0	0	0	112.5	A87 V88 Y95	A87-L91 WeakPolarHBondContact O-CB 3.36Å; A87-L91 VanDerWaalsContact O-CG 3.26Å; A87-L91 WeakPolarHBondContact O-CG 3.5Å; A87-L91 PolarHBondContact O-N 2.83Å; V88-L91 PolarHBondContact O-N 3.1Å; L91-Y95 VanDerWaalsContact O-CB 3.26Å; L91-Y95 WeakPolarHBondContact O-CB 3.35Å; L91-Y95 PolarHBondContact O-N 3.38Å
92	L	71.5	Confident	69.8	Low	33 Å²	33	71.5 Å²	71.5	17%	0.173	39%	0.389	C	S	.	.	H	α-helix	trans	-71.5	-39.7	175.9	-72.3	175.9	0	0	0	112.3	V88 S89 Y95 S96 L435 V439	V88-L92 HydrophobicContact CG1-CD1 4.08Å; V88-L92 HydrophobicContact CG1-CG 4.4Å; V88-L92 WeakPolarHBondContact O-CB 3.39Å; V88-L92 WeakPolarHBondContact O-CG 3.44Å; V88-L92 PolarHBondContact O-N 2.84Å; S89-L92 PolarHBondContact O-N 3.09Å; L92-Y95 PolarHBondContact O-N 2.92Å; L92-S96 WeakPolarHBondContact O-CB 3.4Å; L92-S96 PolarHBondContact O-N 3.03Å; L92-L435 HydrophobicContact CD2-CD2 4.36Å; L92-V439 HydrophobicContact CD1-CB 4.01Å; L92-V439 HydrophobicContact CD1-CG1 4.13Å; L92-V439 HydrophobicContact CD1-CG2 3.84Å
93	A	69.1	Low	68	Low	8 Å²	8	79.9 Å²	79.9	7%	0.066	43%	0.428	C	S	.	.	H	α-helix	trans	-62.5	-43.1	173.6	0	0	0	0	0	111.5	S89 L90 S96 K97 S114 W115	S89-A93 WeakPolarHBondContact O-CB 3.46Å; S89-A93 PolarHBondContact O-N 3.09Å; L90-A93 PolarHBondContact O-N 3.46Å; A93-S96 PolarHBondContact O-N 3.12Å; A93-K97 WeakPolarHBondContact O-CB 3.29Å; A93-K97 PolarHBondContact O-N 3.19Å; A93-S114 WeakPolarHBondContact CB-OG 3.43Å; A93-W115 HydrophobicContact CB-CB 4.14Å
94	L	75.8	Confident	65.7	Low	72 Å²	72	82.4 Å²	82.4	38%	0.377	45%	0.451	S	S	.	.	H	α-helix	trans	-66	-42.2	173.9	-70.8	168.4	0	0	0	112	L90 S96 K97 Y98	L90-L94 HydrophobicContact CD1-CD1 4.38Å; L90-L94 HydrophobicContact CG-CD1 4.04Å; L90-L94 WeakPolarHBondContact O-CB 3.38Å; L90-L94 WeakPolarHBondContact O-CD1 3.42Å; L90-L94 WeakPolarHBondContact O-CG 3.48Å; L90-L94 PolarHBondContact O-N 2.88Å; L94-S96 VanDerWaalsContact C-N 3.35Å; L94-S96 PolarHBondContact O-N 2.95Å; L94-K97 PolarHBondContact O-N 2.96Å; L94-Y98 HydrophobicContact CD2-CD2 4.45Å; L94-Y98 HydrophobicContact CD2-CE2 4.05Å; L94-Y98 WeakPolarHBondContact O-CB 3.29Å; L94-Y98 WeakPolarHBondContact O-CD2 3.2Å; L94-Y98 PolarHBondContact O-N 3.36Å
95	Y	71.6	Confident	63.1	Low	134 Å²	134	84.6 Å²	84.6	53%	0.525	47%	0.47	S	S	.	.	H	α-helix	trans	-62.4	-43	176.2	-175.7	-91.6	0	0	0	111.4	L91 L92 K97 Y98 F99 G100	L91-Y95 VanDerWaalsContact O-CB 3.26Å; L91-Y95 WeakPolarHBondContact O-CB 3.35Å; L91-Y95 PolarHBondContact O-N 3.38Å; L92-Y95 PolarHBondContact O-N 2.92Å; Y95-K97 PolarHBondContact O-N 3.41Å; Y95-Y98 PolarHBondContact O-N 2.96Å; Y95-F99 HydrophobicContact CD1-CB 4.39Å; Y95-F99 HydrophobicContact CD2-CB 4.04Å; Y95-F99 AromaticContact CD2-CD2 3.68Å; Y95-F99 HydrophobicContact CD2-CD2 3.68Å; Y95-F99 HydrophobicContact CD2-CE2 4.44Å; Y95-F99 HydrophobicContact CD2-CG 4.06Å; Y95-F99 HydrophobicContact CE1-CB 4.05Å; Y95-F99 HydrophobicContact CE2-CB 3.69Å; Y95-F99 HydrophobicContact CE2-CD1 4.43Å; Y95-F99 AromaticContact CE2-CD2 3.78Å; Y95-F99 HydrophobicContact CE2-CD2 3.78Å; Y95-F99 AromaticContact CE2-CG 3.72Å; Y95-F99 HydrophobicContact CE2-CG 3.72Å; Y95-F99 HydrophobicContact CG-CB 4.38Å; Y95-F99 HydrophobicContact CG-CD2 4.47Å; Y95-F99 WeakPolarHBondContact O-CA 3.28Å; Y95-F99 WeakPolarHBondContact O-CB 3.38Å; Y95-F99 PolarHBondContact O-N 2.69Å; Y95-G100 PolarHBondContact O-N 2.87Å
96	S	65.1	Low	61.4	Low	79 Å²	79	86.5 Å²	86.5	55%	0.552	49%	0.491	S	S	*	.	H	α-helix	trans	-57.6	-47.8	172.3	-166.5	0	0	0	0	111.2	L92 A93 L94 Y98 G100	L92-S96 WeakPolarHBondContact O-CB 3.4Å; L92-S96 PolarHBondContact O-N 3.03Å; A93-S96 PolarHBondContact O-N 3.12Å; L94-S96 VanDerWaalsContact C-N 3.35Å; L94-S96 PolarHBondContact O-N 2.95Å; S96-Y98 PolarHBondContact O-N 2.94Å; S96-G100 VanDerWaalsContact O-CA 3.28Å; S96-G100 WeakPolarHBondContact O-CA 3.5Å; S96-G100 PolarHBondContact O-N 2.85Å
97	K	65.8	Low	59.5	Low	108 Å²	108	91.4 Å²	91.4	47%	0.47	52%	0.517	S	S	.	.	H	α-helix	trans	-69.5	-25.3	-178.7	-170.8	158.5	-172.3	155.5	0	115	A93 L94 Y95 E112	A93-K97 WeakPolarHBondContact O-CB 3.29Å; A93-K97 PolarHBondContact O-N 3.19Å; L94-K97 PolarHBondContact O-N 2.96Å; Y95-K97 PolarHBondContact O-N 3.41Å; K97-E112 IonicContact NZ-OE1 3.86Å; K97-E112 PolarHBondContact NZ-OE1 2.88Å
98	Y	66.6	Low	57.4	Low	180 Å²	180	98 Å²	98	71%	0.706	54%	0.541	S	S	*	.	H	α-helix	trans	-109.7	-23.1	-176.8	-76.6	-70.3	0	0	0	115.5	L94 Y95 S96	L94-Y98 HydrophobicContact CD2-CD2 4.45Å; L94-Y98 HydrophobicContact CD2-CE2 4.05Å; L94-Y98 WeakPolarHBondContact O-CB 3.29Å; L94-Y98 WeakPolarHBondContact O-CD2 3.2Å; L94-Y98 PolarHBondContact O-N 3.36Å; Y95-Y98 PolarHBondContact O-N 2.96Å; S96-Y98 PolarHBondContact O-N 2.94Å
99	F	59.8	Low	56	Low	150 Å²	150	98.6 Å²	98.6	66%	0.658	55%	0.545	S	S	*	.	H	α-helix	trans	-124.3	-7.3	-178.5	-69.7	-88.2	0	0	0	113.6	Y95 G101	Y95-F99 HydrophobicContact CD1-CB 4.39Å; Y95-F99 HydrophobicContact CD2-CB 4.04Å; Y95-F99 AromaticContact CD2-CD2 3.68Å; Y95-F99 HydrophobicContact CD2-CD2 3.68Å; Y95-F99 HydrophobicContact CD2-CE2 4.44Å; Y95-F99 HydrophobicContact CD2-CG 4.06Å; Y95-F99 HydrophobicContact CE1-CB 4.05Å; Y95-F99 HydrophobicContact CE2-CB 3.69Å; Y95-F99 HydrophobicContact CE2-CD1 4.43Å; Y95-F99 AromaticContact CE2-CD2 3.78Å; Y95-F99 HydrophobicContact CE2-CD2 3.78Å; Y95-F99 AromaticContact CE2-CG 3.72Å; Y95-F99 HydrophobicContact CE2-CG 3.72Å; Y95-F99 HydrophobicContact CG-CB 4.38Å; Y95-F99 HydrophobicContact CG-CD2 4.47Å; Y95-F99 WeakPolarHBondContact O-CA 3.28Å; Y95-F99 WeakPolarHBondContact O-CB 3.38Å; Y95-F99 PolarHBondContact O-N 2.69Å; F99-G101 PolarHBondContact O-N 3.22Å; F99-G101 VanDerWaalsContact O-N 3.08Å
100	G	52.6	Low	54.8	Low	54 Å²	54	101.6 Å²	101.6	56%	0.557	56%	0.557	S	S	*	*			trans	-71.8	94.3	168.6	0	0	0	0	0	110.9	Y95 S96	Y95-G100 PolarHBondContact O-N 2.87Å; S96-G100 VanDerWaalsContact O-CA 3.28Å; S96-G100 WeakPolarHBondContact O-CA 3.5Å; S96-G100 PolarHBondContact O-N 2.85Å
101	G	42.8	Very low	53.3	Low	64 Å²	64	101.9 Å²	101.9	66%	0.66	57%	0.571	S	S	*	*			trans	-62.4	154.6	179.4	0	0	0	0	0	114	F99 H103	F99-G101 PolarHBondContact O-N 3.22Å; F99-G101 VanDerWaalsContact O-N 3.08Å; G101-H103 PolarHBondContact O-N 2.89Å
102	E	34	Very low	52.1	Low	192 Å²	192	102 Å²	102	90%	0.897	57%	0.568	S	S	*	*	S	Bend	trans	-57.9	87	-169.9	-58.8	171	110.3	0	0	115.2
103	H	38.7	Very low	51.7	Low	179 Å²	179	101.9 Å²	101.9	83%	0.829	57%	0.569	S	S	*	*			trans	-142.2	128.4	170.8	-81.6	-37.1	0	0	0	115.9	G101	G101-H103 PolarHBondContact O-N 2.89Å
104	S	33.3	Very low	51.3	Low	103 Å²	103	103.8 Å²	103.8	72%	0.72	58%	0.582	S	S	*	*			trans	78.3	69	149.7	-53.1	0	0	0	0	119.7	G106	S104-G106 PolarHBondContact O-N 3.33Å; S104-G106 VanDerWaalsContact O-N 3.08Å
105	S	30.9	Very low	51.4	Low	131 Å²	131	105.7 Å²	105.7	92%	0.916	58%	0.584	S	S	*	*			trans	44.9	54.9	134.1	65.8	0	0	0	0	117.4
106	G	36.9	Very low	51.6	Low	55 Å²	55	101.2 Å²	101.2	57%	0.567	57%	0.569	S	S	*	*			trans	-106	171.2	160.7	0	0	0	0	0	110.9	S104 E108	S104-G106 PolarHBondContact O-N 3.33Å; S104-G106 VanDerWaalsContact O-N 3.08Å; G106-E108 PolarHBondContact O-N 2.69Å
107	D	37.7	Very low	51.8	Low	103 Å²	103	100.7 Å²	100.7	55%	0.551	56%	0.558	S	S	*	*			trans	-64.6	124.2	178.7	-154.3	-35.6	0	0	0	109.7	T109 E110	D107-T109 PolarHBondContact O-N 3.06Å; D107-T109 PolarHBondContact OD1-OG1 2.88Å; D107-E110 HydrophobicContact CB-CG 4.39Å; D107-E110 PolarHBondContact O-N 2.94Å
108	E	40.4	Very low	52.3	Low	181 Å²	181	95.5 Å²	95.5	85%	0.846	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-24.4	-170.8	-65	-175.8	150.7	0	0	112.7	G106 E110	G106-E108 PolarHBondContact O-N 2.69Å; E108-E110 VanDerWaalsContact C-N 3.32Å; E108-E110 PolarHBondContact O-N 3.32Å
109	T	51	Low	53.2	Low	69 Å²	69	89.3 Å²	89.3	42%	0.423	52%	0.516	S	S	.	.	H	α-helix	trans	-66	-23.8	177.4	57.1	0	0	0	0	114.7	D107 E112 V113	D107-T109 PolarHBondContact O-N 3.06Å; D107-T109 PolarHBondContact OD1-OG1 2.88Å; T109-E112 PolarHBondContact O-N 3Å; T109-V113 WeakPolarHBondContact O-CG2 3.05Å; T109-V113 PolarHBondContact O-N 2.84Å
110	E	46.9	Very low	54.1	Low	78 Å²	78	82.8 Å²	82.8	36%	0.364	49%	0.49	S	S	.	.	H	α-helix	trans	-69.1	-41.3	-175	-65.7	-167.6	156.5	0	0	112.6	D107 E108 E112 V113 I1009	D107-E110 HydrophobicContact CB-CG 4.39Å; D107-E110 PolarHBondContact O-N 2.94Å; E108-E110 VanDerWaalsContact C-N 3.32Å; E108-E110 PolarHBondContact O-N 3.32Å; E110-E112 VanDerWaalsContact C-N 3.31Å; E110-E112 PolarHBondContact O-N 3.15Å; E110-V113 PolarHBondContact O-N 2.92Å; E110-I1009 WeakPolarHBondContact OE1-CA 3.39Å
111	G	48.9	Very low	55.3	Low	51 Å²	51	80.4 Å²	80.4	53%	0.526	46%	0.464	S	S	.	.	H	α-helix	trans	-70.9	-25.2	175.8	0	0	0	0	0	113.6
112	E	55.5	Low	57.2	Low	117 Å²	117	80.1 Å²	80.1	55%	0.547	45%	0.447	S	S	.	.	H	α-helix	trans	-78.6	-23.6	178.3	-69.6	-105.3	100.2	0	0	113.1	K97 T109 E110 W115	K97-E112 IonicContact NZ-OE1 3.86Å; K97-E112 PolarHBondContact NZ-OE1 2.88Å; T109-E112 PolarHBondContact O-N 3Å; E110-E112 VanDerWaalsContact C-N 3.31Å; E110-E112 PolarHBondContact O-N 3.15Å; E112-W115 PolarHBondContact O-NE1 3.07Å
113	V	62	Low	59.7	Low	32 Å²	32	74.5 Å²	74.5	19%	0.194	43%	0.428	C	S	.	.	H	α-helix	trans	-96.2	-27.4	-173.7	168.6	0	0	0	0	113.5	T109 E110 W115 I116 Y1073	T109-V113 WeakPolarHBondContact O-CG2 3.05Å; T109-V113 PolarHBondContact O-N 2.84Å; E110-V113 PolarHBondContact O-N 2.92Å; V113-W115 VanDerWaalsContact C-N 3.31Å; V113-W115 PolarHBondContact O-N 2.81Å; V113-W115 VanDerWaalsContact O-N 3.11Å; V113-I116 HydrophobicContact CG1-CD1 4.41Å; V113-I116 HydrophobicContact CG2-CD1 4.5Å; V113-I116 VanDerWaalsContact O-CB 3.25Å; V113-I116 WeakPolarHBondContact O-CB 3.33Å; V113-I116 WeakPolarHBondContact O-CG1 3.32Å; V113-I116 PolarHBondContact O-N 2.9Å; V113-Y1073 HydrophobicContact CG1-CD1 3.6Å; V113-Y1073 HydrophobicContact CG1-CE1 4.13Å; V113-Y1073 HydrophobicContact CG1-CG 4.26Å; V113-Y1073 HydrophobicContact CG2-CD1 4.04Å; V113-Y1073 HydrophobicContact CG2-CE1 4.04Å; V113-Y1073 HydrophobicContact CG2-CG 4.39Å
114	S	61.8	Low	61.5	Low	48 Å²	48	66.9 Å²	66.9	34%	0.336	40%	0.397	S	S	.	.	H	α-helix	trans	-53.5	-37.3	-170.8	175.1	0	0	0	0	115.5	A93 I116	A93-S114 WeakPolarHBondContact CB-OG 3.43Å; S114-I116 PolarHBondContact O-N 2.7Å
115	W	76.2	Confident	63.8	Low	112 Å²	112	62.2 Å²	62.2	42%	0.424	36%	0.364	S	S	.	.	H	α-helix	trans	-68.5	-20.3	179.7	67.6	-85.7	0	0	0	113.7	L90 A93 E112 V113 E117 G118 V119	L90-W115 HydrophobicContact CD1-CB 4.09Å; A93-W115 HydrophobicContact CB-CB 4.14Å; E112-W115 PolarHBondContact O-NE1 3.07Å; V113-W115 VanDerWaalsContact C-N 3.31Å; V113-W115 PolarHBondContact O-N 2.81Å; V113-W115 VanDerWaalsContact O-N 3.11Å; W115-E117 VanDerWaalsContact C-N 3.34Å; W115-E117 PolarHBondContact O-N 3.33Å; W115-G118 PolarHBondContact O-N 2.8Å; W115-V119 HydrophobicContact CE3-CB 4.25Å; W115-V119 HydrophobicContact CE3-CG2 3.7Å; W115-V119 HydrophobicContact CZ3-CB 4.26Å; W115-V119 HydrophobicContact CZ3-CG1 4.44Å; W115-V119 HydrophobicContact CZ3-CG2 3.96Å; W115-V119 PolarHBondContact O-N 3.17Å
116	I	77.4	Confident	66.5	Low	39 Å²	39	60.6 Å²	60.6	20%	0.2	35%	0.348	C	S	.	.	H	α-helix	trans	-66.5	-35.4	-176.1	-59.2	176.6	0	0	0	110.8	V113 S114 V119 A120 A1074	V113-I116 HydrophobicContact CG1-CD1 4.41Å; V113-I116 HydrophobicContact CG2-CD1 4.5Å; V113-I116 VanDerWaalsContact O-CB 3.25Å; V113-I116 WeakPolarHBondContact O-CB 3.33Å; V113-I116 WeakPolarHBondContact O-CG1 3.32Å; V113-I116 PolarHBondContact O-N 2.9Å; S114-I116 PolarHBondContact O-N 2.7Å; I116-V119 PolarHBondContact O-N 3.04Å; I116-A120 WeakPolarHBondContact O-CB 3.47Å; I116-A120 PolarHBondContact O-N 2.81Å; I116-A1074 HydrophobicContact CG2-CB 4.38Å
117	E	69.5	Low	68.7	Low	68 Å²	68	61.6 Å²	61.6	32%	0.318	34%	0.343	S	S	.	.	H	α-helix	trans	-62.6	-46.5	178.2	-176.8	170.7	-150.4	0	0	111.5	W115 V119 A120 I121	W115-E117 VanDerWaalsContact C-N 3.34Å; W115-E117 PolarHBondContact O-N 3.33Å; E117-V119 PolarHBondContact O-N 2.91Å; E117-A120 PolarHBondContact O-N 3.4Å; E117-I121 HydrophobicContact CG-CD1 4.15Å; E117-I121 VanDerWaalsContact O-CG1 3.31Å; E117-I121 WeakPolarHBondContact O-CG1 3.14Å; E117-I121 PolarHBondContact O-N 2.78Å
118	G	75.5	Confident	70.5	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-62.3	-42.8	177.1	0	0	0	0	0	112.9	W115 L122	W115-G118 PolarHBondContact O-N 2.8Å; G118-L122 WeakPolarHBondContact O-CG 3.2Å; G118-L122 PolarHBondContact O-N 2.96Å
119	V	84.7	Confident	72.6	Confident	49 Å²	49	49.3 Å²	49.3	30%	0.297	28%	0.284	S	S	.	.	H	α-helix	trans	-68.9	-39.4	176.9	172	0	0	0	0	111.9	L90 W115 I116 E117 I121 L122 C123	L90-V119 HydrophobicContact CD1-CG2 4.14Å; W115-V119 HydrophobicContact CE3-CB 4.25Å; W115-V119 HydrophobicContact CE3-CG2 3.7Å; W115-V119 HydrophobicContact CZ3-CB 4.26Å; W115-V119 HydrophobicContact CZ3-CG1 4.44Å; W115-V119 HydrophobicContact CZ3-CG2 3.96Å; W115-V119 PolarHBondContact O-N 3.17Å; I116-V119 PolarHBondContact O-N 3.04Å; E117-V119 PolarHBondContact O-N 2.91Å; V119-I121 VanDerWaalsContact C-N 3.34Å; V119-I121 PolarHBondContact O-N 3.14Å; V119-L122 PolarHBondContact O-N 3.27Å; V119-C123 PolarHBondContact O-N 2.92Å; V119-C123 PolarHBondContact O-SG 3.34Å; V119-C123 VanDerWaalsContact O-SG 3.37Å
120	A	79.2	Confident	74.2	Confident	14 Å²	14	50.3 Å²	50.3	12%	0.116	29%	0.286	C	S	.	.	H	α-helix	trans	-64.4	-37.4	177.9	0	0	0	0	0	112.1	I116 E117 C123 A124 V927	I116-A120 WeakPolarHBondContact O-CB 3.47Å; I116-A120 PolarHBondContact O-N 2.81Å; E117-A120 PolarHBondContact O-N 3.4Å; A120-C123 PolarHBondContact O-N 3.26Å; A120-A124 WeakPolarHBondContact O-CB 3.3Å; A120-A124 PolarHBondContact O-N 3.34Å; A120-V927 HydrophobicContact CB-CG1 4.45Å; A120-V927 HydrophobicContact CB-CG2 3.58Å
121	I	77.1	Confident	75.6	Confident	3 Å²	3	48.3 Å²	48.3	2%	0.015	28%	0.279	C	S	.	.	H	α-helix	trans	-64.4	-44.5	172.6	-64.1	163.6	0	0	0	110.9	L82 A86 E117 V119 C123 A124 V125 A926 V927 L930	L82-I121 HydrophobicContact CD1-CG2 4.32Å; L82-I121 HydrophobicContact CD2-CG2 4.01Å; L82-I121 HydrophobicContact CG-CG2 3.78Å; A86-I121 HydrophobicContact CB-CB 3.96Å; A86-I121 HydrophobicContact CB-CG2 3.73Å; E117-I121 HydrophobicContact CG-CD1 4.15Å; E117-I121 VanDerWaalsContact O-CG1 3.31Å; E117-I121 WeakPolarHBondContact O-CG1 3.14Å; E117-I121 PolarHBondContact O-N 2.78Å; V119-I121 VanDerWaalsContact C-N 3.34Å; V119-I121 PolarHBondContact O-N 3.14Å; I121-C123 PolarHBondContact O-N 2.73Å; I121-A124 PolarHBondContact O-N 2.84Å; I121-V125 WeakPolarHBondContact O-CG2 3.46Å; I121-V125 PolarHBondContact O-N 3.18Å; I121-A926 HydrophobicContact CD1-CB 4.09Å; I121-A926 HydrophobicContact CG1-CB 4.28Å; I121-V927 HydrophobicContact CG1-CG2 4.37Å; I121-L930 HydrophobicContact CG2-CD1 4.37Å
122	L	84.3	Confident	76.6	Confident	58 Å²	58	47.4 Å²	47.4	30%	0.304	26%	0.263	S	S	.	.	H	α-helix	trans	-61.4	-44.7	176.4	-70.7	171.7	0	0	0	112	A86 G118 V119 A124 V125 V126	A86-L122 HydrophobicContact CB-CD2 3.97Å; A86-L122 HydrophobicContact CB-CG 3.91Å; G118-L122 WeakPolarHBondContact O-CG 3.2Å; G118-L122 PolarHBondContact O-N 2.96Å; V119-L122 PolarHBondContact O-N 3.27Å; L122-A124 VanDerWaalsContact C-N 3.34Å; L122-A124 PolarHBondContact O-N 3.22Å; L122-V125 PolarHBondContact O-N 3.02Å; L122-V126 WeakPolarHBondContact O-CG2 3.43Å; L122-V126 PolarHBondContact O-N 2.99Å
123	C	85.2	Confident	77.8	Confident	74 Å²	74	41.8 Å²	41.8	50%	0.5	24%	0.237	S	C	.	.	H	α-helix	trans	-61.5	-40.5	175	-71.1	0	0	0	0	112.1	V119 A120 I121 V126 V127	V119-C123 PolarHBondContact O-N 2.92Å; V119-C123 PolarHBondContact O-SG 3.34Å; V119-C123 VanDerWaalsContact O-SG 3.37Å; A120-C123 PolarHBondContact O-N 3.26Å; I121-C123 PolarHBondContact O-N 2.73Å; C123-V126 PolarHBondContact O-N 2.84Å; C123-V127 WeakPolarHBondContact O-CG2 3.45Å; C123-V127 PolarHBondContact O-N 3Å
124	A	77.7	Confident	78.6	Confident	20 Å²	20	42.2 Å²	42.2	17%	0.165	24%	0.24	C	C	.	.	H	α-helix	trans	-63.7	-42	175.8	0	0	0	0	0	112.2	A120 I121 L122 V126 V127 V128 L930	A120-A124 WeakPolarHBondContact O-CB 3.3Å; A120-A124 PolarHBondContact O-N 3.34Å; I121-A124 PolarHBondContact O-N 2.84Å; L122-A124 VanDerWaalsContact C-N 3.34Å; L122-A124 PolarHBondContact O-N 3.22Å; A124-V126 PolarHBondContact O-N 2.91Å; A124-V127 PolarHBondContact O-N 3.15Å; A124-V128 WeakPolarHBondContact O-CG2 3.39Å; A124-V128 PolarHBondContact O-N 2.86Å; A124-L930 HydrophobicContact CB-CB 4.33Å; A124-L930 HydrophobicContact CB-CD1 3.76Å
125	V	81.8	Confident	79	Confident	5 Å²	5	40.8 Å²	40.8	3%	0.03	23%	0.228	C	C	.	.	H	α-helix	trans	-59.2	-46.2	173.1	171.8	0	0	0	0	111.1	L82 M83 I121 L122 V127 V128 V129	L82-V125 HydrophobicContact CD2-CG2 3.73Å; L82-V125 HydrophobicContact CG-CG2 4.42Å; M83-V125 HydrophobicContact CG-CG1 3.92Å; M83-V125 HydrophobicContact CG-CG2 4.36Å; M83-V125 HydrophobicContact SD-CG1 4.08Å; I121-V125 WeakPolarHBondContact O-CG2 3.46Å; I121-V125 PolarHBondContact O-N 3.18Å; L122-V125 PolarHBondContact O-N 3.02Å; V125-V127 VanDerWaalsContact C-N 3.32Å; V125-V127 PolarHBondContact O-N 2.91Å; V125-V128 PolarHBondContact O-N 3.47Å; V125-V129 HydrophobicContact CG1-CG2 4.09Å; V125-V129 WeakPolarHBondContact O-CB 3.48Å; V125-V129 VanDerWaalsContact O-CG2 3.3Å; V125-V129 WeakPolarHBondContact O-CG2 3.23Å; V125-V129 PolarHBondContact O-N 3.37Å
126	V	86.6	Confident	78.6	Confident	97 Å²	97	37.8 Å²	37.8	59%	0.588	22%	0.221	S	C	*	.	H	α-helix	trans	-61.1	-40.1	178.7	171.6	0	0	0	0	111.7	L122 C123 A124 L130	L122-V126 WeakPolarHBondContact O-CG2 3.43Å; L122-V126 PolarHBondContact O-N 2.99Å; C123-V126 PolarHBondContact O-N 2.84Å; A124-V126 PolarHBondContact O-N 2.91Å; V126-L130 VanDerWaalsContact O-CB 3.25Å; V126-L130 WeakPolarHBondContact O-CB 3.14Å; V126-L130 PolarHBondContact O-N 2.9Å
127	V	82.6	Confident	78.7	Confident	75 Å²	75	40.8 Å²	40.8	46%	0.455	23%	0.23	S	C	.	.	H	α-helix	trans	-65.2	-47.2	175.2	171.2	0	0	0	0	111.4	C123 A124 V125 V129 L130 V131 L934	C123-V127 WeakPolarHBondContact O-CG2 3.45Å; C123-V127 PolarHBondContact O-N 3Å; A124-V127 PolarHBondContact O-N 3.15Å; V125-V127 VanDerWaalsContact C-N 3.32Å; V125-V127 PolarHBondContact O-N 2.91Å; V127-V129 PolarHBondContact O-N 3.48Å; V127-L130 PolarHBondContact O-N 3.2Å; V127-V131 HydrophobicContact CG1-CG2 4.49Å; V127-V131 WeakPolarHBondContact O-CB 3.39Å; V127-V131 VanDerWaalsContact O-CG2 3.27Å; V127-V131 WeakPolarHBondContact O-CG2 3.3Å; V127-V131 PolarHBondContact O-N 2.91Å; V127-L934 HydrophobicContact CG1-CD2 4.2Å
128	V	76.5	Confident	78.7	Confident	20 Å²	20	41.7 Å²	41.7	12%	0.121	23%	0.234	C	C	.	.	H	α-helix	trans	-59.2	-49.1	177.5	170.1	0	0	0	0	110.8	A124 V125 L130 V131 T132	A124-V128 WeakPolarHBondContact O-CG2 3.39Å; A124-V128 PolarHBondContact O-N 2.86Å; V125-V128 PolarHBondContact O-N 3.47Å; V128-L130 PolarHBondContact O-N 2.87Å; V128-V131 PolarHBondContact O-N 3.06Å; V128-T132 HydrophobicContact CG1-CG2 4.45Å; V128-T132 WeakPolarHBondContact O-CG2 3.16Å; V128-T132 PolarHBondContact O-N 3.08Å; V128-T132 PolarHBondContact O-OG1 3.03Å
129	V	83.4	Confident	78.3	Confident	6 Å²	6	44.6 Å²	44.6	4%	0.036	25%	0.247	C	C	.	.	H	α-helix	trans	-61.8	-41.3	178.9	164.5	0	0	0	0	112.4	M70 A73 L74 L79 V125 V127 V131 T132 A133	M70-V129 HydrophobicContact CG-CG1 3.6Å; A73-V129 HydrophobicContact CB-CG1 4.35Å; L74-V129 HydrophobicContact CD1-CG1 4.38Å; L74-V129 HydrophobicContact CD2-CG1 4.24Å; L74-V129 HydrophobicContact CD2-CG2 3.84Å; L74-V129 HydrophobicContact CG-CG1 3.89Å; L74-V129 HydrophobicContact CG-CG2 4.17Å; L79-V129 HydrophobicContact CD1-CG2 3.97Å; V125-V129 HydrophobicContact CG1-CG2 4.09Å; V125-V129 WeakPolarHBondContact O-CB 3.48Å; V125-V129 VanDerWaalsContact O-CG2 3.3Å; V125-V129 WeakPolarHBondContact O-CG2 3.23Å; V125-V129 PolarHBondContact O-N 3.37Å; V127-V129 PolarHBondContact O-N 3.48Å; V129-V131 VanDerWaalsContact C-N 3.34Å; V129-T132 WeakPolarHBondContact CA-OG1 3.15Å; V129-T132 PolarHBondContact O-OG1 3.46Å; V129-A133 WeakPolarHBondContact O-CB 3.22Å; V129-A133 PolarHBondContact O-N 2.98Å
130	L	85.7	Confident	77.5	Confident	90 Å²	90	43.7 Å²	43.7	47%	0.471	24%	0.239	S	C	.	.	H	α-helix	trans	-67.1	-38	177.3	-176.8	147.4	0	0	0	111.4	V126 V127 V128 T134	V126-L130 VanDerWaalsContact O-CB 3.25Å; V126-L130 WeakPolarHBondContact O-CB 3.14Å; V126-L130 PolarHBondContact O-N 2.9Å; V127-L130 PolarHBondContact O-N 3.2Å; V128-L130 PolarHBondContact O-N 2.87Å; L130-T134 VanDerWaalsContact O-CB 3.24Å; L130-T134 WeakPolarHBondContact O-CB 3.44Å; L130-T134 PolarHBondContact O-N 3.46Å; L130-T134 PolarHBondContact O-OG1 2.82Å
131	V	75.2	Confident	77.2	Confident	36 Å²	36	51.1 Å²	51.1	22%	0.218	26%	0.264	C	S	.	.	H	α-helix	trans	-69.3	-46.1	177.1	168.4	0	0	0	0	111.3	V127 V128 V129 T134 N135 L934 T938	V127-V131 HydrophobicContact CG1-CG2 4.49Å; V127-V131 WeakPolarHBondContact O-CB 3.39Å; V127-V131 VanDerWaalsContact O-CG2 3.27Å; V127-V131 WeakPolarHBondContact O-CG2 3.3Å; V127-V131 PolarHBondContact O-N 2.91Å; V128-V131 PolarHBondContact O-N 3.06Å; V129-V131 VanDerWaalsContact C-N 3.34Å; V131-T134 PolarHBondContact O-N 2.6Å; V131-N135 VanDerWaalsContact O-CG 3.3Å; V131-N135 PolarHBondContact O-N 3.14Å; V131-N135 PolarHBondContact O-ND2 2.98Å; V131-L934 HydrophobicContact CG1-CD1 4.25Å; V131-T938 HydrophobicContact CG1-CG2 3.58Å
132	T	70.2	Confident	76.6	Confident	32 Å²	32	53.4 Å²	53.4	20%	0.196	28%	0.275	C	S	.	.	H	α-helix	trans	-64.4	-46.3	177.3	54.2	0	0	0	0	111.6	V128 V129 T134 N135 D136	V128-T132 HydrophobicContact CG1-CG2 4.45Å; V128-T132 WeakPolarHBondContact O-CG2 3.16Å; V128-T132 PolarHBondContact O-N 3.08Å; V128-T132 PolarHBondContact O-OG1 3.03Å; V129-T132 WeakPolarHBondContact CA-OG1 3.15Å; V129-T132 PolarHBondContact O-OG1 3.46Å; T132-T134 VanDerWaalsContact C-N 3.29Å; T132-T134 PolarHBondContact O-N 2.86Å; T132-N135 PolarHBondContact O-N 2.98Å; T132-N135 VanDerWaalsContact O-N 3.1Å; T132-D136 PolarHBondContact O-N 2.79Å
133	A	81.6	Confident	75.7	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-60.8	-35.9	175.1	0	0	0	0	0	112.8	F66 L69 M70 V129 W137	F66-A133 HydrophobicContact CE2-CB 4.22Å; F66-A133 HydrophobicContact CZ-CB 4.3Å; L69-A133 HydrophobicContact CB-CB 4.45Å; M70-A133 HydrophobicContact CB-CB 4.04Å; M70-A133 HydrophobicContact CG-CB 4.49Å; V129-A133 WeakPolarHBondContact O-CB 3.22Å; V129-A133 PolarHBondContact O-N 2.98Å; A133-W137 VanDerWaalsContact O-CB 3.26Å; A133-W137 WeakPolarHBondContact O-CB 3.14Å; A133-W137 PolarHBondContact O-N 3.36Å
134	T	79.2	Confident	74.9	Confident	40 Å²	40	53.5 Å²	53.5	25%	0.245	26%	0.263	C	S	.	.	H	α-helix	trans	-65.5	-41.9	173.5	-63.4	0	0	0	0	111.7	L130 V131 T132 W137 Q138	L130-T134 VanDerWaalsContact O-CB 3.24Å; L130-T134 WeakPolarHBondContact O-CB 3.44Å; L130-T134 PolarHBondContact O-N 3.46Å; L130-T134 PolarHBondContact O-OG1 2.82Å; V131-T134 PolarHBondContact O-N 2.6Å; T132-T134 VanDerWaalsContact C-N 3.29Å; T132-T134 PolarHBondContact O-N 2.86Å; T134-W137 PolarHBondContact O-N 3.16Å; T134-Q138 WeakPolarHBondContact O-CG 3.14Å; T134-Q138 PolarHBondContact O-N 3.21Å
135	N	68.6	Low	74.4	Confident	18 Å²	18	54.1 Å²	54.1	10%	0.096	27%	0.271	C	S	.	.	H	α-helix	trans	-68	-42.9	177.8	-69.3	-28.3	0	0	0	111.8	V131 T132 W137 Q138 K139 L459 T938	V131-N135 VanDerWaalsContact O-CG 3.3Å; V131-N135 PolarHBondContact O-N 3.14Å; V131-N135 PolarHBondContact O-ND2 2.98Å; T132-N135 PolarHBondContact O-N 2.98Å; T132-N135 VanDerWaalsContact O-N 3.1Å; N135-W137 PolarHBondContact O-N 2.98Å; N135-Q138 PolarHBondContact O-N 2.83Å; N135-K139 WeakPolarHBondContact O-CB 3.41Å; N135-K139 PolarHBondContact O-N 3.28Å; N135-L459 HydrophobicContact CB-CD1 4.1Å; N135-L459 HydrophobicContact CB-CD2 4.09Å; N135-T938 VanDerWaalsContact ND2-CG2 3.31Å; N135-T938 WeakPolarHBondContact ND2-CG2 3.48Å
136	D	69.1	Low	73.5	Confident	50 Å²	50	54.7 Å²	54.7	27%	0.267	27%	0.274	S	S	.	.	H	α-helix	trans	-65.7	-35.5	174.9	-89.1	-45.2	0	0	0	112.7	L69 T132 K139 E140	L69-D136 HydrophobicContact CD1-CB 4.41Å; L69-D136 HydrophobicContact CD2-CB 4.32Å; T132-D136 PolarHBondContact O-N 2.79Å; D136-K139 WeakPolarHBondContact O-CB 3.41Å; D136-K139 PolarHBondContact O-N 2.85Å; D136-K139 VanDerWaalsContact OD1-CD 3.27Å; D136-K139 WeakPolarHBondContact OD1-CD 3.38Å; D136-K139 WeakPolarHBondContact OD1-CE 3.39Å; D136-K139 IonicContact OD1-NZ 3.89Å; D136-K139 PolarHBondContact OD1-NZ 2.99Å; D136-E140 PolarHBondContact O-N 2.89Å
137	W	79	Confident	72.5	Confident	101 Å²	101	54 Å²	54	38%	0.383	26%	0.264	S	S	.	.	H	α-helix	trans	-68	-41.3	173.3	-179.3	79.7	0	0	0	112.4	F66 L69 A133 T134 N135 K139 E140 R141	F66-W137 HydrophobicContact CD2-CB 4.06Å; F66-W137 HydrophobicContact CD2-CG 4.17Å; L69-W137 HydrophobicContact CD1-CB 3.83Å; A133-W137 VanDerWaalsContact O-CB 3.26Å; A133-W137 WeakPolarHBondContact O-CB 3.14Å; A133-W137 PolarHBondContact O-N 3.36Å; T134-W137 PolarHBondContact O-N 3.16Å; N135-W137 PolarHBondContact O-N 2.98Å; W137-K139 VanDerWaalsContact C-N 3.27Å; W137-K139 PolarHBondContact O-N 3.01Å; W137-E140 PolarHBondContact O-N 3.02Å; W137-R141 VanDerWaalsContact O-CB 3.3Å; W137-R141 WeakPolarHBondContact O-CB 3.3Å; W137-R141 PolarHBondContact O-N 3.3Å
138	Q	70.2	Confident	71.9	Confident	87 Å²	87	55.1 Å²	55.1	41%	0.407	27%	0.268	S	S	.	.	H	α-helix	trans	-62.7	-35.1	173.6	-76.3	-174.4	43.2	0	0	112.3	T134 N135 Q142	T134-Q138 WeakPolarHBondContact O-CG 3.14Å; T134-Q138 PolarHBondContact O-N 3.21Å; N135-Q138 PolarHBondContact O-N 2.83Å; Q138-Q142 WeakPolarHBondContact O-CB 3.2Å; Q138-Q142 VanDerWaalsContact O-CG 3.25Å; Q138-Q142 WeakPolarHBondContact O-CG 3.3Å; Q138-Q142 PolarHBondContact O-N 3.31Å; Q138-Q142 PolarHBondContact O-NE2 3.25Å
139	K	65.8	Low	71.3	Confident	62 Å²	62	59 Å²	59	27%	0.27	28%	0.283	S	S	.	.	H	α-helix	trans	-65.8	-54.3	174.2	157.2	-171.9	157.8	-169.5	0	111.4	N135 D136 W137 R141 Q142 F143 T462	N135-K139 WeakPolarHBondContact O-CB 3.41Å; N135-K139 PolarHBondContact O-N 3.28Å; D136-K139 WeakPolarHBondContact O-CB 3.41Å; D136-K139 PolarHBondContact O-N 2.85Å; D136-K139 VanDerWaalsContact OD1-CD 3.27Å; D136-K139 WeakPolarHBondContact OD1-CD 3.38Å; D136-K139 WeakPolarHBondContact OD1-CE 3.39Å; D136-K139 IonicContact OD1-NZ 3.89Å; D136-K139 PolarHBondContact OD1-NZ 2.99Å; W137-K139 VanDerWaalsContact C-N 3.27Å; W137-K139 PolarHBondContact O-N 3.01Å; K139-R141 VanDerWaalsContact C-N 3.27Å; K139-R141 PolarHBondContact O-N 3.42Å; K139-Q142 WeakPolarHBondContact O-CA 3.49Å; K139-Q142 WeakPolarHBondContact O-CB 3.38Å; K139-Q142 PolarHBondContact O-N 3.15Å; K139-F143 HydrophobicContact CG-CD2 3.95Å; K139-F143 HydrophobicContact CG-CE2 3.68Å; K139-F143 VanDerWaalsContact O-CD2 3.27Å; K139-F143 WeakPolarHBondContact O-CD2 3.35Å; K139-F143 PolarHBondContact O-N 3.47Å; K139-T462 HydrophobicContact CD-CG2 3.58Å; K139-T462 HydrophobicContact CG-CG2 3.97Å
140	E	68.3	Low	70.4	Confident	29 Å²	29	59.8 Å²	59.8	14%	0.136	29%	0.287	C	S	.	.	H	α-helix	trans	-55.6	-42.6	176.1	178.8	64.7	-169.3	0	0	111.6	D136 W137 Q142 F143 R144	D136-E140 PolarHBondContact O-N 2.89Å; W137-E140 PolarHBondContact O-N 3.02Å; E140-Q142 VanDerWaalsContact C-N 3.33Å; E140-Q142 PolarHBondContact O-N 2.95Å; E140-F143 PolarHBondContact O-N 3.17Å; E140-R144 PolarHBondContact O-N 2.94Å; E140-R144 VanDerWaalsContact O-N 3.08Å; E140-R144 IonicContact OE1-CZ 3.63Å; E140-R144 VanDerWaalsContact OE1-CZ 3.24Å; E140-R144 IonicContact OE1-NE 2.86Å; E140-R144 PolarHBondContact OE1-NE 3.22Å; E140-R144 IonicContact OE1-NH2 3.22Å; E140-R144 PolarHBondContact OE1-NH2 2.89Å
141	R	72.4	Confident	69.3	Low	170 Å²	170	59.9 Å²	59.9	64%	0.642	29%	0.285	S	S	*	.	H	α-helix	trans	-65.4	-32.6	175.7	-173.5	176.9	178.6	-169.8	0.6	113.3	W137 K139 G145	W137-R141 VanDerWaalsContact O-CB 3.3Å; W137-R141 WeakPolarHBondContact O-CB 3.3Å; W137-R141 PolarHBondContact O-N 3.3Å; K139-R141 VanDerWaalsContact C-N 3.27Å; K139-R141 PolarHBondContact O-N 3.42Å; R141-G145 PolarHBondContact O-N 2.92Å
142	Q	65.7	Low	68.8	Low	52 Å²	52	61.3 Å²	61.3	24%	0.243	30%	0.296	C	S	.	.	H	α-helix	trans	-74.3	-36	174.6	-78.8	176.6	74.2	0	0	112.3	Q138 K139 E140 L146	Q138-Q142 WeakPolarHBondContact O-CB 3.2Å; Q138-Q142 VanDerWaalsContact O-CG 3.25Å; Q138-Q142 WeakPolarHBondContact O-CG 3.3Å; Q138-Q142 PolarHBondContact O-N 3.31Å; Q138-Q142 PolarHBondContact O-NE2 3.25Å; K139-Q142 WeakPolarHBondContact O-CA 3.49Å; K139-Q142 WeakPolarHBondContact O-CB 3.38Å; K139-Q142 PolarHBondContact O-N 3.15Å; E140-Q142 VanDerWaalsContact C-N 3.33Å; E140-Q142 PolarHBondContact O-N 2.95Å; Q142-L146 WeakPolarHBondContact O-CG 3.34Å; Q142-L146 PolarHBondContact O-N 2.85Å
143	F	65.1	Low	68.6	Low	73 Å²	73	64.2 Å²	64.2	32%	0.32	31%	0.311	S	S	.	.	H	α-helix	trans	-60.4	-49.9	172	-84.2	-72.1	0	0	0	112	K139 E140 G145 L146 Q147 L482	K139-F143 HydrophobicContact CG-CD2 3.95Å; K139-F143 HydrophobicContact CG-CE2 3.68Å; K139-F143 VanDerWaalsContact O-CD2 3.27Å; K139-F143 WeakPolarHBondContact O-CD2 3.35Å; K139-F143 PolarHBondContact O-N 3.47Å; E140-F143 PolarHBondContact O-N 3.17Å; F143-G145 PolarHBondContact O-N 2.79Å; F143-L146 WeakPolarHBondContact O-CB 3.36Å; F143-L146 PolarHBondContact O-N 2.75Å; F143-Q147 PolarHBondContact O-N 3.32Å; F143-L482 HydrophobicContact CE1-CD1 3.42Å; F143-L482 VanDerWaalsContact CE1-CD1 3.42Å; F143-L482 HydrophobicContact CE1-CD2 4.49Å; F143-L482 HydrophobicContact CE1-CG 4.02Å; F143-L482 HydrophobicContact CZ-CD1 3.44Å; F143-L482 VanDerWaalsContact CZ-CD1 3.44Å; F143-L482 HydrophobicContact CZ-CG 4.49Å
144	R	67.8	Low	68.1	Low	60 Å²	60	66.4 Å²	66.4	23%	0.226	32%	0.321	C	S	.	.	H	α-helix	trans	-61.8	-45.6	-179.4	-68.2	-177.6	-176.8	-100.7	-10.4	112	T61 E140 L146 Q147 D148	T61-R144 PolarHBondContact O-NH1 2.81Å; T61-R144 PolarHBondContact O-NH2 2.91Å; E140-R144 PolarHBondContact O-N 2.94Å; E140-R144 VanDerWaalsContact O-N 3.08Å; E140-R144 IonicContact OE1-CZ 3.63Å; E140-R144 VanDerWaalsContact OE1-CZ 3.24Å; E140-R144 IonicContact OE1-NE 2.86Å; E140-R144 PolarHBondContact OE1-NE 3.22Å; E140-R144 IonicContact OE1-NH2 3.22Å; E140-R144 PolarHBondContact OE1-NH2 2.89Å; R144-L146 PolarHBondContact O-N 3.28Å; R144-Q147 PolarHBondContact O-N 2.94Å; R144-D148 WeakPolarHBondContact O-CB 3.44Å; R144-D148 PolarHBondContact O-N 2.85Å
145	G	68.4	Low	68.2	Low	33 Å²	33	69.6 Å²	69.6	34%	0.34	33%	0.331	S	S	.	.	H	α-helix	trans	-65.6	0.2	173.5	0	0	0	0	0	116.5	R141 F143	R141-G145 PolarHBondContact O-N 2.92Å; F143-G145 PolarHBondContact O-N 2.79Å
146	L	63.1	Low	69	Low	17 Å²	17	69.1 Å²	69.1	9%	0.089	33%	0.328	C	S	.	.	H	α-helix	trans	-101.6	-45.5	164.1	-67.8	164.8	0	0	0	110.7	Q142 F143 R144 K149 I150 V469 M473	Q142-L146 WeakPolarHBondContact O-CG 3.34Å; Q142-L146 PolarHBondContact O-N 2.85Å; F143-L146 WeakPolarHBondContact O-CB 3.36Å; F143-L146 PolarHBondContact O-N 2.75Å; R144-L146 PolarHBondContact O-N 3.28Å; L146-K149 WeakPolarHBondContact O-CB 3.31Å; L146-K149 PolarHBondContact O-N 2.91Å; L146-K149 VanDerWaalsContact O-N 3.1Å; L146-I150 WeakPolarHBondContact O-CG1 3.28Å; L146-I150 PolarHBondContact O-N 2.96Å; L146-V469 HydrophobicContact CD1-CG1 3.73Å; L146-V469 HydrophobicContact CD2-CG1 4.01Å; L146-M473 HydrophobicContact CD2-CE 4.49Å; L146-M473 HydrophobicContact CD2-SD 4.02Å
147	Q	65.5	Low	70	Confident	82 Å²	82	67.9 Å²	67.9	38%	0.383	32%	0.324	S	S	.	.	H	α-helix	trans	-57.6	-49.9	176.7	-173.7	64	23.6	0	0	112.1	F143 R144 K149 I150 E151	F143-Q147 PolarHBondContact O-N 3.32Å; R144-Q147 PolarHBondContact O-N 2.94Å; Q147-K149 PolarHBondContact O-N 2.85Å; Q147-I150 PolarHBondContact O-N 3.04Å; Q147-E151 WeakPolarHBondContact CG-OE1 3.39Å; Q147-E151 PolarHBondContact NE2-OE1 3.19Å; Q147-E151 PolarHBondContact O-N 3.32Å
148	D	68.3	Low	70.6	Confident	100 Å²	100	63 Å²	63	54%	0.535	31%	0.306	S	S	.	.	H	α-helix	trans	-52.3	-26.7	176.6	-54.6	-22.1	0	0	0	112.1	R144 S152	R144-D148 WeakPolarHBondContact O-CB 3.44Å; R144-D148 PolarHBondContact O-N 2.85Å; D148-S152 WeakPolarHBondContact O-CB 3.25Å; D148-S152 PolarHBondContact O-N 3.48Å
149	K	64.9	Low	71.6	Confident	101 Å²	101	59.4 Å²	59.4	44%	0.439	29%	0.289	S	S	.	.	H	α-helix	trans	-90.3	-38.3	-179.4	-67.5	-174.9	166.1	-147.2	0	113.6	L146 Q147 E151 S152 M473	L146-K149 WeakPolarHBondContact O-CB 3.31Å; L146-K149 PolarHBondContact O-N 2.91Å; L146-K149 VanDerWaalsContact O-N 3.1Å; Q147-K149 PolarHBondContact O-N 2.85Å; K149-E151 VanDerWaalsContact C-N 3.27Å; K149-S152 WeakPolarHBondContact CA-OG 3.34Å; K149-S152 PolarHBondContact O-N 2.99Å; K149-S152 PolarHBondContact O-OG 3.38Å; K149-M473 HydrophobicContact CD-CE 4.36Å; K149-M473 HydrophobicContact CD-SD 3.45Å; K149-M473 WeakPolarHBondContact CD-SD 3.48Å
150	I	63.6	Low	72.7	Confident	22 Å²	22	57.4 Å²	57.4	11%	0.113	28%	0.28	C	S	.	.	H	α-helix	trans	-59.6	-45.2	172.7	-65.6	164.2	0	0	0	108.8	L146 Q147 S152 D153 L478	L146-I150 WeakPolarHBondContact O-CG1 3.28Å; L146-I150 PolarHBondContact O-N 2.96Å; Q147-I150 PolarHBondContact O-N 3.04Å; I150-S152 VanDerWaalsContact C-N 3.28Å; I150-S152 PolarHBondContact O-N 2.9Å; I150-D153 PolarHBondContact O-N 2.74Å; I150-L478 HydrophobicContact CG1-CD1 3.89Å; I150-L478 HydrophobicContact CG1-CD2 4.16Å; I150-L478 HydrophobicContact CG1-CG 4.18Å
151	E	63.9	Low	73.6	Confident	93 Å²	93	60 Å²	60	44%	0.435	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-65.3	-28.5	176.6	-68	175.3	-166.1	0	0	113.1	Q147 K149 D153	Q147-E151 WeakPolarHBondContact CG-OE1 3.39Å; Q147-E151 PolarHBondContact NE2-OE1 3.19Å; Q147-E151 PolarHBondContact O-N 3.32Å; K149-E151 VanDerWaalsContact C-N 3.27Å; E151-D153 VanDerWaalsContact C-N 3.34Å; E151-D153 PolarHBondContact O-N 3.47Å
152	S	63.4	Low	74	Confident	66 Å²	66	53.6 Å²	53.6	46%	0.462	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-76.6	-11.1	-177.8	74.2	0	0	0	0	115.9	D148 K149 I150 L168	D148-S152 WeakPolarHBondContact O-CB 3.25Å; D148-S152 PolarHBondContact O-N 3.48Å; K149-S152 WeakPolarHBondContact CA-OG 3.34Å; K149-S152 PolarHBondContact O-N 2.99Å; K149-S152 PolarHBondContact O-OG 3.38Å; I150-S152 VanDerWaalsContact C-N 3.28Å; I150-S152 PolarHBondContact O-N 2.9Å; S152-L168 WeakPolarHBondContact O-CD2 3.4Å
153	D	66.9	Low	74.9	Confident	92 Å²	92	56.7 Å²	56.7	49%	0.492	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-97.3	-13.7	-174.7	-149.9	34	0	0	0	113	I150 E151 K155	I150-D153 PolarHBondContact O-N 2.74Å; E151-D153 VanDerWaalsContact C-N 3.34Å; E151-D153 PolarHBondContact O-N 3.47Å; D153-K155 PolarHBondContact O-N 2.86Å
154	H	71.5	Confident	76	Confident	47 Å²	47	58.7 Å²	58.7	22%	0.218	31%	0.312	C	S	.	.			trans	-78.4	118.9	-178.1	-73.3	-151.3	0	0	0	111.3	V169	H154-V169 HydrophobicContact CB-CB 4.34Å; H154-V169 HydrophobicContact CB-CG2 3.92Å; H154-V169 PolarHBondContact O-N 2.68Å
155	K	81.5	Confident	76.8	Confident	106 Å²	106	58.4 Å²	58.4	46%	0.461	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	153.2	-179.7	-62.4	176.1	-169.7	168.2	0	112.1	D153 E166 V167 L168	D153-K155 PolarHBondContact O-N 2.86Å; K155-E166 HydrophobicContact CD-CB 4.24Å; K155-E166 IonicContact NZ-OE2 3.33Å; K155-V167 CarbonylContact C-O 3.57Å; K155-V167 WeakPolarHBondContact CA-O 3.31Å; K155-L168 HydrophobicContact CG-CD2 4.15Å
156	M	84.7	Confident	77.6	Confident	8 Å²	8	62.9 Å²	62.9	4%	0.039	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	144	172.2	-166.8	60	177.8	0	0	111	V158 E166 V167 I172 C178 L179 V180 D184 P187	M156-V158 PolarHBondContact O-N 2.89Å; M156-E166 WeakPolarHBondContact O-CA 3.28Å; M156-V167 PolarHBondContact N-O 3.05Å; M156-V167 PolarHBondContact O-N 2.92Å; M156-I172 HydrophobicContact CB-CD1 3.82Å; M156-I172 HydrophobicContact CG-CD1 4.36Å; M156-C178 HydrophobicContact CE-CB 4.08Å; M156-C178 HydrophobicContact CG-CB 4.28Å; M156-L179 WeakPolarHBondContact CE-O 3.3Å; M156-V180 HydrophobicContact CE-CB 4.4Å; M156-V180 HydrophobicContact CE-CG1 3.68Å; M156-D184 HydrophobicContact CE-CB 4.49Å; M156-P187 HydrophobicContact CB-CG 4.35Å; M156-P187 HydrophobicContact CG-CG 4.11Å
157	S	88.9	Confident	78.8	Confident	24 Å²	24	63 Å²	63	17%	0.168	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	117.8	171.7	-55.3	0	0	0	0	110.3	L179	S157-L179 PolarHBondContact O-N 3.04Å
158	V	91.9	Very high	79.8	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	149	175.8	-61.4	0	0	0	0	111.6	M156 R160 T165 V167 I177	M156-V158 PolarHBondContact O-N 2.89Å; V158-R160 HydrophobicContact CG2-CG 4.07Å; V158-T165 PolarHBondContact N-O 3.27Å; V158-T165 PolarHBondContact O-N 2.61Å; V158-T165 PolarHBondContact O-OG1 2.67Å; V158-V167 HydrophobicContact CB-CG2 4.33Å; V158-V167 HydrophobicContact CG1-CG2 3.77Å; V158-V167 HydrophobicContact CG2-CB 4.22Å; V158-V167 HydrophobicContact CG2-CG1 3.58Å; V158-V167 HydrophobicContact CG2-CG2 3.57Å; V158-I177 CarbonylContact C-O 3.58Å; V158-I177 VanDerWaalsContact CA-O 3.29Å; V158-I177 WeakPolarHBondContact CA-O 3.25Å
159	L	91.2	Very high	80.6	Confident	10 Å²	10	59.6 Å²	59.6	5%	0.052	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	118.4	171.9	-178.1	65.4	0	0	0	108.7	G40 G162 D163 I164 I177	G40-L159 WeakPolarHBondContact CA-O 3.32Å; L159-G162 WeakPolarHBondContact CD1-O 3.43Å; L159-D163 WeakPolarHBondContact CA-O 3.35Å; L159-I164 HydrophobicContact CD1-CG1 4.31Å; L159-I177 HydrophobicContact CB-CB 4.23Å; L159-I177 HydrophobicContact CB-CG2 4.37Å; L159-I177 HydrophobicContact CD2-CG2 4.48Å; L159-I177 PolarHBondContact N-O 2.95Å
160	R	90	Very high	81.6	Confident	21 Å²	21	55.9 Å²	55.9	8%	0.079	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	136.5	178.3	-71.8	-179.2	176.9	169	1.9	110.5	Q39 L41 V158 G162 D163 D171 D176	Q39-R160 CarbonylContact O-C 3.44Å; L41-R160 CarbonylContact O-C 3.55Å; L41-R160 WeakPolarHBondContact O-CA 3.44Å; L41-R160 WeakPolarHBondContact O-CB 3.42Å; V158-R160 HydrophobicContact CG2-CG 4.07Å; R160-G162 PolarHBondContact O-N 2.55Å; R160-D163 PolarHBondContact N-O 3.24Å; R160-D163 PolarHBondContact O-N 3.11Å; R160-D171 PolarHBondContact NH2-O 2.89Å; R160-D176 IonicContact CZ-OD1 2.7Å; R160-D176 IonicContact CZ-OD2 2.84Å; R160-D176 IonicContact NE-OD1 3.61Å; R160-D176 PolarHBondContact NE-OD1 2.86Å; R160-D176 IonicContact NE-OD2 3.3Å; R160-D176 IonicContact NH2-OD1 3.95Å; R160-D176 PolarHBondContact NH2-OD1 3.03Å; R160-D176 IonicContact NH2-OD2 3.34Å; R160-D176 PolarHBondContact NH2-OD2 3.29Å
161	D	85.8	Confident	82.8	Confident	84 Å²	84	57.5 Å²	57.5	45%	0.449	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.1	18.4	-175.5	-64.7	-71.1	0	0	0	115.8	Q39 L41 S42 S43	Q39-D161 PolarHBondContact O-N 3.37Å; L41-D161 PolarHBondContact O-N 3.12Å; S42-D161 WeakPolarHBondContact CA-OD1 3.33Å; S42-D161 WeakPolarHBondContact CB-OD1 3.23Å; S42-D161 PolarHBondContact OG-OD1 2.99Å; S43-D161 VanDerWaalsContact CB-OD2 3.23Å; S43-D161 WeakPolarHBondContact CB-OD2 3.42Å; S43-D161 PolarHBondContact N-OD2 3.44Å; S43-D161 PolarHBondContact OG-OD2 2.89Å
162	G	81.5	Confident	84	Confident	34 Å²	34	53 Å²	53	35%	0.351	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	103	-20.8	-174.5	0	0	0	0	0	115.1	Q39 L159 R160	Q39-G162 PolarHBondContact O-N 3.14Å; L159-G162 WeakPolarHBondContact CD1-O 3.43Å; R160-G162 PolarHBondContact O-N 2.55Å
163	D	85.2	Confident	85.5	Confident	118 Å²	118	49.9 Å²	49.9	63%	0.631	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97	149.1	-176.4	-75.9	-41.2	0	0	0	112.7	L159 R160 T165	L159-D163 WeakPolarHBondContact CA-O 3.35Å; R160-D163 PolarHBondContact N-O 3.24Å; R160-D163 PolarHBondContact O-N 3.11Å; D163-T165 HydrophobicContact CB-CG2 4.43Å
164	I	87.1	Confident	86.7	Confident	115 Å²	115	45.5 Å²	45.5	59%	0.59	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-87.9	114.7	173	-56.6	174.6	0	0	0	107.9	L159 L179	L159-I164 HydrophobicContact CD1-CG1 4.31Å; I164-L179 HydrophobicContact CB-CD1 4.4Å; I164-L179 HydrophobicContact CD1-CD1 3.63Å; I164-L179 HydrophobicContact CG1-CD1 3.84Å; I164-L179 HydrophobicContact CG2-CD1 3.69Å
165	T	85.8	Confident	87.7	Confident	54 Å²	54	43.3 Å²	43.3	33%	0.331	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	140.7	-176.6	54.6	0	0	0	0	110.5	V158 D163	V158-T165 PolarHBondContact N-O 3.27Å; V158-T165 PolarHBondContact O-N 2.61Å; V158-T165 PolarHBondContact O-OG1 2.67Å; D163-T165 HydrophobicContact CB-CG2 4.43Å
166	E	85.7	Confident	88.2	Confident	126 Å²	126	38.2 Å²	38.2	59%	0.589	22%	0.216	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-86.4	124	169.3	-67.9	-170.4	166.2	0	0	109.7	K155 M156	K155-E166 HydrophobicContact CD-CB 4.24Å; K155-E166 IonicContact NZ-OE2 3.33Å; M156-E166 WeakPolarHBondContact O-CA 3.28Å
167	V	87.1	Confident	88.6	Confident	19 Å²	19	37.9 Å²	37.9	12%	0.115	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	151.5	178.4	-59.3	0	0	0	0	110.3	K155 M156 V158 I172	K155-V167 CarbonylContact C-O 3.57Å; K155-V167 WeakPolarHBondContact CA-O 3.31Å; M156-V167 PolarHBondContact N-O 3.05Å; M156-V167 PolarHBondContact O-N 2.92Å; V158-V167 HydrophobicContact CB-CG2 4.33Å; V158-V167 HydrophobicContact CG1-CG2 3.77Å; V158-V167 HydrophobicContact CG2-CB 4.22Å; V158-V167 HydrophobicContact CG2-CG1 3.58Å; V158-V167 HydrophobicContact CG2-CG2 3.57Å; V167-I172 HydrophobicContact CG2-CG1 3.94Å
168	L	86	Confident	88.8	Confident	71 Å²	71	36.7 Å²	36.7	37%	0.372	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	145.6	173.1	-65.4	171.9	0	0	0	110.3	S152 K155 G170 D171	S152-L168 WeakPolarHBondContact O-CD2 3.4Å; K155-L168 HydrophobicContact CG-CD2 4.15Å; L168-G170 PolarHBondContact O-N 3.06Å; L168-D171 HydrophobicContact CB-CB 4.41Å; L168-D171 WeakPolarHBondContact O-CB 3.49Å; L168-D171 PolarHBondContact O-N 2.95Å
169	V	85.9	Confident	88.8	Confident	41 Å²	41	38.4 Å²	38.4	25%	0.248	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-55.2	-37	-178.9	160	0	0	0	0	112.7	N56 H154 D171 I172 P187	N56-V169 WeakPolarHBondContact CB-O 3.39Å; N56-V169 PolarHBondContact ND2-O 3.33Å; H154-V169 HydrophobicContact CB-CB 4.34Å; H154-V169 HydrophobicContact CB-CG2 3.92Å; H154-V169 PolarHBondContact O-N 2.68Å; V169-D171 VanDerWaalsContact C-N 3.3Å; V169-D171 PolarHBondContact O-N 3.24Å; V169-I172 WeakPolarHBondContact O-CG1 3.48Å; V169-P187 HydrophobicContact CB-CB 4.39Å; V169-P187 HydrophobicContact CG1-CB 3.77Å; V169-P187 HydrophobicContact CG2-CB 3.92Å
170	G	85.3	Confident	88.8	Confident	22 Å²	22	38.1 Å²	38.1	23%	0.227	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-71.3	-16	176.1	0	0	0	0	0	115.7	L168	L168-G170 PolarHBondContact O-N 3.06Å
171	D	88.5	Confident	88.6	Confident	56 Å²	56	42.1 Å²	42.1	30%	0.299	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-90.8	-3.2	-179.1	-84.6	-50.4	0	0	0	114	R50 R160 L168 V169	R50-D171 IonicContact CZ-OD1 3.06Å; R50-D171 IonicContact NH1-OD1 2.81Å; R50-D171 PolarHBondContact NH1-OD1 2.78Å; R50-D171 VanDerWaalsContact NH2-CA 3.27Å; R50-D171 PolarHBondContact NH2-O 2.85Å; R50-D171 IonicContact NH2-OD1 3.69Å; R50-D171 PolarHBondContact NH2-OD1 2.81Å; R160-D171 PolarHBondContact NH2-O 2.89Å; L168-D171 HydrophobicContact CB-CB 4.41Å; L168-D171 WeakPolarHBondContact O-CB 3.49Å; L168-D171 PolarHBondContact O-N 2.95Å; V169-D171 VanDerWaalsContact C-N 3.3Å; V169-D171 PolarHBondContact O-N 3.24Å
172	I	91	Very high	88.5	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.238	C	C	.	.			trans	-71.4	140.9	176.5	-59.6	173.6	0	0	0	110.2	N56 M156 V167 V169 D176 P187 V237	N56-I172 HydrophobicContact CB-CB 4.31Å; M156-I172 HydrophobicContact CB-CD1 3.82Å; M156-I172 HydrophobicContact CG-CD1 4.36Å; V167-I172 HydrophobicContact CG2-CG1 3.94Å; V169-I172 WeakPolarHBondContact O-CG1 3.48Å; I172-D176 HydrophobicContact CG2-CB 4.47Å; I172-P187 HydrophobicContact CD1-CB 3.85Å; I172-P187 HydrophobicContact CD1-CG 3.47Å; I172-P187 VanDerWaalsContact CD1-CG 3.47Å; I172-V237 HydrophobicContact CG2-CG1 4.32Å; I172-V237 HydrophobicContact CG2-CG2 3.91Å
173	V	93.1	Very high	88.2	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.222	C	C	.	.			trans	-131.4	160.1	179.2	-60	0	0	0	0	112.4	L41 L46 R49 R50 G175 D176	L41-V173 HydrophobicContact CD2-CG2 3.61Å; L46-V173 HydrophobicContact CD2-CG2 3.67Å; R49-V173 HydrophobicContact CB-CB 4.03Å; R49-V173 HydrophobicContact CB-CG1 4.38Å; R49-V173 HydrophobicContact CB-CG2 4.17Å; R50-V173 HydrophobicContact CG-CG1 3.67Å; V173-G175 PolarHBondContact O-N 2.86Å; V173-D176 WeakPolarHBondContact CG2-OD2 3.17Å; V173-D176 PolarHBondContact N-OD2 3Å; V173-D176 WeakPolarHBondContact O-CB 3.44Å; V173-D176 PolarHBondContact O-N 3.4Å
174	V	93.3	Very high	88.1	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	127.2	176.2	175.2	0	0	0	0	111	L4 L33 R49 F53 T238 V240	L4-V174 HydrophobicContact CD1-CG1 4.05Å; L33-V174 HydrophobicContact CD2-CG1 4.02Å; R49-V174 WeakPolarHBondContact CD-O 3.46Å; R49-V174 PolarHBondContact NH1-O 3.3Å; F53-V174 HydrophobicContact CB-CB 4.09Å; F53-V174 HydrophobicContact CB-CG2 3.7Å; F53-V174 HydrophobicContact CD1-CB 4.04Å; F53-V174 HydrophobicContact CD1-CG1 4.04Å; F53-V174 HydrophobicContact CD1-CG2 4.02Å; F53-V174 HydrophobicContact CD2-CB 4.03Å; F53-V174 HydrophobicContact CE1-CB 4.47Å; F53-V174 HydrophobicContact CE1-CG1 4.05Å; F53-V174 HydrophobicContact CE2-CB 4.47Å; F53-V174 HydrophobicContact CG-CB 3.8Å; F53-V174 HydrophobicContact CG-CG1 4.28Å; F53-V174 HydrophobicContact CG-CG2 3.88Å; F53-V174 HydrophobicContact CZ-CG1 4.3Å; V174-T238 WeakPolarHBondContact CG2-O 3.5Å; V174-V240 HydrophobicContact CG2-CG1 4.21Å; V174-V240 HydrophobicContact CG2-CG2 4.07Å
175	G	91.4	Very high	88	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.7	3.9	-175.1	0	0	0	0	0	115.7	T35 V173 V237	T35-G175 WeakPolarHBondContact CB-O 3.39Å; T35-G175 WeakPolarHBondContact CG2-O 3.31Å; T35-G175 PolarHBondContact OG1-O 2.98Å; V173-G175 PolarHBondContact O-N 2.86Å; G175-V237 PolarHBondContact N-O 3.09Å
176	D	93	Very high	88.2	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.158	C	C	.	.			trans	-59.5	154.2	154.9	-82.4	-40.2	0	0	0	110	R160 I172 V173 V236 V237	R160-D176 IonicContact CZ-OD1 2.7Å; R160-D176 IonicContact CZ-OD2 2.84Å; R160-D176 IonicContact NE-OD1 3.61Å; R160-D176 PolarHBondContact NE-OD1 2.86Å; R160-D176 IonicContact NE-OD2 3.3Å; R160-D176 IonicContact NH2-OD1 3.95Å; R160-D176 PolarHBondContact NH2-OD1 3.03Å; R160-D176 IonicContact NH2-OD2 3.34Å; R160-D176 PolarHBondContact NH2-OD2 3.29Å; I172-D176 HydrophobicContact CG2-CB 4.47Å; V173-D176 WeakPolarHBondContact CG2-OD2 3.17Å; V173-D176 PolarHBondContact N-OD2 3Å; V173-D176 WeakPolarHBondContact O-CB 3.44Å; V173-D176 PolarHBondContact O-N 3.4Å; D176-V236 WeakPolarHBondContact O-CA 3.1Å; D176-V237 HydrophobicContact CB-CG2 4.16Å; D176-V237 PolarHBondContact O-N 2.83Å
177	I	93.5	Very high	88.3	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	110.3	169.1	-64.1	-179.7	0	0	0	108.7	S36 V158 L159 L193 K234 M235	S36-I177 WeakPolarHBondContact O-CD1 3.18Å; V158-I177 CarbonylContact C-O 3.58Å; V158-I177 VanDerWaalsContact CA-O 3.29Å; V158-I177 WeakPolarHBondContact CA-O 3.25Å; L159-I177 HydrophobicContact CB-CB 4.23Å; L159-I177 HydrophobicContact CB-CG2 4.37Å; L159-I177 HydrophobicContact CD2-CG2 4.48Å; L159-I177 PolarHBondContact N-O 2.95Å; I177-L193 HydrophobicContact CD1-CD1 3.61Å; I177-L193 HydrophobicContact CG1-CD1 3.92Å; I177-L193 HydrophobicContact CG2-CD1 4.07Å; I177-K234 HydrophobicContact CG2-CB 4.38Å; I177-M235 CarbonylContact C-O 3.51Å; I177-M235 VanDerWaalsContact CA-O 3.26Å; I177-M235 WeakPolarHBondContact CA-O 3.47Å
178	C	92.8	Very high	88.5	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	139.2	174.2	-60.6	0	0	0	0	110.2	M156 K234 M235 V237	M156-C178 HydrophobicContact CE-CB 4.08Å; M156-C178 HydrophobicContact CG-CB 4.28Å; C178-K234 WeakPolarHBondContact O-CA 3.06Å; C178-M235 HydrophobicContact CB-CE 4.2Å; C178-M235 HydrophobicContact CB-CG 3.89Å; C178-M235 PolarHBondContact N-O 3.37Å; C178-M235 PolarHBondContact O-N 3.11Å; C178-V237 VanDerWaalsContact SG-CG2 3.55Å
179	L	91.5	Very high	88.8	Confident	36 Å²	36	22.2 Å²	22.2	19%	0.188	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	111.8	170.9	-55.9	-176.7	0	0	0	108.3	M156 S157 I164 K234	M156-L179 WeakPolarHBondContact CE-O 3.3Å; S157-L179 PolarHBondContact O-N 3.04Å; I164-L179 HydrophobicContact CB-CD1 4.4Å; I164-L179 HydrophobicContact CD1-CD1 3.63Å; I164-L179 HydrophobicContact CG1-CD1 3.84Å; I164-L179 HydrophobicContact CG2-CD1 3.69Å; L179-K234 HydrophobicContact CD2-CB 4.48Å; L179-K234 HydrophobicContact CD2-CD 4.07Å; L179-K234 HydrophobicContact CD2-CG 3.73Å
180	V	90.8	Very high	89.1	Confident	3 Å²	3	20.2 Å²	20.2	2%	0.018	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	132.9	-175.9	-59.9	0	0	0	0	110.5	M156 D184 L186 L198 L222 V228 S232 G233 M235	M156-V180 HydrophobicContact CE-CB 4.4Å; M156-V180 HydrophobicContact CE-CG1 3.68Å; V180-D184 WeakPolarHBondContact CA-OD2 3.26Å; V180-L186 HydrophobicContact CB-CD2 4.2Å; V180-L186 HydrophobicContact CG1-CD2 3.47Å; V180-L186 VanDerWaalsContact CG1-CD2 3.47Å; V180-L198 HydrophobicContact CG2-CD1 4.07Å; V180-L198 HydrophobicContact CG2-CD2 4.19Å; V180-L222 HydrophobicContact CG2-CD1 4.49Å; V180-V228 HydrophobicContact CB-CG2 4.35Å; V180-S232 CarbonylContact O-C 3.47Å; V180-S232 VanDerWaalsContact O-CA 3.25Å; V180-S232 WeakPolarHBondContact O-CA 3.27Å; V180-S232 WeakPolarHBondContact O-CB 3.29Å; V180-G233 PolarHBondContact N-O 2.95Å; V180-G233 PolarHBondContact O-N 2.9Å; V180-M235 HydrophobicContact CG1-CG 4.21Å; V180-M235 HydrophobicContact CG1-SD 3.96Å
181	K	86.7	Confident	89.5	Confident	106 Å²	106	19.2 Å²	19.2	46%	0.461	9%	0.088	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	161.2	176.7	54.3	177.3	-179.5	-167.7	0	109.2	G183 D184 V228	K181-G183 PolarHBondContact O-N 2.89Å; K181-D184 WeakPolarHBondContact CE-OD1 3.43Å; K181-D184 VanDerWaalsContact CG-CG 3.46Å; K181-D184 VanDerWaalsContact CG-OD1 3.23Å; K181-D184 WeakPolarHBondContact CG-OD1 3.41Å; K181-D184 WeakPolarHBondContact CG-OD2 3.32Å; K181-D184 PolarHBondContact N-OD2 2.67Å; K181-D184 IonicContact NZ-OD1 2.61Å; K181-D184 VanDerWaalsContact O-CG 3.31Å; K181-D184 PolarHBondContact O-N 3.39Å; K181-V228 WeakPolarHBondContact O-CB 3.45Å
182	Y	83.5	Confident	89.7	Confident	147 Å²	147	16.6 Å²	16.6	58%	0.576	7%	0.074	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.3	137.1	170.9	77.9	-81.3	0	0	0	111.1	G231	Y182-G231 PolarHBondContact N-O 3.05Å; Y182-G231 VanDerWaalsContact N-O 3.14Å
183	G	75.2	Confident	89.7	Confident	1 Å²	1	18 Å²	18	1%	0.01	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.4	-8.5	-179.2	0	0	0	0	0	116.5	K181 V228 T841 D862	K181-G183 PolarHBondContact O-N 2.89Å; G183-V228 PolarHBondContact N-O 3.25Å; G183-T841 VanDerWaalsContact CA-CG2 3.47Å; G183-D862 PolarHBondContact O-N 3.4Å
184	D	82.3	Confident	89.5	Confident	7 Å²	7	23 Å²	23	4%	0.037	11%	0.105	C	C	.	.	P	Polyproline II helix	trans	-71.3	140.5	175	-66.1	-16.9	0	0	0	111.7	M156 V180 K181 V228	M156-D184 HydrophobicContact CE-CB 4.49Å; V180-D184 WeakPolarHBondContact CA-OD2 3.26Å; K181-D184 WeakPolarHBondContact CE-OD1 3.43Å; K181-D184 VanDerWaalsContact CG-CG 3.46Å; K181-D184 VanDerWaalsContact CG-OD1 3.23Å; K181-D184 WeakPolarHBondContact CG-OD1 3.41Å; K181-D184 WeakPolarHBondContact CG-OD2 3.32Å; K181-D184 PolarHBondContact N-OD2 2.67Å; K181-D184 IonicContact NZ-OD1 2.61Å; K181-D184 VanDerWaalsContact O-CG 3.31Å; K181-D184 PolarHBondContact O-N 3.39Å; D184-V228 HydrophobicContact CB-CG2 4.33Å; D184-V228 PolarHBondContact O-N 2.94Å
185	L	84.8	Confident	89.2	Confident	33 Å²	33	24.8 Å²	24.8	17%	0.173	12%	0.117	C	C	.	.	B	Isolated β-bridge	trans	-84.6	123.3	158	168.7	62	0	0	0	108.4	P187 D862 E866	L185-P187 WeakPolarHBondContact O-CD 3.49Å; L185-D862 HydrophobicContact CB-CB 3.97Å; L185-E866 HydrophobicContact CD2-CG 4.37Å
186	L	90.1	Very high	89	Confident	1 Å²	1	30 Å²	30	1%	0.005	15%	0.145	C	C	.	.	P	Polyproline II helix	trans	-73.6	118.8	-177.8	-65.2	177	0	0	0	110.6	V180 V200 L222 L223 S224 G225 T226 V228 M235	V180-L186 HydrophobicContact CB-CD2 4.2Å; V180-L186 HydrophobicContact CG1-CD2 3.47Å; V180-L186 VanDerWaalsContact CG1-CD2 3.47Å; L186-V200 HydrophobicContact CD1-CG1 4.39Å; L186-V200 HydrophobicContact CD1-CG2 4.39Å; L186-L222 HydrophobicContact CD1-CB 4.14Å; L186-L222 HydrophobicContact CD1-CD2 3.96Å; L186-L222 HydrophobicContact CD1-CG 4.5Å; L186-L223 WeakPolarHBondContact CB-O 3.13Å; L186-S224 WeakPolarHBondContact O-CA 3.43Å; L186-G225 PolarHBondContact O-N 3.27Å; L186-T226 WeakPolarHBondContact CB-O 3.26Å; L186-T226 PolarHBondContact N-O 2.74Å; L186-V228 HydrophobicContact CD1-CG2 4.17Å; L186-V228 HydrophobicContact CD2-CG2 3.77Å; L186-V228 HydrophobicContact CG-CG2 3.99Å; L186-M235 HydrophobicContact CD2-SD 4.36Å
187	P	87.6	Confident	88.6	Confident	13 Å²	13	34.7 Å²	34.7	8%	0.084	17%	0.17	C	C	.	.			trans	-87.6	-10.2	-166.3	33.7	-36.9	0	0	0	114.6	N56 M156 V169 I172 L185	N56-P187 PolarHBondContact ND2-O 3.11Å; N56-P187 PolarHBondContact OD1-O 2.74Å; M156-P187 HydrophobicContact CB-CG 4.35Å; M156-P187 HydrophobicContact CG-CG 4.11Å; V169-P187 HydrophobicContact CB-CB 4.39Å; V169-P187 HydrophobicContact CG1-CB 3.77Å; V169-P187 HydrophobicContact CG2-CB 3.92Å; I172-P187 HydrophobicContact CD1-CB 3.85Å; I172-P187 HydrophobicContact CD1-CG 3.47Å; I172-P187 VanDerWaalsContact CD1-CG 3.47Å; L185-P187 WeakPolarHBondContact O-CD 3.49Å
188	A	91.6	Very high	88.3	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.17	C	C	.	.	S	Bend	trans	-159.6	161.2	-172.6	0	0	0	0	0	109.3	M235 V237 A239 V240	A188-M235 WeakPolarHBondContact O-CE 3.49Å; A188-V237 HydrophobicContact CB-CG1 3.76Å; A188-A239 WeakPolarHBondContact CB-O 3.4Å; A188-V240 HydrophobicContact CB-CG1 4.08Å
189	D	92.8	Very high	87.9	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	142.2	175	-60	-14.9	0	0	0	110.4	M8 L222 S224 T238 A239 S244 Q245	M8-D189 HydrophobicContact CB-CB 4.4Å; M8-D189 HydrophobicContact CG-CB 3.63Å; M8-D189 HydrophobicContact SD-CB 3.63Å; D189-L222 CarbonylContact C-O 3.53Å; D189-L222 WeakPolarHBondContact CA-O 3.34Å; D189-S224 WeakPolarHBondContact OD1-CB 3.28Å; D189-S224 PolarHBondContact OD1-N 3.21Å; D189-T238 PolarHBondContact O-N 2.97Å; D189-T238 PolarHBondContact O-OG1 3.37Å; D189-A239 HydrophobicContact CB-CB 4.19Å; D189-A239 PolarHBondContact N-O 3.31Å; D189-A239 PolarHBondContact O-N 3.03Å; D189-S244 WeakPolarHBondContact OD2-CA 3.32Å; D189-Q245 PolarHBondContact OD2-N 3.23Å
190	G	92.9	Very high	87.6	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	171.4	-175	0	0	0	0	0	115.4	L222 V236	G190-L222 PolarHBondContact N-O 3.29Å; G190-L222 PolarHBondContact O-N 2.96Å; G190-V236 CarbonylContact C-O 3.47Å; G190-V236 WeakPolarHBondContact CA-O 3.49Å
191	V	93.6	Very high	87	Confident	0 Å²	0	37 Å²	37	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	130.2	178.3	-174	0	0	0	0	110.1	L7 M8 V19 A26 L29 L193 P220 M221 M235 V236 T238	L7-V191 HydrophobicContact CD2-CG2 4.07Å; M8-V191 HydrophobicContact CE-CG2 3.9Å; V19-V191 HydrophobicContact CG2-CG1 4.39Å; A26-V191 HydrophobicContact CB-CG1 4.41Å; L29-V191 HydrophobicContact CD2-CB 4.02Å; L29-V191 HydrophobicContact CD2-CG1 4.45Å; L29-V191 HydrophobicContact CD2-CG2 3.6Å; V191-L193 PolarHBondContact O-N 2.85Å; V191-P220 CarbonylContact C-O 3.51Å; V191-P220 VanDerWaalsContact CA-O 3.29Å; V191-P220 WeakPolarHBondContact CA-O 3.25Å; V191-P220 HydrophobicContact CG1-CB 4.12Å; V191-M221 HydrophobicContact CB-CE 4.32Å; V191-M221 HydrophobicContact CG1-CE 3.99Å; V191-M221 HydrophobicContact CG2-CE 3.67Å; V191-M235 CarbonylContact O-C 3.23Å; V191-M235 WeakPolarHBondContact O-CA 3.36Å; V191-V236 HydrophobicContact CB-CG1 4.01Å; V191-V236 PolarHBondContact N-O 2.84Å; V191-V236 PolarHBondContact O-N 3.05Å; V191-T238 HydrophobicContact CG2-CG2 3.83Å
192	V	92.9	Very high	86.7	Confident	1 Å²	1	32.4 Å²	32.4	1%	0.006	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	123.6	175.2	179.2	0	0	0	0	110.2	L198 E216 P220 L222	V192-L198 HydrophobicContact CG2-CD2 4.35Å; V192-E216 HydrophobicContact CG1-CG 4.13Å; V192-P220 HydrophobicContact CB-CB 4.31Å; V192-P220 WeakPolarHBondContact CG2-O 3.39Å; V192-P220 PolarHBondContact N-O 3.05Å; V192-L222 HydrophobicContact CG2-CD1 3.7Å; V192-L222 HydrophobicContact CG2-CD2 4.48Å; V192-L222 HydrophobicContact CG2-CG 3.81Å
193	L	90.8	Very high	85.9	Confident	30 Å²	30	27.6 Å²	27.6	16%	0.157	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	-28.3	170.1	-59.7	-177.6	0	0	0	112.4	A26 C30 I177 V191 K234 V236	A26-L193 HydrophobicContact CB-CD2 3.92Å; C30-L193 VanDerWaalsContact SG-CD2 3.6Å; I177-L193 HydrophobicContact CD1-CD1 3.61Å; I177-L193 HydrophobicContact CG1-CD1 3.92Å; I177-L193 HydrophobicContact CG2-CD1 4.07Å; V191-L193 PolarHBondContact O-N 2.85Å; L193-K234 HydrophobicContact CB-CB 4.17Å; L193-K234 PolarHBondContact N-O 3.37Å; L193-V236 HydrophobicContact CD1-CB 4.17Å; L193-V236 HydrophobicContact CD2-CB 4.12Å; L193-V236 HydrophobicContact CD2-CG1 3.79Å; L193-V236 HydrophobicContact CG-CB 4.24Å; L193-V236 HydrophobicContact CG-CG1 4.32Å
194	Q	88.8	Confident	85.3	Confident	106 Å²	106	30.1 Å²	30.1	50%	0.495	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159	135	-179.1	-170.5	176.1	15.8	0	0	108.7	E216 G233 K234	Q194-E216 WeakPolarHBondContact CA-OE1 3.41Å; Q194-G233 CarbonylContact O-C 3.6Å; Q194-G233 WeakPolarHBondContact O-CA 3.26Å; Q194-K234 HydrophobicContact CB-CB 4.25Å; Q194-K234 HydrophobicContact CB-CD 4.46Å; Q194-K234 HydrophobicContact CB-CG 4.26Å; Q194-K234 PolarHBondContact N-O 2.92Å; Q194-K234 PolarHBondContact O-N 3.48Å
195	S	86.6	Confident	84.8	Confident	36 Å²	36	32 Å²	32	25%	0.252	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	142.8	176.8	54.3	0	0	0	0	113.6	G215 E216	S195-G215 VanDerWaalsContact OG-CA 3.22Å; S195-G215 WeakPolarHBondContact OG-CA 3.36Å; S195-E216 PolarHBondContact N-OE1 2.97Å
196	N	87.8	Confident	84.1	Confident	110 Å²	110	33.7 Å²	33.7	59%	0.588	19%	0.188	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-128.7	96.7	173	-175.3	33.4	0	0	0	109.3	L198 G231 S232	N196-L198 PolarHBondContact O-N 2.72Å; N196-L198 VanDerWaalsContact O-N 3.1Å; N196-G231 WeakPolarHBondContact O-CA 3.29Å; N196-S232 PolarHBondContact N-O 2.93Å; N196-S232 PolarHBondContact O-N 2.84Å; N196-S232 VanDerWaalsContact O-N 3.09Å
197	D	84.5	Confident	82.2	Confident	98 Å²	98	36.3 Å²	36.3	52%	0.524	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	43.5	38.8	-172.8	-80.2	-38	0	0	0	115	K199 K213	D197-K199 PolarHBondContact O-N 2.76Å; D197-K213 WeakPolarHBondContact OD1-CE 3.31Å; D197-K213 IonicContact OD1-NZ 2.64Å; D197-K213 PolarHBondContact OD1-NZ 3.39Å
198	L	86.2	Confident	80.8	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	123.8	-179	-170.8	67	0	0	0	111.2	V180 V192 N196 K214 L222 V228 E230	V180-L198 HydrophobicContact CG2-CD1 4.07Å; V180-L198 HydrophobicContact CG2-CD2 4.19Å; V192-L198 HydrophobicContact CG2-CD2 4.35Å; N196-L198 PolarHBondContact O-N 2.72Å; N196-L198 VanDerWaalsContact O-N 3.1Å; L198-K214 HydrophobicContact CB-CB 4.41Å; L198-K214 HydrophobicContact CD2-CB 4.03Å; L198-K214 HydrophobicContact CG-CB 4.19Å; L198-K214 PolarHBondContact O-N 3.24Å; L198-L222 HydrophobicContact CD2-CD1 4.14Å; L198-L222 HydrophobicContact CD2-CD2 4.14Å; L198-V228 HydrophobicContact CD1-CG1 3.5Å; L198-E230 WeakPolarHBondContact CA-O 3.08Å
199	K	84.6	Confident	79	Confident	57 Å²	57	46 Å²	46	25%	0.248	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	140.9	171.4	-59.7	-177.3	-170	162.5	0	111	D197 Q211 V212 M229 E230	D197-K199 PolarHBondContact O-N 2.76Å; K199-Q211 HydrophobicContact CB-CB 4.34Å; K199-Q211 HydrophobicContact CD-CB 4.17Å; K199-V212 WeakPolarHBondContact CA-O 3.14Å; K199-M229 PolarHBondContact O-N 3.09Å; K199-E230 HydrophobicContact CB-CB 4.18Å; K199-E230 HydrophobicContact CD-CB 4.13Å; K199-E230 HydrophobicContact CD-CG 4.33Å; K199-E230 WeakPolarHBondContact CE-OE2 3.43Å; K199-E230 HydrophobicContact CG-CB 4.25Å; K199-E230 PolarHBondContact N-O 3.02Å; K199-E230 IonicContact NZ-OE1 2.76Å; K199-E230 PolarHBondContact NZ-OE1 2.81Å; K199-E230 IonicContact NZ-OE2 3.16Å; K199-E230 PolarHBondContact NZ-OE2 3.32Å; K199-E230 PolarHBondContact O-N 3.28Å
200	V	85	Confident	77.7	Confident	0 Å²	0	52 Å²	52	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	138.4	-176.8	176.9	0	0	0	0	110.4	L186 E202 V212 K214 L222 T226 H227	L186-V200 HydrophobicContact CD1-CG1 4.39Å; L186-V200 HydrophobicContact CD1-CG2 4.39Å; V200-E202 HydrophobicContact CG1-CG 4.07Å; V200-V212 PolarHBondContact N-O 3.29Å; V200-V212 PolarHBondContact O-N 2.82Å; V200-K214 HydrophobicContact CB-CG 4.16Å; V200-K214 HydrophobicContact CG2-CG 3.83Å; V200-L222 HydrophobicContact CG2-CD2 3.68Å; V200-T226 WeakPolarHBondContact CG1-OG1 3.37Å; V200-H227 CarbonylContact C-O 3.52Å; V200-H227 VanDerWaalsContact CA-O 3.31Å; V200-H227 WeakPolarHBondContact CA-O 3.39Å; V200-H227 WeakPolarHBondContact CG1-O 3.31Å
201	D	78	Confident	77	Confident	32 Å²	32	56 Å²	56	17%	0.171	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	111.8	167.2	-179.9	-11.1	0	0	0	108.6	S203 T226 H227 M229	D201-S203 WeakPolarHBondContact OD1-CB 3.32Å; D201-S203 PolarHBondContact OD1-N 2.79Å; D201-S203 PolarHBondContact OD1-OG 2.92Å; D201-T226 VanDerWaalsContact O-CB 3.32Å; D201-T226 WeakPolarHBondContact O-CB 3.35Å; D201-H227 PolarHBondContact N-O 2.89Å; D201-H227 PolarHBondContact O-N 2.75Å; D201-M229 HydrophobicContact CB-CG 3.62Å; D201-M229 HydrophobicContact CB-SD 4.06Å
202	E	80.1	Confident	76.6	Confident	8 Å²	8	58.3 Å²	58.3	4%	0.037	33%	0.331	C	S	.	.			trans	-98.5	8.3	178.2	-57.2	-156.2	154.4	0	0	113.4	R11 V200 S204 L205 T206 V212 K214 L223 T226	R11-E202 IonicContact NE-OE2 3.09Å; V200-E202 HydrophobicContact CG1-CG 4.07Å; E202-S204 PolarHBondContact O-N 2.66Å; E202-L205 PolarHBondContact O-N 2.82Å; E202-T206 HydrophobicContact CB-CG2 3.99Å; E202-T206 PolarHBondContact O-N 3.1Å; E202-T206 PolarHBondContact O-OG1 2.93Å; E202-T206 VanDerWaalsContact O-OG1 3.12Å; E202-V212 HydrophobicContact CG-CG2 4.13Å; E202-K214 WeakPolarHBondContact OE1-CE 3.21Å; E202-K214 IonicContact OE1-NZ 3.25Å; E202-K214 PolarHBondContact OE1-NZ 2.93Å; E202-L223 VanDerWaalsContact OE1-CD1 3.32Å; E202-L223 WeakPolarHBondContact OE1-CD1 3.45Å; E202-T226 HydrophobicContact CB-CG2 4.23Å; E202-T226 HydrophobicContact CG-CG2 4.16Å
203	S	67.6	Low	76.4	Confident	46 Å²	46	62.9 Å²	62.9	32%	0.322	35%	0.35	S	S	.	.	H	α-helix	trans	-58.7	-24.4	-174.4	64.3	0	0	0	0	114.3	D201 L205 G207 E208	D201-S203 WeakPolarHBondContact OD1-CB 3.32Å; D201-S203 PolarHBondContact OD1-N 2.79Å; D201-S203 PolarHBondContact OD1-OG 2.92Å; S203-L205 PolarHBondContact O-N 2.97Å; S203-G207 VanDerWaalsContact O-CA 3.26Å; S203-G207 WeakPolarHBondContact O-CA 3.05Å; S203-G207 PolarHBondContact O-N 2.86Å; S203-E208 VanDerWaalsContact CA-O 3.29Å; S203-E208 WeakPolarHBondContact CA-O 3.33Å; S203-E208 VanDerWaalsContact CB-O 3.23Å; S203-E208 WeakPolarHBondContact CB-O 3.28Å
204	S	63.2	Low	76.3	Confident	55 Å²	55	61.5 Å²	61.5	39%	0.385	34%	0.343	S	S	.	.	H	α-helix	trans	-64.8	-23.4	172.6	57.7	0	0	0	0	114.1	E202 G225	E202-S204 PolarHBondContact O-N 2.66Å; S204-G225 WeakPolarHBondContact CB-O 3.25Å; S204-G225 PolarHBondContact OG-O 2.82Å
205	L	70.5	Confident	76.1	Confident	46 Å²	46	56.7 Å²	56.7	24%	0.241	32%	0.322	C	S	.	.	H	α-helix	trans	-113.7	-38.2	-179.4	-61.6	179.8	0	0	0	112.8	E202 S203 L223 T226 A246 I249	E202-L205 PolarHBondContact O-N 2.82Å; S203-L205 PolarHBondContact O-N 2.97Å; L205-L223 HydrophobicContact CD1-CB 3.64Å; L205-L223 HydrophobicContact CD1-CD1 3.65Å; L205-L223 HydrophobicContact CD1-CG 4.27Å; L205-T226 HydrophobicContact CD1-CG2 3.58Å; L205-T226 HydrophobicContact CG-CG2 4Å; L205-A246 HydrophobicContact CD2-CB 4.34Å; L205-I249 HydrophobicContact CD2-CD1 3.82Å
206	T	70.8	Confident	76.2	Confident	69 Å²	69	59 Å²	59	42%	0.423	33%	0.329	S	S	.	.	H	α-helix	trans	-93.7	-29	-177.5	63.4	0	0	0	0	113.2	E202 E208	E202-T206 HydrophobicContact CB-CG2 3.99Å; E202-T206 PolarHBondContact O-N 3.1Å; E202-T206 PolarHBondContact O-OG1 2.93Å; E202-T206 VanDerWaalsContact O-OG1 3.12Å; T206-E208 PolarHBondContact OG1-N 3.16Å
207	G	49.7	Very low	76	Confident	56 Å²	56	60.1 Å²	60.1	58%	0.577	33%	0.334	S	S	*	.	S	Bend	trans	78.9	-2.1	-165.8	0	0	0	0	0	114.7	S203	S203-G207 VanDerWaalsContact O-CA 3.26Å; S203-G207 WeakPolarHBondContact O-CA 3.05Å; S203-G207 PolarHBondContact O-N 2.86Å
208	E	59.2	Low	76	Confident	135 Å²	135	60 Å²	60	63%	0.631	33%	0.333	S	S	*	.			trans	-92.9	125.2	178.9	-61.2	-170.6	150	0	0	110.2	S203 T206 D210	S203-E208 VanDerWaalsContact CA-O 3.29Å; S203-E208 WeakPolarHBondContact CA-O 3.33Å; S203-E208 VanDerWaalsContact CB-O 3.23Å; S203-E208 WeakPolarHBondContact CB-O 3.28Å; T206-E208 PolarHBondContact OG1-N 3.16Å; E208-D210 VanDerWaalsContact C-N 3.27Å; E208-D210 PolarHBondContact O-N 3.48Å
209	P	53.8	Low	76.1	Confident	81 Å²	81	60.5 Å²	60.5	53%	0.526	34%	0.336	S	S	.	.			trans	-83.5	6	-172.5	36	-38.4	0	0	0	114.4
210	D	65.6	Low	76.5	Confident	127 Å²	127	58 Å²	58	68%	0.679	33%	0.325	S	S	*	.	S	Bend	trans	-85.9	138.4	-174.5	-73.6	-31.4	0	0	0	111.8	E208 V212	E208-D210 VanDerWaalsContact C-N 3.27Å; E208-D210 PolarHBondContact O-N 3.48Å; D210-V212 PolarHBondContact O-N 2.85Å
211	Q	78	Confident	76.8	Confident	82 Å²	82	58 Å²	58	38%	0.383	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	108.5	-178.6	-67.2	-179.8	-4.9	0	0	111.3	K199 K213 M229	K199-Q211 HydrophobicContact CB-CB 4.34Å; K199-Q211 HydrophobicContact CD-CB 4.17Å; Q211-K213 PolarHBondContact O-N 3.07Å; Q211-M229 HydrophobicContact CG-CB 4.35Å; Q211-M229 HydrophobicContact CG-CG 4.38Å
212	V	84.8	Confident	77.4	Confident	49 Å²	49	56.4 Å²	56.4	30%	0.297	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	121.7	177.3	-174.7	0	0	0	0	109.4	K199 V200 E202 D210 K214	K199-V212 WeakPolarHBondContact CA-O 3.14Å; V200-V212 PolarHBondContact N-O 3.29Å; V200-V212 PolarHBondContact O-N 2.82Å; E202-V212 HydrophobicContact CG-CG2 4.13Å; D210-V212 PolarHBondContact O-N 2.85Å; V212-K214 HydrophobicContact CG1-CD 4.09Å; V212-K214 PolarHBondContact O-N 3.34Å
213	K	88.2	Confident	78	Confident	97 Å²	97	56 Å²	56	42%	0.422	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	122.3	172.9	-173.8	168.9	-170.7	167.8	0	110	D197 Q211	D197-K213 WeakPolarHBondContact OD1-CE 3.31Å; D197-K213 IonicContact OD1-NZ 2.64Å; D197-K213 PolarHBondContact OD1-NZ 3.39Å; Q211-K213 PolarHBondContact O-N 3.07Å
214	K	89	Confident	79	Confident	2 Å²	2	54.4 Å²	54.4	1%	0.009	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-103.2	154.1	-178.8	-60.3	-62.6	-172.8	162.6	0	111.1	L198 V200 E202 V212 D219 M221 L222	L198-K214 HydrophobicContact CB-CB 4.41Å; L198-K214 HydrophobicContact CD2-CB 4.03Å; L198-K214 HydrophobicContact CG-CB 4.19Å; L198-K214 PolarHBondContact O-N 3.24Å; V200-K214 HydrophobicContact CB-CG 4.16Å; V200-K214 HydrophobicContact CG2-CG 3.83Å; E202-K214 WeakPolarHBondContact OE1-CE 3.21Å; E202-K214 IonicContact OE1-NZ 3.25Å; E202-K214 PolarHBondContact OE1-NZ 2.93Å; V212-K214 HydrophobicContact CG1-CD 4.09Å; V212-K214 PolarHBondContact O-N 3.34Å; K214-D219 WeakPolarHBondContact CA-O 3.41Å; K214-D219 HydrophobicContact CD-CB 3.98Å; K214-D219 IonicContact NZ-OD1 3.69Å; K214-D219 IonicContact NZ-OD2 3Å; K214-D219 PolarHBondContact NZ-OD2 2.68Å; K214-M221 WeakPolarHBondContact CD-O 3.38Å; K214-M221 VanDerWaalsContact CE-O 3.28Å; K214-M221 WeakPolarHBondContact CE-O 3.38Å; K214-M221 PolarHBondContact NZ-O 2.94Å; K214-L222 HydrophobicContact CB-CD2 4.3Å; K214-L222 HydrophobicContact CD-CD2 4.42Å; K214-L222 HydrophobicContact CG-CD2 3.89Å
215	G	85.9	Confident	79.8	Confident	4 Å²	4	52.9 Å²	52.9	4%	0.041	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	162.7	159.1	175.1	0	0	0	0	0	113.7	S195 N217 I218 D219	S195-G215 VanDerWaalsContact OG-CA 3.22Å; S195-G215 WeakPolarHBondContact OG-CA 3.36Å; G215-N217 PolarHBondContact O-N 3.27Å; G215-I218 PolarHBondContact O-N 3.5Å; G215-D219 PolarHBondContact N-O 2.91Å; G215-D219 CarbonylContact O-C 3.6Å; G215-D219 VanDerWaalsContact O-C 3.23Å; G215-D219 PolarHBondContact O-N 3.13Å; G215-D219 VanDerWaalsContact O-N 3.12Å
216	E	87	Confident	80.6	Confident	85 Å²	85	50.7 Å²	50.7	40%	0.397	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.5	-36.7	-170.4	-64.5	145.9	-115.6	0	0	114.7	V192 Q194 S195	V192-E216 HydrophobicContact CG1-CG 4.13Å; Q194-E216 WeakPolarHBondContact CA-OE1 3.41Å; S195-E216 PolarHBondContact N-OE1 2.97Å
217	N	84.1	Confident	81.1	Confident	133 Å²	133	48.7 Å²	48.7	71%	0.711	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.9	8.1	-175	-60.3	-61.9	0	0	0	114.3	G215	G215-N217 PolarHBondContact O-N 3.27Å
218	I	84.4	Confident	82.8	Confident	97 Å²	97	46 Å²	46	50%	0.497	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.2	-66.4	-176.1	-58.8	175.9	0	0	0	109.7	G12 A13 G215	G12-I218 CarbonylContact C-O 3.52Å; G12-I218 VanDerWaalsContact CA-O 3.23Å; G12-I218 WeakPolarHBondContact CA-O 3.27Å; A13-I218 PolarHBondContact N-O 2.84Å; G215-I218 PolarHBondContact O-N 3.5Å
219	D	89.6	Confident	83.7	Confident	10 Å²	10	41.4 Å²	41.4	5%	0.053	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-148.2	101.4	171.4	-174	2.1	0	0	0	107.8	G12 K214 G215 M221	G12-D219 VanDerWaalsContact N-CG 3.28Å; G12-D219 PolarHBondContact N-OD1 3.35Å; G12-D219 VanDerWaalsContact N-OD1 3.13Å; K214-D219 WeakPolarHBondContact CA-O 3.41Å; K214-D219 HydrophobicContact CD-CB 3.98Å; K214-D219 IonicContact NZ-OD1 3.69Å; K214-D219 IonicContact NZ-OD2 3Å; K214-D219 PolarHBondContact NZ-OD2 2.68Å; G215-D219 PolarHBondContact N-O 2.91Å; G215-D219 CarbonylContact O-C 3.6Å; G215-D219 VanDerWaalsContact O-C 3.23Å; G215-D219 PolarHBondContact O-N 3.13Å; G215-D219 VanDerWaalsContact O-N 3.12Å; D219-M221 VanDerWaalsContact C-N 3.28Å; D219-M221 PolarHBondContact OD1-N 3.19Å; D219-M221 VanDerWaalsContact OD1-N 3.14Å
220	P	91.1	Very high	84.9	Confident	3 Å²	3	41.6 Å²	41.6	2%	0.019	22%	0.216	C	C	.	.			trans	-86.7	3.9	-177.6	33.5	-33.5	0	0	0	112.3	V16 V191 V192	V16-P220 VanDerWaalsContact CG2-CD 3.48Å; V16-P220 HydrophobicContact CG2-CG 3.97Å; V191-P220 CarbonylContact C-O 3.51Å; V191-P220 VanDerWaalsContact CA-O 3.29Å; V191-P220 WeakPolarHBondContact CA-O 3.25Å; V191-P220 HydrophobicContact CG1-CB 4.12Å; V192-P220 HydrophobicContact CB-CB 4.31Å; V192-P220 WeakPolarHBondContact CG2-O 3.39Å; V192-P220 PolarHBondContact N-O 3.05Å
221	M	91.6	Very high	85.6	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	132.1	-179.9	-59.7	-65.5	103	0	0	111.8	L7 M8 A15 V19 V191 K214 D219	L7-M221 HydrophobicContact CG-CE 4.38Å; L7-M221 HydrophobicContact CG-SD 4.28Å; M8-M221 HydrophobicContact CE-CE 4.21Å; M8-M221 HydrophobicContact CE-SD 3.4Å; M8-M221 WeakPolarHBondContact CE-SD 3.47Å; M8-M221 HydrophobicContact SD-SD 4.05Å; A15-M221 HydrophobicContact CB-CE 4.09Å; A15-M221 HydrophobicContact CB-CG 3.56Å; A15-M221 HydrophobicContact CB-SD 4.15Å; V19-M221 HydrophobicContact CG2-CE 3.83Å; V191-M221 HydrophobicContact CB-CE 4.32Å; V191-M221 HydrophobicContact CG1-CE 3.99Å; V191-M221 HydrophobicContact CG2-CE 3.67Å; K214-M221 WeakPolarHBondContact CD-O 3.38Å; K214-M221 VanDerWaalsContact CE-O 3.28Å; K214-M221 WeakPolarHBondContact CE-O 3.38Å; K214-M221 PolarHBondContact NZ-O 2.94Å; D219-M221 VanDerWaalsContact C-N 3.28Å; D219-M221 PolarHBondContact OD1-N 3.19Å; D219-M221 VanDerWaalsContact OD1-N 3.14Å
222	L	92.1	Very high	86.1	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	141.1	172	-70.6	176.1	0	0	0	109.3	V180 L186 D189 G190 V192 L198 V200 K214 M235	V180-L222 HydrophobicContact CG2-CD1 4.49Å; L186-L222 HydrophobicContact CD1-CB 4.14Å; L186-L222 HydrophobicContact CD1-CD2 3.96Å; L186-L222 HydrophobicContact CD1-CG 4.5Å; D189-L222 CarbonylContact C-O 3.53Å; D189-L222 WeakPolarHBondContact CA-O 3.34Å; G190-L222 PolarHBondContact N-O 3.29Å; G190-L222 PolarHBondContact O-N 2.96Å; V192-L222 HydrophobicContact CG2-CD1 3.7Å; V192-L222 HydrophobicContact CG2-CD2 4.48Å; V192-L222 HydrophobicContact CG2-CG 3.81Å; L198-L222 HydrophobicContact CD2-CD1 4.14Å; L198-L222 HydrophobicContact CD2-CD2 4.14Å; V200-L222 HydrophobicContact CG2-CD2 3.68Å; K214-L222 HydrophobicContact CB-CD2 4.3Å; K214-L222 HydrophobicContact CD-CD2 4.42Å; K214-L222 HydrophobicContact CG-CD2 3.89Å; L222-M235 HydrophobicContact CB-SD 3.93Å; L222-M235 HydrophobicContact CD1-CB 3.75Å; L222-M235 HydrophobicContact CD1-CG 4.27Å; L222-M235 HydrophobicContact CD1-SD 3.66Å; L222-M235 HydrophobicContact CG-SD 4.47Å
223	L	91.1	Very high	86.3	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.186	C	C	.	.			trans	-125.6	136.6	-162.7	-54	172.7	0	0	0	112.1	L186 E202 L205 G225 T226 Q245	L186-L223 WeakPolarHBondContact CB-O 3.13Å; E202-L223 VanDerWaalsContact OE1-CD1 3.32Å; E202-L223 WeakPolarHBondContact OE1-CD1 3.45Å; L205-L223 HydrophobicContact CD1-CB 3.64Å; L205-L223 HydrophobicContact CD1-CD1 3.65Å; L205-L223 HydrophobicContact CD1-CG 4.27Å; L223-G225 PolarHBondContact O-N 2.82Å; L223-T226 HydrophobicContact CB-CG2 3.86Å; L223-T226 HydrophobicContact CD1-CG2 4.45Å; L223-T226 PolarHBondContact O-N 2.89Å; L223-T226 PolarHBondContact O-OG1 3.17Å; L223-Q245 HydrophobicContact CD2-CG 4.17Å
224	S	89.1	Confident	86.5	Confident	11 Å²	11	31.8 Å²	31.8	8%	0.077	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	131.3	170.5	-170.6	0	0	0	0	110.3	L186 D189 S244 A246	L186-S224 WeakPolarHBondContact O-CA 3.43Å; D189-S224 WeakPolarHBondContact OD1-CB 3.28Å; D189-S224 PolarHBondContact OD1-N 3.21Å; S224-S244 WeakPolarHBondContact CB-OG 3.31Å; S224-S244 PolarHBondContact OG-OG 2.92Å; S224-A246 WeakPolarHBondContact O-CB 3.36Å
225	G	81	Confident	86.7	Confident	24 Å²	24	31.7 Å²	31.7	25%	0.247	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.6	8.1	179	0	0	0	0	0	115.5	L186 S204 L223	L186-G225 PolarHBondContact O-N 3.27Å; S204-G225 WeakPolarHBondContact CB-O 3.25Å; S204-G225 PolarHBondContact OG-O 2.82Å; L223-G225 PolarHBondContact O-N 2.82Å
226	T	86	Confident	87.1	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.176	C	C	.	.			trans	-106.3	157.7	173.4	63.4	0	0	0	0	111.3	L186 V200 D201 E202 L205 L223	L186-T226 WeakPolarHBondContact CB-O 3.26Å; L186-T226 PolarHBondContact N-O 2.74Å; V200-T226 WeakPolarHBondContact CG1-OG1 3.37Å; D201-T226 VanDerWaalsContact O-CB 3.32Å; D201-T226 WeakPolarHBondContact O-CB 3.35Å; E202-T226 HydrophobicContact CB-CG2 4.23Å; E202-T226 HydrophobicContact CG-CG2 4.16Å; L205-T226 HydrophobicContact CD1-CG2 3.58Å; L205-T226 HydrophobicContact CG-CG2 4Å; L223-T226 HydrophobicContact CB-CG2 3.86Å; L223-T226 HydrophobicContact CD1-CG2 4.45Å; L223-T226 PolarHBondContact O-N 2.89Å; L223-T226 PolarHBondContact O-OG1 3.17Å
227	H	81.4	Confident	87.5	Confident	27 Å²	27	27.4 Å²	27.4	13%	0.125	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	135.5	-171.2	-61.4	-69.7	0	0	0	112.5	V200 D201 M229 V863 E866	V200-H227 CarbonylContact C-O 3.52Å; V200-H227 VanDerWaalsContact CA-O 3.31Å; V200-H227 WeakPolarHBondContact CA-O 3.39Å; V200-H227 WeakPolarHBondContact CG1-O 3.31Å; D201-H227 PolarHBondContact N-O 2.89Å; D201-H227 PolarHBondContact O-N 2.75Å; H227-M229 HydrophobicContact CB-SD 4.32Å; H227-M229 PolarHBondContact O-N 2.75Å; H227-V863 HydrophobicContact CB-CG2 3.74Å; H227-E866 IonicContact CE1-OE2 3.74Å
228	V	85.6	Confident	87.8	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	113.8	173.9	-171.8	0	0	0	0	109.6	V180 K181 G183 D184 L186 L198	V180-V228 HydrophobicContact CB-CG2 4.35Å; K181-V228 WeakPolarHBondContact O-CB 3.45Å; G183-V228 PolarHBondContact N-O 3.25Å; D184-V228 HydrophobicContact CB-CG2 4.33Å; D184-V228 PolarHBondContact O-N 2.94Å; L186-V228 HydrophobicContact CD1-CG2 4.17Å; L186-V228 HydrophobicContact CD2-CG2 3.77Å; L186-V228 HydrophobicContact CG-CG2 3.99Å; L198-V228 HydrophobicContact CD1-CG1 3.5Å
229	M	77.5	Confident	88.2	Confident	38 Å²	38	16.5 Å²	16.5	19%	0.187	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	-38.3	-176.1	-62.3	-56.3	-80	0	0	112.6	K199 D201 Q211 H227	K199-M229 PolarHBondContact O-N 3.09Å; D201-M229 HydrophobicContact CB-CG 3.62Å; D201-M229 HydrophobicContact CB-SD 4.06Å; Q211-M229 HydrophobicContact CG-CB 4.35Å; Q211-M229 HydrophobicContact CG-CG 4.38Å; H227-M229 HydrophobicContact CB-SD 4.32Å; H227-M229 PolarHBondContact O-N 2.75Å
230	E	80.4	Confident	88.3	Confident	85 Å²	85	16 Å²	16	40%	0.397	10%	0.097	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	158.9	178.8	-66	-178.6	-159.5	0	0	111.3	L198 K199	L198-E230 WeakPolarHBondContact CA-O 3.08Å; K199-E230 HydrophobicContact CB-CB 4.18Å; K199-E230 HydrophobicContact CD-CB 4.13Å; K199-E230 HydrophobicContact CD-CG 4.33Å; K199-E230 WeakPolarHBondContact CE-OE2 3.43Å; K199-E230 HydrophobicContact CG-CB 4.25Å; K199-E230 PolarHBondContact N-O 3.02Å; K199-E230 IonicContact NZ-OE1 2.76Å; K199-E230 PolarHBondContact NZ-OE1 2.81Å; K199-E230 IonicContact NZ-OE2 3.16Å; K199-E230 PolarHBondContact NZ-OE2 3.32Å; K199-E230 PolarHBondContact O-N 3.28Å
231	G	80.2	Confident	88.1	Confident	26 Å²	26	16 Å²	16	27%	0.268	10%	0.098	S	C	.	.	E	Extended strand (participates in β ladder)	trans	79.6	-161.9	174.4	0	0	0	0	0	114.9	Y182 N196	Y182-G231 PolarHBondContact N-O 3.05Å; Y182-G231 VanDerWaalsContact N-O 3.14Å; N196-G231 WeakPolarHBondContact O-CA 3.29Å
232	S	88.3	Confident	87.9	Confident	49 Å²	49	18.8 Å²	18.8	34%	0.343	12%	0.115	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	169.8	173.7	63.4	0	0	0	0	111.5	V180 N196	V180-S232 CarbonylContact O-C 3.47Å; V180-S232 VanDerWaalsContact O-CA 3.25Å; V180-S232 WeakPolarHBondContact O-CA 3.27Å; V180-S232 WeakPolarHBondContact O-CB 3.29Å; N196-S232 PolarHBondContact N-O 2.93Å; N196-S232 PolarHBondContact O-N 2.84Å; N196-S232 VanDerWaalsContact O-N 3.09Å
233	G	88.9	Confident	87.7	Confident	11 Å²	11	20.8 Å²	20.8	11%	0.113	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.8	-171.8	179	0	0	0	0	0	114.6	V180 Q194	V180-G233 PolarHBondContact N-O 2.95Å; V180-G233 PolarHBondContact O-N 2.9Å; Q194-G233 CarbonylContact O-C 3.6Å; Q194-G233 WeakPolarHBondContact O-CA 3.26Å
234	K	92.1	Very high	87.6	Confident	62 Å²	62	20.8 Å²	20.8	27%	0.27	13%	0.125	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	140.8	171.4	-57.4	-172.2	-179.7	176.3	0	108.6	I177 C178 L179 L193 Q194	I177-K234 HydrophobicContact CG2-CB 4.38Å; C178-K234 WeakPolarHBondContact O-CA 3.06Å; L179-K234 HydrophobicContact CD2-CB 4.48Å; L179-K234 HydrophobicContact CD2-CD 4.07Å; L179-K234 HydrophobicContact CD2-CG 3.73Å; L193-K234 HydrophobicContact CB-CB 4.17Å; L193-K234 PolarHBondContact N-O 3.37Å; Q194-K234 HydrophobicContact CB-CB 4.25Å; Q194-K234 HydrophobicContact CB-CD 4.46Å; Q194-K234 HydrophobicContact CB-CG 4.26Å; Q194-K234 PolarHBondContact N-O 2.92Å; Q194-K234 PolarHBondContact O-N 3.48Å
235	M	93.1	Very high	87.3	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	145.1	174.6	75.6	178.7	-142.7	0	0	111.9	I177 C178 V180 L186 A188 V191 L222 V237	I177-M235 CarbonylContact C-O 3.51Å; I177-M235 VanDerWaalsContact CA-O 3.26Å; I177-M235 WeakPolarHBondContact CA-O 3.47Å; C178-M235 HydrophobicContact CB-CE 4.2Å; C178-M235 HydrophobicContact CB-CG 3.89Å; C178-M235 PolarHBondContact N-O 3.37Å; C178-M235 PolarHBondContact O-N 3.11Å; V180-M235 HydrophobicContact CG1-CG 4.21Å; V180-M235 HydrophobicContact CG1-SD 3.96Å; L186-M235 HydrophobicContact CD2-SD 4.36Å; A188-M235 WeakPolarHBondContact O-CE 3.49Å; V191-M235 CarbonylContact O-C 3.23Å; V191-M235 WeakPolarHBondContact O-CA 3.36Å; L222-M235 HydrophobicContact CB-SD 3.93Å; L222-M235 HydrophobicContact CD1-CB 3.75Å; L222-M235 HydrophobicContact CD1-CG 4.27Å; L222-M235 HydrophobicContact CD1-SD 3.66Å; L222-M235 HydrophobicContact CG-SD 4.47Å; M235-V237 HydrophobicContact CE-CG2 4.19Å
236	V	94.4	Very high	87.2	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	127.2	167.7	61	0	0	0	0	109.6	L29 L33 T35 D176 G190 V191 L193	L29-V236 HydrophobicContact CD2-CG1 4.12Å; L33-V236 HydrophobicContact CD1-CG2 3.84Å; T35-V236 HydrophobicContact CG2-CG2 3.95Å; D176-V236 WeakPolarHBondContact O-CA 3.1Å; G190-V236 CarbonylContact C-O 3.47Å; G190-V236 WeakPolarHBondContact CA-O 3.49Å; V191-V236 HydrophobicContact CB-CG1 4.01Å; V191-V236 PolarHBondContact N-O 2.84Å; V191-V236 PolarHBondContact O-N 3.05Å; L193-V236 HydrophobicContact CD1-CB 4.17Å; L193-V236 HydrophobicContact CD2-CB 4.12Å; L193-V236 HydrophobicContact CD2-CG1 3.79Å; L193-V236 HydrophobicContact CG-CB 4.24Å; L193-V236 HydrophobicContact CG-CG1 4.32Å
237	V	94.4	Very high	86.8	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	134.7	-179.7	-179.7	0	0	0	0	110.3	I172 G175 D176 C178 A188 M235 V240	I172-V237 HydrophobicContact CG2-CG1 4.32Å; I172-V237 HydrophobicContact CG2-CG2 3.91Å; G175-V237 PolarHBondContact N-O 3.09Å; D176-V237 HydrophobicContact CB-CG2 4.16Å; D176-V237 PolarHBondContact O-N 2.83Å; C178-V237 VanDerWaalsContact SG-CG2 3.55Å; A188-V237 HydrophobicContact CB-CG1 3.76Å; M235-V237 HydrophobicContact CE-CG2 4.19Å; V237-V240 HydrophobicContact CG1-CG1 3.6Å
238	T	92.3	Very high	86.7	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	-31.2	-178.5	62.3	0	0	0	0	114.3	L4 M8 L29 V174 D189 V191	L4-T238 WeakPolarHBondContact CD1-O 3.27Å; L4-T238 HydrophobicContact CD2-CG2 4.42Å; M8-T238 HydrophobicContact CE-CG2 4.21Å; M8-T238 VanDerWaalsContact CE-OG1 3.29Å; M8-T238 WeakPolarHBondContact CE-OG1 3.38Å; M8-T238 PolarHBondContact SD-OG1 2.87Å; L29-T238 HydrophobicContact CD2-CG2 4.18Å; V174-T238 WeakPolarHBondContact CG2-O 3.5Å; D189-T238 PolarHBondContact O-N 2.97Å; D189-T238 PolarHBondContact O-OG1 3.37Å; V191-T238 HydrophobicContact CG2-CG2 3.83Å
239	A	92	Very high	86.1	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	141	175	0	0	0	0	0	112	M1 A188 D189 N243	M1-A239 HydrophobicContact CE-CB 3.85Å; A188-A239 WeakPolarHBondContact CB-O 3.4Å; D189-A239 HydrophobicContact CB-CB 4.19Å; D189-A239 PolarHBondContact N-O 3.31Å; D189-A239 PolarHBondContact O-N 3.03Å; A239-N243 HydrophobicContact CB-CB 4.42Å
240	V	92.2	Very high	85.7	Confident	0 Å²	0	30 Å²	30	0%	0	17%	0.165	C	C	.	.			trans	-131.9	151.9	-171.6	-66.9	0	0	0	0	111.5	N56 V174 A188 V237 V242 N243	N56-V240 HydrophobicContact CB-CB 3.86Å; N56-V240 HydrophobicContact CB-CG1 4.14Å; N56-V240 VanDerWaalsContact OD1-CA 3.29Å; N56-V240 WeakPolarHBondContact OD1-CA 3.48Å; N56-V240 VanDerWaalsContact OD1-CB 3.31Å; N56-V240 WeakPolarHBondContact OD1-CB 3.34Å; V174-V240 HydrophobicContact CG2-CG1 4.21Å; V174-V240 HydrophobicContact CG2-CG2 4.07Å; A188-V240 HydrophobicContact CB-CG1 4.08Å; V237-V240 HydrophobicContact CG1-CG1 3.6Å; V240-V242 PolarHBondContact O-N 3.48Å; V240-N243 WeakPolarHBondContact O-CB 3.26Å; V240-N243 PolarHBondContact O-N 3.42Å; V240-N243 VanDerWaalsContact O-N 3.1Å
241	G	87.2	Confident	85.2	Confident	2 Å²	2	29.3 Å²	29.3	2%	0.021	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	55.4	-134.3	175.3	0	0	0	0	0	112.5	N56 N243 S244 G247	N56-G241 PolarHBondContact OD1-N 3.47Å; G241-N243 PolarHBondContact O-N 3.07Å; G241-S244 PolarHBondContact O-N 3.22Å; G241-S244 VanDerWaalsContact O-N 3.09Å; G241-S244 PolarHBondContact O-OG 2.94Å; G241-S244 VanDerWaalsContact O-OG 3.13Å; G241-G247 WeakPolarHBondContact O-CA 3.46Å
242	V	86	Confident	84.7	Confident	60 Å²	60	32.5 Å²	32.5	36%	0.364	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-58.3	-13	178.2	-61.3	0	0	0	0	115	P59 V240	P59-V242 VanDerWaalsContact CD-CG1 3.48Å; P59-V242 HydrophobicContact CG-CG1 4.27Å; V240-V242 PolarHBondContact O-N 3.48Å
243	N	88.6	Confident	83.5	Confident	41 Å²	41	34 Å²	34	22%	0.219	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-90.5	-10.7	178.6	-65.9	-60.3	0	0	0	114.2	M1 Q5 F53 A239 V240 G241	M1-N243 HydrophobicContact CE-CB 3.47Å; M1-N243 VanDerWaalsContact CE-CB 3.47Å; Q5-N243 PolarHBondContact NE2-OD1 2.77Å; Q5-N243 VanDerWaalsContact NE2-OD1 3.09Å; F53-N243 PolarHBondContact O-ND2 3.24Å; A239-N243 HydrophobicContact CB-CB 4.42Å; V240-N243 WeakPolarHBondContact O-CB 3.26Å; V240-N243 PolarHBondContact O-N 3.42Å; V240-N243 VanDerWaalsContact O-N 3.1Å; G241-N243 PolarHBondContact O-N 3.07Å
244	S	87.9	Confident	81.7	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.196	C	C	.	.	S	Bend	trans	-77.3	164.8	176.4	76.8	0	0	0	0	111.8	D189 S224 G241 A246 G247 I248	D189-S244 WeakPolarHBondContact OD2-CA 3.32Å; S224-S244 WeakPolarHBondContact CB-OG 3.31Å; S224-S244 PolarHBondContact OG-OG 2.92Å; G241-S244 PolarHBondContact O-N 3.22Å; G241-S244 VanDerWaalsContact O-N 3.09Å; G241-S244 PolarHBondContact O-OG 2.94Å; G241-S244 VanDerWaalsContact O-OG 3.13Å; S244-A246 VanDerWaalsContact C-N 3.31Å; S244-A246 PolarHBondContact O-N 3.4Å; S244-G247 PolarHBondContact O-N 2.67Å; S244-G247 VanDerWaalsContact O-N 3.11Å; S244-G247 PolarHBondContact OG-N 3.33Å; S244-I248 VanDerWaalsContact O-CG1 3.29Å; S244-I248 WeakPolarHBondContact O-CG1 3.49Å; S244-I248 PolarHBondContact O-N 2.92Å
245	Q	82.8	Confident	79.6	Confident	28 Å²	28	35.8 Å²	35.8	13%	0.131	21%	0.211	C	C	.	.	H	α-helix	trans	-57.3	-44.9	177.4	-62.6	-49.9	-68.9	0	0	111.7	M8 D189 L223 I248 I249	M8-Q245 HydrophobicContact CB-CG 4.26Å; D189-Q245 PolarHBondContact OD2-N 3.23Å; L223-Q245 HydrophobicContact CD2-CG 4.17Å; Q245-I248 PolarHBondContact O-N 2.94Å; Q245-I249 WeakPolarHBondContact O-CD1 3.44Å; Q245-I249 WeakPolarHBondContact O-CG1 3.35Å; Q245-I249 PolarHBondContact O-N 2.65Å
246	A	79.2	Confident	77.1	Confident	21 Å²	21	41.1 Å²	41.1	17%	0.174	24%	0.244	C	C	.	.	H	α-helix	trans	-63.1	-42	173.9	0	0	0	0	0	112.4	L205 S224 S244 I248 I249 F250	L205-A246 HydrophobicContact CD2-CB 4.34Å; S224-A246 WeakPolarHBondContact O-CB 3.36Å; S244-A246 VanDerWaalsContact C-N 3.31Å; S244-A246 PolarHBondContact O-N 3.4Å; A246-I248 PolarHBondContact O-N 2.86Å; A246-I249 PolarHBondContact O-N 2.91Å; A246-F250 WeakPolarHBondContact O-CB 3.4Å; A246-F250 PolarHBondContact O-N 3.03Å
247	G	78.8	Confident	74.5	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-62.5	-39.6	176.9	0	0	0	0	0	113.4	G241 S244 T251	G241-G247 WeakPolarHBondContact O-CA 3.46Å; S244-G247 PolarHBondContact O-N 2.67Å; S244-G247 VanDerWaalsContact O-N 3.11Å; S244-G247 PolarHBondContact OG-N 3.33Å; G247-T251 VanDerWaalsContact O-CB 3.32Å; G247-T251 WeakPolarHBondContact O-CB 3.48Å; G247-T251 PolarHBondContact O-N 2.81Å; G247-T251 PolarHBondContact O-OG1 3.44Å
248	I	79.7	Confident	71.7	Confident	54 Å²	54	50 Å²	50	28%	0.277	30%	0.297	S	S	.	.	H	α-helix	trans	-65.5	-48.4	175.4	-68.5	164.3	0	0	0	110.2	S244 Q245 A246 F250 T251 L252	S244-I248 VanDerWaalsContact O-CG1 3.29Å; S244-I248 WeakPolarHBondContact O-CG1 3.49Å; S244-I248 PolarHBondContact O-N 2.92Å; Q245-I248 PolarHBondContact O-N 2.94Å; A246-I248 PolarHBondContact O-N 2.86Å; I248-F250 PolarHBondContact O-N 3.39Å; I248-T251 PolarHBondContact O-N 3.11Å; I248-L252 HydrophobicContact CG2-CD1 4Å; I248-L252 VanDerWaalsContact O-CG 3.31Å; I248-L252 WeakPolarHBondContact O-CG 3.38Å; I248-L252 PolarHBondContact O-N 2.79Å
249	I	73.1	Confident	68.9	Low	76 Å²	76	57.1 Å²	57.1	39%	0.39	34%	0.335	S	S	.	.	H	α-helix	trans	-60.2	-46.1	177.8	-69.2	163.6	0	0	0	110.9	L205 Q245 A246 T251 L252 L253	L205-I249 HydrophobicContact CD2-CD1 3.82Å; Q245-I249 WeakPolarHBondContact O-CD1 3.44Å; Q245-I249 WeakPolarHBondContact O-CG1 3.35Å; Q245-I249 PolarHBondContact O-N 2.65Å; A246-I249 PolarHBondContact O-N 2.91Å; I249-T251 PolarHBondContact O-N 3.29Å; I249-L252 PolarHBondContact O-N 2.94Å; I249-L253 HydrophobicContact CG2-CD1 3.98Å; I249-L253 HydrophobicContact CG2-CG 4.48Å; I249-L253 WeakPolarHBondContact O-CG 3.49Å; I249-L253 PolarHBondContact O-N 3.35Å
250	F	67.1	Low	66	Low	115 Å²	115	61.3 Å²	61.3	50%	0.504	38%	0.378	S	S	.	.	H	α-helix	trans	-64.1	-39.9	179.3	-163.6	-91	0	0	0	112.2	I58 A246 I248 L253 G254	I58-F250 HydrophobicContact CG2-CD1 3.55Å; I58-F250 HydrophobicContact CG2-CE1 4.04Å; I58-F250 HydrophobicContact CG2-CG 4.21Å; A246-F250 WeakPolarHBondContact O-CB 3.4Å; A246-F250 PolarHBondContact O-N 3.03Å; I248-F250 PolarHBondContact O-N 3.39Å; F250-L253 PolarHBondContact O-N 2.78Å; F250-G254 PolarHBondContact O-N 3.49Å
251	T	70.6	Confident	63.1	Low	71 Å²	71	66.3 Å²	66.3	44%	0.436	41%	0.413	S	S	.	.	H	α-helix	trans	-64.8	-41.2	175.7	-56.3	0	0	0	0	111.6	G247 I248 I249 A255	G247-T251 VanDerWaalsContact O-CB 3.32Å; G247-T251 WeakPolarHBondContact O-CB 3.48Å; G247-T251 PolarHBondContact O-N 2.81Å; G247-T251 PolarHBondContact O-OG1 3.44Å; I248-T251 PolarHBondContact O-N 3.11Å; I249-T251 PolarHBondContact O-N 3.29Å; T251-A255 WeakPolarHBondContact O-CB 3.48Å; T251-A255 PolarHBondContact O-N 3.42Å
252	L	70.7	Confident	60.3	Low	93 Å²	93	72.4 Å²	72.4	49%	0.487	46%	0.455	S	S	.	.	H	α-helix	trans	-66.4	-40.8	176	-70.3	171.1	0	0	0	112.1	I248 I249 A255 T256	I248-L252 HydrophobicContact CG2-CD1 4Å; I248-L252 VanDerWaalsContact O-CG 3.31Å; I248-L252 WeakPolarHBondContact O-CG 3.38Å; I248-L252 PolarHBondContact O-N 2.79Å; I249-L252 PolarHBondContact O-N 2.94Å; L252-A255 PolarHBondContact O-N 2.93Å; L252-T256 PolarHBondContact O-N 3.09Å; L252-T256 VanDerWaalsContact O-N 3.15Å
253	L	61.5	Low	57.7	Low	79 Å²	79	74 Å²	74	41%	0.414	48%	0.475	S	S	.	.	H	α-helix	trans	-62.5	-49.2	175.1	-72.5	170.2	0	0	0	111.2	I249 F250 A255 T256 E257	I249-L253 HydrophobicContact CG2-CD1 3.98Å; I249-L253 HydrophobicContact CG2-CG 4.48Å; I249-L253 WeakPolarHBondContact O-CG 3.49Å; I249-L253 PolarHBondContact O-N 3.35Å; F250-L253 PolarHBondContact O-N 2.78Å; L253-A255 VanDerWaalsContact C-N 3.28Å; L253-A255 PolarHBondContact O-N 2.89Å; L253-T256 PolarHBondContact O-N 2.81Å; L253-T256 PolarHBondContact O-OG1 3.05Å; L253-E257 PolarHBondContact O-N 2.86Å
254	G	51.7	Low	54.7	Low	42 Å²	42	76.7 Å²	76.7	43%	0.433	50%	0.503	S	S	.	.	H	α-helix	trans	-58.2	-38.3	175.4	0	0	0	0	0	113.1	F250 T256 E257 G258	F250-G254 PolarHBondContact O-N 3.49Å; G254-T256 VanDerWaalsContact C-N 3.25Å; G254-T256 PolarHBondContact O-N 3.23Å; G254-E257 PolarHBondContact O-N 2.83Å; G254-G258 PolarHBondContact O-N 3.12Å; G254-G258 VanDerWaalsContact O-N 3.09Å
255	A	48.6	Very low	52.1	Low	70 Å²	70	81 Å²	81	58%	0.579	53%	0.531	S	S	*	.	H	α-helix	trans	-68.4	-18.7	174.7	0	0	0	0	0	114.1	T251 L252 L253	T251-A255 WeakPolarHBondContact O-CB 3.48Å; T251-A255 PolarHBondContact O-N 3.42Å; L252-A255 PolarHBondContact O-N 2.93Å; L253-A255 VanDerWaalsContact C-N 3.28Å; L253-A255 PolarHBondContact O-N 2.89Å
256	T	40.2	Very low	49.7	Very low	112 Å²	112	85.1 Å²	85.1	69%	0.687	56%	0.56	S	S	*	*	H	α-helix	trans	-88.6	-11	172.4	56.7	0	0	0	0	114.5	L252 L253 G254	L252-T256 PolarHBondContact O-N 3.09Å; L252-T256 VanDerWaalsContact O-N 3.15Å; L253-T256 PolarHBondContact O-N 2.81Å; L253-T256 PolarHBondContact O-OG1 3.05Å; G254-T256 VanDerWaalsContact C-N 3.25Å; G254-T256 PolarHBondContact O-N 3.23Å
257	E	39.9	Very low	47.2	Very low	140 Å²	140	89.1 Å²	89.1	65%	0.654	59%	0.585	S	S	*	*	H	α-helix	trans	-107.8	-15.4	177.3	-60.1	-163.1	150.7	0	0	113.6	L253 G254 H348	L253-E257 PolarHBondContact O-N 2.86Å; G254-E257 PolarHBondContact O-N 2.83Å; E257-H348 IonicContact OE1-CE1 3.33Å; E257-H348 IonicContact OE1-NE2 2.7Å
258	G	35.9	Very low	45	Very low	45 Å²	45	95.1 Å²	95.1	46%	0.464	62%	0.623	S	S	.	*	S	Bend	trans	-86.3	143.4	169.7	0	0	0	0	0	113.4	G254 G260	G254-G258 PolarHBondContact O-N 3.12Å; G254-G258 VanDerWaalsContact O-N 3.09Å; G258-G260 PolarHBondContact O-N 2.99Å
259	D	34.2	Very low	42.7	Very low	150 Å²	150	98 Å²	98	80%	0.802	64%	0.638	S	S	*	*			trans	-66.6	85.7	-176.9	-77.5	-54.5	0	0	0	114	S261	D259-S261 WeakPolarHBondContact O-CB 3.39Å; D259-S261 PolarHBondContact O-N 2.76Å; D259-S261 PolarHBondContact O-OG 3.11Å
260	G	29.7	Very low	40.5	Very low	88 Å²	88	101.5 Å²	101.5	91%	0.907	66%	0.657	S	S	*	*	S	Bend	trans	58.7	13.2	140.7	0	0	0	0	0	119.2	G258	G258-G260 PolarHBondContact O-N 2.99Å
261	S	31.4	Very low	38.8	Very low	105 Å²	105	100.9 Å²	100.9	73%	0.734	66%	0.659	S	S	*	*			trans	-138.7	124.5	-168.1	52.1	0	0	0	0	114.7	D259	D259-S261 WeakPolarHBondContact O-CB 3.39Å; D259-S261 PolarHBondContact O-N 2.76Å; D259-S261 PolarHBondContact O-OG 3.11Å
262	S	27.8	Very low	36.9	Very low	130 Å²	130	101.3 Å²	101.3	91%	0.909	67%	0.669	S	S	*	*	S	Bend	trans	61.4	49.1	158.2	-162.5	0	0	0	0	119.7
263	A	31.6	Very low	34.9	Very low	94 Å²	94	102.6 Å²	102.6	78%	0.777	68%	0.677	S	S	*	*			trans	-142.5	112.1	143.5	0	0	0	0	0	109.7
264	A	26.9	Very low	33.6	Very low	97 Å²	97	101.6 Å²	101.6	80%	0.802	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-74.5	126.4	173.8	0	0	0	0	0	109.2
265	P	32.4	Very low	32.8	Very low	91 Å²	91	106.5 Å²	106.5	59%	0.591	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-63.9	153.2	172.2	28.6	-34.5	0	0	0	110
266	P	32.2	Very low	31.9	Very low	114 Å²	114	110.4 Å²	110.4	74%	0.74	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-56.8	138.4	167.7	26.6	-33.8	0	0	0	109.1
267	P	28.4	Very low	31.5	Very low	106 Å²	106	113.9 Å²	113.9	69%	0.688	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-62.2	142.5	-176.6	25.6	-34.4	0	0	0	110.6	I269	P267-I269 PolarHBondContact O-N 3.5Å
268	P	31.8	Very low	31.1	Very low	125 Å²	125	113.1 Å²	113.1	81%	0.812	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-60.1	125.7	177.5	25.4	-33.7	0	0	0	109.7	N270	P268-N270 PolarHBondContact O-N 2.69Å
269	I	30.8	Very low	30.8	Very low	116 Å²	116	119.5 Å²	119.5	60%	0.595	74%	0.736	S	S	*	*			trans	-75.8	101.4	-177.3	-56.9	179.6	0	0	0	108.4	P267 L271	P267-I269 PolarHBondContact O-N 3.5Å; I269-L271 HydrophobicContact CG2-CD1 4.16Å; I269-L271 HydrophobicContact CG2-CG 4.05Å; I269-L271 PolarHBondContact O-N 3.22Å
270	N	28.2	Very low	30.6	Very low	148 Å²	148	120.1 Å²	120.1	79%	0.791	74%	0.738	S	S	*	*			trans	-77.3	86.4	180	-147.1	4	0	0	0	109.6	P268 A272	P268-N270 PolarHBondContact O-N 2.69Å; N270-A272 PolarHBondContact O-N 3.19Å; N270-A272 VanDerWaalsContact O-N 3.1Å
271	L	29.6	Very low	30.6	Very low	103 Å²	103	121.3 Å²	121.3	54%	0.539	73%	0.732	S	S	.	*	G	3₁₀ helix	trans	-72.5	4.6	-170.2	-101.8	145.8	0	0	0	115.4	I269 N273 A274	I269-L271 HydrophobicContact CG2-CD1 4.16Å; I269-L271 HydrophobicContact CG2-CG 4.05Å; I269-L271 PolarHBondContact O-N 3.22Å; L271-N273 PolarHBondContact O-N 3.41Å; L271-N273 VanDerWaalsContact O-N 3.1Å; L271-A274 HydrophobicContact CD2-CB 4.39Å; L271-A274 WeakPolarHBondContact O-CB 3.43Å; L271-A274 PolarHBondContact O-N 3.09Å
272	A	31.7	Very low	30.5	Very low	79 Å²	79	127.2 Å²	127.2	65%	0.653	74%	0.738	S	S	*	*	G	3₁₀ helix	trans	-59.1	-22.5	-176.3	0	0	0	0	0	115.1	N270	N270-A272 PolarHBondContact O-N 3.19Å; N270-A272 VanDerWaalsContact O-N 3.1Å
273	N	29.4	Very low	30.7	Very low	120 Å²	120	128.5 Å²	128.5	64%	0.642	74%	0.735	S	S	*	*	G	3₁₀ helix	trans	-92.6	12.9	-177.7	-71	54.2	0	0	0	114.1	L271 N275	L271-N273 PolarHBondContact O-N 3.41Å; L271-N273 VanDerWaalsContact O-N 3.1Å; N273-N275 PolarHBondContact O-N 2.86Å
274	A	33.9	Very low	30.8	Very low	58 Å²	58	130.7 Å²	130.7	48%	0.479	74%	0.739	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.2	-15.8	-176.9	0	0	0	0	0	115.1	L271	L271-A274 HydrophobicContact CD2-CB 4.39Å; L271-A274 WeakPolarHBondContact O-CB 3.43Å; L271-A274 PolarHBondContact O-N 3.09Å
275	N	33.6	Very low	31	Very low	145 Å²	145	133.6 Å²	133.6	78%	0.775	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.2	-13.3	-170	-72.3	-11.2	0	0	0	115.5	N273	N273-N275 PolarHBondContact O-N 2.86Å
276	E	31	Very low	31	Very low	152 Å²	152	134.4 Å²	134.4	71%	0.71	75%	0.746	S	S	*	*	S	Bend	trans	-85.3	-10.2	-173.3	-66.5	-174.2	128.4	0	0	114.6	T278	E276-T278 VanDerWaalsContact C-N 3.26Å; E276-T278 PolarHBondContact O-N 3.12Å; E276-T278 VanDerWaalsContact O-N 3.11Å
277	M	30.5	Very low	30.9	Very low	186 Å²	186	134.1 Å²	134.1	92%	0.916	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	25.2	-173.7	-76.3	-167.3	157.5	0	0	115.6
278	T	32.1	Very low	31.1	Very low	123 Å²	123	136.9 Å²	136.9	76%	0.755	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.4	-9.8	-173.2	-25.2	0	0	0	0	115.8	E276	E276-T278 VanDerWaalsContact C-N 3.26Å; E276-T278 PolarHBondContact O-N 3.12Å; E276-T278 VanDerWaalsContact O-N 3.11Å
279	E	30.6	Very low	31	Very low	179 Å²	179	138.2 Å²	138.2	84%	0.836	75%	0.746	S	S	*	*	S	Bend	trans	-105.9	-15.9	-173.7	-66.5	-156.2	123.8	0	0	116.2	S281	E279-S281 VanDerWaalsContact C-N 3.25Å; E279-S281 PolarHBondContact O-N 3.24Å
280	I	29	Very low	30.9	Very low	163 Å²	163	138.3 Å²	138.3	84%	0.836	75%	0.748	S	S	*	*	S	Bend	trans	-83.4	62.3	-175.4	-45.2	-177.5	0	0	0	111.8
281	S	29.5	Very low	31.2	Very low	113 Å²	113	140.5 Å²	140.5	79%	0.79	75%	0.746	S	S	*	*	S	Bend	trans	-164.2	54.2	166.6	-84.1	0	0	0	0	113.7	E279	E279-S281 VanDerWaalsContact C-N 3.25Å; E279-S281 PolarHBondContact O-N 3.24Å
282	R	29.4	Very low	31.4	Very low	230 Å²	230	142 Å²	142	87%	0.868	76%	0.755	S	S	*	*			trans	-158.9	142.8	160	-100.5	140.7	-166.8	-162.5	4.4	110
283	N	33.2	Very low	31.5	Very low	157 Å²	157	144.1 Å²	144.1	84%	0.84	76%	0.76	S	S	*	*			trans	66	141	-167.2	-52.2	-28.6	0	0	0	112.7
284	T	32.6	Very low	31.8	Very low	140 Å²	140	145 Å²	145	86%	0.859	77%	0.765	S	S	*	*			cis	-144.6	179.9	7.1	-20.3	0	0	0	0	111.9
285	N	31.5	Very low	31.8	Very low	157 Å²	157	145.4 Å²	145.4	84%	0.84	78%	0.775	S	S	*	*			trans	-70.6	167.9	-171.4	-96.1	-19.6	0	0	0	115.7
286	P	32.9	Very low	31.8	Very low	109 Å²	109	146 Å²	146	71%	0.708	77%	0.77	S	S	*	*			trans	-99.4	161.4	-156.2	38.1	-37.7	0	0	0	116.2
287	S	30.1	Very low	31.9	Very low	108 Å²	108	145.8 Å²	145.8	76%	0.755	77%	0.769	S	S	*	*				166.4	156.7	125	49.6	0	0	0	0	115.4
288	Q	31	Very low	32	Very low	163 Å²	163	143.9 Å²	143.9	76%	0.762	76%	0.758	S	S	*	*			trans	68.4	112.4	151.8	-74.5	171.3	-7.9	0	0	124.2
289	Q	30.8	Very low	32	Very low	154 Å²	154	145.2 Å²	145.2	72%	0.72	76%	0.755	S	S	*	*				75.7	106.4	121.5	-68.5	176.6	-27.8	0	0	124.7
290	N	27.7	Very low	32.1	Very low	117 Å²	117	144.3 Å²	144.3	63%	0.626	75%	0.751	S	S	*	*				67.1	154.5	119.7	-65.9	14	0	0	0	125.5
291	Y	34.2	Very low	32.2	Very low	195 Å²	195	142.5 Å²	142.5	77%	0.765	74%	0.742	S	S	*	*			trans	75.8	145.1	164.9	-48.8	-69.9	0	0	0	116.6
292	D	34.3	Very low	32.4	Very low	133 Å²	133	143.2 Å²	143.2	71%	0.711	74%	0.737	S	S	*	*			cis	-172.7	169.6	-15.4	-101.1	-4.4	0	0	0	106.8
293	T	35.2	Very low	32.6	Very low	125 Å²	125	141 Å²	141	77%	0.767	73%	0.733	S	S	*	*			cis	-161.4	174.9	-8.5	22.4	0	0	0	0	106.1
294	D	34.8	Very low	32.7	Very low	138 Å²	138	140.5 Å²	140.5	74%	0.738	73%	0.731	S	S	*	*			cis	-138.5	-122.5	0.2	173.3	-114.6	0	0	0	107.4
295	G	33.6	Very low	33.1	Very low	67 Å²	67	138.5 Å²	138.5	69%	0.691	72%	0.72	S	S	*	*			trans	148	-27.7	156.8	0	0	0	0	0	119.5
296	K	34.4	Very low	33.1	Very low	158 Å²	158	137.6 Å²	137.6	69%	0.687	72%	0.715	S	S	*	*			trans	58.1	117.6	174	-66	-177.8	-179.2	178.2	0	121.6
297	Q	33	Very low	33.2	Very low	146 Å²	146	138.5 Å²	138.5	68%	0.682	71%	0.714	S	S	*	*				67	146.3	122.2	-62.8	171.8	-37.7	0	0	120.2
298	Q	33.2	Very low	33.3	Very low	147 Å²	147	140.4 Å²	140.4	69%	0.687	71%	0.711	S	S	*	*			cis	-159.6	148.7	-4.3	-114.1	160.3	-26.7	0	0	109.2
299	H	30.8	Very low	33.5	Very low	150 Å²	150	137.7 Å²	137.7	69%	0.694	71%	0.706	S	S	*	*				47.6	146.4	104.7	-74.3	-128.7	0	0	0	116.8
300	E	32.5	Very low	33.5	Very low	160 Å²	160	138.2 Å²	138.2	75%	0.748	71%	0.714	S	S	*	*			cis	-145.4	-147.5	10.5	-130.7	163.6	-110.3	0	0	114.7
301	I	32.4	Very low	33.7	Very low	125 Å²	125	136.7 Å²	136.7	64%	0.641	73%	0.725	S	S	*	*			trans	-156.9	161.4	-131.1	-87.6	152.2	0	0	0	116
302	N	32.5	Very low	33.4	Very low	129 Å²	129	134.5 Å²	134.5	69%	0.69	73%	0.727	S	S	*	*			trans	70.2	159.2	164.6	-87.4	-43.9	0	0	0	117.6
303	K	34.3	Very low	33.4	Very low	182 Å²	182	136.8 Å²	136.8	79%	0.791	73%	0.731	S	S	*	*			cis	-138.7	151.7	6	-93	116.8	-175.4	179.6	0	109
304	N	34.4	Very low	33.2	Very low	148 Å²	148	139.1 Å²	139.1	79%	0.791	73%	0.732	S	S	*	*				81.1	151.3	61.4	-108.5	24.9	0	0	0	115.5
305	P	41.1	Very low	32.9	Very low	98 Å²	98	137.3 Å²	137.3	64%	0.636	73%	0.731	S	S	*	*			trans	-134.5	-171.5	-130.9	42.8	-24.5	0	0	0	116
306	N	32.8	Very low	32.8	Very low	137 Å²	137	140.9 Å²	140.9	73%	0.733	74%	0.739	S	S	*	*			trans	171	167.1	133.4	-89.4	-4.4	0	0	0	113.9
307	D	33.4	Very low	32.4	Very low	129 Å²	129	143.6 Å²	143.6	69%	0.69	75%	0.751	S	S	*	*			trans	67.8	148.7	153.5	-72.2	-9.5	0	0	0	121.1
308	Q	33.2	Very low	32.2	Very low	147 Å²	147	140.5 Å²	140.5	69%	0.687	76%	0.758	S	S	*	*			cis	-164.6	166.9	-28.1	-129.6	-179.7	81.3	0	0	111.1
309	T	34.1	Very low	31.8	Very low	106 Å²	106	137.7 Å²	137.7	65%	0.65	77%	0.768	S	S	*	*			trans	62	119.9	156.1	53.4	0	0	0	0	123.4
310	N	31.8	Very low	31.7	Very low	166 Å²	166	134.1 Å²	134.1	89%	0.888	77%	0.773	S	S	*	*				43.1	126.6	128.4	-61.1	-19.1	0	0	0	123
311	G	32.2	Very low	31.4	Very low	84 Å²	84	135.9 Å²	135.9	87%	0.866	78%	0.78	S	S	*	*			trans	-176.1	120.2	155.5	0	0	0	0	0	113.5
312	N	28.4	Very low	31.3	Very low	150 Å²	150	136.3 Å²	136.3	80%	0.802	79%	0.788	S	S	*	*			trans	-135.6	122	-175.9	178	5.4	0	0	0	111.5
313	K	32.6	Very low	30.8	Very low	180 Å²	180	134.4 Å²	134.4	78%	0.783	79%	0.791	S	S	*	*			trans	168.3	136.5	141	-94.5	160	-176.3	179.1	0	115.3
314	H	31.6	Very low	30.5	Very low	174 Å²	174	135.2 Å²	135.2	81%	0.806	80%	0.795	S	S	*	*			trans	41.8	123.8	144.1	-71.6	-49.9	0	0	0	124.3
315	S	27.5	Very low	30	Very low	101 Å²	101	133.4 Å²	133.4	71%	0.706	79%	0.794	S	S	*	*				67.3	115.1	121.5	-164.3	0	0	0	0	120.9
316	T	32	Very low	29.4	Very low	141 Å²	141	132 Å²	132	87%	0.865	80%	0.796	S	S	*	*				-169.9	173.9	107.4	19.4	0	0	0	0	111.8
317	K	27.3	Very low	29.3	Very low	216 Å²	216	132.6 Å²	132.6	94%	0.939	81%	0.805	S	S	*	*			trans	-76.2	143.8	-179.5	-61	173	179.6	176.2	0	111.8
318	G	28	Very low	28.9	Very low	80 Å²	80	131.2 Å²	131.2	83%	0.825	81%	0.806	S	S	*	*			trans	-161.6	127	163.7	0	0	0	0	0	110.7
319	G	24.9	Very low	28.7	Very low	88 Å²	88	131.8 Å²	131.8	91%	0.907	81%	0.813	S	S	*	*			trans	-98.2	144.3	171.2	0	0	0	0	0	110.3
320	G	27.8	Very low	28.5	Very low	76 Å²	76	132.2 Å²	132.2	78%	0.784	82%	0.816	S	S	*	*			trans	-153.6	129.3	178.4	0	0	0	0	0	112
321	H	26.5	Very low	28.4	Very low	196 Å²	196	131.3 Å²	131.3	91%	0.907	82%	0.816	S	S	*	*			trans	-69.2	136.8	165.3	-96.3	-98.7	0	0	0	109.6
322	V	30.6	Very low	28.3	Very low	134 Å²	134	130.2 Å²	130.2	81%	0.812	81%	0.805	S	S	*	*			trans	-129.8	117.2	156.4	-176.8	0	0	0	0	107.6
323	A	22.5	Very low	28.5	Very low	89 Å²	89	129.4 Å²	129.4	74%	0.736	81%	0.807	S	S	*	*			trans	-103.4	141.1	158.9	0	0	0	0	0	107.1
324	F	27.1	Very low	28.4	Very low	200 Å²	200	128.1 Å²	128.1	88%	0.877	81%	0.809	S	S	*	*			trans	-145.2	156.5	165.4	-129.9	-87	0	0	0	111.7
325	S	24.2	Very low	28.2	Very low	110 Å²	110	128 Å²	128	77%	0.769	81%	0.806	S	S	*	*			trans	-118.4	157.3	-167.9	50.7	0	0	0	0	112.6
326	G	29.3	Very low	28.3	Very low	67 Å²	67	129.8 Å²	129.8	69%	0.691	81%	0.808	S	S	*	*			trans	149.4	142	170.1	0	0	0	0	0	111.4
327	T	29.5	Very low	28.1	Very low	150 Å²	150	131.3 Å²	131.3	92%	0.92	80%	0.803	S	S	*	*			cis	-151.1	160.4	-9.8	11.2	0	0	0	0	109
328	S	25.3	Very low	28	Very low	100 Å²	100	128.9 Å²	128.9	70%	0.699	80%	0.799	S	S	*	*			trans	-89	146.9	-177.1	53.4	0	0	0	0	113.7
329	D	29.9	Very low	27.9	Very low	159 Å²	159	129.4 Å²	129.4	85%	0.85	80%	0.796	S	S	*	*			trans	-166.6	164.4	149.6	-91.7	-33.9	0	0	0	109.6
330	V	29.4	Very low	27.9	Very low	116 Å²	116	129.4 Å²	129.4	70%	0.703	79%	0.787	S	S	*	*				-161.1	159.9	-68.8	129.6	0	0	0	0	109.1
331	V	30.9	Very low	27.8	Very low	146 Å²	146	131.7 Å²	131.7	89%	0.885	79%	0.786	S	S	*	*			trans	71.7	145	-174.1	-164.6	0	0	0	0	113.9
332	G	28.2	Very low	27.7	Very low	61 Å²	61	125.7 Å²	125.7	63%	0.629	78%	0.777	S	S	*	*			cis	172	144	-9.3	0	0	0	0	0	109.8
333	P	32.8	Very low	27.5	Very low	133 Å²	133	121.5 Å²	121.5	86%	0.864	76%	0.761	S	S	*	*			trans	-102	152.3	-158.3	37.6	-35.6	0	0	0	115.9
334	D	30.2	Very low	27.9	Very low	153 Å²	153	123.9 Å²	123.9	82%	0.818	75%	0.751	S	S	*	*			trans	-146.6	172.4	153.8	-145.9	-17.1	0	0	0	112.7
335	K	28.4	Very low	28.1	Very low	171 Å²	171	119.4 Å²	119.4	74%	0.743	74%	0.735	S	S	*	*			trans	-112.9	141.1	-157.6	-55.7	150.9	-174.3	163.5	0	112.3
336	N	29.8	Very low	28.3	Very low	140 Å²	140	119 Å²	119	75%	0.749	72%	0.721	S	S	*	*				167.6	146.7	116.7	-95.4	-69	0	0	0	115.6
337	K	27.8	Very low	28.3	Very low	172 Å²	172	121.9 Å²	121.9	75%	0.748	72%	0.721	S	S	*	*			trans	66.9	105.1	145.5	-69.8	173	-179.6	177.3	0	122.6
338	L	25.1	Very low	28.4	Very low	165 Å²	165	119.7 Å²	119.7	86%	0.864	70%	0.7	S	S	*	*				56.1	114.9	123.7	-82.8	108.4	0	0	0	121.4
339	A	25.1	Very low	28.8	Very low	92 Å²	92	122.1 Å²	122.1	76%	0.76	70%	0.7	S	S	*	*				130.2	105.5	113	0	0	0	0	0	117.5
340	A	24.8	Very low	28.9	Very low	87 Å²	87	122.9 Å²	122.9	72%	0.719	70%	0.699	S	S	*	*			trans	59	101	143	0	0	0	0	0	121.4
341	T	26.8	Very low	28.9	Very low	124 Å²	124	121.5 Å²	121.5	76%	0.761	69%	0.687	S	S	*	*			trans	-153.1	128.9	135.7	4	0	0	0	0	112.2	G343	T341-G343 PolarHBondContact O-N 2.88Å
342	G	24.5	Very low	28.7	Very low	70 Å²	70	119.8 Å²	119.8	72%	0.722	67%	0.673	S	S	*	*			trans	-80.3	103	169.6	0	0	0	0	0	111	R344	G342-R344 PolarHBondContact O-N 3.45Å
343	G	27.1	Very low	28.6	Very low	46 Å²	46	124.8 Å²	124.8	47%	0.474	68%	0.684	S	S	.	*			trans	-66.7	116.5	-176.8	0	0	0	0	0	112.7	K64 T341	K64-G343 PolarHBondContact NZ-O 2.78Å; T341-G343 PolarHBondContact O-N 2.88Å
344	R	29	Very low	28.4	Very low	140 Å²	140	124.7 Å²	124.7	53%	0.528	68%	0.677	S	S	.	*			trans	-125.2	113.2	178.2	174.3	176.3	176.4	168.3	1.1	107.6	G342 E346	G342-R344 PolarHBondContact O-N 3.45Å; R344-E346 WeakPolarHBondContact O-CG 3.29Å; R344-E346 PolarHBondContact O-N 2.96Å
345	I	31.7	Very low	28.4	Very low	106 Å²	106	126.6 Å²	126.6	54%	0.544	68%	0.681	S	S	.	*			trans	-52.7	126.6	-173.6	-58.1	173.2	0	0	0	110.2
346	E	29	Very low	28.3	Very low	101 Å²	101	129.5 Å²	129.5	47%	0.472	69%	0.687	S	S	.	*			trans	-115.1	121.8	176.1	-60	-165	-137.4	0	0	108.8	R344 H348 K382	R344-E346 WeakPolarHBondContact O-CG 3.29Å; R344-E346 PolarHBondContact O-N 2.96Å; E346-H348 WeakPolarHBondContact CB-NE2 3.47Å; E346-H348 PolarHBondContact O-CD2 3.25Å; E346-H348 PolarHBondContact O-N 2.97Å; E346-K382 WeakPolarHBondContact OE1-CE 3.49Å; E346-K382 IonicContact OE1-NZ 2.68Å; E346-K382 PolarHBondContact OE1-NZ 3.1Å; E346-K382 WeakPolarHBondContact OE2-CE 3.37Å; E346-K382 IonicContact OE2-NZ 3.2Å; E346-K382 PolarHBondContact OE2-NZ 3.14Å; E346-K382 VanDerWaalsContact OE2-NZ 3.16Å
347	N	28.9	Very low	28.1	Very low	128 Å²	128	130.7 Å²	130.7	68%	0.684	69%	0.694	S	S	*	*			trans	-81.5	107.8	165	-76.9	12.8	0	0	0	107.7
348	H	31.2	Very low	28.1	Very low	104 Å²	104	128.1 Å²	128.1	48%	0.481	70%	0.697	S	S	.	*			trans	-84.2	126.8	-179.1	-82.1	-115.1	0	0	0	112.2	E257 E346	E257-H348 IonicContact OE1-CE1 3.33Å; E257-H348 IonicContact OE1-NE2 2.7Å; E346-H348 WeakPolarHBondContact CB-NE2 3.47Å; E346-H348 PolarHBondContact O-CD2 3.25Å; E346-H348 PolarHBondContact O-N 2.97Å
349	Q	33.9	Very low	28.3	Very low	150 Å²	150	128 Å²	128	70%	0.701	70%	0.696	S	S	*	*			trans	-146.1	145.2	146.3	-108.3	172.7	-2.1	0	0	108.7
350	Q	32.4	Very low	28.4	Very low	176 Å²	176	126.8 Å²	126.8	82%	0.822	69%	0.693	S	S	*	*			trans	-80.8	146.7	-173.6	-78.7	129.4	-98	0	0	112.6
351	D	29.3	Very low	28.5	Very low	87 Å²	87	128.7 Å²	128.7	47%	0.465	70%	0.701	S	S	.	*			trans	-150.9	45.9	-167	174.9	24.7	0	0	0	109.5	R380 K383	D351-R380 PolarHBondContact O-NH1 2.89Å; D351-R380 VanDerWaalsContact O-NH1 3.14Å; D351-R380 PolarHBondContact O-NH2 3.04Å; D351-R380 IonicContact OD2-NH1 2.65Å; D351-K383 IonicContact OD2-NZ 3.47Å; D351-K383 PolarHBondContact OD2-NZ 3.5Å
352	N	27.1	Very low	28.6	Very low	110 Å²	110	126.3 Å²	126.3	59%	0.588	70%	0.701	S	S	*	*			trans	-159.8	65.5	-168.2	-154.4	90.8	0	0	0	117.5	R380	N352-R380 PolarHBondContact OD1-NE 3.31Å; N352-R380 PolarHBondContact OD1-NH2 2.88Å
353	L	26.8	Very low	28.7	Very low	165 Å²	165	131 Å²	131	86%	0.864	71%	0.71	S	S	*	*			trans	-176.8	83	147	-104.2	161.6	0	0	0	111.4
354	N	28.1	Very low	28.9	Very low	132 Å²	132	133.5 Å²	133.5	71%	0.706	73%	0.726	S	S	*	*			trans	-161	64.4	160.1	-110.7	-28.3	0	0	0	113.4
355	Q	30.4	Very low	28.7	Very low	192 Å²	192	136 Å²	136	90%	0.897	74%	0.744	S	S	*	*	S	Bend	trans	-141.5	62	164.2	-84.8	-161.5	-2.1	0	0	111
356	R	24.7	Very low	28.6	Very low	232 Å²	232	134.8 Å²	134.8	88%	0.875	75%	0.749	S	S	*	*	S	Bend	trans	-179.2	93.1	159.4	-102.9	159.2	-173.9	-163.3	-0.6	109
357	N	26.2	Very low	28.7	Very low	166 Å²	166	136.2 Å²	136.2	89%	0.888	77%	0.765	S	S	*	*			trans	173.2	80.7	145.9	-89.6	-4.8	0	0	0	110.6
358	S	28.5	Very low	28.6	Very low	117 Å²	117	138.9 Å²	138.9	82%	0.818	77%	0.773	S	S	*	*			trans	-158.5	48.7	164.9	52.5	0	0	0	0	111.2
359	L	27.9	Very low	28.6	Very low	162 Å²	162	142.1 Å²	142.1	85%	0.848	79%	0.794	S	S	*	*			trans	-108.4	114.8	159.4	-88.4	162	0	0	0	106.5
360	G	29.1	Very low	28.5	Very low	67 Å²	67	138.4 Å²	138.4	69%	0.691	80%	0.796	S	S	*	*			trans	-80.6	148.8	175.3	0	0	0	0	0	111.6
361	S	25.6	Very low	28.2	Very low	128 Å²	128	136 Å²	136	90%	0.895	80%	0.799	S	S	*	*			trans	12.4	111.8	153.7	56.9	0	0	0	0	117.8
362	G	29.5	Very low	28.5	Very low	73 Å²	73	138.3 Å²	138.3	75%	0.753	81%	0.811	S	S	*	*			trans	-174.4	112.8	166.2	0	0	0	0	0	109.7
363	D	26.2	Very low	28.7	Very low	169 Å²	169	136.1 Å²	136.1	90%	0.904	81%	0.809	S	S	*	*			trans	-83.5	137.5	-163.6	-46.3	-88.5	0	0	0	113.9
364	A	31.1	Very low	29	Very low	99 Å²	99	134.8 Å²	134.8	82%	0.818	81%	0.81	S	S	*	*			trans	-164.9	142.6	156.2	0	0	0	0	0	111
365	E	26.3	Very low	29.3	Very low	193 Å²	193	136.5 Å²	136.5	90%	0.902	81%	0.811	S	S	*	*			trans	-80.3	172.9	171.6	-54.1	157	120.3	0	0	109.5
366	A	29.7	Very low	29.2	Very low	80 Å²	80	130.8 Å²	130.8	66%	0.661	80%	0.803	S	S	*	*			cis	-159.8	-178	16.8	0	0	0	0	0	112.7
367	T	30.2	Very low	29.4	Very low	131 Å²	131	132.1 Å²	132.1	80%	0.804	81%	0.808	S	S	*	*			trans	64.2	105.8	154.9	49.8	0	0	0	0	120.4
368	E	27.2	Very low	29.6	Very low	184 Å²	184	133.4 Å²	133.4	86%	0.86	81%	0.806	S	S	*	*			trans	-13.8	146.2	133.8	-59.1	160.6	145.5	0	0	115.1
369	D	30.6	Very low	29.6	Very low	172 Å²	172	139.4 Å²	139.4	92%	0.92	81%	0.81	S	S	*	*				-171.5	171.4	66.3	-156	-11.4	0	0	0	112.2
370	G	31.2	Very low	29.5	Very low	72 Å²	72	138.5 Å²	138.5	74%	0.742	80%	0.796	S	S	*	*			trans	114.5	112.4	163.3	0	0	0	0	0	117.4
371	S	27.7	Very low	29.6	Very low	125 Å²	125	144.9 Å²	144.9	87%	0.874	81%	0.805	S	S	*	*			trans	-95.8	139.8	178.9	55.9	0	0	0	0	113.8
372	D	34	Very low	30.1	Very low	135 Å²	135	142.7 Å²	142.7	72%	0.722	78%	0.779	S	S	*	*			trans	-153.4	154.6	164.8	-163.3	13.6	0	0	0	112.1	K375	D372-K375 IonicContact OD2-NZ 3.25Å; D372-K375 PolarHBondContact OD2-NZ 2.92Å
373	A	32.4	Very low	31	Very low	65 Å²	65	147.5 Å²	147.5	54%	0.537	78%	0.779	S	S	.	*			trans	-80.6	153.8	-161.8	0	0	0	0	0	115.7	K375	A373-K375 PolarHBondContact O-N 3.47Å
374	P	32.9	Very low	32.4	Very low	137 Å²	137	144.9 Å²	144.9	89%	0.89	76%	0.757	S	S	*	*			trans	-70.3	101.4	-175.8	28.1	-35.6	0	0	0	113.2
375	K	33.2	Very low	34.1	Very low	168 Å²	168	140.4 Å²	140.4	73%	0.73	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-72.9	134.9	175.1	-72.5	152.6	-175.8	150.6	0	110.9	D372 A373	D372-K375 IonicContact OD2-NZ 3.25Å; D372-K375 PolarHBondContact OD2-NZ 2.92Å; A373-K375 PolarHBondContact O-N 3.47Å
376	G	29.8	Very low	36.1	Very low	71 Å²	71	133 Å²	133	73%	0.732	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-61	155.4	-160.8	0	0	0	0	0	117.7	K378	G376-K378 PolarHBondContact O-N 2.98Å
377	R	29.1	Very low	38.1	Very low	260 Å²	260	129.4 Å²	129.4	98%	0.981	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-54.6	116.3	179.2	-79.5	177.9	166.9	167.4	-5.1	111.7	R379	R377-R379 PolarHBondContact O-N 2.87Å
378	K	29.8	Very low	40	Very low	194 Å²	194	125.7 Å²	125.7	84%	0.843	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-64.9	121.5	169.7	-68.7	174.2	179.3	170.8	0	109.7	G376 R380	G376-K378 PolarHBondContact O-N 2.98Å; K378-R380 PolarHBondContact O-N 3.49Å
379	R	28.9	Very low	42.1	Very low	242 Å²	242	119.4 Å²	119.4	91%	0.913	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-50.4	126.7	168.6	-88.6	179.8	158.6	169.6	-7.2	109.5	R377	R377-R379 PolarHBondContact O-N 2.87Å
380	R	25.6	Very low	44.3	Very low	143 Å²	143	113.5 Å²	113.5	54%	0.54	58%	0.577	S	S	.	*	P	Polyproline II helix	trans	-67.3	140.9	177.3	-56	-172.9	83.2	-145.2	5.8	109	D351 N352 K378	D351-R380 PolarHBondContact O-NH1 2.89Å; D351-R380 VanDerWaalsContact O-NH1 3.14Å; D351-R380 PolarHBondContact O-NH2 3.04Å; D351-R380 IonicContact OD2-NH1 2.65Å; N352-R380 PolarHBondContact OD1-NE 3.31Å; N352-R380 PolarHBondContact OD1-NH2 2.88Å; K378-R380 PolarHBondContact O-N 3.49Å
381	K	30.7	Very low	46.5	Very low	202 Å²	202	110.3 Å²	110.3	88%	0.878	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-75.6	131	176.3	-67.2	-176.9	178.7	-178.7	0	109
382	K	36.5	Very low	48.7	Very low	82 Å²	82	108.4 Å²	108.4	36%	0.357	53%	0.526	S	S	.	.	P	Polyproline II helix	trans	-57.8	137	173.6	-60.4	-170.1	179.5	-164.2	0	109.8	E346 Y384	E346-K382 WeakPolarHBondContact OE1-CE 3.49Å; E346-K382 IonicContact OE1-NZ 2.68Å; E346-K382 PolarHBondContact OE1-NZ 3.1Å; E346-K382 WeakPolarHBondContact OE2-CE 3.37Å; E346-K382 IonicContact OE2-NZ 3.2Å; E346-K382 PolarHBondContact OE2-NZ 3.14Å; E346-K382 VanDerWaalsContact OE2-NZ 3.16Å; K382-Y384 HydrophobicContact CB-CE2 4.25Å; K382-Y384 VanDerWaalsContact O-CD2 3.28Å; K382-Y384 WeakPolarHBondContact O-CD2 3.29Å
383	K	47.8	Very low	50.9	Low	173 Å²	173	109.5 Å²	109.5	75%	0.752	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-66.9	129.1	165.2	-65.1	173.2	-173.6	166.4	0	106.2	D351	D351-K383 IonicContact OD2-NZ 3.47Å; D351-K383 PolarHBondContact OD2-NZ 3.5Å
384	Y	56.3	Low	53.2	Low	115 Å²	115	107.4 Å²	107.4	45%	0.451	50%	0.5	S	S	.	.			trans	-111.8	147.5	173.5	-74.1	-103	0	0	0	107.7	K382 Q388	K382-Y384 HydrophobicContact CB-CE2 4.25Å; K382-Y384 VanDerWaalsContact O-CD2 3.28Å; K382-Y384 WeakPolarHBondContact O-CD2 3.29Å; Y384-Q388 HydrophobicContact CD1-CB 4.35Å
385	S	66.6	Low	55.4	Low	5 Å²	5	102.2 Å²	102.2	4%	0.035	47%	0.468	C	S	.	.			trans	-62.1	161.2	172.2	84.8	0	0	0	0	111.9	L387 Q388 A389 D483 E486	S385-L387 VanDerWaalsContact C-N 3.34Å; S385-L387 PolarHBondContact O-N 3.15Å; S385-Q388 PolarHBondContact O-N 3.01Å; S385-Q388 VanDerWaalsContact OG-CB 3.28Å; S385-Q388 WeakPolarHBondContact OG-CB 3.32Å; S385-Q388 VanDerWaalsContact OG-CG 3.24Å; S385-Q388 WeakPolarHBondContact OG-CG 3.5Å; S385-Q388 PolarHBondContact OG-N 2.68Å; S385-A389 WeakPolarHBondContact O-CB 3.34Å; S385-A389 PolarHBondContact O-N 2.79Å; S385-D483 VanDerWaalsContact CB-CB 3.45Å; S385-E486 WeakPolarHBondContact CB-OE2 3.31Å; S385-E486 PolarHBondContact OG-OE2 2.84Å
386	V	67.8	Low	57.6	Low	38 Å²	38	97.2 Å²	97.2	23%	0.23	45%	0.454	C	S	.	.	H	α-helix	trans	-61.6	-43.2	-176.7	-178.6	0	0	0	0	110.8	K390	V386-K390 VanDerWaalsContact O-CG 3.32Å; V386-K390 WeakPolarHBondContact O-CG 3.39Å; V386-K390 PolarHBondContact O-N 3.34Å
387	L	71.7	Confident	60.2	Low	3 Å²	3	96 Å²	96	2%	0.016	43%	0.431	C	S	.	.	H	α-helix	trans	-72.6	-42.1	175.8	-166.1	70.5	0	0	0	112.2	S385 A389 K390 L391 E486 Y891 I894 I965	S385-L387 VanDerWaalsContact C-N 3.34Å; S385-L387 PolarHBondContact O-N 3.15Å; L387-A389 VanDerWaalsContact C-N 3.32Å; L387-A389 PolarHBondContact O-N 3.02Å; L387-K390 PolarHBondContact O-N 3.2Å; L387-L391 HydrophobicContact CD1-CD1 4.48Å; L387-L391 HydrophobicContact CD1-CG 4.44Å; L387-L391 HydrophobicContact CD2-CD1 4.15Å; L387-L391 HydrophobicContact CG-CD1 3.76Å; L387-L391 HydrophobicContact CG-CG 4.1Å; L387-L391 VanDerWaalsContact O-CB 3.32Å; L387-L391 WeakPolarHBondContact O-CB 3.48Å; L387-L391 VanDerWaalsContact O-CG 3.31Å; L387-L391 WeakPolarHBondContact O-CG 3.47Å; L387-L391 PolarHBondContact O-N 2.79Å; L387-E486 HydrophobicContact CB-CG 3.85Å; L387-E486 WeakPolarHBondContact CB-OE1 3.36Å; L387-E486 VanDerWaalsContact CB-OE2 3.25Å; L387-E486 WeakPolarHBondContact CB-OE2 3.4Å; L387-E486 HydrophobicContact CD2-CG 4.19Å; L387-E486 PolarHBondContact N-OE1 2.95Å; L387-Y891 HydrophobicContact CD1-CD2 4.04Å; L387-Y891 HydrophobicContact CD1-CE2 3.89Å; L387-I894 HydrophobicContact CD2-CB 4.47Å; L387-I894 HydrophobicContact CD2-CD1 3.48Å; L387-I894 VanDerWaalsContact CD2-CD1 3.48Å; L387-I894 HydrophobicContact CD2-CG2 4.23Å; L387-I965 HydrophobicContact CD1-CD1 3.52Å; L387-I965 HydrophobicContact CD1-CG1 3.82Å; L387-I965 HydrophobicContact CG-CD1 4.49Å
388	Q	70.5	Confident	62.8	Low	54 Å²	54	84.8 Å²	84.8	25%	0.252	39%	0.39	S	S	.	.	H	α-helix	trans	-57.9	-44.6	177.4	-77.3	-179.5	31	0	0	111.4	Y384 S385 K390 L391 T392	Y384-Q388 HydrophobicContact CD1-CB 4.35Å; S385-Q388 PolarHBondContact O-N 3.01Å; S385-Q388 VanDerWaalsContact OG-CB 3.28Å; S385-Q388 WeakPolarHBondContact OG-CB 3.32Å; S385-Q388 VanDerWaalsContact OG-CG 3.24Å; S385-Q388 WeakPolarHBondContact OG-CG 3.5Å; S385-Q388 PolarHBondContact OG-N 2.68Å; Q388-K390 PolarHBondContact O-N 3.14Å; Q388-L391 PolarHBondContact O-N 3.01Å; Q388-T392 WeakPolarHBondContact O-CB 3.36Å; Q388-T392 PolarHBondContact O-N 3.07Å; Q388-T392 PolarHBondContact O-OG1 3.44Å; Q388-T392 VanDerWaalsContact O-OG1 3.07Å
389	A	71.5	Confident	65.3	Low	52 Å²	52	76.2 Å²	76.2	43%	0.43	36%	0.356	S	S	.	.	H	α-helix	trans	-61.8	-42.7	177.3	0	0	0	0	0	112.5	S385 L387 R393	S385-A389 WeakPolarHBondContact O-CB 3.34Å; S385-A389 PolarHBondContact O-N 2.79Å; L387-A389 VanDerWaalsContact C-N 3.32Å; L387-A389 PolarHBondContact O-N 3.02Å; A389-R393 WeakPolarHBondContact O-CB 3.19Å; A389-R393 PolarHBondContact O-N 3.43Å
390	K	76.8	Confident	67.9	Low	48 Å²	48	70.2 Å²	70.2	21%	0.209	34%	0.339	C	S	.	.	H	α-helix	trans	-64.7	-42.4	175.1	-71.5	174.5	-175.7	-177.4	0	111.8	V386 L387 Q388 R393 L394 R961 K963 I965	V386-K390 VanDerWaalsContact O-CG 3.32Å; V386-K390 WeakPolarHBondContact O-CG 3.39Å; V386-K390 PolarHBondContact O-N 3.34Å; L387-K390 PolarHBondContact O-N 3.2Å; Q388-K390 PolarHBondContact O-N 3.14Å; K390-R393 PolarHBondContact O-N 2.83Å; K390-L394 PolarHBondContact O-N 2.91Å; K390-R961 WeakPolarHBondContact CE-O 3.37Å; K390-R961 PolarHBondContact NZ-O 3.13Å; K390-K963 PolarHBondContact NZ-O 2.99Å; K390-I965 HydrophobicContact CB-CD1 3.61Å; K390-I965 HydrophobicContact CB-CG1 4.09Å; K390-I965 HydrophobicContact CD-CD1 4.41Å; K390-I965 HydrophobicContact CD-CG1 4Å
391	L	76.7	Confident	70.8	Confident	5 Å²	5	66 Å²	66	3%	0.026	33%	0.327	C	S	.	.	H	α-helix	trans	-71.8	-43.3	-178.1	-75.2	178	0	0	0	113.2	L387 Q388 R393 L394 A395 L457 V461 I894 L898 I965	L387-L391 HydrophobicContact CD1-CD1 4.48Å; L387-L391 HydrophobicContact CD1-CG 4.44Å; L387-L391 HydrophobicContact CD2-CD1 4.15Å; L387-L391 HydrophobicContact CG-CD1 3.76Å; L387-L391 HydrophobicContact CG-CG 4.1Å; L387-L391 VanDerWaalsContact O-CB 3.32Å; L387-L391 WeakPolarHBondContact O-CB 3.48Å; L387-L391 VanDerWaalsContact O-CG 3.31Å; L387-L391 WeakPolarHBondContact O-CG 3.47Å; L387-L391 PolarHBondContact O-N 2.79Å; Q388-L391 PolarHBondContact O-N 3.01Å; L391-R393 VanDerWaalsContact C-N 3.26Å; L391-R393 PolarHBondContact O-N 2.71Å; L391-L394 PolarHBondContact O-N 3.37Å; L391-L394 VanDerWaalsContact O-N 3.13Å; L391-A395 WeakPolarHBondContact O-CB 3.35Å; L391-A395 PolarHBondContact O-N 3.39Å; L391-L457 HydrophobicContact CB-CD2 3.97Å; L391-L457 HydrophobicContact CD1-CD2 4.38Å; L391-L457 HydrophobicContact CD2-CD1 4.42Å; L391-L457 HydrophobicContact CD2-CD2 4.08Å; L391-L457 HydrophobicContact CD2-CG 4.46Å; L391-L457 HydrophobicContact CG-CD2 4.38Å; L391-V461 HydrophobicContact CD1-CG2 3.27Å; L391-I894 HydrophobicContact CD1-CG2 4.15Å; L391-L898 HydrophobicContact CD2-CD1 3.47Å; L391-L898 VanDerWaalsContact CD2-CD1 3.47Å; L391-I965 HydrophobicContact CD2-CD1 3.51Å; L391-I965 HydrophobicContact CG-CD1 3.75Å
392	T	75	Confident	73.5	Confident	84 Å²	84	56.5 Å²	56.5	52%	0.515	29%	0.286	S	S	.	.	H	α-helix	trans	-59.8	-39.1	173.4	-58.7	0	0	0	0	111.1	Q388 S396	Q388-T392 WeakPolarHBondContact O-CB 3.36Å; Q388-T392 PolarHBondContact O-N 3.07Å; Q388-T392 PolarHBondContact O-OG1 3.44Å; Q388-T392 VanDerWaalsContact O-OG1 3.07Å; T392-S396 VanDerWaalsContact O-CB 3.32Å; T392-S396 WeakPolarHBondContact O-CB 3.38Å; T392-S396 PolarHBondContact O-N 2.83Å
393	R	80.2	Confident	75.8	Confident	159 Å²	159	55.8 Å²	55.8	60%	0.6	29%	0.288	S	S	*	.	H	α-helix	trans	-64.3	-42	174	-178.2	176.4	174.5	-178.7	-4.7	112.1	A389 K390 L391 L397	A389-R393 WeakPolarHBondContact O-CB 3.19Å; A389-R393 PolarHBondContact O-N 3.43Å; K390-R393 PolarHBondContact O-N 2.83Å; L391-R393 VanDerWaalsContact C-N 3.26Å; L391-R393 PolarHBondContact O-N 2.71Å; R393-L397 HydrophobicContact CG-CD1 4.41Å; R393-L397 WeakPolarHBondContact O-CG 3.34Å; R393-L397 PolarHBondContact O-N 3.04Å; R393-L397 VanDerWaalsContact O-N 3.12Å
394	L	80	Confident	77.8	Confident	21 Å²	21	49.8 Å²	49.8	11%	0.11	27%	0.266	C	S	.	.	H	α-helix	trans	-65.8	-50.6	178	-178.7	66.9	0	0	0	111.8	K390 L391 S396 L397 I398 L898 I966	K390-L394 PolarHBondContact O-N 2.91Å; L391-L394 PolarHBondContact O-N 3.37Å; L391-L394 VanDerWaalsContact O-N 3.13Å; L394-S396 VanDerWaalsContact C-N 3.27Å; L394-S396 PolarHBondContact O-N 2.79Å; L394-L397 PolarHBondContact O-N 2.91Å; L394-L397 VanDerWaalsContact O-N 3.09Å; L394-I398 HydrophobicContact CD1-CD1 4.05Å; L394-I398 HydrophobicContact CD1-CG1 4.36Å; L394-I398 HydrophobicContact CD2-CD1 4.36Å; L394-I398 HydrophobicContact CG-CD1 3.75Å; L394-I398 HydrophobicContact CG-CG1 4.45Å; L394-I398 WeakPolarHBondContact O-CG1 3.16Å; L394-I398 PolarHBondContact O-N 3.16Å; L394-L898 HydrophobicContact CD2-CD1 3.84Å; L394-L898 HydrophobicContact CD2-CD2 4.02Å; L394-L898 HydrophobicContact CD2-CG 4.36Å; L394-I966 HydrophobicContact CD1-CD1 4.02Å; L394-I966 HydrophobicContact CD2-CD1 4.16Å
395	A	79.3	Confident	79.3	Confident	27 Å²	27	45.5 Å²	45.5	22%	0.223	25%	0.252	C	S	.	.	H	α-helix	trans	-58.1	-39.7	177.9	0	0	0	0	0	111.8	L391 I398 G399 P454	L391-A395 WeakPolarHBondContact O-CB 3.35Å; L391-A395 PolarHBondContact O-N 3.39Å; A395-I398 PolarHBondContact O-N 3.45Å; A395-G399 PolarHBondContact O-N 2.93Å; A395-P454 HydrophobicContact CB-CG 4.45Å
396	S	78.8	Confident	80.3	Confident	63 Å²	63	45.6 Å²	45.6	44%	0.441	25%	0.253	S	S	.	.	H	α-helix	trans	-63.7	-40.3	174.8	-171.1	0	0	0	0	113.2	T392 L394 Q400	T392-S396 VanDerWaalsContact O-CB 3.32Å; T392-S396 WeakPolarHBondContact O-CB 3.38Å; T392-S396 PolarHBondContact O-N 2.83Å; L394-S396 VanDerWaalsContact C-N 3.27Å; L394-S396 PolarHBondContact O-N 2.79Å; S396-Q400 WeakPolarHBondContact O-CB 3.4Å; S396-Q400 VanDerWaalsContact O-CG 3.24Å; S396-Q400 WeakPolarHBondContact O-CG 2.76Å; S396-Q400 PolarHBondContact O-N 3.08Å; S396-Q400 VanDerWaalsContact O-N 3.07Å
397	L	83.6	Confident	81.3	Confident	46 Å²	46	46.4 Å²	46.4	24%	0.241	26%	0.26	C	S	.	.	H	α-helix	trans	-66.5	-40.6	175.1	-73.7	168.7	0	0	0	112.1	R393 L394 Q400 L401	R393-L397 HydrophobicContact CG-CD1 4.41Å; R393-L397 WeakPolarHBondContact O-CG 3.34Å; R393-L397 PolarHBondContact O-N 3.04Å; R393-L397 VanDerWaalsContact O-N 3.12Å; L394-L397 PolarHBondContact O-N 2.91Å; L394-L397 VanDerWaalsContact O-N 3.09Å; L397-Q400 PolarHBondContact O-N 2.77Å; L397-L401 PolarHBondContact O-N 2.87Å
398	I	83.7	Confident	82.2	Confident	24 Å²	24	50 Å²	50	12%	0.123	28%	0.279	C	S	.	.	H	α-helix	trans	-66.7	-47.9	178.4	-64	165.3	0	0	0	110.3	L394 A395 Q400 L401 G402 A452 P454 L902	L394-I398 HydrophobicContact CD1-CD1 4.05Å; L394-I398 HydrophobicContact CD1-CG1 4.36Å; L394-I398 HydrophobicContact CD2-CD1 4.36Å; L394-I398 HydrophobicContact CG-CD1 3.75Å; L394-I398 HydrophobicContact CG-CG1 4.45Å; L394-I398 WeakPolarHBondContact O-CG1 3.16Å; L394-I398 PolarHBondContact O-N 3.16Å; A395-I398 PolarHBondContact O-N 3.45Å; I398-Q400 VanDerWaalsContact C-N 3.3Å; I398-Q400 PolarHBondContact O-N 2.74Å; I398-L401 WeakPolarHBondContact O-CB 3.23Å; I398-L401 PolarHBondContact O-N 3.44Å; I398-L401 VanDerWaalsContact O-N 3.09Å; I398-G402 PolarHBondContact O-N 2.85Å; I398-A452 WeakPolarHBondContact CG2-O 3.2Å; I398-P454 HydrophobicContact CD1-CG 4.38Å; I398-L902 HydrophobicContact CD1-CD2 3.56Å
399	G	82.7	Confident	82.9	Confident	14 Å²	14	47.5 Å²	47.5	14%	0.144	27%	0.268	C	S	.	.	H	α-helix	trans	-61	-35.9	176.9	0	0	0	0	0	113.2	A395 T403	A395-G399 PolarHBondContact O-N 2.93Å; G399-T403 WeakPolarHBondContact O-CB 3.33Å; G399-T403 PolarHBondContact O-N 3.28Å; G399-T403 PolarHBondContact O-OG1 3.25Å
400	Q	85	Confident	83.7	Confident	116 Å²	116	46.6 Å²	46.6	54%	0.542	26%	0.257	S	S	.	.	H	α-helix	trans	-64.1	-44	171.6	-75.6	172.7	23.4	0	0	112.2	S396 L397 I398 T403 V404	S396-Q400 WeakPolarHBondContact O-CB 3.4Å; S396-Q400 VanDerWaalsContact O-CG 3.24Å; S396-Q400 WeakPolarHBondContact O-CG 2.76Å; S396-Q400 PolarHBondContact O-N 3.08Å; S396-Q400 VanDerWaalsContact O-N 3.07Å; L397-Q400 PolarHBondContact O-N 2.77Å; I398-Q400 VanDerWaalsContact C-N 3.3Å; I398-Q400 PolarHBondContact O-N 2.74Å; Q400-T403 PolarHBondContact O-N 2.9Å; Q400-V404 WeakPolarHBondContact O-CG2 3.43Å; Q400-V404 PolarHBondContact O-N 3.44Å; Q400-V404 VanDerWaalsContact O-N 3.12Å
401	L	86.4	Confident	84.4	Confident	56 Å²	56	48.7 Å²	48.7	29%	0.293	27%	0.269	S	S	.	.	H	α-helix	trans	-63.6	-45.5	176.1	-178.6	61.6	0	0	0	111.4	L397 I398 T403 V404 V405 V1170	L397-L401 PolarHBondContact O-N 2.87Å; I398-L401 WeakPolarHBondContact O-CB 3.23Å; I398-L401 PolarHBondContact O-N 3.44Å; I398-L401 VanDerWaalsContact O-N 3.09Å; L401-T403 PolarHBondContact O-N 2.72Å; L401-V404 PolarHBondContact O-N 2.91Å; L401-V405 HydrophobicContact CD1-CG2 4.46Å; L401-V405 WeakPolarHBondContact O-CG2 3.27Å; L401-V405 PolarHBondContact O-N 3.14Å; L401-V1170 HydrophobicContact CD1-CG1 4.45Å; L401-V1170 HydrophobicContact CD1-CG2 4.22Å
402	G	85.8	Confident	84.9	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.01	28%	0.28	C	S	.	.	H	α-helix	trans	-56.4	-47.5	174.7	0	0	0	0	0	112.7	I398 V404 V405 A406 A452	I398-G402 PolarHBondContact O-N 2.85Å; G402-V404 VanDerWaalsContact C-N 3.31Å; G402-V404 PolarHBondContact O-N 3.47Å; G402-V405 PolarHBondContact O-N 3.34Å; G402-A406 VanDerWaalsContact O-CB 3.26Å; G402-A406 WeakPolarHBondContact O-CB 3.23Å; G402-A406 PolarHBondContact O-N 3.07Å; G402-A452 VanDerWaalsContact CA-CB 3.44Å
403	T	86.2	Confident	85.5	Confident	67 Å²	67	47 Å²	47	41%	0.411	26%	0.256	S	S	.	.	H	α-helix	trans	-59	-40.9	176.6	-55.8	0	0	0	0	112	G399 Q400 L401 S407	G399-T403 WeakPolarHBondContact O-CB 3.33Å; G399-T403 PolarHBondContact O-N 3.28Å; G399-T403 PolarHBondContact O-OG1 3.25Å; Q400-T403 PolarHBondContact O-N 2.9Å; L401-T403 PolarHBondContact O-N 2.72Å; T403-S407 VanDerWaalsContact O-CB 3.29Å; T403-S407 WeakPolarHBondContact O-CB 3.28Å; T403-S407 PolarHBondContact O-N 2.95Å; T403-S407 PolarHBondContact O-OG 2.9Å
404	V	89.8	Confident	85.8	Confident	47 Å²	47	41.7 Å²	41.7	29%	0.285	24%	0.241	S	C	.	.	H	α-helix	trans	-67.6	-44.4	177.4	171.6	0	0	0	0	111.4	Q400 L401 G402 L408 A1166 V1170	Q400-V404 WeakPolarHBondContact O-CG2 3.43Å; Q400-V404 PolarHBondContact O-N 3.44Å; Q400-V404 VanDerWaalsContact O-N 3.12Å; L401-V404 PolarHBondContact O-N 2.91Å; G402-V404 VanDerWaalsContact C-N 3.31Å; G402-V404 PolarHBondContact O-N 3.47Å; V404-L408 WeakPolarHBondContact O-CB 3.46Å; V404-L408 PolarHBondContact O-N 3.01Å; V404-A1166 HydrophobicContact CG1-CB 4.44Å; V404-V1170 HydrophobicContact CG1-CG2 3.89Å
405	V	87.4	Confident	86.2	Confident	26 Å²	26	44.4 Å²	44.4	16%	0.158	26%	0.259	C	S	.	.	H	α-helix	trans	-67.8	-46.9	179.1	178.8	0	0	0	0	111.2	L401 G402 S407 L408 T409 V448 I909 F913	L401-V405 HydrophobicContact CD1-CG2 4.46Å; L401-V405 WeakPolarHBondContact O-CG2 3.27Å; L401-V405 PolarHBondContact O-N 3.14Å; G402-V405 PolarHBondContact O-N 3.34Å; V405-S407 PolarHBondContact O-N 2.96Å; V405-L408 PolarHBondContact O-N 3.15Å; V405-L408 VanDerWaalsContact O-N 3.12Å; V405-T409 PolarHBondContact O-N 3.14Å; V405-T409 PolarHBondContact O-OG1 3.4Å; V405-T409 VanDerWaalsContact O-OG1 3.05Å; V405-V448 HydrophobicContact CG1-CG1 4.32Å; V405-I909 HydrophobicContact CB-CG2 4.27Å; V405-I909 HydrophobicContact CG1-CG2 3.8Å; V405-I909 HydrophobicContact CG2-CG2 4.34Å; V405-F913 HydrophobicContact CG1-CB 4.22Å; V405-F913 HydrophobicContact CG1-CD2 3.91Å; V405-F913 HydrophobicContact CG1-CG 4.31Å
406	A	86.4	Confident	86.5	Confident	6 Å²	6	45.8 Å²	45.8	5%	0.05	26%	0.26	C	S	.	.	H	α-helix	trans	-54.9	-49	175.7	0	0	0	0	0	111.9	G402 L408 T409 V410 G445 V448 L449	G402-A406 VanDerWaalsContact O-CB 3.26Å; G402-A406 WeakPolarHBondContact O-CB 3.23Å; G402-A406 PolarHBondContact O-N 3.07Å; A406-L408 VanDerWaalsContact C-N 3.32Å; A406-L408 PolarHBondContact O-N 2.89Å; A406-T409 PolarHBondContact O-N 2.9Å; A406-V410 WeakPolarHBondContact O-CG2 3.45Å; A406-V410 PolarHBondContact O-N 2.95Å; A406-V410 VanDerWaalsContact O-N 3.08Å; A406-G445 WeakPolarHBondContact CB-O 3.39Å; A406-V448 HydrophobicContact CB-CB 4.33Å; A406-V448 HydrophobicContact CB-CG1 4.1Å; A406-L449 HydrophobicContact CB-CB 3.98Å
407	S	89.2	Confident	86.7	Confident	55 Å²	55	44.6 Å²	44.6	39%	0.385	25%	0.247	S	C	.	.	H	α-helix	trans	-59.6	-42.1	176.6	-58.5	0	0	0	0	112	T403 V405 V410 I411	T403-S407 VanDerWaalsContact O-CB 3.29Å; T403-S407 WeakPolarHBondContact O-CB 3.28Å; T403-S407 PolarHBondContact O-N 2.95Å; T403-S407 PolarHBondContact O-OG 2.9Å; V405-S407 PolarHBondContact O-N 2.96Å; S407-V410 PolarHBondContact O-N 2.86Å; S407-I411 WeakPolarHBondContact O-CD1 3.27Å; S407-I411 VanDerWaalsContact O-CG1 3.25Å; S407-I411 WeakPolarHBondContact O-CG1 3.12Å; S407-I411 PolarHBondContact O-N 2.84Å
408	L	90	Very high	86.8	Confident	80 Å²	80	44.1 Å²	44.1	42%	0.419	25%	0.248	S	C	.	.	H	α-helix	trans	-66.8	-40.9	178.7	-175.2	62.3	0	0	0	111.8	V404 V405 A406 I411 I412 F913	V404-L408 WeakPolarHBondContact O-CB 3.46Å; V404-L408 PolarHBondContact O-N 3.01Å; V405-L408 PolarHBondContact O-N 3.15Å; V405-L408 VanDerWaalsContact O-N 3.12Å; A406-L408 VanDerWaalsContact C-N 3.32Å; A406-L408 PolarHBondContact O-N 2.89Å; L408-I411 PolarHBondContact O-N 3.44Å; L408-I412 HydrophobicContact CD1-CD1 4.07Å; L408-I412 HydrophobicContact CD1-CG1 4.33Å; L408-I412 HydrophobicContact CG-CD1 3.85Å; L408-I412 HydrophobicContact CG-CG1 4.49Å; L408-I412 WeakPolarHBondContact O-CB 3.44Å; L408-I412 VanDerWaalsContact O-CG1 3.28Å; L408-I412 WeakPolarHBondContact O-CG1 3.31Å; L408-I412 PolarHBondContact O-N 2.84Å; L408-F913 HydrophobicContact CD2-CE2 3.8Å; L408-F913 HydrophobicContact CD2-CZ 4.07Å; L408-F913 HydrophobicContact CG-CE2 4.02Å
409	T	87	Confident	86.9	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.006	26%	0.259	C	S	.	.	H	α-helix	trans	-58.3	-49	174.5	-58	0	0	0	0	111.3	V405 A406 I411 I412 L413 I444 A916	V405-T409 PolarHBondContact O-N 3.14Å; V405-T409 PolarHBondContact O-OG1 3.4Å; V405-T409 VanDerWaalsContact O-OG1 3.05Å; A406-T409 PolarHBondContact O-N 2.9Å; T409-I411 PolarHBondContact O-N 2.91Å; T409-I412 PolarHBondContact O-N 2.81Å; T409-L413 HydrophobicContact CG2-CD1 4.01Å; T409-L413 WeakPolarHBondContact O-CG 3.39Å; T409-L413 PolarHBondContact O-N 3.27Å; T409-I444 HydrophobicContact CG2-CG2 4.12Å; T409-A916 HydrophobicContact CG2-CB 3.64Å
410	V	87.9	Confident	87	Confident	33 Å²	33	48.6 Å²	48.6	20%	0.2	27%	0.27	C	S	.	.	H	α-helix	trans	-59.8	-47.7	177.8	178	0	0	0	0	110.6	A406 S407 I412 L413 V414	A406-V410 WeakPolarHBondContact O-CG2 3.45Å; A406-V410 PolarHBondContact O-N 2.95Å; A406-V410 VanDerWaalsContact O-N 3.08Å; S407-V410 PolarHBondContact O-N 2.86Å; V410-I412 VanDerWaalsContact C-N 3.35Å; V410-I412 PolarHBondContact O-N 3.01Å; V410-L413 PolarHBondContact O-N 3.36Å; V410-V414 HydrophobicContact CG1-CG2 4.08Å; V410-V414 VanDerWaalsContact O-CB 3.3Å; V410-V414 WeakPolarHBondContact O-CB 3.39Å; V410-V414 WeakPolarHBondContact O-CG2 3.46Å; V410-V414 PolarHBondContact O-N 3.42Å
411	I	90.6	Very high	86.8	Confident	91 Å²	91	43.6 Å²	43.6	47%	0.467	25%	0.248	S	C	.	.	H	α-helix	trans	-60.5	-43.6	179.3	-69.2	164.7	0	0	0	111.2	S407 L408 T409 V415	S407-I411 WeakPolarHBondContact O-CD1 3.27Å; S407-I411 VanDerWaalsContact O-CG1 3.25Å; S407-I411 WeakPolarHBondContact O-CG1 3.12Å; S407-I411 PolarHBondContact O-N 2.84Å; L408-I411 PolarHBondContact O-N 3.44Å; T409-I411 PolarHBondContact O-N 2.91Å; I411-V415 HydrophobicContact CG2-CG2 4.39Å; I411-V415 WeakPolarHBondContact O-CB 3.46Å; I411-V415 VanDerWaalsContact O-CG2 3.26Å; I411-V415 WeakPolarHBondContact O-CG2 3.45Å; I411-V415 PolarHBondContact O-N 2.87Å
412	I	88.3	Confident	86.8	Confident	52 Å²	52	44.2 Å²	44.2	27%	0.267	25%	0.248	S	C	.	.	H	α-helix	trans	-64.2	-45.3	178.9	-71.2	169.5	0	0	0	111	L408 T409 V410 V415 K416 F913	L408-I412 HydrophobicContact CD1-CD1 4.07Å; L408-I412 HydrophobicContact CD1-CG1 4.33Å; L408-I412 HydrophobicContact CG-CD1 3.85Å; L408-I412 HydrophobicContact CG-CG1 4.49Å; L408-I412 WeakPolarHBondContact O-CB 3.44Å; L408-I412 VanDerWaalsContact O-CG1 3.28Å; L408-I412 WeakPolarHBondContact O-CG1 3.31Å; L408-I412 PolarHBondContact O-N 2.84Å; T409-I412 PolarHBondContact O-N 2.81Å; V410-I412 VanDerWaalsContact C-N 3.35Å; V410-I412 PolarHBondContact O-N 3.01Å; I412-V415 PolarHBondContact O-N 2.87Å; I412-K416 WeakPolarHBondContact O-CB 3.08Å; I412-K416 PolarHBondContact O-N 2.95Å; I412-F913 HydrophobicContact CD1-CE2 3.96Å; I412-F913 HydrophobicContact CD1-CZ 4.11Å
413	L	86.1	Confident	86.7	Confident	2 Å²	2	52.2 Å²	52.2	1%	0.01	28%	0.279	C	S	.	.	H	α-helix	trans	-63.3	-48.5	177.7	-71.8	170.9	0	0	0	111.8	T409 V410 V415 K416 F417 F441 I444 A916	T409-L413 HydrophobicContact CG2-CD1 4.01Å; T409-L413 WeakPolarHBondContact O-CG 3.39Å; T409-L413 PolarHBondContact O-N 3.27Å; V410-L413 PolarHBondContact O-N 3.36Å; L413-V415 PolarHBondContact O-N 2.7Å; L413-K416 PolarHBondContact O-N 3.07Å; L413-F417 WeakPolarHBondContact O-CB 3.38Å; L413-F417 PolarHBondContact O-N 2.94Å; L413-F441 HydrophobicContact CB-CB 4.08Å; L413-F441 HydrophobicContact CB-CD1 3.73Å; L413-F441 HydrophobicContact CB-CD2 4.11Å; L413-F441 HydrophobicContact CB-CE1 4.14Å; L413-F441 HydrophobicContact CB-CG 3.71Å; L413-F441 HydrophobicContact CD1-CB 4.26Å; L413-F441 HydrophobicContact CD1-CD1 3.88Å; L413-F441 HydrophobicContact CD1-CG 4.31Å; L413-F441 HydrophobicContact CD2-CD1 4.3Å; L413-F441 HydrophobicContact CD2-CE1 4.28Å; L413-F441 HydrophobicContact CG-CD1 4.19Å; L413-I444 HydrophobicContact CD1-CB 4.34Å; L413-I444 HydrophobicContact CD1-CD1 4.13Å; L413-I444 HydrophobicContact CD1-CG2 4.06Å; L413-A916 HydrophobicContact CD1-CB 4.1Å; L413-A916 HydrophobicContact CD2-CB 4.03Å; L413-A916 HydrophobicContact CG-CB 4.18Å
414	V	87.8	Confident	86.6	Confident	47 Å²	47	55.3 Å²	55.3	29%	0.285	29%	0.287	S	S	.	.	H	α-helix	trans	-55.5	-47.4	176.3	164.9	0	0	0	0	111.5	V410 S418 F438 F441	V410-V414 HydrophobicContact CG1-CG2 4.08Å; V410-V414 VanDerWaalsContact O-CB 3.3Å; V410-V414 WeakPolarHBondContact O-CB 3.39Å; V410-V414 WeakPolarHBondContact O-CG2 3.46Å; V410-V414 PolarHBondContact O-N 3.42Å; V414-S418 VanDerWaalsContact O-CB 3.26Å; V414-S418 WeakPolarHBondContact O-CB 3.13Å; V414-S418 PolarHBondContact O-N 3.27Å; V414-S418 PolarHBondContact O-OG 2.8Å; V414-F438 HydrophobicContact CB-CE1 4.44Å; V414-F438 HydrophobicContact CG1-CE1 4.1Å; V414-F438 HydrophobicContact CG2-CD1 4.05Å; V414-F438 HydrophobicContact CG2-CE1 4.23Å; V414-F441 HydrophobicContact CG2-CD2 4.31Å
415	V	88.8	Confident	86.2	Confident	79 Å²	79	58 Å²	58	48%	0.479	30%	0.3	S	S	.	.	H	α-helix	trans	-70.3	-45.4	-179.8	171.2	0	0	0	0	111.4	I411 I412 L413 F417 S418 V419	I411-V415 HydrophobicContact CG2-CG2 4.39Å; I411-V415 WeakPolarHBondContact O-CB 3.46Å; I411-V415 VanDerWaalsContact O-CG2 3.26Å; I411-V415 WeakPolarHBondContact O-CG2 3.45Å; I411-V415 PolarHBondContact O-N 2.87Å; I412-V415 PolarHBondContact O-N 2.87Å; L413-V415 PolarHBondContact O-N 2.7Å; V415-F417 PolarHBondContact O-N 2.86Å; V415-S418 PolarHBondContact O-N 3.2Å; V415-V419 HydrophobicContact CG1-CG2 4.3Å; V415-V419 WeakPolarHBondContact O-CB 3.39Å; V415-V419 WeakPolarHBondContact O-CG2 3.43Å; V415-V419 PolarHBondContact O-N 3.47Å
416	K	84.6	Confident	85.8	Confident	56 Å²	56	64.8 Å²	64.8	24%	0.243	33%	0.327	C	S	.	.	H	α-helix	trans	-61	-43.2	179.9	-173.9	175.9	179.4	-173.2	0	111.5	I412 L413 N420 C917 L918 T920	I412-K416 WeakPolarHBondContact O-CB 3.08Å; I412-K416 PolarHBondContact O-N 2.95Å; L413-K416 PolarHBondContact O-N 3.07Å; K416-N420 WeakPolarHBondContact O-CB 3.3Å; K416-N420 VanDerWaalsContact O-CG 3.26Å; K416-N420 PolarHBondContact O-N 3.06Å; K416-N420 VanDerWaalsContact O-N 3.09Å; K416-C917 PolarHBondContact NZ-O 3.35Å; K416-L918 PolarHBondContact NZ-O 3.21Å; K416-T920 HydrophobicContact CD-CG2 3.86Å; K416-T920 VanDerWaalsContact NZ-CG2 3.28Å
417	F	83.1	Confident	85.3	Confident	37 Å²	37	67.7 Å²	67.7	16%	0.162	34%	0.34	C	S	.	.	H	α-helix	trans	-65	-50.7	173.5	179.8	-106.6	0	0	0	111.9	L413 V415 V419 N420 T421 H434 Q437 F438 F441	L413-F417 WeakPolarHBondContact O-CB 3.38Å; L413-F417 PolarHBondContact O-N 2.94Å; V415-F417 PolarHBondContact O-N 2.86Å; F417-V419 VanDerWaalsContact C-N 3.29Å; F417-V419 PolarHBondContact O-N 3.1Å; F417-N420 PolarHBondContact O-N 3.46Å; F417-T421 WeakPolarHBondContact CD2-OG1 3.1Å; F417-T421 WeakPolarHBondContact CE2-OG1 3.3Å; F417-T421 HydrophobicContact CZ-CG2 4.22Å; F417-T421 WeakPolarHBondContact O-CB 3.29Å; F417-T421 PolarHBondContact O-N 2.62Å; F417-T421 PolarHBondContact O-OG1 3.03Å; F417-H434 AromaticContact CZ-CD2 3.8Å; F417-Q437 HydrophobicContact CD2-CG 4.03Å; F417-Q437 HydrophobicContact CE1-CB 4.37Å; F417-Q437 HydrophobicContact CE1-CG 4.39Å; F417-Q437 HydrophobicContact CE2-CB 4.39Å; F417-Q437 HydrophobicContact CE2-CG 3.77Å; F417-Q437 HydrophobicContact CG-CG 4.46Å; F417-Q437 HydrophobicContact CZ-CB 4.08Å; F417-Q437 HydrophobicContact CZ-CG 3.97Å; F417-F438 HydrophobicContact CD1-CE1 4.05Å; F417-F438 HydrophobicContact CD1-CE2 4.44Å; F417-F438 AromaticContact CD1-CZ 3.85Å; F417-F438 HydrophobicContact CD1-CZ 3.85Å; F417-F438 HydrophobicContact CE1-CE2 4.22Å; F417-F438 HydrophobicContact CE1-CZ 4.07Å; F417-F441 HydrophobicContact CB-CE2 3.47Å; F417-F441 VanDerWaalsContact CB-CE2 3.47Å; F417-F441 HydrophobicContact CB-CZ 3.67Å; F417-F441 HydrophobicContact CD1-CE2 4.04Å; F417-F441 HydrophobicContact CD2-CE2 4.38Å; F417-F441 HydrophobicContact CD2-CZ 4.16Å; F417-F441 AromaticContact CG-CE2 3.71Å; F417-F441 HydrophobicContact CG-CE2 3.71Å; F417-F441 AromaticContact CG-CZ 3.91Å; F417-F441 HydrophobicContact CG-CZ 3.91Å
418	S	85.7	Confident	84.7	Confident	37 Å²	37	73.8 Å²	73.8	26%	0.259	36%	0.363	S	S	.	.	H	α-helix	trans	-60.8	-37.9	-177.2	-58.1	0	0	0	0	112.8	V414 V415 F422	V414-S418 VanDerWaalsContact O-CB 3.26Å; V414-S418 WeakPolarHBondContact O-CB 3.13Å; V414-S418 PolarHBondContact O-N 3.27Å; V414-S418 PolarHBondContact O-OG 2.8Å; V415-S418 PolarHBondContact O-N 3.2Å; S418-F422 WeakPolarHBondContact O-CB 3.19Å; S418-F422 WeakPolarHBondContact O-CD2 3.44Å; S418-F422 PolarHBondContact O-N 3.46Å; S418-F422 VanDerWaalsContact O-N 3.09Å
419	V	86.7	Confident	84.1	Confident	61 Å²	61	76.5 Å²	76.5	37%	0.37	37%	0.367	S	S	.	.	I	π-helix	trans	-70.5	-45.4	175.7	171	0	0	0	0	111.3	V415 F417 Y423 F424	V415-V419 HydrophobicContact CG1-CG2 4.3Å; V415-V419 WeakPolarHBondContact O-CB 3.39Å; V415-V419 WeakPolarHBondContact O-CG2 3.43Å; V415-V419 PolarHBondContact O-N 3.47Å; F417-V419 VanDerWaalsContact C-N 3.29Å; F417-V419 PolarHBondContact O-N 3.1Å; V419-Y423 WeakPolarHBondContact O-CA 3.46Å; V419-Y423 VanDerWaalsContact O-CB 3.28Å; V419-Y423 WeakPolarHBondContact O-CB 3.27Å; V419-Y423 PolarHBondContact O-N 2.86Å; V419-Y423 VanDerWaalsContact O-N 3.16Å; V419-F424 HydrophobicContact CG1-CD2 3.86Å; V419-F424 HydrophobicContact CG1-CE2 3.64Å; V419-F424 PolarHBondContact O-N 3.36Å; V419-F424 VanDerWaalsContact O-N 3.07Å
420	N	83.5	Confident	83.6	Confident	71 Å²	71	80.4 Å²	80.4	38%	0.38	39%	0.388	S	S	.	.	I	π-helix	trans	-66	-49.4	179.8	-72.6	0.7	0	0	0	111.9	K416 F417 F424 N425	K416-N420 WeakPolarHBondContact O-CB 3.3Å; K416-N420 VanDerWaalsContact O-CG 3.26Å; K416-N420 PolarHBondContact O-N 3.06Å; K416-N420 VanDerWaalsContact O-N 3.09Å; F417-N420 PolarHBondContact O-N 3.46Å; N420-F424 WeakPolarHBondContact O-CB 3.37Å; N420-F424 PolarHBondContact O-N 3.42Å; N420-N425 PolarHBondContact O-N 3.06Å; N420-N425 PolarHBondContact O-OD1 3.08Å
421	T	82	Confident	82.9	Confident	11 Å²	11	83 Å²	83	7%	0.067	40%	0.404	C	S	.	.	I	π-helix	trans	-74	-49.7	-174.4	-52.1	0	0	0	0	112.5	F417 N425 K426 E427	F417-T421 WeakPolarHBondContact CD2-OG1 3.1Å; F417-T421 WeakPolarHBondContact CE2-OG1 3.3Å; F417-T421 HydrophobicContact CZ-CG2 4.22Å; F417-T421 WeakPolarHBondContact O-CB 3.29Å; F417-T421 PolarHBondContact O-N 2.62Å; F417-T421 PolarHBondContact O-OG1 3.03Å; T421-N425 WeakPolarHBondContact O-CB 3.27Å; T421-K426 PolarHBondContact O-N 3.05Å; T421-E427 HydrophobicContact CG2-CB 3.9Å; T421-E427 PolarHBondContact O-N 3.21Å; T421-E427 VanDerWaalsContact O-N 3.11Å
422	F	85.1	Confident	81.9	Confident	69 Å²	69	80.5 Å²	80.5	30%	0.303	40%	0.4	S	S	.	.	I	π-helix	trans	-91.3	-29.5	-172.4	-53.8	-58.6	0	0	0	114.2	S418 W429 H434	S418-F422 WeakPolarHBondContact O-CB 3.19Å; S418-F422 WeakPolarHBondContact O-CD2 3.44Å; S418-F422 PolarHBondContact O-N 3.46Å; S418-F422 VanDerWaalsContact O-N 3.09Å; F422-W429 HydrophobicContact CE1-CE3 4.03Å; F422-W429 HydrophobicContact CE2-CE3 4.46Å; F422-W429 HydrophobicContact CE2-CZ3 4.39Å; F422-W429 AromaticContact CZ-CE3 3.59Å; F422-W429 HydrophobicContact CZ-CE3 3.59Å; F422-W429 AromaticContact CZ-CZ3 3.81Å; F422-W429 HydrophobicContact CZ-CZ3 3.81Å; F422-H434 AromaticContact CE1-CE1 3.63Å; F422-H434 AromaticContact CE1-ND1 3.67Å; F422-H434 AromaticContact CZ-ND1 3.69Å
423	Y	84.9	Confident	81.2	Confident	168 Å²	168	85 Å²	85	66%	0.659	41%	0.414	S	S	*	.	I	π-helix	trans	-96.3	-46	-178.9	-177.9	-91.3	0	0	0	113	V419	V419-Y423 WeakPolarHBondContact O-CA 3.46Å; V419-Y423 VanDerWaalsContact O-CB 3.28Å; V419-Y423 WeakPolarHBondContact O-CB 3.27Å; V419-Y423 PolarHBondContact O-N 2.86Å; V419-Y423 VanDerWaalsContact O-N 3.16Å
424	F	84	Confident	80.9	Confident	132 Å²	132	85 Å²	85	58%	0.579	41%	0.414	S	S	*	.	I	π-helix	trans	-83.5	-57.1	179	-72.7	-69.4	0	0	0	113	V419 N420	V419-F424 HydrophobicContact CG1-CD2 3.86Å; V419-F424 HydrophobicContact CG1-CE2 3.64Å; V419-F424 PolarHBondContact O-N 3.36Å; V419-F424 VanDerWaalsContact O-N 3.07Å; N420-F424 WeakPolarHBondContact O-CB 3.37Å; N420-F424 PolarHBondContact O-N 3.42Å
425	N	81	Confident	80.3	Confident	104 Å²	104	86.5 Å²	86.5	56%	0.556	42%	0.42	S	S	*	.	I	π-helix	trans	-74.4	-27.5	-178.7	-65.3	5.8	0	0	0	113	N420 T421 E427	N420-N425 PolarHBondContact O-N 3.06Å; N420-N425 PolarHBondContact O-OD1 3.08Å; T421-N425 WeakPolarHBondContact O-CB 3.27Å; N425-E427 VanDerWaalsContact C-N 3.26Å; N425-E427 HydrophobicContact CB-CG 4.1Å; N425-E427 WeakPolarHBondContact CB-OE1 3.37Å; N425-E427 PolarHBondContact ND2-OE1 3.35Å; N425-E427 PolarHBondContact O-N 3.24Å
426	K	78.2	Confident	79.5	Confident	168 Å²	168	85.3 Å²	85.3	73%	0.73	41%	0.409	S	S	*	.			trans	58.7	33.2	-175.7	-54.8	177.4	-178.4	175.5	0	113.5	T421	T421-K426 PolarHBondContact O-N 3.05Å
427	E	77.3	Confident	79.1	Confident	68 Å²	68	84.9 Å²	84.9	32%	0.318	41%	0.408	S	S	.	.			trans	-64.3	138.3	174.8	-76.4	168.7	-110.5	0	0	110.3	T421 N425 R433	T421-E427 HydrophobicContact CG2-CB 3.9Å; T421-E427 PolarHBondContact O-N 3.21Å; T421-E427 VanDerWaalsContact O-N 3.11Å; N425-E427 VanDerWaalsContact C-N 3.26Å; N425-E427 HydrophobicContact CB-CG 4.1Å; N425-E427 WeakPolarHBondContact CB-OE1 3.37Å; N425-E427 PolarHBondContact ND2-OE1 3.35Å; N425-E427 PolarHBondContact O-N 3.24Å; E427-R433 IonicContact OE2-NH1 2.71Å; E427-R433 PolarHBondContact OE2-NH1 2.71Å
428	Q	76.8	Confident	79	Confident	183 Å²	183	85 Å²	85	86%	0.855	41%	0.408	S	S	*	.			trans	-71	155.9	173.9	-67	-171.1	1.9	0	0	110.5	D430 H434	Q428-D430 PolarHBondContact O-N 3.11Å; Q428-H434 PolarHBondContact O-CE1 3.04Å; Q428-H434 VanDerWaalsContact O-CE1 3.29Å
429	W	77.3	Confident	78.6	Confident	137 Å²	137	84.1 Å²	84.1	52%	0.519	40%	0.402	S	S	.	.			trans	-69.4	102.8	-180	178.3	-84.9	0	0	0	111.5	F422 T431 H434 F438	F422-W429 HydrophobicContact CE1-CE3 4.03Å; F422-W429 HydrophobicContact CE2-CE3 4.46Å; F422-W429 HydrophobicContact CE2-CZ3 4.39Å; F422-W429 AromaticContact CZ-CE3 3.59Å; F422-W429 HydrophobicContact CZ-CE3 3.59Å; F422-W429 AromaticContact CZ-CZ3 3.81Å; F422-W429 HydrophobicContact CZ-CZ3 3.81Å; W429-T431 PolarHBondContact NE1-OG1 2.94Å; W429-H434 HydrophobicContact CE3-CB 4.37Å; W429-H434 AromaticContact CE3-ND1 3.93Å; W429-H434 HydrophobicContact CH2-CB 4.11Å; W429-H434 HydrophobicContact CZ2-CB 4.38Å; W429-H434 HydrophobicContact CZ3-CB 4.11Å; W429-F438 HydrophobicContact CH2-CD2 4.22Å; W429-F438 AromaticContact CH2-CE2 3.86Å; W429-F438 HydrophobicContact CH2-CE2 3.86Å; W429-F438 AromaticContact CZ3-CE2 3.86Å; W429-F438 HydrophobicContact CZ3-CE2 3.86Å
430	D	75.6	Confident	78.1	Confident	83 Å²	83	82.6 Å²	82.6	44%	0.444	39%	0.391	S	S	.	.			trans	-86.6	118.9	157	171.7	28.3	0	0	0	109.8	Q428 G432 R433 H434	Q428-D430 PolarHBondContact O-N 3.11Å; D430-G432 VanDerWaalsContact C-N 3.29Å; D430-G432 PolarHBondContact O-N 3.24Å; D430-G432 PolarHBondContact OD1-N 2.8Å; D430-R433 HydrophobicContact CB-CB 4.48Å; D430-R433 WeakPolarHBondContact OD2-CB 3.44Å; D430-R433 PolarHBondContact OD2-N 2.81Å; D430-H434 PolarHBondContact N-ND1 3.41Å; D430-H434 VanDerWaalsContact O-CB 3.24Å; D430-H434 WeakPolarHBondContact O-CB 3.49Å; D430-H434 VanDerWaalsContact O-CG 3.28Å; D430-H434 PolarHBondContact O-N 3.26Å; D430-H434 PolarHBondContact O-ND1 2.78Å
431	T	73.2	Confident	78.1	Confident	87 Å²	87	79.7 Å²	79.7	53%	0.534	38%	0.375	S	S	.	.	H	α-helix	trans	-64.6	-31.5	177.1	-57	0	0	0	0	112.5	W429 L435	W429-T431 PolarHBondContact NE1-OG1 2.94Å; T431-L435 WeakPolarHBondContact O-CB 3.28Å; T431-L435 PolarHBondContact O-N 2.62Å
432	G	69.6	Low	78	Confident	38 Å²	38	83.4 Å²	83.4	39%	0.392	39%	0.393	S	S	.	.	H	α-helix	trans	-68.5	-66.7	180	0	0	0	0	0	111.8	D430 H434 H436	D430-G432 VanDerWaalsContact C-N 3.29Å; D430-G432 PolarHBondContact O-N 3.24Å; D430-G432 PolarHBondContact OD1-N 2.8Å; G432-H434 PolarHBondContact O-N 3.27Å; G432-H436 PolarHBondContact O-N 2.96Å
433	R	73.4	Confident	77.6	Confident	146 Å²	146	80.7 Å²	80.7	55%	0.551	38%	0.382	S	S	*	.	H	α-helix	trans	-62.3	-42.2	-175.7	-170.9	177.2	-178.5	-137.1	1.7	112.9	E427 D430 Q437	E427-R433 IonicContact OE2-NH1 2.71Å; E427-R433 PolarHBondContact OE2-NH1 2.71Å; D430-R433 HydrophobicContact CB-CB 4.48Å; D430-R433 WeakPolarHBondContact OD2-CB 3.44Å; D430-R433 PolarHBondContact OD2-N 2.81Å; R433-Q437 PolarHBondContact O-N 3.1Å
434	H	79.9	Confident	77.3	Confident	4 Å²	4	73.9 Å²	73.9	2%	0.019	36%	0.357	C	S	.	.	H	α-helix	trans	-75	-38.4	-176.2	-60.2	159.8	0	0	0	112.9	F417 F422 Q428 W429 D430 G432 H436 Q437 F438	F417-H434 AromaticContact CZ-CD2 3.8Å; F422-H434 AromaticContact CE1-CE1 3.63Å; F422-H434 AromaticContact CE1-ND1 3.67Å; F422-H434 AromaticContact CZ-ND1 3.69Å; Q428-H434 PolarHBondContact O-CE1 3.04Å; Q428-H434 VanDerWaalsContact O-CE1 3.29Å; W429-H434 HydrophobicContact CE3-CB 4.37Å; W429-H434 AromaticContact CE3-ND1 3.93Å; W429-H434 HydrophobicContact CH2-CB 4.11Å; W429-H434 HydrophobicContact CZ2-CB 4.38Å; W429-H434 HydrophobicContact CZ3-CB 4.11Å; D430-H434 PolarHBondContact N-ND1 3.41Å; D430-H434 VanDerWaalsContact O-CB 3.24Å; D430-H434 WeakPolarHBondContact O-CB 3.49Å; D430-H434 VanDerWaalsContact O-CG 3.28Å; D430-H434 PolarHBondContact O-N 3.26Å; D430-H434 PolarHBondContact O-ND1 2.78Å; G432-H434 PolarHBondContact O-N 3.27Å; H434-H436 VanDerWaalsContact C-N 3.34Å; H434-H436 PolarHBondContact O-N 2.9Å; H434-Q437 PolarHBondContact O-N 3.48Å; H434-F438 HydrophobicContact CB-CE2 4.45Å; H434-F438 WeakPolarHBondContact O-CD2 3.43Å; H434-F438 PolarHBondContact O-N 2.85Å
435	L	76.2	Confident	77.2	Confident	78 Å²	78	67.8 Å²	67.8	41%	0.408	33%	0.331	S	S	.	.	H	α-helix	trans	-64	-41	176.3	-176	62.4	0	0	0	111.4	L92 T431 Q437 F438 V439	L92-L435 HydrophobicContact CD2-CD2 4.36Å; T431-L435 WeakPolarHBondContact O-CB 3.28Å; T431-L435 PolarHBondContact O-N 2.62Å; L435-Q437 VanDerWaalsContact C-N 3.33Å; L435-Q437 PolarHBondContact O-N 3.13Å; L435-F438 PolarHBondContact O-N 3.31Å; L435-V439 WeakPolarHBondContact O-CG2 3.32Å; L435-V439 PolarHBondContact O-N 3.38Å
436	H	72	Confident	77.3	Confident	53 Å²	53	63.6 Å²	63.6	25%	0.245	31%	0.309	C	S	.	.	H	α-helix	trans	-56.9	-46	173.5	-176.2	-92.9	0	0	0	111.8	G432 H434 F438 V439 Q440	G432-H436 PolarHBondContact O-N 2.96Å; H434-H436 VanDerWaalsContact C-N 3.34Å; H434-H436 PolarHBondContact O-N 2.9Å; H436-F438 PolarHBondContact O-N 2.9Å; H436-V439 PolarHBondContact O-N 2.83Å; H436-Q440 PolarHBondContact CE1-NE2 2.97Å; H436-Q440 PolarHBondContact O-N 2.69Å
437	Q	75.9	Confident	77.2	Confident	47 Å²	47	56.3 Å²	56.3	22%	0.22	28%	0.278	C	S	.	.	H	α-helix	trans	-63.2	-40.6	178.4	-157.6	66.9	61.8	0	0	112.8	F417 R433 H434 L435 Q440 F441	F417-Q437 HydrophobicContact CD2-CG 4.03Å; F417-Q437 HydrophobicContact CE1-CB 4.37Å; F417-Q437 HydrophobicContact CE1-CG 4.39Å; F417-Q437 HydrophobicContact CE2-CB 4.39Å; F417-Q437 HydrophobicContact CE2-CG 3.77Å; F417-Q437 HydrophobicContact CG-CG 4.46Å; F417-Q437 HydrophobicContact CZ-CB 4.08Å; F417-Q437 HydrophobicContact CZ-CG 3.97Å; R433-Q437 PolarHBondContact O-N 3.1Å; H434-Q437 PolarHBondContact O-N 3.48Å; L435-Q437 VanDerWaalsContact C-N 3.33Å; L435-Q437 PolarHBondContact O-N 3.13Å; Q437-Q440 PolarHBondContact O-N 2.84Å; Q437-F441 HydrophobicContact CG-CE1 4.16Å; Q437-F441 HydrophobicContact CG-CE2 3.91Å; Q437-F441 HydrophobicContact CG-CZ 3.57Å; Q437-F441 WeakPolarHBondContact O-CD2 3.24Å; Q437-F441 WeakPolarHBondContact O-CG 3.42Å; Q437-F441 PolarHBondContact O-N 3.48Å; Q437-F441 VanDerWaalsContact O-N 3.09Å
438	F	81.5	Confident	77.5	Confident	39 Å²	39	53.3 Å²	53.3	17%	0.171	27%	0.265	C	S	.	.	H	α-helix	trans	-65.7	-37.3	175.1	-74.2	-59.1	0	0	0	112.8	V414 F417 W429 H434 L435 H436 F441 I442	V414-F438 HydrophobicContact CB-CE1 4.44Å; V414-F438 HydrophobicContact CG1-CE1 4.1Å; V414-F438 HydrophobicContact CG2-CD1 4.05Å; V414-F438 HydrophobicContact CG2-CE1 4.23Å; F417-F438 HydrophobicContact CD1-CE1 4.05Å; F417-F438 HydrophobicContact CD1-CE2 4.44Å; F417-F438 AromaticContact CD1-CZ 3.85Å; F417-F438 HydrophobicContact CD1-CZ 3.85Å; F417-F438 HydrophobicContact CE1-CE2 4.22Å; F417-F438 HydrophobicContact CE1-CZ 4.07Å; W429-F438 HydrophobicContact CH2-CD2 4.22Å; W429-F438 AromaticContact CH2-CE2 3.86Å; W429-F438 HydrophobicContact CH2-CE2 3.86Å; W429-F438 AromaticContact CZ3-CE2 3.86Å; W429-F438 HydrophobicContact CZ3-CE2 3.86Å; H434-F438 HydrophobicContact CB-CE2 4.45Å; H434-F438 WeakPolarHBondContact O-CD2 3.43Å; H434-F438 PolarHBondContact O-N 2.85Å; L435-F438 PolarHBondContact O-N 3.31Å; H436-F438 PolarHBondContact O-N 2.9Å; F438-F441 HydrophobicContact CD1-CD2 4.09Å; F438-F441 HydrophobicContact CD1-CE2 4.46Å; F438-F441 PolarHBondContact O-N 2.85Å; F438-I442 WeakPolarHBondContact O-CG1 3.48Å; F438-I442 PolarHBondContact O-N 3.15Å; F438-I442 VanDerWaalsContact O-N 3.1Å
439	V	77.3	Confident	77.8	Confident	20 Å²	20	47 Å²	47	12%	0.121	24%	0.236	C	C	.	.	H	α-helix	trans	-65.1	-41.5	173.5	166.9	0	0	0	0	111.3	V88 L92 L435 H436 F441 I442 I443	V88-V439 HydrophobicContact CG1-CG1 3.98Å; V88-V439 HydrophobicContact CG1-CG2 3.97Å; L92-V439 HydrophobicContact CD1-CB 4.01Å; L92-V439 HydrophobicContact CD1-CG1 4.13Å; L92-V439 HydrophobicContact CD1-CG2 3.84Å; L435-V439 WeakPolarHBondContact O-CG2 3.32Å; L435-V439 PolarHBondContact O-N 3.38Å; H436-V439 PolarHBondContact O-N 2.83Å; V439-F441 VanDerWaalsContact C-N 3.33Å; V439-F441 PolarHBondContact O-N 3.35Å; V439-I442 WeakPolarHBondContact O-CB 3.48Å; V439-I442 PolarHBondContact O-N 2.96Å; V439-I442 VanDerWaalsContact O-N 3.14Å; V439-I443 HydrophobicContact CG1-CD1 3.76Å; V439-I443 HydrophobicContact CG1-CG1 4.41Å; V439-I443 WeakPolarHBondContact O-CG1 3.3Å; V439-I443 PolarHBondContact O-N 3.28Å
440	Q	74.9	Confident	77.8	Confident	28 Å²	28	40.6 Å²	40.6	13%	0.131	21%	0.213	C	C	.	.	H	α-helix	trans	-58.7	-41.2	172.9	-74.6	-172.8	-35.5	0	0	112.7	H436 Q437 I442 I443 I444	H436-Q440 PolarHBondContact CE1-NE2 2.97Å; H436-Q440 PolarHBondContact O-N 2.69Å; Q437-Q440 PolarHBondContact O-N 2.84Å; Q440-I442 VanDerWaalsContact C-N 3.33Å; Q440-I442 PolarHBondContact O-N 3.4Å; Q440-I443 PolarHBondContact O-N 2.98Å; Q440-I444 WeakPolarHBondContact O-CG1 3.2Å; Q440-I444 PolarHBondContact O-N 2.86Å
441	F	83.2	Confident	78	Confident	10 Å²	10	36.8 Å²	36.8	4%	0.044	19%	0.193	C	C	.	.	H	α-helix	trans	-64.5	-36.9	175.2	-58.1	-30.4	0	0	0	112.7	L413 V414 F417 Q437 F438 V439 I444 G445	L413-F441 HydrophobicContact CB-CB 4.08Å; L413-F441 HydrophobicContact CB-CD1 3.73Å; L413-F441 HydrophobicContact CB-CD2 4.11Å; L413-F441 HydrophobicContact CB-CE1 4.14Å; L413-F441 HydrophobicContact CB-CG 3.71Å; L413-F441 HydrophobicContact CD1-CB 4.26Å; L413-F441 HydrophobicContact CD1-CD1 3.88Å; L413-F441 HydrophobicContact CD1-CG 4.31Å; L413-F441 HydrophobicContact CD2-CD1 4.3Å; L413-F441 HydrophobicContact CD2-CE1 4.28Å; L413-F441 HydrophobicContact CG-CD1 4.19Å; V414-F441 HydrophobicContact CG2-CD2 4.31Å; F417-F441 HydrophobicContact CB-CE2 3.47Å; F417-F441 VanDerWaalsContact CB-CE2 3.47Å; F417-F441 HydrophobicContact CB-CZ 3.67Å; F417-F441 HydrophobicContact CD1-CE2 4.04Å; F417-F441 HydrophobicContact CD2-CE2 4.38Å; F417-F441 HydrophobicContact CD2-CZ 4.16Å; F417-F441 AromaticContact CG-CE2 3.71Å; F417-F441 HydrophobicContact CG-CE2 3.71Å; F417-F441 AromaticContact CG-CZ 3.91Å; F417-F441 HydrophobicContact CG-CZ 3.91Å; Q437-F441 HydrophobicContact CG-CE1 4.16Å; Q437-F441 HydrophobicContact CG-CE2 3.91Å; Q437-F441 HydrophobicContact CG-CZ 3.57Å; Q437-F441 WeakPolarHBondContact O-CD2 3.24Å; Q437-F441 WeakPolarHBondContact O-CG 3.42Å; Q437-F441 PolarHBondContact O-N 3.48Å; Q437-F441 VanDerWaalsContact O-N 3.09Å; F438-F441 HydrophobicContact CD1-CD2 4.09Å; F438-F441 HydrophobicContact CD1-CE2 4.46Å; F438-F441 PolarHBondContact O-N 2.85Å; V439-F441 VanDerWaalsContact C-N 3.33Å; V439-F441 PolarHBondContact O-N 3.35Å; F441-I444 PolarHBondContact O-N 2.95Å; F441-G445 PolarHBondContact O-N 2.96Å
442	I	81.8	Confident	78.4	Confident	90 Å²	90	32.7 Å²	32.7	46%	0.462	17%	0.167	S	C	.	.	H	α-helix	trans	-64.8	-44.1	173.5	-67.4	166.7	0	0	0	110.5	F438 V439 Q440 I444 G445 V446	F438-I442 WeakPolarHBondContact O-CG1 3.48Å; F438-I442 PolarHBondContact O-N 3.15Å; F438-I442 VanDerWaalsContact O-N 3.1Å; V439-I442 WeakPolarHBondContact O-CB 3.48Å; V439-I442 PolarHBondContact O-N 2.96Å; V439-I442 VanDerWaalsContact O-N 3.14Å; Q440-I442 VanDerWaalsContact C-N 3.33Å; Q440-I442 PolarHBondContact O-N 3.4Å; I442-I444 VanDerWaalsContact C-N 3.34Å; I442-I444 PolarHBondContact O-N 2.93Å; I442-G445 CarbonylContact O-C 3.55Å; I442-G445 WeakPolarHBondContact O-CA 3.39Å; I442-G445 PolarHBondContact O-N 3.36Å; I442-V446 HydrophobicContact CG2-CG2 4.3Å; I442-V446 WeakPolarHBondContact O-CG2 3.42Å; I442-V446 PolarHBondContact O-N 2.91Å
443	I	76.6	Confident	78.8	Confident	11 Å²	11	32.5 Å²	32.5	6%	0.056	16%	0.159	C	C	.	.	H	α-helix	trans	-59.4	-43	177.1	-68.5	158.7	0	0	0	111.4	A85 S89 V439 Q440 G445 V446 T447 A926	A85-I443 HydrophobicContact CB-CG1 4.11Å; S89-I443 WeakPolarHBondContact OG-CD1 3.31Å; V439-I443 HydrophobicContact CG1-CD1 3.76Å; V439-I443 HydrophobicContact CG1-CG1 4.41Å; V439-I443 WeakPolarHBondContact O-CG1 3.3Å; V439-I443 PolarHBondContact O-N 3.28Å; Q440-I443 PolarHBondContact O-N 2.98Å; I443-G445 VanDerWaalsContact C-N 3.32Å; I443-G445 PolarHBondContact O-N 3.46Å; I443-V446 PolarHBondContact O-N 3.07Å; I443-T447 WeakPolarHBondContact O-CB 3.47Å; I443-T447 PolarHBondContact O-N 2.96Å; I443-T447 PolarHBondContact O-OG1 2.88Å; I443-A926 HydrophobicContact CG2-CB 4.43Å
444	I	77.6	Confident	78.8	Confident	26 Å²	26	25.8 Å²	25.8	13%	0.133	13%	0.134	C	C	.	.	H	α-helix	trans	-60.3	-44.2	173.9	-67.4	165.6	0	0	0	110.3	T409 L413 Q440 F441 I442 T447 V448	T409-I444 HydrophobicContact CG2-CG2 4.12Å; L413-I444 HydrophobicContact CD1-CB 4.34Å; L413-I444 HydrophobicContact CD1-CD1 4.13Å; L413-I444 HydrophobicContact CD1-CG2 4.06Å; Q440-I444 WeakPolarHBondContact O-CG1 3.2Å; Q440-I444 PolarHBondContact O-N 2.86Å; F441-I444 PolarHBondContact O-N 2.95Å; I442-I444 VanDerWaalsContact C-N 3.34Å; I442-I444 PolarHBondContact O-N 2.93Å; I444-T447 PolarHBondContact O-N 3.01Å; I444-V448 WeakPolarHBondContact O-CG2 3.18Å; I444-V448 PolarHBondContact O-N 3.39Å
445	G	83.1	Confident	78.4	Confident	4 Å²	4	28 Å²	28	4%	0.041	14%	0.144	C	C	.	.	H	α-helix	trans	-59	-48.2	174.9	0	0	0	0	0	114	A406 F441 I442 I443 T447 V448 L449	A406-G445 WeakPolarHBondContact CB-O 3.39Å; F441-G445 PolarHBondContact O-N 2.96Å; I442-G445 CarbonylContact O-C 3.55Å; I442-G445 WeakPolarHBondContact O-CA 3.39Å; I442-G445 PolarHBondContact O-N 3.36Å; I443-G445 VanDerWaalsContact C-N 3.32Å; I443-G445 PolarHBondContact O-N 3.46Å; G445-T447 VanDerWaalsContact C-N 3.34Å; G445-V448 PolarHBondContact O-N 3.07Å; G445-L449 PolarHBondContact O-N 3.07Å
446	V	81.6	Confident	78	Confident	16 Å²	16	24.6 Å²	24.6	10%	0.097	13%	0.127	C	C	.	.	H	α-helix	trans	-63.5	-41.4	177	176.3	0	0	0	0	110.7	V81 L82 I442 I443 V448 L449 V450	V81-V446 HydrophobicContact CG1-CB 4.42Å; V81-V446 HydrophobicContact CG1-CG1 3.85Å; V81-V446 HydrophobicContact CG1-CG2 3.59Å; L82-V446 HydrophobicContact CD1-CG1 3.82Å; I442-V446 HydrophobicContact CG2-CG2 4.3Å; I442-V446 WeakPolarHBondContact O-CG2 3.42Å; I442-V446 PolarHBondContact O-N 2.91Å; I443-V446 PolarHBondContact O-N 3.07Å; V446-V448 PolarHBondContact O-N 2.73Å; V446-L449 WeakPolarHBondContact O-CB 3.48Å; V446-L449 PolarHBondContact O-N 3.34Å; V446-L449 VanDerWaalsContact O-N 3.11Å; V446-V450 HydrophobicContact CG1-CG2 4.32Å; V446-V450 WeakPolarHBondContact O-CG2 3.2Å; V446-V450 PolarHBondContact O-N 2.82Å
447	T	77.2	Confident	78.2	Confident	14 Å²	14	22.4 Å²	22.4	9%	0.086	12%	0.118	C	C	.	.	H	α-helix	trans	-60.9	-43.5	176.8	-55.8	0	0	0	0	111.3	I443 I444 G445 L449 V450 V451 M929	I443-T447 WeakPolarHBondContact O-CB 3.47Å; I443-T447 PolarHBondContact O-N 2.96Å; I443-T447 PolarHBondContact O-OG1 2.88Å; I444-T447 PolarHBondContact O-N 3.01Å; G445-T447 VanDerWaalsContact C-N 3.34Å; T447-L449 VanDerWaalsContact C-N 3.31Å; T447-L449 PolarHBondContact O-N 2.69Å; T447-V450 PolarHBondContact O-N 3.27Å; T447-V451 WeakPolarHBondContact O-CB 3.42Å; T447-V451 VanDerWaalsContact O-CG2 3.27Å; T447-V451 WeakPolarHBondContact O-CG2 3.23Å; T447-V451 PolarHBondContact O-N 3.19Å; T447-V451 VanDerWaalsContact O-N 3.09Å; T447-M929 HydrophobicContact CG2-CB 3.57Å; T447-M929 HydrophobicContact CG2-CG 3.77Å
448	V	82.1	Confident	77.9	Confident	5 Å²	5	23.8 Å²	23.8	3%	0.03	13%	0.131	C	C	.	.	H	α-helix	trans	-63.9	-35.2	174.3	171.2	0	0	0	0	111.9	V405 A406 I444 G445 V446 A452 A912	V405-V448 HydrophobicContact CG1-CG1 4.32Å; A406-V448 HydrophobicContact CB-CB 4.33Å; A406-V448 HydrophobicContact CB-CG1 4.1Å; I444-V448 WeakPolarHBondContact O-CG2 3.18Å; I444-V448 PolarHBondContact O-N 3.39Å; G445-V448 PolarHBondContact O-N 3.07Å; V446-V448 PolarHBondContact O-N 2.73Å; V448-A452 VanDerWaalsContact O-CB 3.25Å; V448-A452 WeakPolarHBondContact O-CB 3.46Å; V448-A452 PolarHBondContact O-N 2.92Å; V448-A452 VanDerWaalsContact O-N 3.13Å; V448-A912 HydrophobicContact CG2-CB 3.64Å
449	L	83.3	Confident	77.3	Confident	50 Å²	50	22.8 Å²	22.8	26%	0.262	13%	0.127	S	C	.	.	H	α-helix	trans	-68.7	-48.8	175.9	178.5	58.8	0	0	0	112.1	A406 G445 V446 T447 V451 A452 V453	A406-L449 HydrophobicContact CB-CB 3.98Å; G445-L449 PolarHBondContact O-N 3.07Å; V446-L449 WeakPolarHBondContact O-CB 3.48Å; V446-L449 PolarHBondContact O-N 3.34Å; V446-L449 VanDerWaalsContact O-N 3.11Å; T447-L449 VanDerWaalsContact C-N 3.31Å; T447-L449 PolarHBondContact O-N 2.69Å; L449-V451 PolarHBondContact O-N 3.26Å; L449-A452 PolarHBondContact O-N 3.38Å; L449-A452 VanDerWaalsContact O-N 3.08Å; L449-V453 HydrophobicContact CD1-CG2 4.2Å; L449-V453 WeakPolarHBondContact O-CG2 3.44Å; L449-V453 PolarHBondContact O-N 3.06Å
450	V	78.1	Confident	77.4	Confident	3 Å²	3	21.9 Å²	21.9	2%	0.018	12%	0.122	C	C	.	.	H	α-helix	trans	-56.8	-50.6	178.6	170.7	0	0	0	0	110.3	V446 T447 A452 V453 L930	V446-V450 HydrophobicContact CG1-CG2 4.32Å; V446-V450 WeakPolarHBondContact O-CG2 3.2Å; V446-V450 PolarHBondContact O-N 2.82Å; T447-V450 PolarHBondContact O-N 3.27Å; V450-A452 PolarHBondContact O-N 3.45Å; V450-V453 PolarHBondContact O-N 2.95Å; V450-V453 VanDerWaalsContact O-N 3.09Å; V450-L930 HydrophobicContact CG1-CD2 4.23Å
451	V	79.5	Confident	77.5	Confident	4 Å²	4	20.9 Å²	20.9	2%	0.024	12%	0.118	C	C	.	.	H	α-helix	trans	-64.4	-25.3	178.6	172.9	0	0	0	0	112.6	T447 L449 N905 A908 M929	T447-V451 WeakPolarHBondContact O-CB 3.42Å; T447-V451 VanDerWaalsContact O-CG2 3.27Å; T447-V451 WeakPolarHBondContact O-CG2 3.23Å; T447-V451 PolarHBondContact O-N 3.19Å; T447-V451 VanDerWaalsContact O-N 3.09Å; L449-V451 PolarHBondContact O-N 3.26Å; V451-N905 PolarHBondContact O-OD1 3.1Å; V451-A908 HydrophobicContact CG1-CB 3.62Å; V451-M929 HydrophobicContact CB-CE 4.26Å; V451-M929 HydrophobicContact CG1-CE 3.9Å; V451-M929 HydrophobicContact CG2-CB 3.95Å; V451-M929 HydrophobicContact CG2-CE 3.75Å
452	A	82.2	Confident	77	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-79.9	-20.2	175.9	0	0	0	0	0	113.6	I398 G402 V448 L449 V450 P454 I909	I398-A452 WeakPolarHBondContact CG2-O 3.2Å; G402-A452 VanDerWaalsContact CA-CB 3.44Å; V448-A452 VanDerWaalsContact O-CB 3.25Å; V448-A452 WeakPolarHBondContact O-CB 3.46Å; V448-A452 PolarHBondContact O-N 2.92Å; V448-A452 VanDerWaalsContact O-N 3.13Å; L449-A452 PolarHBondContact O-N 3.38Å; L449-A452 VanDerWaalsContact O-N 3.08Å; V450-A452 PolarHBondContact O-N 3.45Å; A452-P454 WeakPolarHBondContact O-CD 3.43Å; A452-I909 HydrophobicContact CB-CD1 3.66Å; A452-I909 HydrophobicContact CB-CG1 4.03Å
453	V	76.9	Confident	76.8	Confident	35 Å²	35	18.9 Å²	18.9	21%	0.212	11%	0.109	C	C	.	.	S	Bend	trans	-93.7	117.5	-177.7	176.1	0	0	0	0	110.1	L449 V450 E455	L449-V453 HydrophobicContact CD1-CG2 4.2Å; L449-V453 WeakPolarHBondContact O-CG2 3.44Å; L449-V453 PolarHBondContact O-N 3.06Å; V450-V453 PolarHBondContact O-N 2.95Å; V450-V453 VanDerWaalsContact O-N 3.09Å; V453-E455 HydrophobicContact CG1-CG 3.92Å; V453-E455 PolarHBondContact O-N 2.97Å
454	P	74.7	Confident	77.1	Confident	5 Å²	5	18.4 Å²	18.4	3%	0.032	11%	0.106	C	C	.	.			trans	-81.1	84.6	177.4	33	-34.3	0	0	0	110.8	A395 I398 A452 L457 Q901	A395-P454 HydrophobicContact CB-CG 4.45Å; I398-P454 HydrophobicContact CD1-CG 4.38Å; A452-P454 WeakPolarHBondContact O-CD 3.43Å; P454-L457 HydrophobicContact CB-CB 3.98Å; P454-L457 HydrophobicContact CB-CD1 4.31Å; P454-L457 HydrophobicContact CG-CB 4.44Å; P454-L457 HydrophobicContact CG-CD1 4.21Å; P454-L457 PolarHBondContact O-N 3.23Å; P454-Q901 VanDerWaalsContact CB-NE2 3.26Å
455	E	69.9	Low	77.3	Confident	51 Å²	51	17.3 Å²	17.3	24%	0.238	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-35.8	-174.3	-66.2	-179.5	169.6	0	0	112.7	T78 V453 P458 D937	T78-E455 VanDerWaalsContact CB-OE1 3.28Å; T78-E455 WeakPolarHBondContact CB-OE1 3.5Å; T78-E455 PolarHBondContact OG1-OE1 2.98Å; V453-E455 HydrophobicContact CG1-CG 3.92Å; V453-E455 PolarHBondContact O-N 2.97Å; E455-P458 WeakPolarHBondContact O-CD 3.32Å; E455-D937 PolarHBondContact N-OD2 3.25Å
456	G	68.3	Low	77	Confident	5 Å²	5	17.5 Å²	17.5	5%	0.052	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	1.6	178.3	0	0	0	0	0	114.9	L459 A460 D937	G456-L459 CarbonylContact O-C 3.55Å; G456-L459 WeakPolarHBondContact O-CA 3.41Å; G456-L459 WeakPolarHBondContact O-CB 3.48Å; G456-L459 PolarHBondContact O-N 3.33Å; G456-A460 WeakPolarHBondContact O-CB 3.31Å; G456-A460 PolarHBondContact O-N 3.28Å; G456-D937 VanDerWaalsContact C-OD1 3.27Å; G456-D937 WeakPolarHBondContact CA-OD1 3.36Å; G456-D937 PolarHBondContact N-OD1 3Å; G456-D937 VanDerWaalsContact N-OD1 3.08Å; G456-D937 PolarHBondContact N-OD2 3.25Å
457	L	75.7	Confident	77	Confident	7 Å²	7	19.4 Å²	19.4	4%	0.037	11%	0.108	C	C	.	.	H	α-helix	trans	-63	-43.4	174.3	175.5	159.2	0	0	0	113	L391 P454 L459 V461 F897 L898	L391-L457 HydrophobicContact CB-CD2 3.97Å; L391-L457 HydrophobicContact CD1-CD2 4.38Å; L391-L457 HydrophobicContact CD2-CD1 4.42Å; L391-L457 HydrophobicContact CD2-CD2 4.08Å; L391-L457 HydrophobicContact CD2-CG 4.46Å; L391-L457 HydrophobicContact CG-CD2 4.38Å; P454-L457 HydrophobicContact CB-CB 3.98Å; P454-L457 HydrophobicContact CB-CD1 4.31Å; P454-L457 HydrophobicContact CG-CB 4.44Å; P454-L457 HydrophobicContact CG-CD1 4.21Å; P454-L457 PolarHBondContact O-N 3.23Å; L457-L459 VanDerWaalsContact C-N 3.29Å; L457-L459 PolarHBondContact O-N 3.49Å; L457-V461 WeakPolarHBondContact O-CG2 3.29Å; L457-V461 PolarHBondContact O-N 3.13Å; L457-F897 HydrophobicContact CB-CE1 4.46Å; L457-L898 HydrophobicContact CD1-CD1 4.06Å
458	P	69.6	Low	77.4	Confident	76 Å²	76	18.8 Å²	18.8	49%	0.494	10%	0.104	S	C	.	.	H	α-helix	trans	-63.3	-31.2	166.9	-23.4	34.9	0	0	0	113.9	E455 T462	E455-P458 WeakPolarHBondContact O-CD 3.32Å; P458-T462 PolarHBondContact O-N 2.8Å; P458-T462 PolarHBondContact O-OG1 2.93Å
459	L	70.8	Confident	77.4	Confident	19 Å²	19	18.6 Å²	18.6	10%	0.099	10%	0.103	C	C	.	.	H	α-helix	trans	-69	-46.8	178.1	-178.8	63.1	0	0	0	111	N135 G456 L457 V461 T462 I463	N135-L459 HydrophobicContact CB-CD1 4.1Å; N135-L459 HydrophobicContact CB-CD2 4.09Å; G456-L459 CarbonylContact O-C 3.55Å; G456-L459 WeakPolarHBondContact O-CA 3.41Å; G456-L459 WeakPolarHBondContact O-CB 3.48Å; G456-L459 PolarHBondContact O-N 3.33Å; L457-L459 VanDerWaalsContact C-N 3.29Å; L457-L459 PolarHBondContact O-N 3.49Å; L459-V461 VanDerWaalsContact C-N 3.32Å; L459-V461 PolarHBondContact O-N 3.34Å; L459-T462 PolarHBondContact O-N 2.98Å; L459-I463 HydrophobicContact CD1-CD1 3.91Å; L459-I463 HydrophobicContact CD1-CG1 4.06Å; L459-I463 HydrophobicContact CD2-CD1 4.25Å; L459-I463 HydrophobicContact CG-CD1 3.73Å; L459-I463 HydrophobicContact CG-CG1 4.24Å; L459-I463 WeakPolarHBondContact O-CG1 3.35Å; L459-I463 PolarHBondContact O-N 3.21Å
460	A	77.8	Confident	77.4	Confident	1 Å²	1	21.5 Å²	21.5	1%	0.008	11%	0.113	C	C	.	.	H	α-helix	trans	-53.9	-45.6	177.6	0	0	0	0	0	112.4	G456 T462 S464 F897	G456-A460 WeakPolarHBondContact O-CB 3.31Å; G456-A460 PolarHBondContact O-N 3.28Å; A460-T462 VanDerWaalsContact C-N 3.34Å; A460-T462 PolarHBondContact O-N 2.83Å; A460-S464 WeakPolarHBondContact O-CB 3.34Å; A460-S464 PolarHBondContact O-N 3.42Å; A460-F897 HydrophobicContact CB-CD1 3.6Å; A460-F897 HydrophobicContact CB-CE1 3.62Å; A460-F897 HydrophobicContact CB-CG 4.24Å; A460-F897 HydrophobicContact CB-CZ 4.27Å
461	V	77.4	Confident	77.8	Confident	7 Å²	7	24.5 Å²	24.5	4%	0.042	13%	0.126	C	C	.	.	H	α-helix	trans	-59	-46.8	174.7	178.3	0	0	0	0	110.7	L391 L457 L459 S464 L465 I894	L391-V461 HydrophobicContact CD1-CG2 3.27Å; L457-V461 WeakPolarHBondContact O-CG2 3.29Å; L457-V461 PolarHBondContact O-N 3.13Å; L459-V461 VanDerWaalsContact C-N 3.32Å; L459-V461 PolarHBondContact O-N 3.34Å; V461-S464 PolarHBondContact O-N 2.76Å; V461-L465 HydrophobicContact CG1-CD1 3.92Å; V461-L465 WeakPolarHBondContact O-CB 3.46Å; V461-L465 WeakPolarHBondContact O-CG 3.27Å; V461-L465 PolarHBondContact O-N 2.84Å; V461-I894 HydrophobicContact CB-CD1 4.27Å; V461-I894 HydrophobicContact CG1-CD1 4.19Å; V461-I894 HydrophobicContact CG2-CD1 4.03Å; V461-I894 HydrophobicContact CG2-CG1 4.42Å; V461-I894 HydrophobicContact CG2-CG2 4.38Å
462	T	73.8	Confident	78.2	Confident	31 Å²	31	24.3 Å²	24.3	19%	0.19	13%	0.125	C	C	.	.	H	α-helix	trans	-70.1	-40	-175.7	-48.3	0	0	0	0	111.8	K139 P458 L459 A460 A466	K139-T462 HydrophobicContact CD-CG2 3.58Å; K139-T462 HydrophobicContact CG-CG2 3.97Å; P458-T462 PolarHBondContact O-N 2.8Å; P458-T462 PolarHBondContact O-OG1 2.93Å; L459-T462 PolarHBondContact O-N 2.98Å; A460-T462 VanDerWaalsContact C-N 3.34Å; A460-T462 PolarHBondContact O-N 2.83Å; T462-A466 VanDerWaalsContact O-CB 3.29Å; T462-A466 WeakPolarHBondContact O-CB 3.3Å; T462-A466 PolarHBondContact O-N 3.47Å
463	I	77.6	Confident	78.3	Confident	27 Å²	27	26.4 Å²	26.4	14%	0.138	14%	0.135	C	C	.	.	H	α-helix	trans	-64.4	-46.2	174.4	-69	176.5	0	0	0	110.4	L459 L465 A466 Y467 L942 T946	L459-I463 HydrophobicContact CD1-CD1 3.91Å; L459-I463 HydrophobicContact CD1-CG1 4.06Å; L459-I463 HydrophobicContact CD2-CD1 4.25Å; L459-I463 HydrophobicContact CG-CD1 3.73Å; L459-I463 HydrophobicContact CG-CG1 4.24Å; L459-I463 WeakPolarHBondContact O-CG1 3.35Å; L459-I463 PolarHBondContact O-N 3.21Å; I463-L465 PolarHBondContact O-N 3.32Å; I463-A466 PolarHBondContact O-N 2.97Å; I463-Y467 VanDerWaalsContact O-CB 3.24Å; I463-Y467 WeakPolarHBondContact O-CB 3.37Å; I463-Y467 PolarHBondContact O-N 2.71Å; I463-L942 HydrophobicContact CG2-CD1 4.17Å; I463-T946 HydrophobicContact CG2-CG2 4.3Å
464	S	82.1	Confident	78.8	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-60.3	-45	178.7	-157	0	0	0	0	111.6	A460 V461 S468 A945	A460-S464 WeakPolarHBondContact O-CB 3.34Å; A460-S464 PolarHBondContact O-N 3.42Å; V461-S464 PolarHBondContact O-N 2.76Å; S464-S468 WeakPolarHBondContact O-CB 3.39Å; S464-S468 PolarHBondContact O-N 3.1Å; S464-S468 PolarHBondContact O-OG 2.93Å; S464-A945 WeakPolarHBondContact CB-O 3.5Å; S464-A945 PolarHBondContact OG-O 2.9Å
465	L	82.2	Confident	79.5	Confident	4 Å²	4	34.5 Å²	34.5	2%	0.021	17%	0.169	C	C	.	.	H	α-helix	trans	-65.5	-49.3	177.2	-75	171.1	0	0	0	112.5	V461 I463 Y467 S468 V469 L482 C485 E486 V890	V461-L465 HydrophobicContact CG1-CD1 3.92Å; V461-L465 WeakPolarHBondContact O-CB 3.46Å; V461-L465 WeakPolarHBondContact O-CG 3.27Å; V461-L465 PolarHBondContact O-N 2.84Å; I463-L465 PolarHBondContact O-N 3.32Å; L465-Y467 PolarHBondContact O-N 3.47Å; L465-S468 PolarHBondContact O-N 2.9Å; L465-V469 WeakPolarHBondContact O-CB 3.3Å; L465-V469 WeakPolarHBondContact O-CG2 3.47Å; L465-V469 PolarHBondContact O-N 3.28Å; L465-L482 HydrophobicContact CB-CD1 4.46Å; L465-C485 HydrophobicContact CD2-CB 4.06Å; L465-E486 HydrophobicContact CD2-CB 4.36Å; L465-V890 HydrophobicContact CD2-CG1 3.93Å; L465-V890 HydrophobicContact CD2-CG2 4.43Å; L465-V890 HydrophobicContact CG-CG1 4.3Å
466	A	76.3	Confident	80.4	Confident	7 Å²	7	34.9 Å²	34.9	6%	0.058	17%	0.173	C	C	.	.	H	α-helix	trans	-62.9	-42.1	-179.2	0	0	0	0	0	112.1	T462 I463 K470	T462-A466 VanDerWaalsContact O-CB 3.29Å; T462-A466 WeakPolarHBondContact O-CB 3.3Å; T462-A466 PolarHBondContact O-N 3.47Å; I463-A466 PolarHBondContact O-N 2.97Å; A466-K470 VanDerWaalsContact O-CB 3.26Å; A466-K470 WeakPolarHBondContact O-CB 3.41Å; A466-K470 PolarHBondContact O-N 2.92Å; A466-K470 VanDerWaalsContact O-N 3.08Å
467	Y	81.2	Confident	81.4	Confident	56 Å²	56	34.6 Å²	34.6	22%	0.22	17%	0.17	C	C	.	.	H	α-helix	trans	-64.2	-44.8	174.1	179	-105.3	0	0	0	112.2	I463 L465 K470 K471 T946	I463-Y467 VanDerWaalsContact O-CB 3.24Å; I463-Y467 WeakPolarHBondContact O-CB 3.37Å; I463-Y467 PolarHBondContact O-N 2.71Å; L465-Y467 PolarHBondContact O-N 3.47Å; Y467-K470 PolarHBondContact O-N 3.4Å; Y467-K471 VanDerWaalsContact O-CG 3.25Å; Y467-K471 WeakPolarHBondContact O-CG 3.45Å; Y467-K471 PolarHBondContact O-N 2.92Å; Y467-K471 VanDerWaalsContact OH-CE 3.26Å; Y467-K471 WeakPolarHBondContact OH-CE 3.48Å; Y467-K471 PolarHBondContact OH-NZ 2.95Å; Y467-T946 HydrophobicContact CD1-CG2 4.28Å; Y467-T946 WeakPolarHBondContact CE1-O 3.41Å; Y467-T946 HydrophobicContact CG-CG2 4.26Å
468	S	85.7	Confident	81.9	Confident	1 Å²	1	35 Å²	35	1%	0.007	17%	0.172	C	C	.	.	H	α-helix	trans	-66.5	-43.8	179.4	-60	0	0	0	0	112	S464 L465 K470 K471 M472 V890	S464-S468 WeakPolarHBondContact O-CB 3.39Å; S464-S468 PolarHBondContact O-N 3.1Å; S464-S468 PolarHBondContact O-OG 2.93Å; L465-S468 PolarHBondContact O-N 2.9Å; S468-K470 PolarHBondContact O-N 2.84Å; S468-K471 CarbonylContact O-C 3.3Å; S468-K471 WeakPolarHBondContact O-CA 3.4Å; S468-K471 WeakPolarHBondContact O-CB 3.5Å; S468-K471 PolarHBondContact O-N 3.35Å; S468-M472 WeakPolarHBondContact O-CG 3.25Å; S468-M472 PolarHBondContact O-N 3.05Å; S468-V890 VanDerWaalsContact OG-CG2 3.29Å; S468-V890 WeakPolarHBondContact OG-CG2 3.41Å
469	V	83.2	Confident	82.7	Confident	2 Å²	2	31.7 Å²	31.7	1%	0.012	15%	0.151	C	C	.	.	H	α-helix	trans	-64	-40.9	177.6	166.9	0	0	0	0	111.6	L146 L465 K471 M472 M473 V479 L482 C485	L146-V469 HydrophobicContact CD1-CG1 3.73Å; L146-V469 HydrophobicContact CD2-CG1 4.01Å; L465-V469 WeakPolarHBondContact O-CB 3.3Å; L465-V469 WeakPolarHBondContact O-CG2 3.47Å; L465-V469 PolarHBondContact O-N 3.28Å; V469-K471 PolarHBondContact O-N 2.88Å; V469-M472 PolarHBondContact O-N 2.65Å; V469-M473 WeakPolarHBondContact O-CB 3.38Å; V469-M473 PolarHBondContact O-N 2.56Å; V469-V479 HydrophobicContact CG1-CB 3.94Å; V469-V479 HydrophobicContact CG1-CG2 4.45Å; V469-V479 HydrophobicContact CG2-CB 3.91Å; V469-V479 HydrophobicContact CG2-CG1 4.01Å; V469-V479 HydrophobicContact CG2-CG2 4.07Å; V469-L482 HydrophobicContact CB-CD2 4.2Å; V469-L482 HydrophobicContact CG1-CD2 4.3Å; V469-L482 HydrophobicContact CG2-CD2 3.72Å; V469-C485 HydrophobicContact CG2-CB 4.23Å
470	K	82.1	Confident	83.1	Confident	110 Å²	110	33.3 Å²	33.3	48%	0.478	16%	0.156	S	C	.	.	H	α-helix	trans	-62.2	-21.4	172.9	-175.8	173	179.5	175.9	0	113.5	A466 Y467 S468	A466-K470 VanDerWaalsContact O-CB 3.26Å; A466-K470 WeakPolarHBondContact O-CB 3.41Å; A466-K470 PolarHBondContact O-N 2.92Å; A466-K470 VanDerWaalsContact O-N 3.08Å; Y467-K470 PolarHBondContact O-N 3.4Å; S468-K470 PolarHBondContact O-N 2.84Å
471	K	87	Confident	82.9	Confident	67 Å²	67	35.7 Å²	35.7	29%	0.291	17%	0.167	S	C	.	.	H	α-helix	trans	-90	-43.2	172.5	-65.1	-90.7	-175.2	146.9	0	112	Y467 S468 V469 M473 K474 D475 W886	Y467-K471 VanDerWaalsContact O-CG 3.25Å; Y467-K471 WeakPolarHBondContact O-CG 3.45Å; Y467-K471 PolarHBondContact O-N 2.92Å; Y467-K471 VanDerWaalsContact OH-CE 3.26Å; Y467-K471 WeakPolarHBondContact OH-CE 3.48Å; Y467-K471 PolarHBondContact OH-NZ 2.95Å; S468-K471 CarbonylContact O-C 3.3Å; S468-K471 WeakPolarHBondContact O-CA 3.4Å; S468-K471 WeakPolarHBondContact O-CB 3.5Å; S468-K471 PolarHBondContact O-N 3.35Å; V469-K471 PolarHBondContact O-N 2.88Å; K471-M473 PolarHBondContact O-N 2.82Å; K471-K474 WeakPolarHBondContact O-CA 3.49Å; K471-K474 WeakPolarHBondContact O-CB 3.47Å; K471-K474 PolarHBondContact O-N 3.47Å; K471-D475 PolarHBondContact O-N 2.91Å; K471-D475 VanDerWaalsContact O-N 3.16Å; K471-W886 HydrophobicContact CB-CH2 3.4Å; K471-W886 HydrophobicContact CB-CZ2 3.4Å; K471-W886 HydrophobicContact CB-CZ3 4.04Å; K471-W886 HydrophobicContact CD-CH2 4.14Å; K471-W886 HydrophobicContact CD-CZ2 4.46Å; K471-W886 HydrophobicContact CG-CH2 3.68Å; K471-W886 HydrophobicContact CG-CZ2 4.13Å; K471-W886 HydrophobicContact CG-CZ3 4.33Å
472	M	87.8	Confident	82.8	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-54.6	-39.5	173.7	-77.1	-177.3	66.4	0	0	112.1	S468 V469 K474 D475 N476 N477 V479 C485 I870 A883 W886	S468-M472 WeakPolarHBondContact O-CG 3.25Å; S468-M472 PolarHBondContact O-N 3.05Å; V469-M472 PolarHBondContact O-N 2.65Å; M472-K474 PolarHBondContact O-N 3.44Å; M472-D475 CarbonylContact O-C 3.52Å; M472-D475 VanDerWaalsContact O-CA 3.25Å; M472-D475 WeakPolarHBondContact O-CA 3.2Å; M472-D475 WeakPolarHBondContact O-CB 3.39Å; M472-D475 PolarHBondContact O-N 3.28Å; M472-N476 PolarHBondContact O-N 2.7Å; M472-N477 CarbonylContact C-O 3.28Å; M472-N477 HydrophobicContact CB-CB 3.97Å; M472-N477 HydrophobicContact CE-CB 3.78Å; M472-N477 PolarHBondContact O-N 2.89Å; M472-V479 HydrophobicContact CB-CG2 4.4Å; M472-V479 HydrophobicContact CE-CG2 3.57Å; M472-V479 HydrophobicContact SD-CG2 4.01Å; M472-C485 HydrophobicContact SD-CB 4.28Å; M472-C485 PolarHBondContact SD-SG 3.05Å; M472-I870 HydrophobicContact CE-CD1 4.32Å; M472-A883 HydrophobicContact CE-CB 3.74Å; M472-W886 HydrophobicContact CG-CB 3.76Å; M472-W886 HydrophobicContact CG-CD2 4.08Å; M472-W886 HydrophobicContact CG-CG 3.5Å; M472-W886 HydrophobicContact SD-CB 3.68Å; M472-W886 HydrophobicContact SD-CG 4.13Å
473	M	85	Confident	83.1	Confident	43 Å²	43	38.7 Å²	38.7	21%	0.212	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-60.3	-26.6	172.8	179.6	-167	57.6	0	0	113.3	L146 K149 V469 K471 N477	L146-M473 HydrophobicContact CD2-CE 4.49Å; L146-M473 HydrophobicContact CD2-SD 4.02Å; K149-M473 HydrophobicContact CD-CE 4.36Å; K149-M473 HydrophobicContact CD-SD 3.45Å; K149-M473 WeakPolarHBondContact CD-SD 3.48Å; V469-M473 WeakPolarHBondContact O-CB 3.38Å; V469-M473 PolarHBondContact O-N 2.56Å; K471-M473 PolarHBondContact O-N 2.82Å; M473-N477 WeakPolarHBondContact CA-O 3.2Å; M473-N477 PolarHBondContact N-O 3.34Å; M473-N477 VanDerWaalsContact N-O 3.16Å
474	K	86.9	Confident	83.5	Confident	166 Å²	166	37.5 Å²	37.5	72%	0.722	18%	0.175	S	C	*	.	G	3₁₀ helix	trans	-84.6	-15.7	170.9	-63.3	-170.9	170.5	-161.2	0	113.2	K471 M472 N476	K471-K474 WeakPolarHBondContact O-CA 3.49Å; K471-K474 WeakPolarHBondContact O-CB 3.47Å; K471-K474 PolarHBondContact O-N 3.47Å; M472-K474 PolarHBondContact O-N 3.44Å; K474-N476 VanDerWaalsContact C-N 3.33Å
475	D	88.9	Confident	83.6	Confident	44 Å²	44	37.5 Å²	37.5	24%	0.235	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-98.2	26.8	173.9	-90.1	-42.3	0	0	0	111.4	K471 M472 N477 K882 W886	K471-D475 PolarHBondContact O-N 2.91Å; K471-D475 VanDerWaalsContact O-N 3.16Å; M472-D475 CarbonylContact O-C 3.52Å; M472-D475 VanDerWaalsContact O-CA 3.25Å; M472-D475 WeakPolarHBondContact O-CA 3.2Å; M472-D475 WeakPolarHBondContact O-CB 3.39Å; M472-D475 PolarHBondContact O-N 3.28Å; D475-N477 PolarHBondContact O-N 2.94Å; D475-N477 PolarHBondContact O-ND2 3.41Å; D475-K882 HydrophobicContact CB-CD 3.7Å; D475-K882 WeakPolarHBondContact OD1-CD 3.4Å; D475-K882 WeakPolarHBondContact OD1-CE 3.06Å; D475-K882 IonicContact OD1-NZ 2.74Å; D475-K882 PolarHBondContact OD1-NZ 3.14Å; D475-W886 PolarHBondContact OD2-NE1 3.27Å
476	N	88.6	Confident	83.8	Confident	59 Å²	59	37.4 Å²	37.4	32%	0.316	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	20.4	178.3	-55.1	-22.3	0	0	0	115.7	M472 K474 T873 D874	M472-N476 PolarHBondContact O-N 2.7Å; K474-N476 VanDerWaalsContact C-N 3.33Å; N476-T873 WeakPolarHBondContact CA-OG1 3.48Å; N476-T873 WeakPolarHBondContact CB-OG1 3.44Å; N476-T873 PolarHBondContact O-N 2.84Å; N476-T873 PolarHBondContact O-OG1 2.97Å; N476-D874 HydrophobicContact CB-CB 3.9Å; N476-D874 WeakPolarHBondContact CB-OD2 3.2Å; N476-D874 VanDerWaalsContact ND2-CG 3.34Å; N476-D874 PolarHBondContact ND2-OD2 3.1Å
477	N	88.8	Confident	84.4	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	100.7	176.5	-76.7	-96.6	0	0	0	110.3	M472 M473 D475 V479 I870 L872 S879	M472-N477 CarbonylContact C-O 3.28Å; M472-N477 HydrophobicContact CB-CB 3.97Å; M472-N477 HydrophobicContact CE-CB 3.78Å; M472-N477 PolarHBondContact O-N 2.89Å; M473-N477 WeakPolarHBondContact CA-O 3.2Å; M473-N477 PolarHBondContact N-O 3.34Å; M473-N477 VanDerWaalsContact N-O 3.16Å; D475-N477 PolarHBondContact O-N 2.94Å; D475-N477 PolarHBondContact O-ND2 3.41Å; N477-V479 PolarHBondContact O-N 3.21Å; N477-I870 HydrophobicContact CB-CG2 4.29Å; N477-L872 WeakPolarHBondContact OD1-CD2 3.47Å; N477-S879 WeakPolarHBondContact ND2-CB 3.4Å; N477-S879 PolarHBondContact ND2-O 3.03Å; N477-S879 PolarHBondContact OD1-O 3.3Å
478	L	87.2	Confident	84.8	Confident	14 Å²	14	35 Å²	35	7%	0.073	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	101.4	176.2	-178.9	63.5	0	0	0	109.9	I150 I870 I871 T873	I150-L478 HydrophobicContact CG1-CD1 3.89Å; I150-L478 HydrophobicContact CG1-CD2 4.16Å; I150-L478 HydrophobicContact CG1-CG 4.18Å; L478-I870 WeakPolarHBondContact O-CA 3.24Å; L478-I871 HydrophobicContact CB-CB 4.29Å; L478-I871 PolarHBondContact N-O 2.96Å; L478-I871 PolarHBondContact O-N 2.96Å; L478-T873 HydrophobicContact CB-CG2 3.87Å
479	V	86.1	Confident	85	Confident	8 Å²	8	35 Å²	35	5%	0.048	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	116.3	-178.3	-177.5	0	0	0	0	110.3	V469 M472 N477 H481 I870	V469-V479 HydrophobicContact CG1-CB 3.94Å; V469-V479 HydrophobicContact CG1-CG2 4.45Å; V469-V479 HydrophobicContact CG2-CB 3.91Å; V469-V479 HydrophobicContact CG2-CG1 4.01Å; V469-V479 HydrophobicContact CG2-CG2 4.07Å; M472-V479 HydrophobicContact CB-CG2 4.4Å; M472-V479 HydrophobicContact CE-CG2 3.57Å; M472-V479 HydrophobicContact SD-CG2 4.01Å; N477-V479 PolarHBondContact O-N 3.21Å; V479-H481 WeakPolarHBondContact CG1-O 3.48Å; V479-I870 HydrophobicContact CG1-CG1 4.36Å; V479-I870 HydrophobicContact CG2-CD1 4.26Å; V479-I870 HydrophobicContact CG2-CG1 4.18Å; V479-I870 HydrophobicContact CG2-CG2 4.38Å
480	R	79.4	Confident	85.3	Confident	53 Å²	53	35.3 Å²	35.3	20%	0.2	17%	0.167	C	C	.	.	S	Bend	trans	-83.1	-35.8	175.2	-59	176.6	74.9	-132	10.4	112	K865 E866 S868 D869 I871	R480-K865 WeakPolarHBondContact CD-O 3.43Å; R480-K865 PolarHBondContact NH1-O 2.93Å; R480-K865 VanDerWaalsContact NH1-O 3.09Å; R480-E866 PolarHBondContact NH1-O 3.07Å; R480-E866 IonicContact NH2-OE1 3.8Å; R480-E866 PolarHBondContact NH2-OE1 3.49Å; R480-S868 PolarHBondContact NH1-O 3.04Å; R480-D869 WeakPolarHBondContact CB-O 3.25Å; R480-D869 PolarHBondContact N-O 3.36Å; R480-I871 HydrophobicContact CG-CD1 4.41Å
481	H	73.8	Confident	85.7	Confident	51 Å²	51	30.1 Å²	30.1	24%	0.236	14%	0.144	C	C	.	.	S	Bend	trans	-121.7	113.7	-178.9	-63	-38.6	0	0	0	110.5	V479 D483 A484 D869	V479-H481 WeakPolarHBondContact CG1-O 3.48Å; H481-D483 VanDerWaalsContact C-N 3.25Å; H481-D483 PolarHBondContact O-N 2.82Å; H481-A484 WeakPolarHBondContact O-CB 3.34Å; H481-A484 PolarHBondContact O-N 3.45Å; H481-A484 VanDerWaalsContact O-N 3.1Å; H481-D869 HydrophobicContact CB-CB 4.23Å; H481-D869 IonicContact CD2-OD1 2.85Å; H481-D869 PolarHBondContact CD2-OD1 3.27Å; H481-D869 VanDerWaalsContact CD2-OD1 3.27Å; H481-D869 IonicContact CG-OD1 3.26Å; H481-D869 PolarHBondContact N-O 3.2Å
482	L	76	Confident	85.9	Confident	37 Å²	37	27.6 Å²	27.6	19%	0.194	14%	0.135	C	C	.	.	H	α-helix	trans	-58.4	-34.9	-169.6	-69.5	-168.7	0	0	0	113.7	F143 L465 V469 A484 C485	F143-L482 HydrophobicContact CE1-CD1 3.42Å; F143-L482 VanDerWaalsContact CE1-CD1 3.42Å; F143-L482 HydrophobicContact CE1-CD2 4.49Å; F143-L482 HydrophobicContact CE1-CG 4.02Å; F143-L482 HydrophobicContact CZ-CD1 3.44Å; F143-L482 VanDerWaalsContact CZ-CD1 3.44Å; F143-L482 HydrophobicContact CZ-CG 4.49Å; L465-L482 HydrophobicContact CB-CD1 4.46Å; V469-L482 HydrophobicContact CB-CD2 4.2Å; V469-L482 HydrophobicContact CG1-CD2 4.3Å; V469-L482 HydrophobicContact CG2-CD2 3.72Å; L482-A484 PolarHBondContact O-N 3Å; L482-C485 VanDerWaalsContact O-CB 3.26Å; L482-C485 WeakPolarHBondContact O-CB 3.2Å; L482-C485 PolarHBondContact O-N 3.31Å; L482-C485 VanDerWaalsContact O-N 3.16Å
483	D	78.9	Confident	86.1	Confident	63 Å²	63	27.6 Å²	27.6	34%	0.337	14%	0.135	S	C	.	.	H	α-helix	trans	-69.3	-19.8	-178.7	47.5	-32.5	0	0	0	113.6	S385 H481 C485 E486 T487	S385-D483 VanDerWaalsContact CB-CB 3.45Å; H481-D483 VanDerWaalsContact C-N 3.25Å; H481-D483 PolarHBondContact O-N 2.82Å; D483-C485 VanDerWaalsContact C-N 3.32Å; D483-E486 PolarHBondContact O-N 3.44Å; D483-T487 VanDerWaalsContact O-CB 3.31Å; D483-T487 WeakPolarHBondContact O-CB 3.35Å; D483-T487 PolarHBondContact O-N 3.1Å; D483-T487 PolarHBondContact O-OG1 2.89Å
484	A	85.6	Confident	86.6	Confident	2 Å²	2	25.5 Å²	25.5	2%	0.017	12%	0.124	C	C	.	.	H	α-helix	trans	-67.4	-30.9	169.8	0	0	0	0	0	112.7	H481 L482 T487 M488 V852 D869 I870	H481-A484 WeakPolarHBondContact O-CB 3.34Å; H481-A484 PolarHBondContact O-N 3.45Å; H481-A484 VanDerWaalsContact O-N 3.1Å; L482-A484 PolarHBondContact O-N 3Å; A484-T487 PolarHBondContact O-N 2.92Å; A484-M488 VanDerWaalsContact O-CB 3.29Å; A484-M488 WeakPolarHBondContact O-CB 3.36Å; A484-M488 PolarHBondContact O-N 3.46Å; A484-V852 HydrophobicContact CB-CG1 4.14Å; A484-V852 HydrophobicContact CB-CG2 4.15Å; A484-D869 HydrophobicContact CB-CB 3.43Å; A484-D869 VanDerWaalsContact CB-CB 3.43Å; A484-I870 HydrophobicContact CB-CD1 4.33Å; A484-I870 HydrophobicContact CB-CG1 4.23Å
485	C	86.1	Confident	87	Confident	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-60.5	-48.1	174.7	178.3	0	0	0	0	111.2	L465 V469 M472 L482 D483 G887	L465-C485 HydrophobicContact CD2-CB 4.06Å; V469-C485 HydrophobicContact CG2-CB 4.23Å; M472-C485 HydrophobicContact SD-CB 4.28Å; M472-C485 PolarHBondContact SD-SG 3.05Å; L482-C485 VanDerWaalsContact O-CB 3.26Å; L482-C485 WeakPolarHBondContact O-CB 3.2Å; L482-C485 PolarHBondContact O-N 3.31Å; L482-C485 VanDerWaalsContact O-N 3.16Å; D483-C485 VanDerWaalsContact C-N 3.32Å; C485-G887 WeakPolarHBondContact O-CA 3.41Å
486	E	86.2	Confident	87.1	Confident	2 Å²	2	15.7 Å²	15.7	1%	0.009	8%	0.08	C	C	.	.	H	α-helix	trans	-63.8	-49.1	173.7	175.6	-135.9	127.6	0	0	111.6	S385 L387 L465 D483 M488 G489	S385-E486 WeakPolarHBondContact CB-OE2 3.31Å; S385-E486 PolarHBondContact OG-OE2 2.84Å; L387-E486 HydrophobicContact CB-CG 3.85Å; L387-E486 WeakPolarHBondContact CB-OE1 3.36Å; L387-E486 VanDerWaalsContact CB-OE2 3.25Å; L387-E486 WeakPolarHBondContact CB-OE2 3.4Å; L387-E486 HydrophobicContact CD2-CG 4.19Å; L387-E486 PolarHBondContact N-OE1 2.95Å; L465-E486 HydrophobicContact CD2-CB 4.36Å; D483-E486 PolarHBondContact O-N 3.44Å; E486-M488 VanDerWaalsContact C-N 3.31Å; E486-M488 PolarHBondContact O-N 3Å; E486-G489 PolarHBondContact O-N 3.45Å
487	T	87.8	Confident	87.1	Confident	13 Å²	13	13.6 Å²	13.6	8%	0.08	7%	0.069	C	C	.	.	H	α-helix	trans	-63.1	-37.8	-173.3	-57.2	0	0	0	0	111.5	D483 A484 G489 N490 V833 D851 V852	D483-T487 VanDerWaalsContact O-CB 3.31Å; D483-T487 WeakPolarHBondContact O-CB 3.35Å; D483-T487 PolarHBondContact O-N 3.1Å; D483-T487 PolarHBondContact O-OG1 2.89Å; A484-T487 PolarHBondContact O-N 2.92Å; T487-G489 PolarHBondContact O-N 2.64Å; T487-N490 PolarHBondContact O-N 3.18Å; T487-V833 HydrophobicContact CG2-CG1 3.84Å; T487-D851 HydrophobicContact CG2-CB 3.92Å; T487-V852 HydrophobicContact CG2-CG2 4.02Å
488	M	90.7	Very high	86.9	Confident	0 Å²	0	14 Å²	14	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-61.5	-26.2	175.6	-165.4	60.7	-176	0	0	113.4	A484 E486 N490 A491 I494 A835 V852 F854 I880 A883 V884	A484-M488 VanDerWaalsContact O-CB 3.29Å; A484-M488 WeakPolarHBondContact O-CB 3.36Å; A484-M488 PolarHBondContact O-N 3.46Å; E486-M488 VanDerWaalsContact C-N 3.31Å; E486-M488 PolarHBondContact O-N 3Å; M488-N490 PolarHBondContact O-N 2.96Å; M488-A491 HydrophobicContact CE-CB 4.22Å; M488-A491 WeakPolarHBondContact O-CB 3.28Å; M488-A491 PolarHBondContact O-N 3.48Å; M488-A491 HydrophobicContact SD-CB 3.84Å; M488-I494 HydrophobicContact CE-CD1 4.37Å; M488-I494 HydrophobicContact CE-CG1 4.47Å; M488-A835 HydrophobicContact CE-CB 3.89Å; M488-A835 HydrophobicContact SD-CB 3.79Å; M488-V852 HydrophobicContact CB-CG2 4.17Å; M488-V852 HydrophobicContact SD-CB 4.27Å; M488-V852 HydrophobicContact SD-CG1 4.27Å; M488-V852 HydrophobicContact SD-CG2 4.32Å; M488-F854 HydrophobicContact CE-CE2 3.55Å; M488-F854 HydrophobicContact CE-CZ 3.67Å; M488-F854 HydrophobicContact CG-CE2 4.49Å; M488-F854 HydrophobicContact CG-CZ 4.07Å; M488-F854 HydrophobicContact SD-CE2 3.56Å; M488-F854 VanDerWaalsContact SD-CE2 3.56Å; M488-F854 HydrophobicContact SD-CZ 3.74Å; M488-I880 HydrophobicContact CE-CG2 3.53Å; M488-A883 HydrophobicContact CG-CB 4.12Å; M488-V884 HydrophobicContact CE-CG2 3.49Å; M488-V884 VanDerWaalsContact CE-CG2 3.49Å; M488-V884 HydrophobicContact CG-CG2 4.04Å; M488-V884 HydrophobicContact SD-CG2 4.43Å
489	G	89	Confident	86.4	Confident	1 Å²	1	15 Å²	15	1%	0.01	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-24.7	173.7	0	0	0	0	0	113.6	E486 T487 R888	E486-G489 PolarHBondContact O-N 3.45Å; T487-G489 PolarHBondContact O-N 2.64Å; G489-R888 WeakPolarHBondContact O-CG 3.31Å; G489-R888 PolarHBondContact O-NE 3.16Å
490	N	89	Confident	85.7	Confident	8 Å²	8	14.6 Å²	14.6	4%	0.043	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	2	-179.2	-61.9	-59.6	0	0	0	113.8	T487 M488 T492 V833	T487-N490 PolarHBondContact O-N 3.18Å; M488-N490 PolarHBondContact O-N 2.96Å; N490-T492 PolarHBondContact O-N 3.16Å; N490-V833 HydrophobicContact CB-CG2 4.24Å; N490-V833 WeakPolarHBondContact O-CB 3.34Å
491	A	90.3	Very high	85.6	Confident	1 Å²	1	12.1 Å²	12.1	1%	0.008	7%	0.066	C	C	.	.			trans	-54.3	132.4	-178	0	0	0	0	0	112.5	M488 I743	M488-A491 HydrophobicContact CE-CB 4.22Å; M488-A491 WeakPolarHBondContact O-CB 3.28Å; M488-A491 PolarHBondContact O-N 3.48Å; M488-A491 HydrophobicContact SD-CB 3.84Å; A491-I743 WeakPolarHBondContact O-CG1 3.34Å
492	T	91.9	Very high	86.2	Confident	14 Å²	14	9.7 Å²	9.7	9%	0.086	6%	0.055	C	C	.	.			trans	-114	-27.5	179.9	63.3	0	0	0	0	112	N490 T744 E832 V833 P958	N490-T492 PolarHBondContact O-N 3.16Å; T492-T744 PolarHBondContact O-N 3.49Å; T492-T744 PolarHBondContact O-OG1 2.89Å; T492-E832 WeakPolarHBondContact CB-OE2 3.24Å; T492-E832 WeakPolarHBondContact OG1-CA 3.04Å; T492-E832 PolarHBondContact OG1-OE2 3.11Å; T492-V833 PolarHBondContact N-O 2.73Å; T492-V833 PolarHBondContact OG1-N 2.61Å; T492-V833 PolarHBondContact OG1-O 3.15Å; T492-P958 HydrophobicContact CG2-CB 4.37Å; T492-P958 HydrophobicContact CG2-CG 3.81Å
493	A	92.8	Very high	86.7	Confident	0 Å²	0	8 Å²	8	0%	0	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	141.1	177.4	0	0	0	0	0	111.2	T744 V833 V834 A835	A493-T744 WeakPolarHBondContact CA-O 3.35Å; A493-V833 PolarHBondContact N-O 2.96Å; A493-V834 HydrophobicContact CB-CG2 4.48Å; A493-A835 PolarHBondContact O-N 2.68Å
494	I	95.3	Very high	86.7	Confident	0 Å²	0	6.3 Å²	6.3	0%	0	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	111.2	169.3	-64.1	167.2	0	0	0	107.6	M488 S496 I743 T744 V745 R746 A835 T837 F877 I880	M488-I494 HydrophobicContact CE-CD1 4.37Å; M488-I494 HydrophobicContact CE-CG1 4.47Å; I494-S496 PolarHBondContact O-N 3.42Å; I494-I743 HydrophobicContact CD1-CG2 3.73Å; I494-I743 HydrophobicContact CG1-CG2 3.76Å; I494-T744 PolarHBondContact N-O 3.21Å; I494-V745 HydrophobicContact CB-CG2 4.49Å; I494-V745 CarbonylContact O-C 3.51Å; I494-V745 WeakPolarHBondContact O-CA 3.44Å; I494-R746 PolarHBondContact O-N 3.29Å; I494-A835 CarbonylContact C-O 3.49Å; I494-A835 WeakPolarHBondContact CA-O 3.36Å; I494-A835 HydrophobicContact CG1-CB 4.19Å; I494-T837 HydrophobicContact CG2-CG2 4.49Å; I494-F877 HydrophobicContact CG2-CE2 4.45Å; I494-F877 HydrophobicContact CG2-CZ 4.38Å; I494-I880 HydrophobicContact CD1-CG2 4.15Å
495	C	94.6	Very high	86.2	Confident	2 Å²	2	8.1 Å²	8.1	1%	0.014	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	92.8	170.6	-72.7	0	0	0	0	108.9	V748 V819 A835 V836 T837	C495-V748 HydrophobicContact CB-CG2 4.41Å; C495-V819 HydrophobicContact CB-CG2 4.37Å; C495-A835 PolarHBondContact N-O 2.99Å; C495-V836 HydrophobicContact CB-CG2 4.28Å; C495-V836 WeakPolarHBondContact O-CA 3.34Å; C495-T837 PolarHBondContact O-N 3.3Å
496	S	92.2	Very high	85.9	Confident	1 Å²	1	11.1 Å²	11.1	1%	0.007	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	138	-178.9	-170.2	0	0	0	0	110.8	I494 T501 L502 R746 V748 T837	I494-S496 PolarHBondContact O-N 3.42Å; S496-T501 WeakPolarHBondContact OG-CG2 3.28Å; S496-L502 WeakPolarHBondContact OG-CG 3.43Å; S496-R746 PolarHBondContact N-O 3.34Å; S496-V748 PolarHBondContact O-N 3.38Å; S496-T837 WeakPolarHBondContact CA-OG1 3.47Å; S496-T837 PolarHBondContact OG-OG1 2.93Å
497	D	87.4	Confident	85.9	Confident	16 Å²	16	12.1 Å²	12.1	9%	0.086	6%	0.063	C	C	.	.			trans	-66.5	162.2	154.1	-153.8	87.6	0	0	0	110.1	T499 L502 V748 K815 T837	D497-T499 PolarHBondContact OD2-N 2.98Å; D497-L502 WeakPolarHBondContact O-CG 3.24Å; D497-V748 WeakPolarHBondContact CA-O 2.99Å; D497-K815 IonicContact OD1-NZ 3.71Å; D497-K815 PolarHBondContact OD1-NZ 2.72Å; D497-T837 PolarHBondContact N-OG1 3.3Å
498	K	84.9	Confident	85.9	Confident	8 Å²	8	12.9 Å²	12.9	4%	0.035	7%	0.068	C	C	.	.	S	Bend	trans	-88.7	-49.7	175.7	-173.2	-122.3	70.7	179.2	0	111.2	L502 T503 D725 M747 T749 D751 I759	K498-L502 PolarHBondContact O-N 2.92Å; K498-T503 HydrophobicContact CD-CG2 4.23Å; K498-T503 HydrophobicContact CG-CG2 4.27Å; K498-T503 PolarHBondContact O-N 2.93Å; K498-T503 VanDerWaalsContact O-N 3.08Å; K498-T503 PolarHBondContact O-OG1 2.57Å; K498-D725 IonicContact NZ-OD2 3.75Å; K498-M747 HydrophobicContact CB-CE 4.39Å; K498-M747 HydrophobicContact CB-CG 4.03Å; K498-M747 HydrophobicContact CB-SD 3.98Å; K498-M747 HydrophobicContact CG-CE 3.92Å; K498-M747 HydrophobicContact CG-SD 3.86Å; K498-T749 HydrophobicContact CB-CG2 4.27Å; K498-D751 IonicContact NZ-OD2 2.98Å; K498-D751 PolarHBondContact NZ-OD2 3.07Å; K498-I759 HydrophobicContact CD-CD1 3.83Å; K498-I759 HydrophobicContact CD-CG2 4.39Å; K498-I759 HydrophobicContact CG-CG2 3.96Å
499	T	75.7	Confident	86	Confident	35 Å²	35	13.2 Å²	13.2	22%	0.215	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	140.7	-173	-56.7	0	0	0	0	109.5	D497 T501 N505	D497-T499 PolarHBondContact OD2-N 2.98Å; T499-T501 PolarHBondContact O-N 2.84Å; T499-N505 HydrophobicContact CG2-CB 4.38Å; T499-N505 WeakPolarHBondContact CG2-OD1 3.39Å
500	G	71.3	Confident	86	Confident	0 Å²	0	14 Å²	14	0%	0	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.9	-49.9	-174.7	0	0	0	0	0	113.2	T503 R728 M856	G500-T503 CarbonylContact C-O 3.56Å; G500-T503 VanDerWaalsContact O-O 3.09Å; G500-R728 PolarHBondContact O-NE 3.18Å; G500-R728 PolarHBondContact O-NH2 3.28Å; G500-M856 WeakPolarHBondContact O-CE 3.3Å
501	T	78.3	Confident	86.1	Confident	1 Å²	1	14.3 Å²	14.3	1%	0.006	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-62	-172.5	-51.1	0	0	0	0	113	S496 T499 R728 T837 M856 F877	S496-T501 WeakPolarHBondContact OG-CG2 3.28Å; T499-T501 PolarHBondContact O-N 2.84Å; T501-R728 WeakPolarHBondContact O-CD 3.38Å; T501-T837 HydrophobicContact CG2-CG2 4.16Å; T501-T837 WeakPolarHBondContact CG2-OG1 3.3Å; T501-T837 PolarHBondContact OG1-OG1 3.06Å; T501-M856 HydrophobicContact CG2-SD 4.42Å; T501-F877 HydrophobicContact CG2-CD2 3.92Å
502	L	86.8	Confident	86.3	Confident	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-32.4	-175.2	-61.7	176.5	0	0	0	111.8	S496 D497 K498 R728 V731 I735 M747 I765 F877	S496-L502 WeakPolarHBondContact OG-CG 3.43Å; D497-L502 WeakPolarHBondContact O-CG 3.24Å; K498-L502 PolarHBondContact O-N 2.92Å; L502-R728 PolarHBondContact O-N 3.35Å; L502-V731 HydrophobicContact CB-CG1 4.48Å; L502-V731 HydrophobicContact CD2-CG1 3.74Å; L502-V731 HydrophobicContact CD2-CG2 4.45Å; L502-I735 HydrophobicContact CD2-CD1 4.09Å; L502-M747 HydrophobicContact CD1-CE 3.9Å; L502-M747 HydrophobicContact CD1-CG 4.46Å; L502-I765 HydrophobicContact CD1-CD1 4.03Å; L502-F877 HydrophobicContact CD2-CD2 3.69Å; L502-F877 HydrophobicContact CD2-CE2 3.77Å; L502-F877 HydrophobicContact CD2-CG 4.36Å
503	T	85.9	Confident	86.3	Confident	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.078	C	C	.	.	B	Isolated β-bridge	trans	-100.6	166.7	174.9	62.4	0	0	0	0	111.8	K498 G500 N505 D725 P726 R728 I759	K498-T503 HydrophobicContact CD-CG2 4.23Å; K498-T503 HydrophobicContact CG-CG2 4.27Å; K498-T503 PolarHBondContact O-N 2.93Å; K498-T503 VanDerWaalsContact O-N 3.08Å; K498-T503 PolarHBondContact O-OG1 2.57Å; G500-T503 CarbonylContact C-O 3.56Å; G500-T503 VanDerWaalsContact O-O 3.09Å; T503-N505 PolarHBondContact O-N 3.11Å; T503-D725 VanDerWaalsContact CB-CG 3.42Å; T503-D725 WeakPolarHBondContact CB-OD1 3.01Å; T503-D725 WeakPolarHBondContact CB-OD2 3.34Å; T503-D725 VanDerWaalsContact CG2-O 3.28Å; T503-D725 WeakPolarHBondContact CG2-O 3.31Å; T503-D725 VanDerWaalsContact OG1-CG 3.26Å; T503-D725 PolarHBondContact OG1-OD2 2.81Å; T503-P726 CarbonylContact C-O 3.5Å; T503-P726 VanDerWaalsContact CA-O 3.25Å; T503-P726 WeakPolarHBondContact CA-O 3.46Å; T503-P726 WeakPolarHBondContact CB-O 3.36Å; T503-R728 PolarHBondContact O-NE 2.85Å; T503-R728 VanDerWaalsContact O-NE 3.09Å; T503-I759 HydrophobicContact CG2-CD1 4.2Å; T503-I759 HydrophobicContact CG2-CG2 4.01Å
504	T	78.3	Confident	86.2	Confident	28 Å²	28	15.9 Å²	15.9	17%	0.172	8%	0.081	C	C	.	.			trans	-75.1	-6.1	178.6	60	0	0	0	0	114.2	R506 L562 P726 R728	T504-R506 PolarHBondContact O-N 2.95Å; T504-L562 HydrophobicContact CG2-CD1 4.02Å; T504-P726 HydrophobicContact CG2-CG 4.46Å; T504-P726 PolarHBondContact N-O 3.01Å; T504-P726 WeakPolarHBondContact OG1-CD 3.36Å; T504-P726 WeakPolarHBondContact OG1-CG 3.37Å; T504-R728 HydrophobicContact CG2-CG 3.98Å
505	N	75.9	Confident	85.6	Confident	40 Å²	40	16.3 Å²	16.3	21%	0.214	9%	0.085	C	C	.	.	S	Bend	trans	55.7	31.1	-172.9	-155.1	-8.8	0	0	0	112.6	T499 T503 K569 D725	T499-N505 HydrophobicContact CG2-CB 4.38Å; T499-N505 WeakPolarHBondContact CG2-OD1 3.39Å; T503-N505 PolarHBondContact O-N 3.11Å; N505-K569 WeakPolarHBondContact O-CD 3.19Å; N505-K569 PolarHBondContact O-NZ 2.99Å; N505-K569 PolarHBondContact OD1-NZ 3.28Å; N505-D725 VanDerWaalsContact CA-OD1 3.25Å; N505-D725 WeakPolarHBondContact CA-OD1 3.46Å; N505-D725 PolarHBondContact N-OD1 3.13Å
506	R	79.1	Confident	85.1	Confident	64 Å²	64	21.1 Å²	21.1	24%	0.242	11%	0.107	C	C	.	.			trans	-135.2	108.8	-173.5	178.6	-167.8	157.3	-174.9	-7.2	108.3	T504 T508 Q565 D725 P726	T504-R506 PolarHBondContact O-N 2.95Å; R506-T508 PolarHBondContact O-N 3.03Å; R506-Q565 VanDerWaalsContact CG-CD 3.47Å; R506-Q565 HydrophobicContact CG-CG 3.98Å; R506-D725 PolarHBondContact N-OD1 3.37Å; R506-P726 WeakPolarHBondContact O-CD 3.24Å
507	M	86.4	Confident	84.8	Confident	22 Å²	22	28.6 Å²	28.6	11%	0.108	14%	0.139	C	C	.	.			trans	-70	134.3	-179.2	-62.6	-68.7	-73.5	0	0	110.2	Q565 K569 A573 R674 I723 E724 D725	M507-Q565 PolarHBondContact O-NE2 3.09Å; M507-K569 HydrophobicContact CB-CB 4.19Å; M507-K569 WeakPolarHBondContact CB-O 3.48Å; M507-K569 HydrophobicContact CG-CB 3.72Å; M507-A573 HydrophobicContact CB-CB 3.85Å; M507-A573 WeakPolarHBondContact O-CA 3.34Å; M507-A573 WeakPolarHBondContact O-CB 3.4Å; M507-R674 HydrophobicContact CE-CB 4.35Å; M507-I723 HydrophobicContact CB-CG2 3.88Å; M507-I723 HydrophobicContact CE-CB 4.29Å; M507-I723 HydrophobicContact CE-CG2 3.77Å; M507-E724 CarbonylContact C-O 3.49Å; M507-E724 WeakPolarHBondContact CA-O 3.32Å; M507-D725 HydrophobicContact SD-CB 3.84Å
508	T	88.8	Confident	84.7	Confident	30 Å²	30	30.5 Å²	30.5	18%	0.184	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	141	179.7	52.2	0	0	0	0	111	R506 V510 I723 E724	R506-T508 PolarHBondContact O-N 3.03Å; T508-V510 PolarHBondContact O-N 3.38Å; T508-I723 CarbonylContact O-C 3.59Å; T508-I723 WeakPolarHBondContact O-CA 3.37Å; T508-I723 WeakPolarHBondContact O-CG2 3.49Å; T508-E724 PolarHBondContact N-O 2.86Å; T508-E724 PolarHBondContact O-N 2.96Å
509	V	91.7	Very high	84.7	Confident	7 Å²	7	31.2 Å²	31.2	4%	0.042	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	128.2	166.8	178.5	0	0	0	0	108.3	L525 L574 F577 V721 I723	V509-L525 HydrophobicContact CG1-CD2 4.13Å; V509-L574 HydrophobicContact CG2-CD2 4.39Å; V509-F577 HydrophobicContact CB-CB 4.06Å; V509-F577 HydrophobicContact CB-CD1 4.45Å; V509-F577 HydrophobicContact CB-CD2 4.33Å; V509-F577 HydrophobicContact CB-CG 4.04Å; V509-F577 HydrophobicContact CG1-CD1 4.3Å; V509-F577 HydrophobicContact CG1-CD2 4.35Å; V509-F577 HydrophobicContact CG1-CG 4.22Å; V509-F577 HydrophobicContact CG2-CB 3.71Å; V509-F577 HydrophobicContact CG2-CD1 4.12Å; V509-F577 HydrophobicContact CG2-CG 3.96Å; V509-V721 HydrophobicContact CG1-CB 4.12Å; V509-V721 HydrophobicContact CG1-CG1 4.32Å; V509-V721 HydrophobicContact CG2-CB 4.36Å; V509-I723 HydrophobicContact CG2-CG1 4.27Å
510	V	89.4	Confident	84.7	Confident	16 Å²	16	34.7 Å²	34.7	10%	0.097	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	-35.3	179.1	177.1	0	0	0	0	111	T508 N521 T522 L673 G722 E724	T508-V510 PolarHBondContact O-N 3.38Å; V510-N521 CarbonylContact O-C 3.59Å; V510-N521 VanDerWaalsContact O-C 3.28Å; V510-T522 PolarHBondContact O-N 2.74Å; V510-L673 HydrophobicContact CB-CD2 4.41Å; V510-G722 PolarHBondContact N-O 3.05Å; V510-E724 HydrophobicContact CG2-CB 3.66Å
511	Q	92	Very high	85	Confident	15 Å²	15	38.6 Å²	38.6	7%	0.07	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	150.4	178.5	-65.3	-174.5	-4.9	0	0	110.4	T519 Q520 M668 L673 G722	Q511-T519 VanDerWaalsContact CB-O 3.28Å; Q511-T519 WeakPolarHBondContact CB-O 3.24Å; Q511-T519 VanDerWaalsContact CG-O 3.3Å; Q511-T519 WeakPolarHBondContact CG-O 3.17Å; Q511-Q520 WeakPolarHBondContact CG-O 3.11Å; Q511-Q520 PolarHBondContact NE2-O 3.29Å; Q511-M668 HydrophobicContact CB-CE 3.98Å; Q511-L673 HydrophobicContact CB-CD1 4.01Å; Q511-L673 VanDerWaalsContact CD-CD1 3.48Å; Q511-L673 HydrophobicContact CG-CD1 3.77Å; Q511-G722 PolarHBondContact N-O 3.32Å; Q511-G722 PolarHBondContact O-N 3.14Å
512	C	92.7	Very high	84.8	Confident	2 Å²	2	41.5 Å²	41.5	1%	0.014	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	150.1	172.4	63.6	0	0	0	0	112.5	F514 T519 I720 V721	C512-F514 HydrophobicContact CB-CD2 3.88Å; C512-F514 HydrophobicContact CB-CE2 3.5Å; C512-F514 VanDerWaalsContact CB-CE2 3.5Å; C512-F514 HydrophobicContact CB-CZ 4.34Å; C512-T519 PolarHBondContact N-OG1 2.9Å; C512-T519 PolarHBondContact O-N 3.43Å; C512-T519 PolarHBondContact O-OG1 3.26Å; C512-T519 PolarHBondContact SG-OG1 3.38Å; C512-I720 CarbonylContact C-O 3.4Å; C512-I720 WeakPolarHBondContact CA-O 3.42Å; C512-V721 HydrophobicContact CB-CG1 3.94Å
513	Y	92.6	Very high	84.2	Confident	36 Å²	36	49.3 Å²	49.3	14%	0.141	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	113.9	173.6	-177.1	-94.2	0	0	0	109.8	K517 L518 I642 L660 V664 G719 I720	Y513-K517 VanDerWaalsContact CA-O 3.3Å; Y513-K517 WeakPolarHBondContact CA-O 3.43Å; Y513-L518 HydrophobicContact CD2-CB 4.11Å; Y513-I642 HydrophobicContact CE1-CD1 4.44Å; Y513-L660 HydrophobicContact CD1-CD1 4.01Å; Y513-L660 HydrophobicContact CD2-CD1 4.45Å; Y513-L660 HydrophobicContact CE1-CD1 3.57Å; Y513-L660 HydrophobicContact CE1-CD2 4.2Å; Y513-L660 HydrophobicContact CE2-CD1 4.05Å; Y513-L660 HydrophobicContact CG-CD1 4.42Å; Y513-V664 HydrophobicContact CD2-CG1 4.3Å; Y513-V664 HydrophobicContact CD2-CG2 4.12Å; Y513-V664 HydrophobicContact CE2-CG2 4.19Å; Y513-V664 HydrophobicContact CG-CG1 4.39Å; Y513-G719 WeakPolarHBondContact O-CA 3.36Å; Y513-I720 PolarHBondContact N-O 3.16Å; Y513-I720 PolarHBondContact O-N 2.85Å; Y513-I720 VanDerWaalsContact O-N 3.08Å
514	F	90.5	Very high	83.8	Confident	11 Å²	11	54.2 Å²	54.2	5%	0.048	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	138.2	178.3	-64.8	-65.2	0	0	0	110.1	C512 E516 K517 L531 I535 F539 F577 V721	C512-F514 HydrophobicContact CB-CD2 3.88Å; C512-F514 HydrophobicContact CB-CE2 3.5Å; C512-F514 VanDerWaalsContact CB-CE2 3.5Å; C512-F514 HydrophobicContact CB-CZ 4.34Å; F514-E516 VanDerWaalsContact C-N 3.34Å; F514-E516 PolarHBondContact O-N 3.02Å; F514-K517 PolarHBondContact N-O 3.41Å; F514-K517 PolarHBondContact O-N 3.19Å; F514-L531 HydrophobicContact CB-CD2 3.98Å; F514-L531 HydrophobicContact CD2-CD2 4.21Å; F514-L531 HydrophobicContact CG-CD2 4.26Å; F514-I535 HydrophobicContact CB-CG2 4.43Å; F514-I535 HydrophobicContact CD1-CG2 4.07Å; F514-F539 AromaticContact CE1-CD2 3.55Å; F514-F539 HydrophobicContact CE1-CD2 3.55Å; F514-F539 AromaticContact CE1-CE2 3.76Å; F514-F539 HydrophobicContact CE1-CE2 3.76Å; F514-F539 HydrophobicContact CE1-CG 4.17Å; F514-F539 HydrophobicContact CZ-CD1 4.48Å; F514-F539 AromaticContact CZ-CD2 3.65Å; F514-F539 HydrophobicContact CZ-CD2 3.65Å; F514-F539 HydrophobicContact CZ-CE1 4.32Å; F514-F539 AromaticContact CZ-CE2 3.45Å; F514-F539 HydrophobicContact CZ-CE2 3.45Å; F514-F539 VanDerWaalsContact CZ-CE2 3.45Å; F514-F539 HydrophobicContact CZ-CG 4.17Å; F514-F539 AromaticContact CZ-CZ 3.83Å; F514-F539 HydrophobicContact CZ-CZ 3.83Å; F514-F577 AromaticContact CE2-CE1 3.94Å; F514-F577 HydrophobicContact CE2-CE1 3.94Å; F514-F577 HydrophobicContact CE2-CZ 4.1Å; F514-F577 HydrophobicContact CZ-CE1 4.16Å; F514-V721 HydrophobicContact CE2-CG1 4.46Å; F514-V721 HydrophobicContact CZ-CG1 4.02Å
515	G	83.9	Confident	84	Confident	8 Å²	8	53.6 Å²	53.6	8%	0.082	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	53	49	172.6	0	0	0	0	0	113.6	K517	G515-K517 PolarHBondContact O-N 2.99Å; G515-K517 VanDerWaalsContact O-N 3.16Å
516	E	83.3	Confident	84.3	Confident	103 Å²	103	52.5 Å²	52.5	48%	0.481	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.1	9.8	-176.5	-55.9	-174.6	155.9	0	0	116.1	F514 K650	F514-E516 VanDerWaalsContact C-N 3.34Å; F514-E516 PolarHBondContact O-N 3.02Å; E516-K650 IonicContact OE1-NZ 2.63Å; E516-K650 PolarHBondContact OE1-NZ 3.24Å
517	K	85.8	Confident	84.5	Confident	158 Å²	158	55.6 Å²	55.6	69%	0.687	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.9	131.5	178.2	-64.7	176.7	-176.2	173.6	0	112.9	Y513 F514 G515	Y513-K517 VanDerWaalsContact CA-O 3.3Å; Y513-K517 WeakPolarHBondContact CA-O 3.43Å; F514-K517 PolarHBondContact N-O 3.41Å; F514-K517 PolarHBondContact O-N 3.19Å; G515-K517 PolarHBondContact O-N 2.99Å; G515-K517 VanDerWaalsContact O-N 3.16Å
518	L	85.8	Confident	84.3	Confident	57 Å²	57	57.8 Å²	57.8	30%	0.298	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	132.5	170.1	178.4	58.3	0	0	0	110.9	Y513 V664 M668	Y513-L518 HydrophobicContact CD2-CB 4.11Å; L518-V664 HydrophobicContact CD1-CG1 4.1Å; L518-V664 HydrophobicContact CD2-CG1 4.45Å; L518-M668 HydrophobicContact CD1-CE 3.4Å
519	T	85	Confident	83.9	Confident	22 Å²	22	65.9 Å²	65.9	14%	0.135	32%	0.322	C	S	.	.			trans	-98.9	140.6	167.5	61.1	0	0	0	0	110.7	Q511 C512 Q524	Q511-T519 VanDerWaalsContact CB-O 3.28Å; Q511-T519 WeakPolarHBondContact CB-O 3.24Å; Q511-T519 VanDerWaalsContact CG-O 3.3Å; Q511-T519 WeakPolarHBondContact CG-O 3.17Å; C512-T519 PolarHBondContact N-OG1 2.9Å; C512-T519 PolarHBondContact O-N 3.43Å; C512-T519 PolarHBondContact O-OG1 3.26Å; C512-T519 PolarHBondContact SG-OG1 3.38Å; T519-Q524 VanDerWaalsContact CG2-O 3.27Å; T519-Q524 WeakPolarHBondContact CG2-O 3.24Å
520	Q	75.4	Confident	83.4	Confident	108 Å²	108	71 Å²	71	51%	0.505	35%	0.349	S	S	.	.			trans	-100.2	-25.3	-173.2	-69.6	-177.3	-17.1	0	0	114.3	Q511	Q511-Q520 WeakPolarHBondContact CG-O 3.11Å; Q511-Q520 PolarHBondContact NE2-O 3.29Å
521	N	76.6	Confident	83.1	Confident	83 Å²	83	71.4 Å²	71.4	44%	0.444	35%	0.35	S	S	.	.	S	Bend	trans	-137.8	155.3	-174.4	-65.9	-74.9	0	0	0	111.7	V510 D523 Q524	V510-N521 CarbonylContact O-C 3.59Å; V510-N521 VanDerWaalsContact O-C 3.28Å; N521-D523 PolarHBondContact O-N 2.69Å; N521-Q524 HydrophobicContact CB-CG 4.46Å; N521-Q524 WeakPolarHBondContact O-CA 3.39Å; N521-Q524 WeakPolarHBondContact O-CB 3.32Å; N521-Q524 PolarHBondContact O-N 2.88Å
522	T	75	Confident	82.8	Confident	62 Å²	62	73.3 Å²	73.3	38%	0.38	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-54.3	-36.9	178.4	-43.2	0	0	0	0	113.1	V510 Q524 L525	V510-T522 PolarHBondContact O-N 2.74Å; T522-Q524 PolarHBondContact O-N 2.8Å; T522-L525 HydrophobicContact CG2-CD1 3.86Å; T522-L525 WeakPolarHBondContact O-CB 3.19Å; T522-L525 VanDerWaalsContact O-CG 3.29Å; T522-L525 WeakPolarHBondContact O-CG 3.47Å; T522-L525 PolarHBondContact O-N 3.4Å
523	D	74.7	Confident	82.4	Confident	163 Å²	163	80.3 Å²	80.3	87%	0.872	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-70	-12.3	179.1	-55.3	-46.3	0	0	0	113.7	N521	N521-D523 PolarHBondContact O-N 2.69Å
524	Q	76.7	Confident	82.1	Confident	104 Å²	104	83 Å²	83	49%	0.486	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-103.6	5.2	178.4	-59.2	174.7	-12.2	0	0	112.5	T519 N521 T522	T519-Q524 VanDerWaalsContact CG2-O 3.27Å; T519-Q524 WeakPolarHBondContact CG2-O 3.24Å; N521-Q524 HydrophobicContact CB-CG 4.46Å; N521-Q524 WeakPolarHBondContact O-CA 3.39Å; N521-Q524 WeakPolarHBondContact O-CB 3.32Å; N521-Q524 PolarHBondContact O-N 2.88Å; T522-Q524 PolarHBondContact O-N 2.8Å
525	L	82.3	Confident	82	Confident	14 Å²	14	82.7 Å²	82.7	7%	0.073	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-62.5	134.1	176.1	-70.4	172.9	0	0	0	110.3	V509 T522 F577	V509-L525 HydrophobicContact CG1-CD2 4.13Å; T522-L525 HydrophobicContact CG2-CD1 3.86Å; T522-L525 WeakPolarHBondContact O-CB 3.19Å; T522-L525 VanDerWaalsContact O-CG 3.29Å; T522-L525 WeakPolarHBondContact O-CG 3.47Å; T522-L525 PolarHBondContact O-N 3.4Å; L525-F577 HydrophobicContact CB-CE2 4.2Å; L525-F577 HydrophobicContact CD1-CD2 4.32Å; L525-F577 HydrophobicContact CD1-CE2 4.24Å; L525-F577 HydrophobicContact CD2-CE2 4Å; L525-F577 HydrophobicContact CD2-CZ 4.45Å; L525-F577 HydrophobicContact CG-CE2 4.38Å
526	P	82.9	Confident	82.3	Confident	18 Å²	18	82.3 Å²	82.3	12%	0.117	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-71.9	152.3	-177.7	31.7	-35.8	0	0	0	110.6	D530 L531 L581	P526-D530 HydrophobicContact CB-CB 4.17Å; P526-L531 HydrophobicContact CB-CD2 4.3Å; P526-L531 HydrophobicContact CB-CG 4.06Å; P526-L531 HydrophobicContact CG-CD1 4.24Å; P526-L531 HydrophobicContact CG-CD2 4.1Å; P526-L531 HydrophobicContact CG-CG 4.11Å; P526-L581 VanDerWaalsContact O-CD2 3.28Å; P526-L581 WeakPolarHBondContact O-CD2 3.49Å
527	K	83.8	Confident	82.7	Confident	128 Å²	128	79.6 Å²	79.6	56%	0.557	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-92.5	166.2	164.4	-61.2	172.8	-175.3	172.2	0	108.8	K529 D530 L531	K527-K529 PolarHBondContact O-N 3.17Å; K527-D530 WeakPolarHBondContact CA-OD2 3.46Å; K527-D530 WeakPolarHBondContact CB-OD2 3.47Å; K527-D530 PolarHBondContact N-OD2 2.9Å; K527-D530 PolarHBondContact O-N 2.97Å; K527-L531 PolarHBondContact O-N 2.84Å
528	L	82.4	Confident	82.9	Confident	68 Å²	68	72.6 Å²	72.6	36%	0.356	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-24.5	179.3	-172.3	68.1	0	0	0	113.4	D530 L581 V583	L528-D530 VanDerWaalsContact C-N 3.34Å; L528-L581 VanDerWaalsContact CB-O 3.3Å; L528-L581 WeakPolarHBondContact CB-O 3.29Å; L528-L581 PolarHBondContact N-O 3.47Å; L528-V583 HydrophobicContact CD2-CG2 3.66Å
529	K	80.3	Confident	83.3	Confident	201 Å²	201	69.9 Å²	69.9	87%	0.874	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-22.9	176.2	-63.7	-175.8	178.4	-176.3	0	114.2	K527	K527-K529 PolarHBondContact O-N 3.17Å
530	D	81.2	Confident	83.7	Confident	113 Å²	113	69.1 Å²	69.1	60%	0.604	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-13.7	-175	-44.1	-49.9	0	0	0	111.6	P526 K527 L528	P526-D530 HydrophobicContact CB-CB 4.17Å; K527-D530 WeakPolarHBondContact CA-OD2 3.46Å; K527-D530 WeakPolarHBondContact CB-OD2 3.47Å; K527-D530 PolarHBondContact N-OD2 2.9Å; K527-D530 PolarHBondContact O-N 2.97Å; L528-D530 VanDerWaalsContact C-N 3.34Å
531	L	81.5	Confident	84.5	Confident	25 Å²	25	64.5 Å²	64.5	13%	0.131	31%	0.314	C	S	.	.	S	Bend	trans	-92.4	149.9	172.9	-70.3	172.2	0	0	0	111	F514 P526 K527 L581	F514-L531 HydrophobicContact CB-CD2 3.98Å; F514-L531 HydrophobicContact CD2-CD2 4.21Å; F514-L531 HydrophobicContact CG-CD2 4.26Å; P526-L531 HydrophobicContact CB-CD2 4.3Å; P526-L531 HydrophobicContact CB-CG 4.06Å; P526-L531 HydrophobicContact CG-CD1 4.24Å; P526-L531 HydrophobicContact CG-CD2 4.1Å; P526-L531 HydrophobicContact CG-CG 4.11Å; K527-L531 PolarHBondContact O-N 2.84Å; L531-L581 HydrophobicContact CD1-CD2 3.64Å
532	N	85.7	Confident	85.3	Confident	55 Å²	55	60.7 Å²	60.7	29%	0.294	30%	0.295	S	S	.	.			trans	-61.1	137.5	167.5	-175.7	-66.3	0	0	0	110.5	R534 I535 G536 N646	N532-R534 VanDerWaalsContact C-N 3.26Å; N532-R534 PolarHBondContact O-N 3.32Å; N532-R534 VanDerWaalsContact O-N 3.15Å; N532-R534 PolarHBondContact OD1-N 3.22Å; N532-I535 HydrophobicContact CB-CD1 3.9Å; N532-I535 HydrophobicContact CB-CG1 4.07Å; N532-I535 PolarHBondContact O-N 3Å; N532-I535 VanDerWaalsContact O-N 3.07Å; N532-G536 PolarHBondContact O-N 3.44Å; N532-N646 VanDerWaalsContact CG-O 3.29Å; N532-N646 PolarHBondContact ND2-O 2.91Å; N532-N646 PolarHBondContact OD1-O 3.09Å
533	H	85.7	Confident	86.2	Confident	149 Å²	149	57.9 Å²	57.9	69%	0.69	28%	0.277	S	S	*	.	H	α-helix	trans	-49.6	-42.4	-178.3	-178.8	-94.1	0	0	0	113.3	H537	H533-H537 WeakPolarHBondContact O-CB 3.2Å; H533-H537 PolarHBondContact O-N 2.77Å
534	R	85.6	Confident	87.1	Confident	93 Å²	93	50.1 Å²	50.1	35%	0.351	24%	0.236	S	C	.	.	H	α-helix	trans	-65.9	-45.5	179.9	-67.8	-177.5	-178.1	171.9	7.6	112.4	N532 H537 R538 G647 D648	N532-R534 VanDerWaalsContact C-N 3.26Å; N532-R534 PolarHBondContact O-N 3.32Å; N532-R534 VanDerWaalsContact O-N 3.15Å; N532-R534 PolarHBondContact OD1-N 3.22Å; R534-H537 PolarHBondContact O-N 3.11Å; R534-R538 WeakPolarHBondContact O-CB 3.36Å; R534-R538 WeakPolarHBondContact O-CG 3.46Å; R534-R538 PolarHBondContact O-N 3.07Å; R534-G647 WeakPolarHBondContact CD-O 3.41Å; R534-G647 PolarHBondContact NH1-O 3.19Å; R534-D648 IonicContact CZ-OD1 2.72Å; R534-D648 IonicContact NH1-OD1 2.63Å; R534-D648 PolarHBondContact NH1-OD1 3.16Å; R534-D648 IonicContact NH1-OD2 2.65Å; R534-D648 IonicContact NH2-OD1 3.18Å
535	I	89.3	Confident	87.8	Confident	4 Å²	4	45.3 Å²	45.3	2%	0.021	21%	0.213	C	C	.	.	H	α-helix	trans	-63	-50.8	179	-54.6	174.2	0	0	0	109.1	F514 N532 H537 F539 L643 D644 I718	F514-I535 HydrophobicContact CB-CG2 4.43Å; F514-I535 HydrophobicContact CD1-CG2 4.07Å; N532-I535 HydrophobicContact CB-CD1 3.9Å; N532-I535 HydrophobicContact CB-CG1 4.07Å; N532-I535 PolarHBondContact O-N 3Å; N532-I535 VanDerWaalsContact O-N 3.07Å; I535-H537 PolarHBondContact O-N 2.74Å; I535-F539 WeakPolarHBondContact O-CB 3.49Å; I535-F539 PolarHBondContact O-N 3.48Å; I535-L643 HydrophobicContact CG1-CD1 4.21Å; I535-D644 WeakPolarHBondContact CD1-O 3.36Å; I535-I718 HydrophobicContact CG2-CG2 4.18Å
536	G	89.8	Confident	88.3	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-58.4	-48.5	177.5	0	0	0	0	0	112.5	N532 F539 V540	N532-G536 PolarHBondContact O-N 3.44Å; G536-F539 PolarHBondContact O-N 3.38Å; G536-V540 VanDerWaalsContact O-CB 3.25Å; G536-V540 WeakPolarHBondContact O-CB 3.07Å; G536-V540 VanDerWaalsContact O-CG2 3.27Å; G536-V540 WeakPolarHBondContact O-CG2 3.44Å; G536-V540 PolarHBondContact O-N 3Å
537	H	90.3	Very high	88.6	Confident	47 Å²	47	44 Å²	44	22%	0.218	21%	0.206	C	C	.	.	H	α-helix	trans	-60.1	-50.8	179.8	-174.3	-108	0	0	0	112.4	H533 R534 I535 H541 E618	H533-H537 WeakPolarHBondContact O-CB 3.2Å; H533-H537 PolarHBondContact O-N 2.77Å; R534-H537 PolarHBondContact O-N 3.11Å; I535-H537 PolarHBondContact O-N 2.74Å; H537-H541 AromaticContact CD2-CE1 3.41Å; H537-H541 PolarHBondContact CD2-CE1 3.49Å; H537-H541 VanDerWaalsContact CD2-CE1 3.41Å; H537-H541 AromaticContact CD2-ND1 3.6Å; H537-H541 AromaticContact CE1-CE1 3.98Å; H537-H541 AromaticContact CE1-ND1 3.95Å; H537-H541 AromaticContact NE2-CE1 3.19Å; H537-H541 PolarHBondContact NE2-CE1 3.48Å; H537-H541 AromaticContact NE2-ND1 3.55Å; H537-H541 PolarHBondContact O-N 2.74Å; H537-H541 PolarHBondContact O-ND1 3.06Å; H537-E618 IonicContact CE1-OE1 2.77Å; H537-E618 IonicContact ND1-OE1 2.62Å
538	R	91.6	Very high	88.6	Confident	11 Å²	11	40.1 Å²	40.1	4%	0.042	19%	0.194	C	C	.	.	H	α-helix	trans	-70.9	-35.4	-178.8	-66.5	-67.6	-178.9	130.5	-3.5	111.8	R534 G542 E618 F627 Y680 S682 I718	R534-R538 WeakPolarHBondContact O-CB 3.36Å; R534-R538 WeakPolarHBondContact O-CG 3.46Å; R534-R538 PolarHBondContact O-N 3.07Å; R538-G542 PolarHBondContact O-N 3.42Å; R538-E618 IonicContact CZ-OE1 3.28Å; R538-E618 VanDerWaalsContact CZ-OE1 3.22Å; R538-E618 IonicContact CZ-OE2 2.76Å; R538-E618 IonicContact NE-OE1 2.8Å; R538-E618 PolarHBondContact NE-OE1 2.85Å; R538-E618 IonicContact NH2-OE1 2.83Å; R538-E618 PolarHBondContact NH2-OE1 3.4Å; R538-E618 IonicContact NH2-OE2 2.97Å; R538-E618 PolarHBondContact NH2-OE2 2.85Å; R538-F627 WeakPolarHBondContact O-CE1 3.34Å; R538-Y680 VanDerWaalsContact NH1-CE2 3.33Å; R538-S682 PolarHBondContact NH1-OG 2.76Å; R538-S682 VanDerWaalsContact NH1-OG 3.07Å; R538-I718 HydrophobicContact CB-CD1 3.97Å
539	F	93.1	Very high	88.7	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-64.6	-51.8	174.3	-178.7	-99.6	0	0	0	112.4	F514 I535 G536 H541 G542 V543 F577 V578 L581 I678 I718 V721	F514-F539 AromaticContact CE1-CD2 3.55Å; F514-F539 HydrophobicContact CE1-CD2 3.55Å; F514-F539 AromaticContact CE1-CE2 3.76Å; F514-F539 HydrophobicContact CE1-CE2 3.76Å; F514-F539 HydrophobicContact CE1-CG 4.17Å; F514-F539 HydrophobicContact CZ-CD1 4.48Å; F514-F539 AromaticContact CZ-CD2 3.65Å; F514-F539 HydrophobicContact CZ-CD2 3.65Å; F514-F539 HydrophobicContact CZ-CE1 4.32Å; F514-F539 AromaticContact CZ-CE2 3.45Å; F514-F539 HydrophobicContact CZ-CE2 3.45Å; F514-F539 VanDerWaalsContact CZ-CE2 3.45Å; F514-F539 HydrophobicContact CZ-CG 4.17Å; F514-F539 AromaticContact CZ-CZ 3.83Å; F514-F539 HydrophobicContact CZ-CZ 3.83Å; I535-F539 WeakPolarHBondContact O-CB 3.49Å; I535-F539 PolarHBondContact O-N 3.48Å; G536-F539 PolarHBondContact O-N 3.38Å; F539-H541 PolarHBondContact O-N 3.08Å; F539-G542 PolarHBondContact O-N 3.27Å; F539-V543 HydrophobicContact CD1-CG2 4.41Å; F539-V543 HydrophobicContact CD2-CG2 4.31Å; F539-V543 HydrophobicContact CE1-CG2 3.93Å; F539-V543 HydrophobicContact CE2-CG2 3.82Å; F539-V543 HydrophobicContact CZ-CG2 3.61Å; F539-V543 PolarHBondContact O-N 3.48Å; F539-F577 AromaticContact CE1-CD1 3.63Å; F539-F577 HydrophobicContact CE1-CD1 3.63Å; F539-F577 AromaticContact CE1-CE1 3.59Å; F539-F577 HydrophobicContact CE1-CE1 3.59Å; F539-F577 AromaticContact CZ-CD1 3.64Å; F539-F577 HydrophobicContact CZ-CD1 3.64Å; F539-F577 AromaticContact CZ-CE1 3.63Å; F539-F577 HydrophobicContact CZ-CE1 3.63Å; F539-V578 HydrophobicContact CE1-CG2 4.5Å; F539-L581 HydrophobicContact CD1-CD1 3.78Å; F539-L581 HydrophobicContact CE1-CD1 3.79Å; F539-I678 HydrophobicContact CD2-CD1 4.4Å; F539-I678 HydrophobicContact CD2-CG2 4.34Å; F539-I678 HydrophobicContact CE2-CD1 3.57Å; F539-I678 HydrophobicContact CZ-CD1 4.26Å; F539-I718 HydrophobicContact CB-CG2 3.96Å; F539-I718 HydrophobicContact CD2-CG2 4.29Å; F539-V721 HydrophobicContact CE2-CG1 4.4Å; F539-V721 HydrophobicContact CZ-CG1 4.38Å
540	V	93.4	Very high	88.7	Confident	5 Å²	5	33.5 Å²	33.5	3%	0.03	17%	0.171	C	C	.	.	H	α-helix	trans	-64	-44	-174.4	162.8	0	0	0	0	111.6	G536 S544 V578 L581 V583 I588	G536-V540 VanDerWaalsContact O-CB 3.25Å; G536-V540 WeakPolarHBondContact O-CB 3.07Å; G536-V540 VanDerWaalsContact O-CG2 3.27Å; G536-V540 WeakPolarHBondContact O-CG2 3.44Å; G536-V540 PolarHBondContact O-N 3Å; V540-S544 VanDerWaalsContact O-CB 3.28Å; V540-S544 WeakPolarHBondContact O-CB 3.42Å; V540-S544 PolarHBondContact O-N 3.34Å; V540-S544 VanDerWaalsContact O-N 3.11Å; V540-S544 PolarHBondContact O-OG 3.16Å; V540-V578 HydrophobicContact CG1-CG1 3.96Å; V540-V578 HydrophobicContact CG2-CG1 4.44Å; V540-L581 HydrophobicContact CG2-CD1 3.95Å; V540-V583 HydrophobicContact CG1-CB 4.16Å; V540-V583 HydrophobicContact CG1-CG1 3.91Å; V540-V583 HydrophobicContact CG1-CG2 4.33Å; V540-V583 HydrophobicContact CG2-CG2 4.44Å; V540-I588 HydrophobicContact CG1-CD1 3.39Å
541	H	93.3	Very high	88.8	Confident	11 Å²	11	28.1 Å²	28.1	5%	0.051	14%	0.142	C	C	.	.	H	α-helix	trans	-67.6	-43.3	173.4	-69.7	91.9	0	0	0	111.6	H537 F539 V543 S544 I545 W592 L617 F627	H537-H541 AromaticContact CD2-CE1 3.41Å; H537-H541 PolarHBondContact CD2-CE1 3.49Å; H537-H541 VanDerWaalsContact CD2-CE1 3.41Å; H537-H541 AromaticContact CD2-ND1 3.6Å; H537-H541 AromaticContact CE1-CE1 3.98Å; H537-H541 AromaticContact CE1-ND1 3.95Å; H537-H541 AromaticContact NE2-CE1 3.19Å; H537-H541 PolarHBondContact NE2-CE1 3.48Å; H537-H541 AromaticContact NE2-ND1 3.55Å; H537-H541 PolarHBondContact O-N 2.74Å; H537-H541 PolarHBondContact O-ND1 3.06Å; F539-H541 PolarHBondContact O-N 3.08Å; H541-V543 PolarHBondContact O-N 3.29Å; H541-S544 PolarHBondContact O-N 3.22Å; H541-I545 HydrophobicContact CB-CD1 4.26Å; H541-I545 VanDerWaalsContact O-CB 3.31Å; H541-I545 WeakPolarHBondContact O-CB 3.28Å; H541-I545 WeakPolarHBondContact O-CG1 3.37Å; H541-I545 PolarHBondContact O-N 2.87Å; H541-W592 AromaticContact CD2-CH2 3.92Å; H541-W592 AromaticContact CD2-CZ3 3.51Å; H541-W592 AromaticContact NE2-CH2 3.91Å; H541-W592 AromaticContact NE2-CZ3 3.6Å; H541-L617 HydrophobicContact CB-CD1 3.85Å; H541-F627 HydrophobicContact CB-CE2 4.23Å; H541-F627 HydrophobicContact CB-CZ 3.98Å
542	G	92.5	Very high	88.8	Confident	4 Å²	4	33.3 Å²	33.3	4%	0.041	16%	0.16	C	C	.	.	H	α-helix	trans	-57.9	-45	178.8	0	0	0	0	0	113.3	R538 F539 N546 F627	R538-G542 PolarHBondContact O-N 3.42Å; F539-G542 PolarHBondContact O-N 3.27Å; G542-N546 WeakPolarHBondContact O-CB 3.45Å; G542-N546 PolarHBondContact O-N 2.79Å; G542-F627 VanDerWaalsContact CA-CD1 3.41Å
543	V	94	Very high	88.8	Confident	3 Å²	3	31 Å²	31	2%	0.018	15%	0.148	C	C	.	.	H	α-helix	trans	-67.7	-46.2	176	165.7	0	0	0	0	112.4	F539 H541 S547 L574 L575 V578 I678	F539-V543 HydrophobicContact CD1-CG2 4.41Å; F539-V543 HydrophobicContact CD2-CG2 4.31Å; F539-V543 HydrophobicContact CE1-CG2 3.93Å; F539-V543 HydrophobicContact CE2-CG2 3.82Å; F539-V543 HydrophobicContact CZ-CG2 3.61Å; F539-V543 PolarHBondContact O-N 3.48Å; H541-V543 PolarHBondContact O-N 3.29Å; V543-S547 WeakPolarHBondContact O-CB 3.36Å; V543-S547 PolarHBondContact O-OG 3.46Å; V543-L574 HydrophobicContact CG1-CB 3.5Å; V543-L574 VanDerWaalsContact CG1-CB 3.5Å; V543-L574 HydrophobicContact CG2-CB 4.29Å; V543-L575 HydrophobicContact CG1-CD2 4.31Å; V543-V578 HydrophobicContact CB-CG2 3.81Å; V543-V578 HydrophobicContact CG1-CG2 3.5Å; V543-I678 HydrophobicContact CG2-CD1 3.84Å
544	S	93.4	Very high	88.5	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-69.5	-37.6	-172.3	-55.7	0	0	0	0	112.5	V540 H541 Y585 R589	V540-S544 VanDerWaalsContact O-CB 3.28Å; V540-S544 WeakPolarHBondContact O-CB 3.42Å; V540-S544 PolarHBondContact O-N 3.34Å; V540-S544 VanDerWaalsContact O-N 3.11Å; V540-S544 PolarHBondContact O-OG 3.16Å; H541-S544 PolarHBondContact O-N 3.22Å; S544-Y585 WeakPolarHBondContact OG-CB 3.38Å; S544-R589 PolarHBondContact O-NE 3.18Å; S544-R589 PolarHBondContact O-NH2 3.42Å
545	I	92.9	Very high	88	Confident	2 Å²	2	28.5 Å²	28.5	1%	0.01	15%	0.147	C	C	.	.	H	α-helix	trans	-88	-48.4	-177	-61.2	173.5	0	0	0	111.1	H541 S547 I588 W592 L597 T612 I614	H541-I545 HydrophobicContact CB-CD1 4.26Å; H541-I545 VanDerWaalsContact O-CB 3.31Å; H541-I545 WeakPolarHBondContact O-CB 3.28Å; H541-I545 WeakPolarHBondContact O-CG1 3.37Å; H541-I545 PolarHBondContact O-N 2.87Å; I545-S547 PolarHBondContact O-N 2.89Å; I545-I588 HydrophobicContact CD1-CG2 4.17Å; I545-I588 HydrophobicContact CG1-CG2 3.95Å; I545-W592 HydrophobicContact CD1-CB 4.21Å; I545-W592 HydrophobicContact CD1-CD2 3.92Å; I545-W592 HydrophobicContact CD1-CE3 3.97Å; I545-W592 HydrophobicContact CD1-CG 4.03Å; I545-W592 HydrophobicContact CG1-CB 4.49Å; I545-L597 HydrophobicContact CG2-CD2 3.82Å; I545-T612 HydrophobicContact CG2-CG2 3.99Å; I545-I614 HydrophobicContact CD1-CD1 3.97Å; I545-I614 HydrophobicContact CG2-CG2 3.75Å
546	N	91.2	Very high	87.1	Confident	2 Å²	2	29.3 Å²	29.3	1%	0.011	15%	0.153	C	C	.	.	S	Bend	trans	-81.1	46.5	179.5	-167.8	32.4	0	0	0	111.8	G542 M610 T612 F627 K629	G542-N546 WeakPolarHBondContact O-CB 3.45Å; G542-N546 PolarHBondContact O-N 2.79Å; N546-M610 PolarHBondContact ND2-O 2.95Å; N546-T612 VanDerWaalsContact OD1-CB 3.3Å; N546-T612 WeakPolarHBondContact OD1-CB 3.19Å; N546-T612 PolarHBondContact OD1-N 3.36Å; N546-T612 PolarHBondContact OD1-OG1 3.29Å; N546-F627 HydrophobicContact CB-CB 3.89Å; N546-F627 PolarHBondContact ND2-O 2.83Å; N546-F627 VanDerWaalsContact ND2-O 3.15Å; N546-K629 PolarHBondContact ND2-N 2.77Å; N546-K629 VanDerWaalsContact O-CD 3.28Å; N546-K629 WeakPolarHBondContact O-CD 3.07Å; N546-K629 WeakPolarHBondContact O-CE 3.28Å; N546-K629 PolarHBondContact O-NZ 3.09Å
547	S	89.2	Confident	86.1	Confident	4 Å²	4	37 Å²	37	3%	0.028	19%	0.194	C	C	.	.	S	Bend	trans	-146.6	144.8	174.4	-64.4	0	0	0	0	109.7	V543 I545 Y549 E571 R589 K629	V543-S547 WeakPolarHBondContact O-CB 3.36Å; V543-S547 PolarHBondContact O-OG 3.46Å; I545-S547 PolarHBondContact O-N 2.89Å; S547-Y549 PolarHBondContact O-N 2.97Å; S547-E571 WeakPolarHBondContact CA-OE1 3.41Å; S547-R589 PolarHBondContact O-NH2 2.74Å; S547-K629 PolarHBondContact OG-NZ 3.44Å
548	S	84	Confident	85.1	Confident	45 Å²	45	39.8 Å²	39.8	32%	0.315	21%	0.205	S	C	.	.			trans	-55.6	139.3	-174.4	-174.7	0	0	0	0	112.6	T550 S551 E571 R589	S548-T550 PolarHBondContact O-N 3.48Å; S548-T550 PolarHBondContact OG-N 3.43Å; S548-T550 PolarHBondContact OG-OG1 3.28Å; S548-S551 WeakPolarHBondContact O-CA 3.46Å; S548-S551 WeakPolarHBondContact O-CB 3.45Å; S548-S551 PolarHBondContact O-N 3.37Å; S548-E571 VanDerWaalsContact CB-OE2 3.32Å; S548-E571 WeakPolarHBondContact CB-OE2 3.5Å; S548-E571 PolarHBondContact N-OE1 3.03Å; S548-E571 PolarHBondContact N-OE2 3.01Å; S548-E571 VanDerWaalsContact N-OE2 3.11Å; S548-R589 PolarHBondContact O-NH2 3.01Å
549	Y	84.7	Confident	83.6	Confident	29 Å²	29	46 Å²	46	11%	0.114	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-12.5	178.1	-77.3	-117.5	0	0	0	112.1	S547 R552 R589 W592 Q594 L597	S547-Y549 PolarHBondContact O-N 2.97Å; Y549-R552 PolarHBondContact O-NE 3.13Å; Y549-R552 PolarHBondContact O-NH2 2.97Å; Y549-R589 HydrophobicContact CD1-CB 4.32Å; Y549-R589 HydrophobicContact CD1-CG 4.32Å; Y549-R589 HydrophobicContact CE1-CB 3.59Å; Y549-R589 HydrophobicContact CE1-CG 3.62Å; Y549-W592 PolarHBondContact OH-O 3.27Å; Y549-Q594 HydrophobicContact CD1-CB 4.47Å; Y549-L597 HydrophobicContact CE2-CD1 4.31Å
550	T	80.9	Confident	82	Confident	101 Å²	101	51 Å²	51	62%	0.62	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-23.4	163.6	61.5	0	0	0	0	112.9	S548 R552	S548-T550 PolarHBondContact O-N 3.48Å; S548-T550 PolarHBondContact OG-N 3.43Å; S548-T550 PolarHBondContact OG-OG1 3.28Å; T550-R552 PolarHBondContact O-N 2.87Å
551	S	82.7	Confident	80.6	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.007	30%	0.298	C	S	.	.			trans	-78.9	116.3	175.4	-64.9	0	0	0	0	110.1	S548 L566 N568 E571 L575 R589	S548-S551 WeakPolarHBondContact O-CA 3.46Å; S548-S551 WeakPolarHBondContact O-CB 3.45Å; S548-S551 PolarHBondContact O-N 3.37Å; S551-L566 CarbonylContact C-O 3.43Å; S551-L566 VanDerWaalsContact CA-O 3.23Å; S551-L566 WeakPolarHBondContact CA-O 3.39Å; S551-N568 PolarHBondContact OG-N 3.09Å; S551-E571 WeakPolarHBondContact CB-OE2 3.06Å; S551-E571 PolarHBondContact OG-OE2 3.08Å; S551-L575 VanDerWaalsContact O-CD1 3.27Å; S551-L575 WeakPolarHBondContact O-CD1 3.22Å; S551-R589 PolarHBondContact O-NH1 3.36Å
552	R	82.9	Confident	79.4	Confident	133 Å²	133	58.8 Å²	58.8	50%	0.502	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	152	-173	-60	-174.6	-174.7	-163.9	-0.2	111	Y549 T550 L566	Y549-R552 PolarHBondContact O-NE 3.13Å; Y549-R552 PolarHBondContact O-NH2 2.97Å; T550-R552 PolarHBondContact O-N 2.87Å; R552-L566 PolarHBondContact N-O 3.26Å; R552-L566 PolarHBondContact O-N 3.2Å
553	V	84.7	Confident	78.6	Confident	8 Å²	8	60.5 Å²	60.5	5%	0.048	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	110.8	172.6	-177.2	0	0	0	0	108.3	P563 Q564 C572 L575 R579 Y585	V553-P563 HydrophobicContact CG1-CB 3.94Å; V553-Q564 WeakPolarHBondContact CA-O 3.17Å; V553-C572 HydrophobicContact CG2-CB 4.04Å; V553-C572 WeakPolarHBondContact CG2-O 3.44Å; V553-L575 HydrophobicContact CG2-CB 4.36Å; V553-R579 PolarHBondContact O-NH1 2.67Å; V553-Y585 PolarHBondContact N-OH 3.33Å; V553-Y585 PolarHBondContact O-OH 2.93Å
554	T	79.8	Confident	77.6	Confident	50 Å²	50	65.6 Å²	65.6	31%	0.307	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	145.3	176.5	49.4	0	0	0	0	110.8	P563 Q564 L566	T554-P563 VanDerWaalsContact O-CA 3.28Å; T554-P563 WeakPolarHBondContact O-CA 3.49Å; T554-P563 WeakPolarHBondContact O-CB 3.4Å; T554-Q564 PolarHBondContact N-O 2.9Å; T554-Q564 VanDerWaalsContact N-O 3.11Å; T554-Q564 PolarHBondContact O-N 2.8Å; T554-Q564 WeakPolarHBondContact OG1-CB 3.28Å; T554-L566 HydrophobicContact CG2-CD1 3.95Å
555	I	74.9	Confident	76.7	Confident	138 Å²	138	67 Å²	67	71%	0.708	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-79.7	134.6	168.6	-59	176.1	0	0	0	106.4
556	P	69.1	Low	75.8	Confident	21 Å²	21	71 Å²	71	14%	0.136	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-79.5	149	-177.4	31.9	-31.2	0	0	0	111.4	K558 E561	P556-K558 PolarHBondContact O-N 3.18Å; P556-E561 HydrophobicContact CB-CB 3.75Å; P556-E561 HydrophobicContact CG-CB 4.19Å; P556-E561 WeakPolarHBondContact CG-O 3.3Å
557	D	69.2	Low	74.9	Confident	161 Å²	161	73.4 Å²	73.4	86%	0.861	41%	0.408	S	S	*	.	S	Bend	trans	-62.8	-27.8	-178.9	-59.6	-45.6	0	0	0	113.1
558	K	69.7	Low	74.5	Confident	107 Å²	107	77.1 Å²	77.1	47%	0.465	43%	0.427	S	S	.	.	S	Bend	trans	-109.7	131.8	177.5	-50.9	-171.4	-151.3	69.7	0	109.9	P556 S560 E561	P556-K558 PolarHBondContact O-N 3.18Å; K558-S560 PolarHBondContact O-N 3.29Å; K558-E561 HydrophobicContact CB-CG 4.37Å; K558-E561 VanDerWaalsContact CD-OE1 3.31Å; K558-E561 WeakPolarHBondContact CD-OE1 3.29Å; K558-E561 WeakPolarHBondContact CE-OE1 3.3Å; K558-E561 VanDerWaalsContact NZ-CD 3.34Å; K558-E561 IonicContact NZ-OE1 3.61Å; K558-E561 PolarHBondContact NZ-OE1 3.03Å; K558-E561 IonicContact NZ-OE2 3.67Å; K558-E561 PolarHBondContact NZ-OE2 3.01Å; K558-E561 PolarHBondContact O-N 3.37Å
559	P	60.7	Low	74.4	Confident	142 Å²	142	78.4 Å²	78.4	92%	0.922	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-5.7	-179.8	29.1	-36.3	0	0	0	114.3
560	S	59.3	Low	74.5	Confident	105 Å²	105	78.1 Å²	78.1	73%	0.734	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-13.9	172.5	54.4	0	0	0	0	114	K558	K558-S560 PolarHBondContact O-N 3.29Å
561	E	63.6	Low	74.9	Confident	79 Å²	79	73.8 Å²	73.8	37%	0.369	40%	0.401	S	S	.	.	S	Bend	trans	-93.1	160.9	-177.7	-77.9	160	-161.6	0	0	111.2	P556 K558	P556-E561 HydrophobicContact CB-CB 3.75Å; P556-E561 HydrophobicContact CG-CB 4.19Å; P556-E561 WeakPolarHBondContact CG-O 3.3Å; K558-E561 HydrophobicContact CB-CG 4.37Å; K558-E561 VanDerWaalsContact CD-OE1 3.31Å; K558-E561 WeakPolarHBondContact CD-OE1 3.29Å; K558-E561 WeakPolarHBondContact CE-OE1 3.3Å; K558-E561 VanDerWaalsContact NZ-CD 3.34Å; K558-E561 IonicContact NZ-OE1 3.61Å; K558-E561 PolarHBondContact NZ-OE1 3.03Å; K558-E561 IonicContact NZ-OE2 3.67Å; K558-E561 PolarHBondContact NZ-OE2 3.01Å; K558-E561 PolarHBondContact O-N 3.37Å
562	L	68.5	Low	75.2	Confident	100 Å²	100	73.7 Å²	73.7	52%	0.524	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-89.4	139.4	178.4	-66.5	176.1	0	0	0	110.8	T504 Q564	T504-L562 HydrophobicContact CG2-CD1 4.02Å; L562-Q564 PolarHBondContact O-N 2.75Å
563	P	75.3	Confident	75.6	Confident	39 Å²	39	67.5 Å²	67.5	25%	0.253	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-48.3	122.3	169.1	-31.1	34.9	0	0	0	113	V553 T554	V553-P563 HydrophobicContact CG1-CB 3.94Å; T554-P563 VanDerWaalsContact O-CA 3.28Å; T554-P563 WeakPolarHBondContact O-CA 3.49Å; T554-P563 WeakPolarHBondContact O-CB 3.4Å
564	Q	73.2	Confident	76	Confident	110 Å²	110	67.3 Å²	67.3	51%	0.514	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	150.7	-175.9	-49.4	174.2	-3.8	0	0	110.3	V553 T554 L562	V553-Q564 WeakPolarHBondContact CA-O 3.17Å; T554-Q564 PolarHBondContact N-O 2.9Å; T554-Q564 VanDerWaalsContact N-O 3.11Å; T554-Q564 PolarHBondContact O-N 2.8Å; T554-Q564 WeakPolarHBondContact OG1-CB 3.28Å; L562-Q564 PolarHBondContact O-N 2.75Å
565	Q	75	Confident	76.7	Confident	29 Å²	29	64.9 Å²	64.9	14%	0.136	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	105.9	178.8	-68.1	-171.5	-32.3	0	0	109.6	R506 M507 C572	R506-Q565 VanDerWaalsContact CG-CD 3.47Å; R506-Q565 HydrophobicContact CG-CG 3.98Å; M507-Q565 PolarHBondContact O-NE2 3.09Å; Q565-C572 HydrophobicContact CB-CB 3.68Å; Q565-C572 VanDerWaalsContact CD-CB 3.5Å; Q565-C572 HydrophobicContact CG-CB 3.57Å
566	L	74.1	Confident	77.4	Confident	88 Å²	88	59.3 Å²	59.3	46%	0.461	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	135.5	175.2	-60.8	175.3	0	0	0	108.8	S551 R552 T554 C572	S551-L566 CarbonylContact C-O 3.43Å; S551-L566 VanDerWaalsContact CA-O 3.23Å; S551-L566 WeakPolarHBondContact CA-O 3.39Å; R552-L566 PolarHBondContact N-O 3.26Å; R552-L566 PolarHBondContact O-N 3.2Å; T554-L566 HydrophobicContact CG2-CD1 3.95Å; L566-C572 PolarHBondContact O-SG 2.76Å
567	G	72.2	Confident	78.5	Confident	52 Å²	52	58.5 Å²	58.5	54%	0.536	33%	0.332	S	S	.	.	S	Bend	trans	86.4	-147.6	-177	0	0	0	0	0	113.7	K569	G567-K569 PolarHBondContact O-N 3.14Å
568	N	80.2	Confident	79.7	Confident	81 Å²	81	50.9 Å²	50.9	43%	0.433	29%	0.291	S	S	.	.			trans	-76.1	112	-175.8	-179.1	-19.9	0	0	0	110.3	S551 T570 E571 C572	S551-N568 PolarHBondContact OG-N 3.09Å; N568-T570 PolarHBondContact O-N 2.85Å; N568-T570 VanDerWaalsContact O-N 3.1Å; N568-T570 VanDerWaalsContact OD1-CB 3.31Å; N568-T570 WeakPolarHBondContact OD1-CB 3.48Å; N568-T570 PolarHBondContact OD1-N 2.9Å; N568-T570 PolarHBondContact OD1-OG1 2.76Å; N568-E571 HydrophobicContact CB-CB 4.34Å; N568-E571 HydrophobicContact CB-CG 3.86Å; N568-E571 WeakPolarHBondContact O-CA 3.25Å; N568-E571 WeakPolarHBondContact O-CB 3.49Å; N568-E571 PolarHBondContact O-N 2.83Å; N568-C572 PolarHBondContact O-N 3.36Å; N568-C572 PolarHBondContact O-SG 3.33Å
569	K	81.4	Confident	80.6	Confident	73 Å²	73	49 Å²	49	32%	0.317	28%	0.281	S	S	.	.	H	α-helix	trans	-53.4	-34.4	-178.7	-57.6	-167.3	180	-167.1	0	113.3	N505 M507 G567 E571 C572 A573	N505-K569 WeakPolarHBondContact O-CD 3.19Å; N505-K569 PolarHBondContact O-NZ 2.99Å; N505-K569 PolarHBondContact OD1-NZ 3.28Å; M507-K569 HydrophobicContact CB-CB 4.19Å; M507-K569 WeakPolarHBondContact CB-O 3.48Å; M507-K569 HydrophobicContact CG-CB 3.72Å; G567-K569 PolarHBondContact O-N 3.14Å; K569-E571 VanDerWaalsContact C-N 3.33Å; K569-E571 PolarHBondContact O-N 3.48Å; K569-C572 PolarHBondContact O-N 3.07Å; K569-A573 PolarHBondContact O-N 3.2Å
570	T	86.3	Confident	81.9	Confident	23 Å²	23	46.5 Å²	46.5	14%	0.141	26%	0.257	C	S	.	.	H	α-helix	trans	-64.4	-37.7	176.4	-38.7	0	0	0	0	111.6	N568 L574 R674 I676 I723	N568-T570 PolarHBondContact O-N 2.85Å; N568-T570 VanDerWaalsContact O-N 3.1Å; N568-T570 VanDerWaalsContact OD1-CB 3.31Å; N568-T570 WeakPolarHBondContact OD1-CB 3.48Å; N568-T570 PolarHBondContact OD1-N 2.9Å; N568-T570 PolarHBondContact OD1-OG1 2.76Å; T570-L574 WeakPolarHBondContact O-CG 3.37Å; T570-R674 PolarHBondContact OG1-NH1 3.28Å; T570-I676 HydrophobicContact CG2-CD1 4.2Å; T570-I676 HydrophobicContact CG2-CG1 4.17Å; T570-I723 HydrophobicContact CG2-CD1 3.81Å
571	E	89.7	Confident	83.3	Confident	9 Å²	9	41.7 Å²	41.7	4%	0.042	22%	0.223	C	C	.	.	H	α-helix	trans	-72.8	-39.7	173.9	-55.6	-170.9	133.1	0	0	111.2	S547 S548 S551 N568 K569 A573 L574 L575 K629	S547-E571 WeakPolarHBondContact CA-OE1 3.41Å; S548-E571 VanDerWaalsContact CB-OE2 3.32Å; S548-E571 WeakPolarHBondContact CB-OE2 3.5Å; S548-E571 PolarHBondContact N-OE1 3.03Å; S548-E571 PolarHBondContact N-OE2 3.01Å; S548-E571 VanDerWaalsContact N-OE2 3.11Å; S551-E571 WeakPolarHBondContact CB-OE2 3.06Å; S551-E571 PolarHBondContact OG-OE2 3.08Å; N568-E571 HydrophobicContact CB-CB 4.34Å; N568-E571 HydrophobicContact CB-CG 3.86Å; N568-E571 WeakPolarHBondContact O-CA 3.25Å; N568-E571 WeakPolarHBondContact O-CB 3.49Å; N568-E571 PolarHBondContact O-N 2.83Å; K569-E571 VanDerWaalsContact C-N 3.33Å; K569-E571 PolarHBondContact O-N 3.48Å; E571-A573 PolarHBondContact O-N 2.92Å; E571-L574 WeakPolarHBondContact O-CB 3.43Å; E571-L574 PolarHBondContact O-N 2.92Å; E571-L575 WeakPolarHBondContact O-CG 3.41Å; E571-L575 PolarHBondContact O-N 2.96Å; E571-K629 IonicContact OE1-NZ 3.93Å; E571-K629 PolarHBondContact OE1-NZ 3.44Å
572	C	89.8	Confident	84.5	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-63.5	-28.7	177.2	-58.4	0	0	0	0	112.7	V553 Q565 L566 N568 K569 G576	V553-C572 HydrophobicContact CG2-CB 4.04Å; V553-C572 WeakPolarHBondContact CG2-O 3.44Å; Q565-C572 HydrophobicContact CB-CB 3.68Å; Q565-C572 VanDerWaalsContact CD-CB 3.5Å; Q565-C572 HydrophobicContact CG-CB 3.57Å; L566-C572 PolarHBondContact O-SG 2.76Å; N568-C572 PolarHBondContact O-N 3.36Å; N568-C572 PolarHBondContact O-SG 3.33Å; K569-C572 PolarHBondContact O-N 3.07Å; C572-G576 PolarHBondContact O-N 3.44Å
573	A	91	Very high	85.4	Confident	3 Å²	3	38.1 Å²	38.1	3%	0.025	22%	0.224	C	C	.	.	H	α-helix	trans	-64.4	-44.7	169.9	0	0	0	0	0	112	M507 K569 E571 G576 F577 I723	M507-A573 HydrophobicContact CB-CB 3.85Å; M507-A573 WeakPolarHBondContact O-CA 3.34Å; M507-A573 WeakPolarHBondContact O-CB 3.4Å; K569-A573 PolarHBondContact O-N 3.2Å; E571-A573 PolarHBondContact O-N 2.92Å; A573-G576 PolarHBondContact O-N 2.88Å; A573-F577 WeakPolarHBondContact O-CB 3.36Å; A573-F577 PolarHBondContact O-N 2.92Å; A573-I723 HydrophobicContact CB-CD1 4.3Å; A573-I723 HydrophobicContact CB-CG2 3.56Å
574	L	93.6	Very high	86.2	Confident	3 Å²	3	38.7 Å²	38.7	2%	0.016	23%	0.225	C	C	.	.	H	α-helix	trans	-67.4	-45.5	178.2	-57.3	173.8	0	0	0	111.3	V509 V543 T570 E571 G576 F577 V578 K629 I678 V721 I723	V509-L574 HydrophobicContact CG2-CD2 4.39Å; V543-L574 HydrophobicContact CG1-CB 3.5Å; V543-L574 VanDerWaalsContact CG1-CB 3.5Å; V543-L574 HydrophobicContact CG2-CB 4.29Å; T570-L574 WeakPolarHBondContact O-CG 3.37Å; E571-L574 WeakPolarHBondContact O-CB 3.43Å; E571-L574 PolarHBondContact O-N 2.92Å; L574-G576 VanDerWaalsContact C-N 3.33Å; L574-G576 PolarHBondContact O-N 2.81Å; L574-F577 CarbonylContact O-C 3.52Å; L574-F577 WeakPolarHBondContact O-CB 3.42Å; L574-F577 PolarHBondContact O-N 2.91Å; L574-F577 VanDerWaalsContact O-N 3.1Å; L574-V578 PolarHBondContact O-N 3.44Å; L574-K629 HydrophobicContact CD1-CD 4.38Å; L574-I678 HydrophobicContact CD1-CD1 4.45Å; L574-I678 HydrophobicContact CD2-CD1 4.12Å; L574-V721 HydrophobicContact CD2-CG2 3.53Å; L574-I723 HydrophobicContact CD2-CD1 4.01Å; L574-I723 HydrophobicContact CG-CD1 4.42Å
575	L	93.2	Very high	87	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-63.1	-38.5	175.8	-65.9	171.5	0	0	0	111.7	V543 S551 V553 E571 F577 V578 R579 Y585	V543-L575 HydrophobicContact CG1-CD2 4.31Å; S551-L575 VanDerWaalsContact O-CD1 3.27Å; S551-L575 WeakPolarHBondContact O-CD1 3.22Å; V553-L575 HydrophobicContact CG2-CB 4.36Å; E571-L575 WeakPolarHBondContact O-CG 3.41Å; E571-L575 PolarHBondContact O-N 2.96Å; L575-F577 VanDerWaalsContact C-N 3.32Å; L575-F577 PolarHBondContact O-N 3.19Å; L575-V578 PolarHBondContact O-N 3.22Å; L575-R579 PolarHBondContact O-N 2.84Å; L575-R579 VanDerWaalsContact O-N 3.13Å; L575-Y585 HydrophobicContact CB-CD1 3.81Å; L575-Y585 HydrophobicContact CB-CE1 3.82Å; L575-Y585 HydrophobicContact CB-CG 4.4Å; L575-Y585 HydrophobicContact CD2-CD1 4.05Å; L575-Y585 HydrophobicContact CD2-CD2 3.99Å; L575-Y585 HydrophobicContact CD2-CG 3.76Å; L575-Y585 HydrophobicContact CG-CD1 4.46Å
576	G	91.1	Very high	87.7	Confident	20 Å²	20	34.7 Å²	34.7	21%	0.206	21%	0.207	C	C	.	.	H	α-helix	trans	-63.1	-35.5	171.1	0	0	0	0	0	113.2	C572 A573 L574 R579 H580	C572-G576 PolarHBondContact O-N 3.44Å; A573-G576 PolarHBondContact O-N 2.88Å; L574-G576 VanDerWaalsContact C-N 3.33Å; L574-G576 PolarHBondContact O-N 2.81Å; G576-R579 PolarHBondContact O-N 3.32Å; G576-H580 PolarHBondContact O-N 2.7Å
577	F	92.5	Very high	88.5	Confident	5 Å²	5	34.4 Å²	34.4	2%	0.022	21%	0.205	C	C	.	.	H	α-helix	trans	-73.1	-33.1	174.7	-179.5	-127.1	0	0	0	112.8	V509 F514 L525 F539 A573 L574 L575 R579 H580 L581 V721	V509-F577 HydrophobicContact CB-CB 4.06Å; V509-F577 HydrophobicContact CB-CD1 4.45Å; V509-F577 HydrophobicContact CB-CD2 4.33Å; V509-F577 HydrophobicContact CB-CG 4.04Å; V509-F577 HydrophobicContact CG1-CD1 4.3Å; V509-F577 HydrophobicContact CG1-CD2 4.35Å; V509-F577 HydrophobicContact CG1-CG 4.22Å; V509-F577 HydrophobicContact CG2-CB 3.71Å; V509-F577 HydrophobicContact CG2-CD1 4.12Å; V509-F577 HydrophobicContact CG2-CG 3.96Å; F514-F577 AromaticContact CE2-CE1 3.94Å; F514-F577 HydrophobicContact CE2-CE1 3.94Å; F514-F577 HydrophobicContact CE2-CZ 4.1Å; F514-F577 HydrophobicContact CZ-CE1 4.16Å; L525-F577 HydrophobicContact CB-CE2 4.2Å; L525-F577 HydrophobicContact CD1-CD2 4.32Å; L525-F577 HydrophobicContact CD1-CE2 4.24Å; L525-F577 HydrophobicContact CD2-CE2 4Å; L525-F577 HydrophobicContact CD2-CZ 4.45Å; L525-F577 HydrophobicContact CG-CE2 4.38Å; F539-F577 AromaticContact CE1-CD1 3.63Å; F539-F577 HydrophobicContact CE1-CD1 3.63Å; F539-F577 AromaticContact CE1-CE1 3.59Å; F539-F577 HydrophobicContact CE1-CE1 3.59Å; F539-F577 AromaticContact CZ-CD1 3.64Å; F539-F577 HydrophobicContact CZ-CD1 3.64Å; F539-F577 AromaticContact CZ-CE1 3.63Å; F539-F577 HydrophobicContact CZ-CE1 3.63Å; A573-F577 WeakPolarHBondContact O-CB 3.36Å; A573-F577 PolarHBondContact O-N 2.92Å; L574-F577 CarbonylContact O-C 3.52Å; L574-F577 WeakPolarHBondContact O-CB 3.42Å; L574-F577 PolarHBondContact O-N 2.91Å; L574-F577 VanDerWaalsContact O-N 3.1Å; L575-F577 VanDerWaalsContact C-N 3.32Å; L575-F577 PolarHBondContact O-N 3.19Å; F577-R579 VanDerWaalsContact C-N 3.33Å; F577-R579 PolarHBondContact O-N 3.43Å; F577-H580 HydrophobicContact CD2-CB 4.27Å; F577-H580 WeakPolarHBondContact O-CB 3.28Å; F577-H580 PolarHBondContact O-N 2.81Å; F577-H580 VanDerWaalsContact O-N 3.13Å; F577-L581 HydrophobicContact CE1-CD1 4.25Å; F577-L581 HydrophobicContact CE2-CG 4.33Å; F577-L581 HydrophobicContact CZ-CD1 4.37Å; F577-L581 HydrophobicContact CZ-CD2 4.46Å; F577-L581 HydrophobicContact CZ-CG 4.32Å; F577-L581 WeakPolarHBondContact O-CG 3.47Å; F577-L581 PolarHBondContact O-N 2.87Å; F577-V721 HydrophobicContact CE1-CG1 4.37Å
578	V	92.9	Very high	89.3	Confident	0 Å²	0	32 Å²	32	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-60.8	-41.8	168.9	170.7	0	0	0	0	111.5	F539 V540 V543 L574 L575 L581 G582 V583	F539-V578 HydrophobicContact CE1-CG2 4.5Å; V540-V578 HydrophobicContact CG1-CG1 3.96Å; V540-V578 HydrophobicContact CG2-CG1 4.44Å; V543-V578 HydrophobicContact CB-CG2 3.81Å; V543-V578 HydrophobicContact CG1-CG2 3.5Å; L574-V578 PolarHBondContact O-N 3.44Å; L575-V578 PolarHBondContact O-N 3.22Å; V578-L581 WeakPolarHBondContact O-CB 3.43Å; V578-L581 PolarHBondContact O-N 3.4Å; V578-G582 PolarHBondContact O-N 2.86Å; V578-V583 CarbonylContact C-O 3.41Å; V578-V583 HydrophobicContact CG1-CB 4.2Å; V578-V583 PolarHBondContact O-N 3.24Å; V578-V583 VanDerWaalsContact O-O 3.07Å
579	R	89.9	Confident	89.8	Confident	69 Å²	69	29 Å²	29	26%	0.26	16%	0.163	S	C	.	.	H	α-helix	trans	-65.5	-36.7	171.2	-76.8	-171.8	178.9	156.1	1.2	112.9	V553 L575 G576 F577 L581 G582 V583 N584 Y585 E586	V553-R579 PolarHBondContact O-NH1 2.67Å; L575-R579 PolarHBondContact O-N 2.84Å; L575-R579 VanDerWaalsContact O-N 3.13Å; G576-R579 PolarHBondContact O-N 3.32Å; F577-R579 VanDerWaalsContact C-N 3.33Å; F577-R579 PolarHBondContact O-N 3.43Å; R579-L581 VanDerWaalsContact C-N 3.34Å; R579-L581 PolarHBondContact O-N 3.25Å; R579-G582 PolarHBondContact O-N 2.76Å; R579-V583 WeakPolarHBondContact CA-O 3.25Å; R579-N584 PolarHBondContact NE-OD1 3.17Å; R579-N584 VanDerWaalsContact NE-OD1 3.07Å; R579-Y585 HydrophobicContact CG-CD1 4.08Å; R579-Y585 HydrophobicContact CG-CE1 4.22Å; R579-Y585 PolarHBondContact NH2-OH 3.21Å; R579-E586 IonicContact CZ-OE2 3.09Å; R579-E586 IonicContact NE-OE2 3.34Å; R579-E586 IonicContact NH2-OE1 3.62Å; R579-E586 PolarHBondContact NH2-OE1 2.76Å; R579-E586 IonicContact NH2-OE2 2.72Å; R579-E586 PolarHBondContact NH2-OE2 3.49Å
580	H	87.4	Confident	90.2	Very high	88 Å²	88	32.8 Å²	32.8	41%	0.407	18%	0.182	S	C	.	.	H	α-helix	trans	-63.8	-36.7	174.5	-172.9	97.3	0	0	0	112.8	G576 F577 G582	G576-H580 PolarHBondContact O-N 2.7Å; F577-H580 HydrophobicContact CD2-CB 4.27Å; F577-H580 WeakPolarHBondContact O-CB 3.28Å; F577-H580 PolarHBondContact O-N 2.81Å; F577-H580 VanDerWaalsContact O-N 3.13Å; H580-G582 PolarHBondContact O-N 3.07Å
581	L	89.7	Confident	90.2	Very high	4 Å²	4	38.6 Å²	38.6	2%	0.021	20%	0.201	C	C	.	.	H	α-helix	trans	-61.6	-19.3	172.4	-76.9	165.3	0	0	0	113.1	P526 L528 L531 F539 V540 F577 V578 R579	P526-L581 VanDerWaalsContact O-CD2 3.28Å; P526-L581 WeakPolarHBondContact O-CD2 3.49Å; L528-L581 VanDerWaalsContact CB-O 3.3Å; L528-L581 WeakPolarHBondContact CB-O 3.29Å; L528-L581 PolarHBondContact N-O 3.47Å; L531-L581 HydrophobicContact CD1-CD2 3.64Å; F539-L581 HydrophobicContact CD1-CD1 3.78Å; F539-L581 HydrophobicContact CE1-CD1 3.79Å; V540-L581 HydrophobicContact CG2-CD1 3.95Å; F577-L581 HydrophobicContact CE1-CD1 4.25Å; F577-L581 HydrophobicContact CE2-CG 4.33Å; F577-L581 HydrophobicContact CZ-CD1 4.37Å; F577-L581 HydrophobicContact CZ-CD2 4.46Å; F577-L581 HydrophobicContact CZ-CG 4.32Å; F577-L581 WeakPolarHBondContact O-CG 3.47Å; F577-L581 PolarHBondContact O-N 2.87Å; V578-L581 WeakPolarHBondContact O-CB 3.43Å; V578-L581 PolarHBondContact O-N 3.4Å; R579-L581 VanDerWaalsContact C-N 3.34Å; R579-L581 PolarHBondContact O-N 3.25Å
582	G	87.4	Confident	90.2	Very high	68 Å²	68	39.9 Å²	39.9	70%	0.701	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	100.9	18.4	179	0	0	0	0	0	114.6	V578 R579 H580	V578-G582 PolarHBondContact O-N 2.86Å; R579-G582 PolarHBondContact O-N 2.76Å; H580-G582 PolarHBondContact O-N 3.07Å
583	V	88.1	Confident	90	Very high	36 Å²	36	42.5 Å²	42.5	22%	0.218	22%	0.222	C	C	.	.			trans	-117.2	137.8	177.9	-171.6	0	0	0	0	109.8	L528 V540 V578 R579 I588	L528-V583 HydrophobicContact CD2-CG2 3.66Å; V540-V583 HydrophobicContact CG1-CB 4.16Å; V540-V583 HydrophobicContact CG1-CG1 3.91Å; V540-V583 HydrophobicContact CG1-CG2 4.33Å; V540-V583 HydrophobicContact CG2-CG2 4.44Å; V578-V583 CarbonylContact C-O 3.41Å; V578-V583 HydrophobicContact CG1-CB 4.2Å; V578-V583 PolarHBondContact O-N 3.24Å; V578-V583 VanDerWaalsContact O-O 3.07Å; R579-V583 WeakPolarHBondContact CA-O 3.25Å; V583-I588 HydrophobicContact CG1-CD1 4.07Å
584	N	90.7	Very high	89.7	Confident	51 Å²	51	47.8 Å²	47.8	27%	0.273	25%	0.247	S	C	.	.			trans	-83.9	132.3	169.7	-164.5	35.2	0	0	0	111.3	R579 E586 D587	R579-N584 PolarHBondContact NE-OD1 3.17Å; R579-N584 VanDerWaalsContact NE-OD1 3.07Å; N584-E586 PolarHBondContact ND2-OE2 3.46Å; N584-E586 VanDerWaalsContact ND2-OE2 3.07Å; N584-E586 PolarHBondContact OD1-OE2 2.94Å; N584-D587 WeakPolarHBondContact CB-OD1 3.27Å; N584-D587 PolarHBondContact ND2-OD1 2.77Å
585	Y	91.1	Very high	89.2	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.282	C	S	.	.	S	Bend	trans	-83.3	-21.6	-178.6	66.7	-105	0	0	0	112.5	S544 V553 L575 R579 I588 R589	S544-Y585 WeakPolarHBondContact OG-CB 3.38Å; V553-Y585 PolarHBondContact N-OH 3.33Å; V553-Y585 PolarHBondContact O-OH 2.93Å; L575-Y585 HydrophobicContact CB-CD1 3.81Å; L575-Y585 HydrophobicContact CB-CE1 3.82Å; L575-Y585 HydrophobicContact CB-CG 4.4Å; L575-Y585 HydrophobicContact CD2-CD1 4.05Å; L575-Y585 HydrophobicContact CD2-CD2 3.99Å; L575-Y585 HydrophobicContact CD2-CG 3.76Å; L575-Y585 HydrophobicContact CG-CD1 4.46Å; R579-Y585 HydrophobicContact CG-CD1 4.08Å; R579-Y585 HydrophobicContact CG-CE1 4.22Å; R579-Y585 PolarHBondContact NH2-OH 3.21Å; Y585-I588 PolarHBondContact O-N 2.88Å; Y585-R589 WeakPolarHBondContact O-CG 3.42Å; Y585-R589 PolarHBondContact O-N 3.44Å; Y585-R589 VanDerWaalsContact O-N 3.09Å
586	E	89.5	Confident	88.9	Confident	55 Å²	55	57.5 Å²	57.5	26%	0.257	30%	0.297	S	S	.	.	H	α-helix	trans	-62.9	-45	173.9	-76	97.6	-168.7	0	0	110.8	R579 N584 I588 R589 E590	R579-E586 IonicContact CZ-OE2 3.09Å; R579-E586 IonicContact NE-OE2 3.34Å; R579-E586 IonicContact NH2-OE1 3.62Å; R579-E586 PolarHBondContact NH2-OE1 2.76Å; R579-E586 IonicContact NH2-OE2 2.72Å; R579-E586 PolarHBondContact NH2-OE2 3.49Å; N584-E586 PolarHBondContact ND2-OE2 3.46Å; N584-E586 VanDerWaalsContact ND2-OE2 3.07Å; N584-E586 PolarHBondContact OD1-OE2 2.94Å; E586-I588 PolarHBondContact O-N 2.96Å; E586-R589 CarbonylContact O-C 3.55Å; E586-R589 WeakPolarHBondContact O-CA 3.4Å; E586-R589 PolarHBondContact O-N 3.13Å; E586-E590 PolarHBondContact O-N 3.48Å
587	D	90.7	Very high	88.7	Confident	82 Å²	82	58 Å²	58	44%	0.439	30%	0.295	S	S	.	.	H	α-helix	trans	-57.3	-16.8	175.7	-46.5	16.8	0	0	0	113.9	N584 R591	N584-D587 WeakPolarHBondContact CB-OD1 3.27Å; N584-D587 PolarHBondContact ND2-OD1 2.77Å; D587-R591 PolarHBondContact O-NE 3.32Å; D587-R591 PolarHBondContact O-NH2 3.1Å; D587-R591 VanDerWaalsContact O-NH2 3.07Å
588	I	89.9	Confident	88.5	Confident	1 Å²	1	60 Å²	60	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-91.8	-44	173.7	-62.5	166.2	0	0	0	109.9	V540 I545 V583 Y585 E586 E590 R591 W592	V540-I588 HydrophobicContact CG1-CD1 3.39Å; I545-I588 HydrophobicContact CD1-CG2 4.17Å; I545-I588 HydrophobicContact CG1-CG2 3.95Å; V583-I588 HydrophobicContact CG1-CD1 4.07Å; Y585-I588 PolarHBondContact O-N 2.88Å; E586-I588 PolarHBondContact O-N 2.96Å; I588-E590 VanDerWaalsContact C-N 3.27Å; I588-E590 PolarHBondContact O-N 3.24Å; I588-R591 PolarHBondContact O-N 2.61Å; I588-R591 VanDerWaalsContact O-N 3.11Å; I588-W592 HydrophobicContact CG2-CE3 4Å; I588-W592 HydrophobicContact CG2-CZ3 4.23Å; I588-W592 PolarHBondContact O-N 2.84Å
589	R	89.7	Confident	88.3	Confident	20 Å²	20	63 Å²	63	8%	0.075	32%	0.32	C	S	.	.	H	α-helix	trans	-66.4	-25.3	177.5	-72.3	-177.5	167.5	-173.8	-17	113.6	S544 S547 S548 Y549 S551 Y585 E586 W592 P593	S544-R589 PolarHBondContact O-NE 3.18Å; S544-R589 PolarHBondContact O-NH2 3.42Å; S547-R589 PolarHBondContact O-NH2 2.74Å; S548-R589 PolarHBondContact O-NH2 3.01Å; Y549-R589 HydrophobicContact CD1-CB 4.32Å; Y549-R589 HydrophobicContact CD1-CG 4.32Å; Y549-R589 HydrophobicContact CE1-CB 3.59Å; Y549-R589 HydrophobicContact CE1-CG 3.62Å; S551-R589 PolarHBondContact O-NH1 3.36Å; Y585-R589 WeakPolarHBondContact O-CG 3.42Å; Y585-R589 PolarHBondContact O-N 3.44Å; Y585-R589 VanDerWaalsContact O-N 3.09Å; E586-R589 CarbonylContact O-C 3.55Å; E586-R589 WeakPolarHBondContact O-CA 3.4Å; E586-R589 PolarHBondContact O-N 3.13Å; R589-W592 CarbonylContact O-C 3.15Å; R589-W592 VanDerWaalsContact O-C 3.28Å; R589-P593 WeakPolarHBondContact O-CA 3.46Å
590	E	89.5	Confident	88.2	Confident	151 Å²	151	62.8 Å²	62.8	71%	0.706	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-32.6	170.4	-71.5	179.3	179.5	0	0	112.6	E586 I588	E586-E590 PolarHBondContact O-N 3.48Å; I588-E590 VanDerWaalsContact C-N 3.27Å; I588-E590 PolarHBondContact O-N 3.24Å
591	R	87.8	Confident	88.3	Confident	145 Å²	145	59.4 Å²	59.4	55%	0.547	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-30.2	177.1	-77.9	-179.9	-75.9	144.3	-2.9	113.3	D587 I588	D587-R591 PolarHBondContact O-NE 3.32Å; D587-R591 PolarHBondContact O-NH2 3.1Å; D587-R591 VanDerWaalsContact O-NH2 3.07Å; I588-R591 PolarHBondContact O-N 2.61Å; I588-R591 VanDerWaalsContact O-N 3.11Å
592	W	88.5	Confident	88.1	Confident	37 Å²	37	63.5 Å²	63.5	14%	0.14	34%	0.336	C	S	.	.	S	Bend	trans	-121	75.4	171.6	-70.9	-86.2	0	0	0	109.9	H541 I545 Y549 I588 R589 S596 L617	H541-W592 AromaticContact CD2-CH2 3.92Å; H541-W592 AromaticContact CD2-CZ3 3.51Å; H541-W592 AromaticContact NE2-CH2 3.91Å; H541-W592 AromaticContact NE2-CZ3 3.6Å; I545-W592 HydrophobicContact CD1-CB 4.21Å; I545-W592 HydrophobicContact CD1-CD2 3.92Å; I545-W592 HydrophobicContact CD1-CE3 3.97Å; I545-W592 HydrophobicContact CD1-CG 4.03Å; I545-W592 HydrophobicContact CG1-CB 4.49Å; Y549-W592 PolarHBondContact OH-O 3.27Å; I588-W592 HydrophobicContact CG2-CE3 4Å; I588-W592 HydrophobicContact CG2-CZ3 4.23Å; I588-W592 PolarHBondContact O-N 2.84Å; R589-W592 CarbonylContact O-C 3.15Å; R589-W592 VanDerWaalsContact O-C 3.28Å; W592-S596 WeakPolarHBondContact CA-OG 3.29Å; W592-L617 HydrophobicContact CH2-CD1 4.18Å; W592-L617 HydrophobicContact CZ2-CD1 4.12Å
593	P	87.1	Confident	88	Confident	54 Å²	54	65.9 Å²	65.9	35%	0.351	33%	0.327	S	S	.	.			trans	-63.4	163	178.2	30.1	-37.2	0	0	0	111.2	R589 E595 S596	R589-P593 WeakPolarHBondContact O-CA 3.46Å; P593-E595 PolarHBondContact O-N 2.8Å; P593-E595 VanDerWaalsContact O-N 3.09Å; P593-S596 WeakPolarHBondContact O-CB 3.4Å; P593-S596 PolarHBondContact O-N 3.27Å; P593-S596 PolarHBondContact O-OG 2.96Å
594	Q	83.2	Confident	87.6	Confident	114 Å²	114	67.1 Å²	67.1	53%	0.533	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-59.4	-30.1	-170.4	-171.1	176.5	-58.3	0	0	113	Y549 S596 L597	Y549-Q594 HydrophobicContact CD1-CB 4.47Å; Q594-S596 VanDerWaalsContact C-N 3.25Å; Q594-S596 PolarHBondContact O-N 2.85Å; Q594-L597 HydrophobicContact CG-CD1 4.38Å; Q594-L597 WeakPolarHBondContact O-CG 3.29Å; Q594-L597 PolarHBondContact O-N 3.09Å
595	E	83	Confident	86.9	Confident	162 Å²	162	69.2 Å²	69.2	76%	0.757	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-72.5	-14.7	177.7	-56.7	71.4	-156.8	0	0	113.1	P593	P593-E595 PolarHBondContact O-N 2.8Å; P593-E595 VanDerWaalsContact O-N 3.09Å
596	S	86.7	Confident	86.3	Confident	45 Å²	45	76.5 Å²	76.5	32%	0.315	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-86.5	-10.7	177.1	75	0	0	0	0	113.9	W592 P593 Q594	W592-S596 WeakPolarHBondContact CA-OG 3.29Å; P593-S596 WeakPolarHBondContact O-CB 3.4Å; P593-S596 PolarHBondContact O-N 3.27Å; P593-S596 PolarHBondContact O-OG 2.96Å; Q594-S596 VanDerWaalsContact C-N 3.25Å; Q594-S596 PolarHBondContact O-N 2.85Å
597	L	87.4	Confident	86	Confident	31 Å²	31	75.9 Å²	75.9	16%	0.162	39%	0.385	C	S	.	.			trans	-74.3	128.1	-178.9	-52.7	-178.6	0	0	0	109.9	I545 Y549 Q594 V600 T612 I614	I545-L597 HydrophobicContact CG2-CD2 3.82Å; Y549-L597 HydrophobicContact CE2-CD1 4.31Å; Q594-L597 HydrophobicContact CG-CD1 4.38Å; Q594-L597 WeakPolarHBondContact O-CG 3.29Å; Q594-L597 PolarHBondContact O-N 3.09Å; L597-V600 HydrophobicContact CB-CG2 4.25Å; L597-V600 HydrophobicContact CD1-CG2 3.9Å; L597-T612 HydrophobicContact CD1-CG2 4.2Å; L597-T612 HydrophobicContact CD2-CG2 3.96Å; L597-T612 HydrophobicContact CG-CG2 4.48Å; L597-I614 HydrophobicContact CD2-CG2 3.7Å
598	V	88.3	Confident	85.9	Confident	46 Å²	46	76 Å²	76	28%	0.279	38%	0.381	S	S	.	.	S	Bend	trans	-75.3	-41.2	-174.7	-175.1	0	0	0	0	111.3	V613 K615 Y624 F705	V598-V613 HydrophobicContact CB-CB 4.18Å; V598-V613 HydrophobicContact CB-CG1 4.05Å; V598-V613 HydrophobicContact CG1-CG1 4.49Å; V598-V613 HydrophobicContact CG2-CG1 4.46Å; V598-V613 PolarHBondContact N-O 2.88Å; V598-K615 HydrophobicContact CG2-CD 4.07Å; V598-K615 HydrophobicContact CG2-CG 3.79Å; V598-Y624 HydrophobicContact CG1-CE1 4.32Å; V598-Y624 HydrophobicContact CG2-CD1 4.29Å; V598-Y624 HydrophobicContact CG2-CE1 4.14Å; V598-F705 HydrophobicContact CG1-CD2 3.92Å; V598-F705 HydrophobicContact CG1-CE2 3.78Å; V598-F705 HydrophobicContact CG1-CG 4.49Å; V598-F705 HydrophobicContact CG1-CZ 4.23Å
599	K	89.5	Confident	85.9	Confident	64 Å²	64	76.3 Å²	76.3	28%	0.278	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	140.5	-179	-165.8	80.7	173.6	-160.7	0	108.6	F601 V613 F705 D706	K599-F601 HydrophobicContact CB-CE2 4.39Å; K599-F601 HydrophobicContact CG-CD2 4.24Å; K599-F601 HydrophobicContact CG-CE1 4.22Å; K599-F601 HydrophobicContact CG-CE2 3.75Å; K599-F601 HydrophobicContact CG-CZ 3.76Å; K599-V613 HydrophobicContact CB-CB 4.17Å; K599-V613 HydrophobicContact CB-CG2 4.02Å; K599-V613 PolarHBondContact O-N 2.89Å; K599-F705 HydrophobicContact CB-CB 4.45Å; K599-F705 HydrophobicContact CD-CB 4.4Å; K599-F705 WeakPolarHBondContact CD-O 3.49Å; K599-F705 WeakPolarHBondContact CE-O 3.36Å; K599-F705 HydrophobicContact CG-CB 4.45Å; K599-F705 PolarHBondContact NZ-O 3.24Å; K599-D706 IonicContact NZ-OD1 2.65Å; K599-D706 PolarHBondContact NZ-OD1 2.88Å
600	V	88	Confident	86	Confident	65 Å²	65	76.9 Å²	76.9	39%	0.394	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	108.2	170.3	-178.7	0	0	0	0	108.4	L597 T602 T612	L597-V600 HydrophobicContact CB-CG2 4.25Å; L597-V600 HydrophobicContact CD1-CG2 3.9Å; V600-T602 PolarHBondContact O-N 2.94Å; V600-T612 HydrophobicContact CG2-CG2 4.16Å
601	F	88.3	Confident	86.2	Confident	16 Å²	16	69.7 Å²	69.7	7%	0.07	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	102.2	166.9	-58.2	-81.5	0	0	0	107.4	K599 M610 S611 V613 F705 E708 I711	K599-F601 HydrophobicContact CB-CE2 4.39Å; K599-F601 HydrophobicContact CG-CD2 4.24Å; K599-F601 HydrophobicContact CG-CE1 4.22Å; K599-F601 HydrophobicContact CG-CE2 3.75Å; K599-F601 HydrophobicContact CG-CZ 3.76Å; F601-M610 WeakPolarHBondContact O-CA 3.43Å; F601-M610 WeakPolarHBondContact O-CG 3.47Å; F601-S611 PolarHBondContact N-O 2.89Å; F601-S611 PolarHBondContact O-N 3.11Å; F601-V613 HydrophobicContact CE2-CG2 4.19Å; F601-F705 WeakPolarHBondContact CZ-O 3.39Å; F601-E708 HydrophobicContact CD1-CB 3.92Å; F601-E708 HydrophobicContact CD1-CG 3.51Å; F601-E708 WeakPolarHBondContact CD1-OE2 3.44Å; F601-E708 HydrophobicContact CD2-CG 4.44Å; F601-E708 HydrophobicContact CE1-CB 3.6Å; F601-E708 HydrophobicContact CE1-CG 3.66Å; F601-E708 HydrophobicContact CG-CG 3.92Å; F601-E708 HydrophobicContact CZ-CB 4.19Å; F601-E708 HydrophobicContact CZ-CG 4.18Å; F601-I711 HydrophobicContact CE2-CG2 3.88Å; F601-I711 HydrophobicContact CZ-CG2 4.42Å
602	T	86.3	Confident	86.4	Confident	90 Å²	90	62.9 Å²	62.9	55%	0.552	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.2	169.2	-179.4	53.8	0	0	0	0	112	V600 N604 R607	V600-T602 PolarHBondContact O-N 2.94Å; T602-N604 PolarHBondContact O-N 3.35Å; T602-R607 PolarHBondContact O-NH2 2.66Å
603	F	83.9	Confident	86.7	Confident	119 Å²	119	61.1 Å²	61.1	52%	0.522	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	128.1	174.4	179.2	-88.1	0	0	0	110.7	K608 M610	F603-K608 VanDerWaalsContact CE2-C 3.46Å; F603-K608 HydrophobicContact CE2-CB 4.31Å; F603-K608 HydrophobicContact CZ-CB 4.43Å; F603-M610 HydrophobicContact CB-CB 4.48Å; F603-M610 HydrophobicContact CB-CE 4.44Å
604	N	80	Confident	86.9	Confident	61 Å²	61	58.6 Å²	58.6	33%	0.326	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	128.2	173.1	168.3	-6.5	0	0	0	109.1	T602 L606 R607 K608	T602-N604 PolarHBondContact O-N 3.35Å; N604-L606 PolarHBondContact O-N 3.06Å; N604-L606 VanDerWaalsContact O-N 3.15Å; N604-L606 PolarHBondContact OD1-N 3.03Å; N604-R607 HydrophobicContact CB-CG 3.89Å; N604-R607 VanDerWaalsContact CB-CZ 3.43Å; N604-R607 PolarHBondContact ND2-NH1 3.37Å; N604-R607 WeakPolarHBondContact O-CG 3.45Å; N604-R607 PolarHBondContact O-N 3.01Å; N604-K608 PolarHBondContact O-N 3.13Å
605	S	76.6	Confident	87.2	Confident	95 Å²	95	58.2 Å²	58.2	66%	0.664	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-24.8	-174.4	-54.7	0	0	0	0	114.9
606	L	77.7	Confident	87.2	Confident	153 Å²	153	54.5 Å²	54.5	80%	0.801	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-46.6	177.4	-65.9	173.2	0	0	0	112	N604	N604-L606 PolarHBondContact O-N 3.06Å; N604-L606 VanDerWaalsContact O-N 3.15Å; N604-L606 PolarHBondContact OD1-N 3.03Å
607	R	83.7	Confident	87.1	Confident	43 Å²	43	52.7 Å²	52.7	16%	0.162	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-22	177.5	56.9	172.7	174.3	-108.1	10.1	113.9	T602 N604 S609 E708	T602-R607 PolarHBondContact O-NH2 2.66Å; N604-R607 HydrophobicContact CB-CG 3.89Å; N604-R607 VanDerWaalsContact CB-CZ 3.43Å; N604-R607 PolarHBondContact ND2-NH1 3.37Å; N604-R607 WeakPolarHBondContact O-CG 3.45Å; N604-R607 PolarHBondContact O-N 3.01Å; R607-S609 WeakPolarHBondContact CD-OG 3.46Å; R607-S609 PolarHBondContact NE-O 2.76Å; R607-S609 VanDerWaalsContact NE-O 3.11Å; R607-S609 PolarHBondContact O-N 3.23Å; R607-E708 WeakPolarHBondContact CD-OE1 3.45Å; R607-E708 VanDerWaalsContact CZ-CD 3.44Å; R607-E708 IonicContact CZ-OE1 2.69Å; R607-E708 IonicContact CZ-OE2 2.7Å; R607-E708 IonicContact NE-OE1 3.83Å; R607-E708 PolarHBondContact NE-OE1 3.31Å; R607-E708 IonicContact NH1-OE1 3.14Å; R607-E708 PolarHBondContact NH1-OE1 2.97Å; R607-E708 IonicContact NH1-OE2 3.59Å; R607-E708 PolarHBondContact NH1-OE2 3.43Å; R607-E708 IonicContact NH2-OE1 2.74Å; R607-E708 IonicContact NH2-OE2 2.82Å; R607-E708 PolarHBondContact NH2-OE2 3.3Å
608	K	87.8	Confident	86.9	Confident	84 Å²	84	53.3 Å²	53.3	37%	0.365	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.9	29.9	-171.3	-49.7	-174.4	-163.9	167.6	0	114.6	F603 N604 G630 A631 E633 M634	F603-K608 VanDerWaalsContact CE2-C 3.46Å; F603-K608 HydrophobicContact CE2-CB 4.31Å; F603-K608 HydrophobicContact CZ-CB 4.43Å; N604-K608 PolarHBondContact O-N 3.13Å; K608-G630 CarbonylContact O-C 3.56Å; K608-G630 WeakPolarHBondContact O-CA 3.22Å; K608-A631 HydrophobicContact CB-CB 3.81Å; K608-A631 HydrophobicContact CD-CB 3.75Å; K608-A631 HydrophobicContact CG-CB 4.5Å; K608-A631 PolarHBondContact O-N 2.97Å; K608-E633 IonicContact NZ-OE1 3.89Å; K608-E633 PolarHBondContact NZ-OE1 2.85Å; K608-M634 HydrophobicContact CB-CG 4.24Å; K608-M634 HydrophobicContact CD-CG 4.04Å; K608-M634 HydrophobicContact CG-CG 4.35Å
609	S	91.4	Very high	86.3	Confident	7 Å²	7	56.5 Å²	56.5	5%	0.049	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	160	-178.2	60.3	0	0	0	0	113	R607 K629	R607-S609 WeakPolarHBondContact CD-OG 3.46Å; R607-S609 PolarHBondContact NE-O 2.76Å; R607-S609 VanDerWaalsContact NE-O 3.11Å; R607-S609 PolarHBondContact O-N 3.23Å; S609-K629 CarbonylContact C-O 3.54Å; S609-K629 WeakPolarHBondContact CA-O 3.47Å; S609-K629 VanDerWaalsContact CB-O 3.3Å; S609-K629 WeakPolarHBondContact CB-O 3.35Å
610	M	91.6	Very high	85.9	Confident	32 Å²	32	60.1 Å²	60.1	16%	0.158	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	136.2	176.6	167.7	-173.3	-85.9	0	0	108.4	N546 F601 F603 K629	N546-M610 PolarHBondContact ND2-O 2.95Å; F601-M610 WeakPolarHBondContact O-CA 3.43Å; F601-M610 WeakPolarHBondContact O-CG 3.47Å; F603-M610 HydrophobicContact CB-CB 4.48Å; F603-M610 HydrophobicContact CB-CE 4.44Å; M610-K629 HydrophobicContact CB-CG 4.47Å; M610-K629 PolarHBondContact N-O 2.97Å; M610-K629 PolarHBondContact O-N 2.75Å
611	S	93.1	Very high	85.8	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	136.9	-177.9	-57.2	0	0	0	0	112.2	F601 F627 T628	F601-S611 PolarHBondContact N-O 2.89Å; F601-S611 PolarHBondContact O-N 3.11Å; S611-F627 CarbonylContact C-O 3.44Å; S611-F627 WeakPolarHBondContact CA-O 3.35Å; S611-T628 WeakPolarHBondContact OG-CB 3.08Å; S611-T628 WeakPolarHBondContact OG-CG2 3.49Å; S611-T628 PolarHBondContact OG-OG1 3.31Å
612	T	93.1	Very high	85.6	Confident	3 Å²	3	60.7 Å²	60.7	2%	0.018	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	133.3	-179.7	-64.7	0	0	0	0	110	I545 N546 L597 V600 F627	I545-T612 HydrophobicContact CG2-CG2 3.99Å; N546-T612 VanDerWaalsContact OD1-CB 3.3Å; N546-T612 WeakPolarHBondContact OD1-CB 3.19Å; N546-T612 PolarHBondContact OD1-N 3.36Å; N546-T612 PolarHBondContact OD1-OG1 3.29Å; L597-T612 HydrophobicContact CD1-CG2 4.2Å; L597-T612 HydrophobicContact CD2-CG2 3.96Å; L597-T612 HydrophobicContact CG-CG2 4.48Å; V600-T612 HydrophobicContact CG2-CG2 4.16Å; T612-F627 PolarHBondContact N-O 2.95Å; T612-F627 PolarHBondContact O-N 3.06Å
613	V	93	Very high	85.6	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	126.4	-178.5	-172.5	0	0	0	0	110.2	V598 K599 F601 Y624 V626 F705 I711	V598-V613 HydrophobicContact CB-CB 4.18Å; V598-V613 HydrophobicContact CB-CG1 4.05Å; V598-V613 HydrophobicContact CG1-CG1 4.49Å; V598-V613 HydrophobicContact CG2-CG1 4.46Å; V598-V613 PolarHBondContact N-O 2.88Å; K599-V613 HydrophobicContact CB-CB 4.17Å; K599-V613 HydrophobicContact CB-CG2 4.02Å; K599-V613 PolarHBondContact O-N 2.89Å; F601-V613 HydrophobicContact CE2-CG2 4.19Å; V613-Y624 HydrophobicContact CG1-CD1 4.26Å; V613-V626 HydrophobicContact CG2-CG1 4.33Å; V613-V626 HydrophobicContact CG2-CG2 4.23Å; V613-F705 HydrophobicContact CG1-CD1 4.2Å; V613-F705 HydrophobicContact CG1-CE1 3.71Å; V613-F705 HydrophobicContact CG1-CZ 4.27Å; V613-I711 HydrophobicContact CG2-CG2 4.46Å
614	I	92.2	Very high	85.9	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	160.7	175.3	58	167.4	0	0	0	112.1	I545 L597 L617 Y624 T625 F627	I545-I614 HydrophobicContact CD1-CD1 3.97Å; I545-I614 HydrophobicContact CG2-CG2 3.75Å; L597-I614 HydrophobicContact CD2-CG2 3.7Å; I614-L617 HydrophobicContact CD1-CB 4Å; I614-L617 HydrophobicContact CD1-CD1 3.93Å; I614-L617 HydrophobicContact CD1-CG 4.43Å; I614-Y624 CarbonylContact O-C 3.43Å; I614-Y624 VanDerWaalsContact O-CA 3.3Å; I614-Y624 WeakPolarHBondContact O-CA 3.35Å; I614-T625 WeakPolarHBondContact CG1-O 3.2Å; I614-T625 PolarHBondContact N-O 3.33Å; I614-T625 PolarHBondContact O-N 2.82Å; I614-F627 HydrophobicContact CD1-CD2 4.31Å; I614-F627 HydrophobicContact CD1-CE2 3.77Å; I614-F627 HydrophobicContact CG1-CE2 4.44Å
615	K	88.8	Confident	86.5	Confident	107 Å²	107	50 Å²	50	47%	0.465	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	148	168.4	-72.3	165.7	-178.2	174.9	0	110.6	V598 L617 G623 Y624	V598-K615 HydrophobicContact CG2-CD 4.07Å; V598-K615 HydrophobicContact CG2-CG 3.79Å; K615-L617 PolarHBondContact O-N 3Å; K615-G623 CarbonylContact C-O 3.15Å; K615-G623 WeakPolarHBondContact CA-O 3.44Å; K615-Y624 HydrophobicContact CD-CE1 4.06Å; K615-Y624 VanDerWaalsContact CE-CE1 3.4Å; K615-Y624 WeakPolarHBondContact CE-OH 3.44Å; K615-Y624 HydrophobicContact CG-CD1 3.78Å; K615-Y624 HydrophobicContact CG-CE1 3.45Å; K615-Y624 VanDerWaalsContact CG-CE1 3.45Å
616	N	82.9	Confident	87.3	Confident	83 Å²	83	45.5 Å²	45.5	44%	0.444	24%	0.235	S	C	.	.			trans	47.2	59	163.5	-57.4	-12.4	0	0	0	114.7	E618 P622 G623	N616-E618 VanDerWaalsContact C-N 3.3Å; N616-E618 PolarHBondContact O-N 2.57Å; N616-P622 WeakPolarHBondContact OD1-CA 3.33Å; N616-G623 PolarHBondContact N-O 3.18Å; N616-G623 PolarHBondContact OD1-N 3.07Å; N616-G623 PolarHBondContact OD1-O 3.27Å
617	L	85.2	Confident	88.2	Confident	7 Å²	7	38.3 Å²	38.3	4%	0.037	20%	0.198	C	C	.	.	S	Bend	trans	-61.3	-39.3	175	176.9	63.9	0	0	0	112.5	H541 W592 I614 K615 T625 F627	H541-L617 HydrophobicContact CB-CD1 3.85Å; W592-L617 HydrophobicContact CH2-CD1 4.18Å; W592-L617 HydrophobicContact CZ2-CD1 4.12Å; I614-L617 HydrophobicContact CD1-CB 4Å; I614-L617 HydrophobicContact CD1-CD1 3.93Å; I614-L617 HydrophobicContact CD1-CG 4.43Å; K615-L617 PolarHBondContact O-N 3Å; L617-T625 HydrophobicContact CD2-CG2 4.2Å; L617-F627 HydrophobicContact CD1-CZ 4.5Å; L617-F627 HydrophobicContact CD2-CE2 4.2Å; L617-F627 HydrophobicContact CD2-CZ 3.64Å
618	E	82.7	Confident	88.7	Confident	44 Å²	44	36.3 Å²	36.3	21%	0.206	19%	0.19	C	C	.	.	S	Bend	trans	-113.5	115.1	177.3	-77.3	155.4	-160.5	0	0	107	H537 R538 N616 D620 R621	H537-E618 IonicContact CE1-OE1 2.77Å; H537-E618 IonicContact ND1-OE1 2.62Å; R538-E618 IonicContact CZ-OE1 3.28Å; R538-E618 VanDerWaalsContact CZ-OE1 3.22Å; R538-E618 IonicContact CZ-OE2 2.76Å; R538-E618 IonicContact NE-OE1 2.8Å; R538-E618 PolarHBondContact NE-OE1 2.85Å; R538-E618 IonicContact NH2-OE1 2.83Å; R538-E618 PolarHBondContact NH2-OE1 3.4Å; R538-E618 IonicContact NH2-OE2 2.97Å; R538-E618 PolarHBondContact NH2-OE2 2.85Å; N616-E618 VanDerWaalsContact C-N 3.3Å; N616-E618 PolarHBondContact O-N 2.57Å; E618-D620 PolarHBondContact O-N 2.93Å; E618-R621 HydrophobicContact CB-CB 4.2Å; E618-R621 CarbonylContact O-C 3.41Å; E618-R621 PolarHBondContact O-N 2.94Å; E618-R621 IonicContact OE2-NH1 3.24Å
619	P	76.7	Confident	89	Confident	114 Å²	114	33.4 Å²	33.4	74%	0.74	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-34.8	-173.5	-28.9	36.2	0	0	0	114.1	R621	P619-R621 VanDerWaalsContact C-N 3.26Å; P619-R621 PolarHBondContact O-N 2.89Å
620	D	81.7	Confident	89.1	Confident	139 Å²	139	33.4 Å²	33.4	74%	0.743	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-14.9	179.5	-48.9	-57.4	0	0	0	113.1	E618 P622 V688	E618-D620 PolarHBondContact O-N 2.93Å; D620-P622 WeakPolarHBondContact O-CD 3.47Å; D620-V688 WeakPolarHBondContact O-CG1 3.4Å
621	R	86.1	Confident	89.1	Confident	38 Å²	38	32.8 Å²	32.8	14%	0.143	18%	0.179	C	C	.	.	S	Bend	trans	-126.6	70.5	-174.4	-52.8	-169.1	74.6	-131.7	-0.6	110.6	E618 P619 I684 V688 G689 E694	E618-R621 HydrophobicContact CB-CB 4.2Å; E618-R621 CarbonylContact O-C 3.41Å; E618-R621 PolarHBondContact O-N 2.94Å; E618-R621 IonicContact OE2-NH1 3.24Å; P619-R621 VanDerWaalsContact C-N 3.26Å; P619-R621 PolarHBondContact O-N 2.89Å; R621-I684 HydrophobicContact CB-CD1 4.45Å; R621-I684 HydrophobicContact CB-CG2 4.44Å; R621-I684 VanDerWaalsContact NH1-CD1 3.31Å; R621-V688 HydrophobicContact CG-CG1 4.02Å; R621-G689 PolarHBondContact NH2-O 2.9Å; R621-E694 IonicContact CZ-OE1 3.04Å; R621-E694 IonicContact CZ-OE2 2.66Å; R621-E694 IonicContact NH1-OE1 2.61Å; R621-E694 PolarHBondContact NH1-OE1 3.37Å; R621-E694 IonicContact NH1-OE2 3.27Å; R621-E694 PolarHBondContact NH1-OE2 2.82Å; R621-E694 IonicContact NH2-OE1 2.67Å; R621-E694 IonicContact NH2-OE2 3.96Å; R621-E694 PolarHBondContact NH2-OE2 2.72Å
622	P	82.5	Confident	89.1	Confident	56 Å²	56	32.8 Å²	32.8	36%	0.364	18%	0.179	S	C	.	.			trans	-59.6	139.7	-177.4	24.6	-35.5	0	0	0	112.5	N616 D620 D685	N616-P622 WeakPolarHBondContact OD1-CA 3.33Å; D620-P622 WeakPolarHBondContact O-CD 3.47Å; P622-D685 PolarHBondContact O-N 3.07Å
623	G	87.2	Confident	88.9	Confident	9 Å²	9	35 Å²	35	9%	0.093	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161.6	-167.5	-170.3	0	0	0	0	0	113.7	K615 N616 Y683	K615-G623 CarbonylContact C-O 3.15Å; K615-G623 WeakPolarHBondContact CA-O 3.44Å; N616-G623 PolarHBondContact N-O 3.18Å; N616-G623 PolarHBondContact OD1-N 3.07Å; N616-G623 PolarHBondContact OD1-O 3.27Å; G623-Y683 CarbonylContact C-O 3.54Å; G623-Y683 WeakPolarHBondContact CA-O 3.31Å
624	Y	89.9	Confident	88.8	Confident	30 Å²	30	37.9 Å²	37.9	12%	0.118	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	140.2	175.5	-64.1	-94.3	0	0	0	110.3	V598 V613 I614 K615 S682 Y683 L697 T702 F705	V598-Y624 HydrophobicContact CG1-CE1 4.32Å; V598-Y624 HydrophobicContact CG2-CD1 4.29Å; V598-Y624 HydrophobicContact CG2-CE1 4.14Å; V613-Y624 HydrophobicContact CG1-CD1 4.26Å; I614-Y624 CarbonylContact O-C 3.43Å; I614-Y624 VanDerWaalsContact O-CA 3.3Å; I614-Y624 WeakPolarHBondContact O-CA 3.35Å; K615-Y624 HydrophobicContact CD-CE1 4.06Å; K615-Y624 VanDerWaalsContact CE-CE1 3.4Å; K615-Y624 WeakPolarHBondContact CE-OH 3.44Å; K615-Y624 HydrophobicContact CG-CD1 3.78Å; K615-Y624 HydrophobicContact CG-CE1 3.45Å; K615-Y624 VanDerWaalsContact CG-CE1 3.45Å; Y624-S682 WeakPolarHBondContact O-CA 3.45Å; Y624-Y683 PolarHBondContact N-O 3.2Å; Y624-Y683 PolarHBondContact O-N 2.79Å; Y624-L697 HydrophobicContact CD2-CD2 3.92Å; Y624-L697 HydrophobicContact CE2-CD2 3.92Å; Y624-T702 HydrophobicContact CE2-CG2 4.45Å; Y624-T702 WeakPolarHBondContact OH-CG2 3.49Å; Y624-F705 HydrophobicContact CD1-CE1 4.28Å; Y624-F705 HydrophobicContact CD1-CE2 4.27Å; Y624-F705 AromaticContact CD1-CZ 3.49Å; Y624-F705 HydrophobicContact CD1-CZ 3.49Å; Y624-F705 VanDerWaalsContact CD1-CZ 3.49Å; Y624-F705 HydrophobicContact CD2-CZ 4.39Å; Y624-F705 AromaticContact CE1-CE2 3.87Å; Y624-F705 HydrophobicContact CE1-CE2 3.87Å; Y624-F705 AromaticContact CE1-CZ 3.54Å; Y624-F705 HydrophobicContact CE1-CZ 3.54Å; Y624-F705 HydrophobicContact CE2-CZ 4.47Å; Y624-F705 AromaticContact CG-CZ 3.94Å; Y624-F705 HydrophobicContact CG-CZ 3.94Å
625	T	92.2	Very high	88.9	Confident	6 Å²	6	38 Å²	38	4%	0.037	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	125.6	169.3	-60.8	0	0	0	0	109.5	I614 L617 F627 Y680 K681	I614-T625 WeakPolarHBondContact CG1-O 3.2Å; I614-T625 PolarHBondContact N-O 3.33Å; I614-T625 PolarHBondContact O-N 2.82Å; L617-T625 HydrophobicContact CD2-CG2 4.2Å; T625-F627 HydrophobicContact CG2-CD1 4.32Å; T625-F627 HydrophobicContact CG2-CD2 4.25Å; T625-F627 HydrophobicContact CG2-CE1 4.06Å; T625-F627 HydrophobicContact CG2-CE2 4Å; T625-F627 HydrophobicContact CG2-CG 4.42Å; T625-F627 HydrophobicContact CG2-CZ 3.91Å; T625-Y680 HydrophobicContact CG2-CD2 4.48Å; T625-K681 WeakPolarHBondContact CA-O 3.28Å
626	V	93.9	Very high	89	Confident	0 Å²	0	33 Å²	33	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	121	170	-170.7	0	0	0	0	107	V613 Y680 K681 Y683 I711	V613-V626 HydrophobicContact CG2-CG1 4.33Å; V613-V626 HydrophobicContact CG2-CG2 4.23Å; V626-Y680 CarbonylContact O-C 3.6Å; V626-Y680 WeakPolarHBondContact O-CA 3.31Å; V626-Y680 WeakPolarHBondContact O-CB 3.47Å; V626-K681 HydrophobicContact CB-CB 4.23Å; V626-K681 HydrophobicContact CG2-CB 4.47Å; V626-K681 PolarHBondContact N-O 3.12Å; V626-K681 PolarHBondContact O-N 2.93Å; V626-Y683 HydrophobicContact CG2-CD2 4.45Å; V626-Y683 HydrophobicContact CG2-CE2 3.93Å; V626-I711 HydrophobicContact CG1-CG2 4.01Å; V626-I711 HydrophobicContact CG2-CG2 3.89Å
627	F	95.6	Very high	89.5	Confident	2 Å²	2	36 Å²	36	1%	0.009	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	132.7	168	-72.8	-63.3	0	0	0	109.3	R538 H541 G542 N546 S611 T612 I614 L617 T625	R538-F627 WeakPolarHBondContact O-CE1 3.34Å; H541-F627 HydrophobicContact CB-CE2 4.23Å; H541-F627 HydrophobicContact CB-CZ 3.98Å; G542-F627 VanDerWaalsContact CA-CD1 3.41Å; N546-F627 HydrophobicContact CB-CB 3.89Å; N546-F627 PolarHBondContact ND2-O 2.83Å; N546-F627 VanDerWaalsContact ND2-O 3.15Å; S611-F627 CarbonylContact C-O 3.44Å; S611-F627 WeakPolarHBondContact CA-O 3.35Å; T612-F627 PolarHBondContact N-O 2.95Å; T612-F627 PolarHBondContact O-N 3.06Å; I614-F627 HydrophobicContact CD1-CD2 4.31Å; I614-F627 HydrophobicContact CD1-CE2 3.77Å; I614-F627 HydrophobicContact CG1-CE2 4.44Å; L617-F627 HydrophobicContact CD1-CZ 4.5Å; L617-F627 HydrophobicContact CD2-CE2 4.2Å; L617-F627 HydrophobicContact CD2-CZ 3.64Å; T625-F627 HydrophobicContact CG2-CD1 4.32Å; T625-F627 HydrophobicContact CG2-CD2 4.25Å; T625-F627 HydrophobicContact CG2-CE1 4.06Å; T625-F627 HydrophobicContact CG2-CE2 4Å; T625-F627 HydrophobicContact CG2-CG 4.42Å; T625-F627 HydrophobicContact CG2-CZ 3.91Å
628	T	95.1	Very high	89.8	Confident	2 Å²	2	38.4 Å²	38.4	1%	0.012	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	137.1	-178.9	-63.6	0	0	0	0	110	S611 A679 V712 L715	S611-T628 WeakPolarHBondContact OG-CB 3.08Å; S611-T628 WeakPolarHBondContact OG-CG2 3.49Å; S611-T628 PolarHBondContact OG-OG1 3.31Å; T628-A679 PolarHBondContact N-O 2.78Å; T628-A679 PolarHBondContact O-N 2.9Å; T628-V712 HydrophobicContact CG2-CG1 4.19Å; T628-L715 HydrophobicContact CG2-CD1 3.84Å
629	K	94.7	Very high	90.3	Very high	22 Å²	22	36.4 Å²	36.4	10%	0.096	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	152.2	170.3	75.1	-175.5	-178.9	-172.1	0	110.4	N546 S547 E571 L574 S609 M610 I676 G677 I678	N546-K629 PolarHBondContact ND2-N 2.77Å; N546-K629 VanDerWaalsContact O-CD 3.28Å; N546-K629 WeakPolarHBondContact O-CD 3.07Å; N546-K629 WeakPolarHBondContact O-CE 3.28Å; N546-K629 PolarHBondContact O-NZ 3.09Å; S547-K629 PolarHBondContact OG-NZ 3.44Å; E571-K629 IonicContact OE1-NZ 3.93Å; E571-K629 PolarHBondContact OE1-NZ 3.44Å; L574-K629 HydrophobicContact CD1-CD 4.38Å; S609-K629 CarbonylContact C-O 3.54Å; S609-K629 WeakPolarHBondContact CA-O 3.47Å; S609-K629 VanDerWaalsContact CB-O 3.3Å; S609-K629 WeakPolarHBondContact CB-O 3.35Å; M610-K629 HydrophobicContact CB-CG 4.47Å; M610-K629 PolarHBondContact N-O 2.97Å; M610-K629 PolarHBondContact O-N 2.75Å; K629-I676 HydrophobicContact CB-CG2 4.5Å; K629-G677 WeakPolarHBondContact CA-O 3.14Å; K629-I678 HydrophobicContact CB-CG1 4.15Å
630	G	93.1	Very high	91.1	Very high	7 Å²	7	33 Å²	33	7%	0.072	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.2	-169.9	178.5	0	0	0	0	0	113.3	K608 S632 I676 G677	K608-G630 CarbonylContact O-C 3.56Å; K608-G630 WeakPolarHBondContact O-CA 3.22Å; G630-S632 PolarHBondContact O-N 3.46Å; G630-I676 WeakPolarHBondContact O-CA 3.41Å; G630-G677 PolarHBondContact N-O 3.02Å; G630-G677 VanDerWaalsContact N-O 3.17Å; G630-G677 PolarHBondContact O-N 2.95Å
631	A	91.8	Very high	91.7	Very high	19 Å²	19	28.1 Å²	28.1	16%	0.157	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	125.9	171.1	0	0	0	0	0	109.6	K608 E633 M634 V635	K608-A631 HydrophobicContact CB-CB 3.81Å; K608-A631 HydrophobicContact CD-CB 3.75Å; K608-A631 HydrophobicContact CG-CB 4.5Å; K608-A631 PolarHBondContact O-N 2.97Å; A631-E633 VanDerWaalsContact C-N 3.28Å; A631-E633 WeakPolarHBondContact CB-OE2 3.34Å; A631-E633 PolarHBondContact O-N 2.83Å; A631-M634 HydrophobicContact CB-CB 4.42Å; A631-M634 HydrophobicContact CB-CG 4.21Å; A631-M634 WeakPolarHBondContact O-CB 3.37Å; A631-M634 PolarHBondContact O-N 2.95Å; A631-V635 PolarHBondContact O-N 3.06Å
632	S	92.6	Very high	92.1	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-55.7	-41.1	-167.9	59.4	0	0	0	0	113.2	G630 M634 V635 L636 I665 T675	G630-S632 PolarHBondContact O-N 3.46Å; S632-M634 PolarHBondContact O-N 2.98Å; S632-V635 PolarHBondContact O-N 3.07Å; S632-L636 WeakPolarHBondContact O-CG 3.37Å; S632-L636 PolarHBondContact O-N 2.62Å; S632-I665 WeakPolarHBondContact OG-CD1 3.49Å; S632-I665 WeakPolarHBondContact OG-CG2 3.41Å; S632-T675 PolarHBondContact N-O 3.1Å; S632-T675 VanDerWaalsContact OG-CB 3.26Å; S632-T675 WeakPolarHBondContact OG-CB 3.45Å; S632-T675 PolarHBondContact OG-OG1 3.42Å
633	E	89.2	Confident	92.5	Very high	49 Å²	49	24.9 Å²	24.9	23%	0.229	13%	0.126	C	C	.	.	H	α-helix	trans	-69	-17.1	179.2	81.9	-69.1	175.5	0	0	114.3	K608 A631 K637	K608-E633 IonicContact NZ-OE1 3.89Å; K608-E633 PolarHBondContact NZ-OE1 2.85Å; A631-E633 VanDerWaalsContact C-N 3.28Å; A631-E633 WeakPolarHBondContact CB-OE2 3.34Å; A631-E633 PolarHBondContact O-N 2.83Å; E633-K637 WeakPolarHBondContact O-CD 3.36Å; E633-K637 VanDerWaalsContact O-CE 3.22Å; E633-K637 WeakPolarHBondContact O-CE 3.14Å; E633-K637 WeakPolarHBondContact O-CG 3.47Å
634	M	91	Very high	92.6	Very high	61 Å²	61	26 Å²	26	30%	0.3	13%	0.129	S	C	.	.	H	α-helix	trans	-95.2	-36.5	175.7	-63.1	-63.2	-69.3	0	0	111.6	K608 A631 S632	K608-M634 HydrophobicContact CB-CG 4.24Å; K608-M634 HydrophobicContact CD-CG 4.04Å; K608-M634 HydrophobicContact CG-CG 4.35Å; A631-M634 HydrophobicContact CB-CB 4.42Å; A631-M634 HydrophobicContact CB-CG 4.21Å; A631-M634 WeakPolarHBondContact O-CB 3.37Å; A631-M634 PolarHBondContact O-N 2.95Å; S632-M634 PolarHBondContact O-N 2.98Å
635	V	93.1	Very high	92.5	Very high	4 Å²	4	26.9 Å²	26.9	2%	0.024	14%	0.143	C	C	.	.	H	α-helix	trans	-70.6	-45.7	177.3	177.4	0	0	0	0	111	A631 S632 K637 K638 C639 A679	A631-V635 PolarHBondContact O-N 3.06Å; S632-V635 PolarHBondContact O-N 3.07Å; V635-K637 VanDerWaalsContact C-N 3.26Å; V635-K637 PolarHBondContact O-N 3.1Å; V635-K638 PolarHBondContact O-N 3.33Å; V635-C639 PolarHBondContact O-N 3.39Å; V635-C639 PolarHBondContact O-SG 2.93Å; V635-C639 VanDerWaalsContact O-SG 3.34Å; V635-A679 HydrophobicContact CG1-CB 3.69Å
636	L	92.8	Very high	92	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-58	-37.7	179.9	-69.8	-175.8	0	0	0	112.6	S632 K638 C639 F652 Q657 L660 V661 I665 C717 I720	S632-L636 WeakPolarHBondContact O-CG 3.37Å; S632-L636 PolarHBondContact O-N 2.62Å; L636-K638 PolarHBondContact O-N 3.27Å; L636-C639 WeakPolarHBondContact O-CB 3.44Å; L636-C639 PolarHBondContact O-N 3.02Å; L636-F652 HydrophobicContact CB-CE1 4.23Å; L636-F652 HydrophobicContact CD1-CZ 4.44Å; L636-F652 HydrophobicContact CD2-CE1 3.79Å; L636-F652 HydrophobicContact CD2-CZ 3.91Å; L636-F652 HydrophobicContact CG-CE1 4.47Å; L636-Q657 PolarHBondContact O-OE1 3.28Å; L636-L660 HydrophobicContact CD1-CD2 4.01Å; L636-L660 HydrophobicContact CD1-CG 4.27Å; L636-L660 HydrophobicContact CD2-CD2 4.18Å; L636-V661 HydrophobicContact CD1-CG2 4.14Å; L636-I665 HydrophobicContact CD1-CD1 3.46Å; L636-I665 VanDerWaalsContact CD1-CD1 3.46Å; L636-I665 HydrophobicContact CG-CD1 4.43Å; L636-C717 HydrophobicContact CD2-CB 4.2Å; L636-C717 VanDerWaalsContact CD2-SG 3.57Å; L636-I720 HydrophobicContact CD1-CD1 4.25Å
637	K	91.7	Very high	91.5	Very high	146 Å²	146	31.4 Å²	31.4	64%	0.635	17%	0.168	S	C	*	.	G	3₁₀ helix	trans	-65.8	-18.1	177.2	-69.9	174.7	-172.6	167	0	114.2	E633 V635	E633-K637 WeakPolarHBondContact O-CD 3.36Å; E633-K637 VanDerWaalsContact O-CE 3.22Å; E633-K637 WeakPolarHBondContact O-CE 3.14Å; E633-K637 WeakPolarHBondContact O-CG 3.47Å; V635-K637 VanDerWaalsContact C-N 3.26Å; V635-K637 PolarHBondContact O-N 3.1Å
638	K	92.1	Very high	91.2	Very high	57 Å²	57	34.4 Å²	34.4	25%	0.248	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-98.6	0.5	171.2	-69.8	-159.3	168.1	-155	0	112.6	V635 L636 D709 V712 D714 L715	V635-K638 PolarHBondContact O-N 3.33Å; L636-K638 PolarHBondContact O-N 3.27Å; K638-D709 IonicContact NZ-OD1 3.81Å; K638-D709 PolarHBondContact NZ-OD1 2.65Å; K638-V712 HydrophobicContact CD-CB 4.49Å; K638-V712 HydrophobicContact CD-CG1 3.9Å; K638-V712 WeakPolarHBondContact CD-O 3.38Å; K638-D714 PolarHBondContact O-N 2.82Å; K638-L715 HydrophobicContact CB-CD1 4.04Å; K638-L715 HydrophobicContact CB-CG 4.44Å; K638-L715 WeakPolarHBondContact O-CB 3.4Å; K638-L715 WeakPolarHBondContact O-CG 3.38Å; K638-L715 PolarHBondContact O-N 3.44Å
639	C	93.8	Very high	91	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.014	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	131.4	174.9	-65.2	0	0	0	0	111.6	V635 L636 F652 Q657 L715 C717	V635-C639 PolarHBondContact O-N 3.39Å; V635-C639 PolarHBondContact O-SG 2.93Å; V635-C639 VanDerWaalsContact O-SG 3.34Å; L636-C639 WeakPolarHBondContact O-CB 3.44Å; L636-C639 PolarHBondContact O-N 3.02Å; C639-F652 HydrophobicContact CB-CD1 3.88Å; C639-F652 HydrophobicContact CB-CE1 4.16Å; C639-Q657 PolarHBondContact O-NE2 3.04Å; C639-L715 CarbonylContact C-O 3.59Å; C639-L715 WeakPolarHBondContact CA-O 3.49Å; C639-L715 HydrophobicContact CB-CB 4.47Å; C639-C717 HydrophobicContact CB-CB 4.4Å
640	S	93.1	Very high	90.8	Very high	42 Å²	42	38.3 Å²	38.3	29%	0.294	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	-11	170.3	-62.8	0	0	0	0	112.1	F652 D714 L715	S640-F652 PolarHBondContact O-N 2.86Å; S640-D714 PolarHBondContact OG-OD1 3.26Å; S640-L715 PolarHBondContact N-O 3.42Å
641	F	94.5	Very high	90.8	Very high	38 Å²	38	42.2 Å²	42.2	17%	0.167	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	161.4	178.2	-62	-91.9	0	0	0	112.3	P649 K650 P651 P692 N693 L715 T716 C717	F641-P649 HydrophobicContact CD1-CB 4.34Å; F641-K650 CarbonylContact C-O 3.59Å; F641-K650 VanDerWaalsContact CA-O 3.31Å; F641-K650 WeakPolarHBondContact CA-O 3.21Å; F641-P651 HydrophobicContact CE1-CG 4.42Å; F641-P692 HydrophobicContact CE1-CB 4.17Å; F641-P692 WeakPolarHBondContact CZ-O 3.38Å; F641-N693 HydrophobicContact CB-CB 4.12Å; F641-N693 HydrophobicContact CD1-CB 3.99Å; F641-N693 HydrophobicContact CD2-CB 3.58Å; F641-N693 HydrophobicContact CE1-CB 4.29Å; F641-N693 HydrophobicContact CE2-CB 3.92Å; F641-N693 HydrophobicContact CG-CB 3.63Å; F641-N693 HydrophobicContact CZ-CB 4.26Å; F641-L715 PolarHBondContact N-O 2.96Å; F641-T716 HydrophobicContact CB-CG2 3.96Å; F641-T716 CarbonylContact O-C 3.59Å; F641-T716 WeakPolarHBondContact O-CA 3.42Å; F641-C717 PolarHBondContact O-N 3.18Å
642	I	93.6	Very high	90.7	Very high	20 Å²	20	41.9 Å²	41.9	10%	0.103	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	145.5	172.7	-173	161.5	0	0	0	109.8	Y513 K650 F652 L660 C717	Y513-I642 HydrophobicContact CE1-CD1 4.44Å; I642-K650 HydrophobicContact CG2-CB 4.2Å; I642-K650 PolarHBondContact N-O 3.16Å; I642-K650 PolarHBondContact O-N 3.38Å; I642-F652 HydrophobicContact CB-CB 4.24Å; I642-F652 HydrophobicContact CB-CD2 3.98Å; I642-F652 HydrophobicContact CB-CG 4.08Å; I642-F652 HydrophobicContact CD1-CD2 4.28Å; I642-F652 HydrophobicContact CD1-CE2 3.99Å; I642-F652 HydrophobicContact CD1-CZ 4.43Å; I642-F652 HydrophobicContact CG2-CB 4.08Å; I642-F652 HydrophobicContact CG2-CD2 3.76Å; I642-F652 HydrophobicContact CG2-CG 4.13Å; I642-L660 HydrophobicContact CD1-CD2 3.99Å; I642-C717 HydrophobicContact CB-CB 4.27Å; I642-C717 HydrophobicContact CD1-CB 4.42Å; I642-C717 HydrophobicContact CG1-CB 4.04Å
643	L	92.1	Very high	90.7	Very high	6 Å²	6	45.6 Å²	45.6	3%	0.031	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	129.3	173.8	-62.6	-176.9	0	0	0	111.2	I535 Y680 T716 C717 I718	I535-L643 HydrophobicContact CG1-CD1 4.21Å; L643-Y680 HydrophobicContact CD1-CE1 4.24Å; L643-Y680 HydrophobicContact CD2-CE1 4.37Å; L643-Y680 HydrophobicContact CG-CE1 4.47Å; L643-T716 HydrophobicContact CD2-CG2 3.83Å; L643-T716 HydrophobicContact CG-CG2 4.05Å; L643-C717 PolarHBondContact N-O 3.26Å; L643-I718 HydrophobicContact CD1-CG1 4.41Å; L643-I718 HydrophobicContact CD1-CG2 4.35Å
644	D	89.3	Confident	90.7	Very high	31 Å²	31	51.3 Å²	51.3	17%	0.166	27%	0.268	C	S	.	.			trans	-77.8	-174.4	172.7	85.4	-25.6	0	0	0	112.2	I535 N646 G647 D648	I535-D644 WeakPolarHBondContact CD1-O 3.36Å; D644-N646 VanDerWaalsContact CG-N 3.35Å; D644-N646 PolarHBondContact O-N 2.92Å; D644-N646 VanDerWaalsContact OD1-CA 3.29Å; D644-N646 WeakPolarHBondContact OD1-CA 3.47Å; D644-N646 WeakPolarHBondContact OD1-CB 3.4Å; D644-N646 PolarHBondContact OD1-N 3.18Å; D644-N646 PolarHBondContact OD2-ND2 2.75Å; D644-G647 PolarHBondContact O-N 3.05Å; D644-G647 VanDerWaalsContact O-N 3.16Å; D644-G647 PolarHBondContact OD1-N 2.82Å; D644-D648 PolarHBondContact N-O 3.19Å; D644-D648 PolarHBondContact OD1-N 3.06Å
645	A	86.2	Confident	90.7	Very high	50 Å²	50	51 Å²	51	41%	0.413	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-21.9	176.1	0	0	0	0	0	114.3
646	N	83.5	Confident	90.6	Very high	98 Å²	98	53.8 Å²	53.8	52%	0.524	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-6.7	177.1	-54.6	-65.6	0	0	0	112.7	N532 D644 D648	N532-N646 VanDerWaalsContact CG-O 3.29Å; N532-N646 PolarHBondContact ND2-O 2.91Å; N532-N646 PolarHBondContact OD1-O 3.09Å; D644-N646 VanDerWaalsContact CG-N 3.35Å; D644-N646 PolarHBondContact O-N 2.92Å; D644-N646 VanDerWaalsContact OD1-CA 3.29Å; D644-N646 WeakPolarHBondContact OD1-CA 3.47Å; D644-N646 WeakPolarHBondContact OD1-CB 3.4Å; D644-N646 PolarHBondContact OD1-N 3.18Å; D644-N646 PolarHBondContact OD2-ND2 2.75Å; N646-D648 VanDerWaalsContact C-N 3.29Å
647	G	83.4	Confident	90.5	Very high	3 Å²	3	54.9 Å²	54.9	3%	0.031	30%	0.296	C	S	.	.	S	Bend	trans	71.5	25.5	-173.1	0	0	0	0	0	112.7	R534 D644	R534-G647 WeakPolarHBondContact CD-O 3.41Å; R534-G647 PolarHBondContact NH1-O 3.19Å; D644-G647 PolarHBondContact O-N 3.05Å; D644-G647 VanDerWaalsContact O-N 3.16Å; D644-G647 PolarHBondContact OD1-N 2.82Å
648	D	88.9	Confident	90.5	Very high	64 Å²	64	53 Å²	53	34%	0.342	29%	0.292	S	S	.	.			trans	-96.4	145.2	170.1	-76.8	-61.3	0	0	0	110.3	R534 D644 N646 K650	R534-D648 IonicContact CZ-OD1 2.72Å; R534-D648 IonicContact NH1-OD1 2.63Å; R534-D648 PolarHBondContact NH1-OD1 3.16Å; R534-D648 IonicContact NH1-OD2 2.65Å; R534-D648 IonicContact NH2-OD1 3.18Å; D644-D648 PolarHBondContact N-O 3.19Å; D644-D648 PolarHBondContact OD1-N 3.06Å; N646-D648 VanDerWaalsContact C-N 3.29Å; D648-K650 PolarHBondContact O-N 3.1Å
649	P	89.7	Confident	90.5	Very high	17 Å²	17	53.3 Å²	53.3	11%	0.11	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	110.5	-175.5	32.5	-35.5	0	0	0	112	F641 F691 P692 N693	F641-P649 HydrophobicContact CD1-CB 4.34Å; P649-F691 HydrophobicContact CG-CB 4.22Å; P649-P692 HydrophobicContact CG-CG 4.43Å; P649-N693 HydrophobicContact CB-CB 3.86Å; P649-N693 VanDerWaalsContact CB-CG 3.48Å; P649-N693 HydrophobicContact CG-CB 4.34Å; P649-N693 WeakPolarHBondContact CG-OD1 3.47Å
650	K	91.7	Very high	90.3	Very high	90 Å²	90	53.8 Å²	53.8	39%	0.391	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	135.4	174.3	-178.8	173.9	168.7	-179.3	0	109.8	E516 F641 I642 D648 F652	E516-K650 IonicContact OE1-NZ 2.63Å; E516-K650 PolarHBondContact OE1-NZ 3.24Å; F641-K650 CarbonylContact C-O 3.59Å; F641-K650 VanDerWaalsContact CA-O 3.31Å; F641-K650 WeakPolarHBondContact CA-O 3.21Å; I642-K650 HydrophobicContact CG2-CB 4.2Å; I642-K650 PolarHBondContact N-O 3.16Å; I642-K650 PolarHBondContact O-N 3.38Å; D648-K650 PolarHBondContact O-N 3.1Å; K650-F652 PolarHBondContact O-N 3.39Å
651	P	91.7	Very high	90.3	Very high	88 Å²	88	53.3 Å²	53.3	57%	0.571	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.4	135.9	171.6	-24	34.3	0	0	0	111	F641	F641-P651 HydrophobicContact CE1-CG 4.42Å
652	F	90.8	Very high	90	Very high	12 Å²	12	57.1 Å²	57.1	5%	0.053	31%	0.308	C	S	.	.			trans	-114	86.8	-170.3	-173.8	-134.3	0	0	0	110.3	L636 C639 S640 I642 K650 D656 Q657 L660	L636-F652 HydrophobicContact CB-CE1 4.23Å; L636-F652 HydrophobicContact CD1-CZ 4.44Å; L636-F652 HydrophobicContact CD2-CE1 3.79Å; L636-F652 HydrophobicContact CD2-CZ 3.91Å; L636-F652 HydrophobicContact CG-CE1 4.47Å; C639-F652 HydrophobicContact CB-CD1 3.88Å; C639-F652 HydrophobicContact CB-CE1 4.16Å; S640-F652 PolarHBondContact O-N 2.86Å; I642-F652 HydrophobicContact CB-CB 4.24Å; I642-F652 HydrophobicContact CB-CD2 3.98Å; I642-F652 HydrophobicContact CB-CG 4.08Å; I642-F652 HydrophobicContact CD1-CD2 4.28Å; I642-F652 HydrophobicContact CD1-CE2 3.99Å; I642-F652 HydrophobicContact CD1-CZ 4.43Å; I642-F652 HydrophobicContact CG2-CB 4.08Å; I642-F652 HydrophobicContact CG2-CD2 3.76Å; I642-F652 HydrophobicContact CG2-CG 4.13Å; K650-F652 PolarHBondContact O-N 3.39Å; F652-D656 HydrophobicContact CD2-CB 3.68Å; F652-D656 HydrophobicContact CE2-CB 3.81Å; F652-Q657 HydrophobicContact CD1-CG 3.73Å; F652-Q657 HydrophobicContact CD2-CG 4.39Å; F652-Q657 HydrophobicContact CE1-CB 4.06Å; F652-Q657 HydrophobicContact CE1-CG 3.47Å; F652-Q657 VanDerWaalsContact CE1-CG 3.47Å; F652-Q657 HydrophobicContact CE2-CG 4.16Å; F652-Q657 HydrophobicContact CG-CG 4.19Å; F652-Q657 HydrophobicContact CZ-CB 3.93Å; F652-Q657 HydrophobicContact CZ-CG 3.7Å; F652-Q657 PolarHBondContact O-NE2 3.37Å; F652-Q657 VanDerWaalsContact O-NE2 3.16Å; F652-L660 HydrophobicContact CE2-CD2 4.19Å; F652-L660 HydrophobicContact CZ-CD2 3.92Å
653	T	91.6	Very high	89.9	Confident	78 Å²	78	60.1 Å²	60.1	48%	0.479	32%	0.324	S	S	.	.			trans	-70.3	156.6	-173.9	79.5	0	0	0	0	111.1	A655 D656 Q657	T653-A655 PolarHBondContact O-N 2.91Å; T653-A655 VanDerWaalsContact O-N 3.11Å; T653-D656 WeakPolarHBondContact CA-OD2 3.41Å; T653-D656 VanDerWaalsContact CB-OD2 3.25Å; T653-D656 WeakPolarHBondContact CB-OD2 3.47Å; T653-D656 WeakPolarHBondContact CG2-OD2 3.41Å; T653-D656 PolarHBondContact N-OD2 3.17Å; T653-D656 WeakPolarHBondContact O-CA 3.31Å; T653-D656 WeakPolarHBondContact O-CB 3.33Å; T653-D656 PolarHBondContact O-N 3Å; T653-D656 PolarHBondContact OG1-OD2 3.2Å; T653-Q657 VanDerWaalsContact O-CG 3.28Å; T653-Q657 WeakPolarHBondContact O-CG 3.4Å; T653-Q657 PolarHBondContact O-N 3.49Å; T653-Q657 VanDerWaalsContact O-N 3.08Å
654	K	90.2	Very high	89.8	Confident	169 Å²	169	60.4 Å²	60.4	74%	0.735	33%	0.326	S	S	*	.	H	α-helix	trans	-51.7	-38.5	-180	-68.5	-169.9	177.4	-176.7	0	113.3	D656 Q657 D658	K654-D656 VanDerWaalsContact C-N 3.35Å; K654-D656 PolarHBondContact O-N 2.98Å; K654-Q657 WeakPolarHBondContact O-CB 3.14Å; K654-Q657 PolarHBondContact O-N 2.67Å; K654-Q657 VanDerWaalsContact O-N 3.14Å; K654-D658 PolarHBondContact O-N 2.95Å
655	A	91.5	Very high	89.9	Confident	55 Å²	55	59.4 Å²	59.4	46%	0.455	32%	0.32	S	S	.	.	H	α-helix	trans	-64.2	-36.4	175.8	0	0	0	0	0	112.9	T653 Q657 N659	T653-A655 PolarHBondContact O-N 2.91Å; T653-A655 VanDerWaalsContact O-N 3.11Å; A655-Q657 VanDerWaalsContact C-N 3.33Å; A655-N659 VanDerWaalsContact O-CB 3.3Å; A655-N659 WeakPolarHBondContact O-CB 3.44Å; A655-N659 PolarHBondContact O-N 3.29Å; A655-N659 PolarHBondContact O-ND2 3.24Å
656	D	90.3	Very high	90	Very high	62 Å²	62	62.6 Å²	62.6	33%	0.332	33%	0.327	S	S	.	.	H	α-helix	trans	-67.2	-36.2	173.3	-52.3	-57.7	0	0	0	111.1	F652 T653 K654 L660	F652-D656 HydrophobicContact CD2-CB 3.68Å; F652-D656 HydrophobicContact CE2-CB 3.81Å; T653-D656 WeakPolarHBondContact CA-OD2 3.41Å; T653-D656 VanDerWaalsContact CB-OD2 3.25Å; T653-D656 WeakPolarHBondContact CB-OD2 3.47Å; T653-D656 WeakPolarHBondContact CG2-OD2 3.41Å; T653-D656 PolarHBondContact N-OD2 3.17Å; T653-D656 WeakPolarHBondContact O-CA 3.31Å; T653-D656 WeakPolarHBondContact O-CB 3.33Å; T653-D656 PolarHBondContact O-N 3Å; T653-D656 PolarHBondContact OG1-OD2 3.2Å; K654-D656 VanDerWaalsContact C-N 3.35Å; K654-D656 PolarHBondContact O-N 2.98Å; D656-L660 VanDerWaalsContact O-CB 3.28Å; D656-L660 WeakPolarHBondContact O-CB 3.44Å; D656-L660 PolarHBondContact O-N 3.38Å
657	Q	91	Very high	90.2	Very high	25 Å²	25	62.2 Å²	62.2	12%	0.117	32%	0.322	C	S	.	.	H	α-helix	trans	-65.9	-50.2	175.5	-38.5	-164.3	-7.4	0	0	111	L636 C639 F652 T653 K654 A655 N659 L660 V661	L636-Q657 PolarHBondContact O-OE1 3.28Å; C639-Q657 PolarHBondContact O-NE2 3.04Å; F652-Q657 HydrophobicContact CD1-CG 3.73Å; F652-Q657 HydrophobicContact CD2-CG 4.39Å; F652-Q657 HydrophobicContact CE1-CB 4.06Å; F652-Q657 HydrophobicContact CE1-CG 3.47Å; F652-Q657 VanDerWaalsContact CE1-CG 3.47Å; F652-Q657 HydrophobicContact CE2-CG 4.16Å; F652-Q657 HydrophobicContact CG-CG 4.19Å; F652-Q657 HydrophobicContact CZ-CB 3.93Å; F652-Q657 HydrophobicContact CZ-CG 3.7Å; F652-Q657 PolarHBondContact O-NE2 3.37Å; F652-Q657 VanDerWaalsContact O-NE2 3.16Å; T653-Q657 VanDerWaalsContact O-CG 3.28Å; T653-Q657 WeakPolarHBondContact O-CG 3.4Å; T653-Q657 PolarHBondContact O-N 3.49Å; T653-Q657 VanDerWaalsContact O-N 3.08Å; K654-Q657 WeakPolarHBondContact O-CB 3.14Å; K654-Q657 PolarHBondContact O-N 2.67Å; K654-Q657 VanDerWaalsContact O-N 3.14Å; A655-Q657 VanDerWaalsContact C-N 3.33Å; Q657-N659 VanDerWaalsContact C-N 3.35Å; Q657-N659 PolarHBondContact O-N 3.47Å; Q657-L660 PolarHBondContact O-N 2.88Å; Q657-V661 WeakPolarHBondContact O-CG2 3.24Å; Q657-V661 PolarHBondContact O-N 2.76Å
658	D	91.1	Very high	90.4	Very high	105 Å²	105	62.1 Å²	62.1	56%	0.561	32%	0.32	S	S	*	.	H	α-helix	trans	-64.5	-38.3	-178.7	-65.6	-32.8	0	0	0	111.7	K654 V661 R662	K654-D658 PolarHBondContact O-N 2.95Å; D658-V661 PolarHBondContact O-N 3.07Å; D658-R662 PolarHBondContact O-N 2.86Å
659	N	91.8	Very high	90.2	Very high	65 Å²	65	60.9 Å²	60.9	35%	0.348	32%	0.319	S	S	.	.	H	α-helix	trans	-64	-46.1	171.6	-73.4	-33.1	0	0	0	111.8	A655 Q657 V661 R662 D663	A655-N659 VanDerWaalsContact O-CB 3.3Å; A655-N659 WeakPolarHBondContact O-CB 3.44Å; A655-N659 PolarHBondContact O-N 3.29Å; A655-N659 PolarHBondContact O-ND2 3.24Å; Q657-N659 VanDerWaalsContact C-N 3.35Å; Q657-N659 PolarHBondContact O-N 3.47Å; N659-V661 VanDerWaalsContact C-N 3.29Å; N659-V661 PolarHBondContact O-N 3.41Å; N659-R662 PolarHBondContact O-N 2.52Å; N659-R662 VanDerWaalsContact OD1-CZ 3.3Å; N659-R662 PolarHBondContact OD1-NH1 2.73Å; N659-R662 PolarHBondContact OD1-NH2 2.95Å; N659-D663 WeakPolarHBondContact O-CB 3.42Å; N659-D663 PolarHBondContact O-N 3.47Å
660	L	91.4	Very high	89.8	Confident	12 Å²	12	63.5 Å²	63.5	6%	0.063	34%	0.338	C	S	.	.	H	α-helix	trans	-66.7	-30	178.9	-172.4	62.5	0	0	0	112.7	Y513 L636 I642 F652 D656 Q657 V664 I665 I720	Y513-L660 HydrophobicContact CD1-CD1 4.01Å; Y513-L660 HydrophobicContact CD2-CD1 4.45Å; Y513-L660 HydrophobicContact CE1-CD1 3.57Å; Y513-L660 HydrophobicContact CE1-CD2 4.2Å; Y513-L660 HydrophobicContact CE2-CD1 4.05Å; Y513-L660 HydrophobicContact CG-CD1 4.42Å; L636-L660 HydrophobicContact CD1-CD2 4.01Å; L636-L660 HydrophobicContact CD1-CG 4.27Å; L636-L660 HydrophobicContact CD2-CD2 4.18Å; I642-L660 HydrophobicContact CD1-CD2 3.99Å; F652-L660 HydrophobicContact CE2-CD2 4.19Å; F652-L660 HydrophobicContact CZ-CD2 3.92Å; D656-L660 VanDerWaalsContact O-CB 3.28Å; D656-L660 WeakPolarHBondContact O-CB 3.44Å; D656-L660 PolarHBondContact O-N 3.38Å; Q657-L660 PolarHBondContact O-N 2.88Å; L660-V664 HydrophobicContact CD1-CB 3.97Å; L660-V664 HydrophobicContact CD1-CG2 3.73Å; L660-V664 WeakPolarHBondContact O-CB 3.24Å; L660-V664 PolarHBondContact O-N 3.03Å; L660-I665 PolarHBondContact O-N 3.31Å; L660-I720 HydrophobicContact CD1-CD1 4.26Å; L660-I720 HydrophobicContact CD2-CD1 3.76Å; L660-I720 HydrophobicContact CG-CD1 3.87Å
661	V	91.2	Very high	89.4	Confident	31 Å²	31	62 Å²	62	19%	0.188	33%	0.334	C	S	.	.	I	π-helix	trans	-64.8	-55.5	170.6	172.1	0	0	0	0	110.3	L636 Q657 D658 N659 I665 E666	L636-V661 HydrophobicContact CD1-CG2 4.14Å; Q657-V661 WeakPolarHBondContact O-CG2 3.24Å; Q657-V661 PolarHBondContact O-N 2.76Å; D658-V661 PolarHBondContact O-N 3.07Å; N659-V661 VanDerWaalsContact C-N 3.29Å; N659-V661 PolarHBondContact O-N 3.41Å; V661-I665 HydrophobicContact CG2-CD1 4.04Å; V661-I665 CarbonylContact O-C 3.51Å; V661-I665 WeakPolarHBondContact O-CA 3.26Å; V661-I665 WeakPolarHBondContact O-CB 3.42Å; V661-I665 PolarHBondContact O-N 2.8Å; V661-I665 VanDerWaalsContact O-N 3.07Å; V661-E666 HydrophobicContact CG1-CG 4.33Å; V661-E666 PolarHBondContact O-N 3.21Å
662	R	90	Very high	88.8	Confident	119 Å²	119	58.1 Å²	58.1	45%	0.449	31%	0.31	S	S	.	.	I	π-helix	trans	-63.6	-51.3	-177.7	-175.6	-170	65.7	-118	-7.4	113.1	D658 N659	D658-R662 PolarHBondContact O-N 2.86Å; N659-R662 PolarHBondContact O-N 2.52Å; N659-R662 VanDerWaalsContact OD1-CZ 3.3Å; N659-R662 PolarHBondContact OD1-NH1 2.73Å; N659-R662 PolarHBondContact OD1-NH2 2.95Å
663	D	90.3	Very high	88.6	Confident	83 Å²	83	58 Å²	58	44%	0.444	31%	0.31	S	S	.	.	I	π-helix	trans	-85.3	-13.3	-166.8	-58.5	-26	0	0	0	113.4	N659	N659-D663 WeakPolarHBondContact O-CB 3.42Å; N659-D663 PolarHBondContact O-N 3.47Å
664	V	90.5	Very high	88.4	Confident	12 Å²	12	60 Å²	60	7%	0.073	31%	0.309	C	S	.	.	I	π-helix	trans	-129.3	-52.8	179.9	-178.5	0	0	0	0	112.5	Y513 L518 L660 M668	Y513-V664 HydrophobicContact CD2-CG1 4.3Å; Y513-V664 HydrophobicContact CD2-CG2 4.12Å; Y513-V664 HydrophobicContact CE2-CG2 4.19Å; Y513-V664 HydrophobicContact CG-CG1 4.39Å; L518-V664 HydrophobicContact CD1-CG1 4.1Å; L518-V664 HydrophobicContact CD2-CG1 4.45Å; L660-V664 HydrophobicContact CD1-CB 3.97Å; L660-V664 HydrophobicContact CD1-CG2 3.73Å; L660-V664 WeakPolarHBondContact O-CB 3.24Å; L660-V664 PolarHBondContact O-N 3.03Å; V664-M668 HydrophobicContact CG1-CE 3.84Å; V664-M668 HydrophobicContact CG1-SD 4.38Å; V664-M668 WeakPolarHBondContact O-CB 3.44Å; V664-M668 WeakPolarHBondContact O-CG 3.41Å; V664-M668 PolarHBondContact O-N 2.89Å
665	I	90.7	Very high	88.5	Confident	9 Å²	9	52.7 Å²	52.7	5%	0.046	28%	0.279	C	S	.	.	I	π-helix	trans	-70.5	-44.8	-174.8	-67.4	164.5	0	0	0	111.7	S632 L636 L660 V661 Q667 M668 A669 T675 I720	S632-I665 WeakPolarHBondContact OG-CD1 3.49Å; S632-I665 WeakPolarHBondContact OG-CG2 3.41Å; L636-I665 HydrophobicContact CD1-CD1 3.46Å; L636-I665 VanDerWaalsContact CD1-CD1 3.46Å; L636-I665 HydrophobicContact CG-CD1 4.43Å; L660-I665 PolarHBondContact O-N 3.31Å; V661-I665 HydrophobicContact CG2-CD1 4.04Å; V661-I665 CarbonylContact O-C 3.51Å; V661-I665 WeakPolarHBondContact O-CA 3.26Å; V661-I665 WeakPolarHBondContact O-CB 3.42Å; V661-I665 PolarHBondContact O-N 2.8Å; V661-I665 VanDerWaalsContact O-N 3.07Å; I665-Q667 VanDerWaalsContact C-N 3.35Å; I665-M668 PolarHBondContact O-N 3.04Å; I665-A669 VanDerWaalsContact O-CB 3.28Å; I665-A669 WeakPolarHBondContact O-CB 3.45Å; I665-A669 PolarHBondContact O-N 3.07Å; I665-T675 HydrophobicContact CG2-CG2 4.22Å; I665-I720 HydrophobicContact CD1-CD1 3.9Å; I665-I720 HydrophobicContact CG1-CD1 3.96Å; I665-I720 HydrophobicContact CG1-CG2 4.39Å
666	E	88.6	Confident	88.7	Confident	118 Å²	118	51 Å²	51	55%	0.551	26%	0.262	S	S	*	.	I	π-helix	trans	-67.2	-36.3	178	-67.4	-176.1	160.1	0	0	111.4	V661 A669 S670	V661-E666 HydrophobicContact CG1-CG 4.33Å; V661-E666 PolarHBondContact O-N 3.21Å; E666-A669 PolarHBondContact O-N 2.96Å; E666-S670 WeakPolarHBondContact O-CB 3.33Å; E666-S670 PolarHBondContact O-N 3.3Å
667	Q	87.6	Confident	88.9	Confident	89 Å²	89	48.1 Å²	48.1	42%	0.416	25%	0.246	S	C	.	.	H	α-helix	trans	-61.4	-54.1	171.7	-175	173.2	-7.3	0	0	111.4	I665 A669 S670 D671	I665-Q667 VanDerWaalsContact C-N 3.35Å; Q667-A669 VanDerWaalsContact C-N 3.26Å; Q667-A669 PolarHBondContact O-N 3.1Å; Q667-S670 WeakPolarHBondContact O-CB 3.42Å; Q667-S670 PolarHBondContact O-N 3.28Å; Q667-S670 PolarHBondContact O-OG 3.22Å; Q667-D671 PolarHBondContact O-N 3.35Å
668	M	89.1	Confident	89.1	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-54.2	-42.3	175.9	-76.8	-173.6	-178.4	0	0	112.1	Q511 L518 V664 I665 S670 D671 G672 L673 T675 I720	Q511-M668 HydrophobicContact CB-CE 3.98Å; L518-M668 HydrophobicContact CD1-CE 3.4Å; V664-M668 HydrophobicContact CG1-CE 3.84Å; V664-M668 HydrophobicContact CG1-SD 4.38Å; V664-M668 WeakPolarHBondContact O-CB 3.44Å; V664-M668 WeakPolarHBondContact O-CG 3.41Å; V664-M668 PolarHBondContact O-N 2.89Å; I665-M668 PolarHBondContact O-N 3.04Å; M668-S670 VanDerWaalsContact C-N 3.34Å; M668-D671 PolarHBondContact O-N 3.38Å; M668-G672 PolarHBondContact O-N 3.06Å; M668-L673 HydrophobicContact CB-CB 4.34Å; M668-L673 HydrophobicContact CB-CD1 4.21Å; M668-L673 HydrophobicContact CG-CD1 4.23Å; M668-L673 VanDerWaalsContact O-CB 3.24Å; M668-L673 WeakPolarHBondContact O-CB 3.21Å; M668-L673 WeakPolarHBondContact O-CG 3.46Å; M668-L673 PolarHBondContact O-N 3.43Å; M668-T675 HydrophobicContact CB-CG2 3.42Å; M668-T675 VanDerWaalsContact CB-CG2 3.42Å; M668-T675 HydrophobicContact CG-CG2 4.17Å; M668-T675 HydrophobicContact SD-CG2 3.71Å; M668-I720 HydrophobicContact SD-CG2 4.23Å
669	A	83.6	Confident	89.4	Confident	39 Å²	39	42.1 Å²	42.1	32%	0.322	22%	0.215	S	C	.	.	H	α-helix	trans	-70.2	-28.8	178.6	0	0	0	0	0	113.1	I665 E666 Q667 G672	I665-A669 VanDerWaalsContact O-CB 3.28Å; I665-A669 WeakPolarHBondContact O-CB 3.45Å; I665-A669 PolarHBondContact O-N 3.07Å; E666-A669 PolarHBondContact O-N 2.96Å; Q667-A669 VanDerWaalsContact C-N 3.26Å; Q667-A669 PolarHBondContact O-N 3.1Å; A669-G672 PolarHBondContact O-N 3.43Å
670	S	81.2	Confident	89.5	Confident	72 Å²	72	39.8 Å²	39.8	50%	0.503	20%	0.201	S	C	.	.	H	α-helix	trans	-71.4	-36.7	174.2	78.7	0	0	0	0	112.3	E666 Q667 M668 G672	E666-S670 WeakPolarHBondContact O-CB 3.33Å; E666-S670 PolarHBondContact O-N 3.3Å; Q667-S670 WeakPolarHBondContact O-CB 3.42Å; Q667-S670 PolarHBondContact O-N 3.28Å; Q667-S670 PolarHBondContact O-OG 3.22Å; M668-S670 VanDerWaalsContact C-N 3.34Å; S670-G672 PolarHBondContact O-N 2.98Å; S670-G672 VanDerWaalsContact O-N 3.16Å
671	D	82.9	Confident	89.7	Confident	58 Å²	58	39.6 Å²	39.6	31%	0.31	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-4	169	-75.5	-28.3	0	0	0	112.8	Q667 M668 L673 S758	Q667-D671 PolarHBondContact O-N 3.35Å; M668-D671 PolarHBondContact O-N 3.38Å; D671-L673 HydrophobicContact CB-CG 4.24Å; D671-S758 VanDerWaalsContact O-CB 3.24Å; D671-S758 WeakPolarHBondContact O-CB 3.48Å; D671-S758 PolarHBondContact O-OG 2.92Å
672	G	78.9	Confident	89.7	Confident	6 Å²	6	38.1 Å²	38.1	6%	0.062	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.3	4.3	176	0	0	0	0	0	115.2	M668 A669 S670 T755	M668-G672 PolarHBondContact O-N 3.06Å; A669-G672 PolarHBondContact O-N 3.43Å; S670-G672 PolarHBondContact O-N 2.98Å; S670-G672 VanDerWaalsContact O-N 3.16Å; G672-T755 PolarHBondContact O-OG1 2.61Å
673	L	87.9	Confident	89.6	Confident	9 Å²	9	33.2 Å²	33.2	5%	0.047	17%	0.172	C	C	.	.			trans	-76	143.4	-175.1	-50.7	177.9	0	0	0	112.1	V510 Q511 M668 D671 T675 E724	V510-L673 HydrophobicContact CB-CD2 4.41Å; Q511-L673 HydrophobicContact CB-CD1 4.01Å; Q511-L673 VanDerWaalsContact CD-CD1 3.48Å; Q511-L673 HydrophobicContact CG-CD1 3.77Å; M668-L673 HydrophobicContact CB-CB 4.34Å; M668-L673 HydrophobicContact CB-CD1 4.21Å; M668-L673 HydrophobicContact CG-CD1 4.23Å; M668-L673 VanDerWaalsContact O-CB 3.24Å; M668-L673 WeakPolarHBondContact O-CB 3.21Å; M668-L673 WeakPolarHBondContact O-CG 3.46Å; M668-L673 PolarHBondContact O-N 3.43Å; D671-L673 HydrophobicContact CB-CG 4.24Å; L673-T675 PolarHBondContact O-N 2.89Å; L673-E724 HydrophobicContact CD2-CB 3.64Å; L673-E724 HydrophobicContact CD2-CG 3.88Å
674	R	87.4	Confident	89.5	Confident	120 Å²	120	29.5 Å²	29.5	45%	0.453	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	109.3	169.5	180	178.2	-63.4	175.5	2.4	109.5	M507 T570 I676 I723	M507-R674 HydrophobicContact CE-CB 4.35Å; T570-R674 PolarHBondContact OG1-NH1 3.28Å; R674-I676 HydrophobicContact CG-CD1 4.27Å; R674-I723 HydrophobicContact CB-CB 4.4Å; R674-I723 PolarHBondContact N-O 3.21Å; R674-I723 PolarHBondContact O-N 2.93Å
675	T	92.3	Very high	89	Confident	17 Å²	17	30.4 Å²	30.4	10%	0.104	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	118.5	-178.4	51.5	0	0	0	0	112.4	S632 I665 M668 L673 V721	S632-T675 PolarHBondContact N-O 3.1Å; S632-T675 VanDerWaalsContact OG-CB 3.26Å; S632-T675 WeakPolarHBondContact OG-CB 3.45Å; S632-T675 PolarHBondContact OG-OG1 3.42Å; I665-T675 HydrophobicContact CG2-CG2 4.22Å; M668-T675 HydrophobicContact CB-CG2 3.42Å; M668-T675 VanDerWaalsContact CB-CG2 3.42Å; M668-T675 HydrophobicContact CG-CG2 4.17Å; M668-T675 HydrophobicContact SD-CG2 3.71Å; L673-T675 PolarHBondContact O-N 2.89Å; T675-V721 WeakPolarHBondContact CA-O 3.32Å
676	I	94.3	Very high	88.4	Confident	20 Å²	20	32.8 Å²	32.8	10%	0.103	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	122.9	176	-58.7	-61.1	0	0	0	109.2	T570 K629 G630 R674 I678 I720 V721 I723	T570-I676 HydrophobicContact CG2-CD1 4.2Å; T570-I676 HydrophobicContact CG2-CG1 4.17Å; K629-I676 HydrophobicContact CB-CG2 4.5Å; G630-I676 WeakPolarHBondContact O-CA 3.41Å; R674-I676 HydrophobicContact CG-CD1 4.27Å; I676-I678 HydrophobicContact CG2-CD1 4.48Å; I676-I678 HydrophobicContact CG2-CG1 4.19Å; I676-I720 WeakPolarHBondContact O-CA 3.28Å; I676-V721 HydrophobicContact CB-CG2 4Å; I676-V721 PolarHBondContact N-O 3.46Å; I676-V721 PolarHBondContact O-N 3.37Å; I676-I723 HydrophobicContact CB-CD1 4.41Å; I676-I723 HydrophobicContact CG1-CD1 3.67Å
677	G	95.2	Very high	87.9	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	136.3	170.5	0	0	0	0	0	110.5	K629 G630	K629-G677 WeakPolarHBondContact CA-O 3.14Å; G630-G677 PolarHBondContact N-O 3.02Å; G630-G677 VanDerWaalsContact N-O 3.17Å; G630-G677 PolarHBondContact O-N 2.95Å
678	I	95.9	Very high	87.4	Confident	5 Å²	5	29.7 Å²	29.7	3%	0.026	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	126.4	179	-69.5	162.4	0	0	0	108.7	F539 V543 L574 K629 I676 I718 G719 V721	F539-I678 HydrophobicContact CD2-CD1 4.4Å; F539-I678 HydrophobicContact CD2-CG2 4.34Å; F539-I678 HydrophobicContact CE2-CD1 3.57Å; F539-I678 HydrophobicContact CZ-CD1 4.26Å; V543-I678 HydrophobicContact CG2-CD1 3.84Å; L574-I678 HydrophobicContact CD1-CD1 4.45Å; L574-I678 HydrophobicContact CD2-CD1 4.12Å; K629-I678 HydrophobicContact CB-CG1 4.15Å; I676-I678 HydrophobicContact CG2-CD1 4.48Å; I676-I678 HydrophobicContact CG2-CG1 4.19Å; I678-I718 HydrophobicContact CG2-CB 4.5Å; I678-I718 HydrophobicContact CG2-CD1 4.26Å; I678-I718 WeakPolarHBondContact O-CB 3.25Å; I678-I718 PolarHBondContact O-N 2.89Å; I678-G719 PolarHBondContact N-O 3.16Å; I678-G719 PolarHBondContact O-N 3.2Å; I678-V721 HydrophobicContact CD1-CG2 4.35Å
679	A	96	Very high	86.9	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	164.4	-171.3	0	0	0	0	0	111.9	T628 V635 L715 T716	T628-A679 PolarHBondContact N-O 2.78Å; T628-A679 PolarHBondContact O-N 2.9Å; V635-A679 HydrophobicContact CG1-CB 3.69Å; A679-L715 HydrophobicContact CB-CB 4.01Å; A679-L715 HydrophobicContact CB-CD1 4.15Å; A679-T716 CarbonylContact C-O 3.28Å; A679-T716 WeakPolarHBondContact CA-O 3.25Å; A679-T716 VanDerWaalsContact CB-O 3.3Å; A679-T716 WeakPolarHBondContact CB-O 3.21Å
680	Y	95.3	Very high	86.7	Confident	15 Å²	15	32.9 Å²	32.9	6%	0.059	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	163.9	176.6	78.9	-72.1	0	0	0	113.3	R538 T625 V626 L643 S682 N693 T716 I718	R538-Y680 VanDerWaalsContact NH1-CE2 3.33Å; T625-Y680 HydrophobicContact CG2-CD2 4.48Å; V626-Y680 CarbonylContact O-C 3.6Å; V626-Y680 WeakPolarHBondContact O-CA 3.31Å; V626-Y680 WeakPolarHBondContact O-CB 3.47Å; L643-Y680 HydrophobicContact CD1-CE1 4.24Å; L643-Y680 HydrophobicContact CD2-CE1 4.37Å; L643-Y680 HydrophobicContact CG-CE1 4.47Å; Y680-S682 WeakPolarHBondContact CE2-OG 3.29Å; Y680-N693 PolarHBondContact OH-ND2 2.8Å; Y680-N693 VanDerWaalsContact OH-ND2 3.14Å; Y680-T716 HydrophobicContact CD1-CG2 4.28Å; Y680-T716 HydrophobicContact CE1-CG2 3.59Å; Y680-T716 PolarHBondContact N-O 3.46Å; Y680-T716 PolarHBondContact O-N 3.29Å; Y680-I718 HydrophobicContact CD1-CD1 3.73Å; Y680-I718 HydrophobicContact CD1-CG1 3.54Å; Y680-I718 HydrophobicContact CE1-CG1 4.09Å; Y680-I718 HydrophobicContact CG-CD1 4.32Å
681	K	93.9	Very high	86.7	Confident	9 Å²	9	32.7 Å²	32.7	4%	0.039	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	133.2	170.1	-168.1	179	-166.6	166.8	0	108.4	T625 V626 Y683 I710 I711 S713 L715	T625-K681 WeakPolarHBondContact CA-O 3.28Å; V626-K681 HydrophobicContact CB-CB 4.23Å; V626-K681 HydrophobicContact CG2-CB 4.47Å; V626-K681 PolarHBondContact N-O 3.12Å; V626-K681 PolarHBondContact O-N 2.93Å; K681-Y683 HydrophobicContact CD-CE2 3.98Å; K681-Y683 WeakPolarHBondContact CE-OH 3.17Å; K681-Y683 HydrophobicContact CG-CE2 4.11Å; K681-I710 PolarHBondContact NZ-O 2.93Å; K681-I711 WeakPolarHBondContact CD-O 3.27Å; K681-S713 WeakPolarHBondContact CD-O 3.42Å; K681-S713 VanDerWaalsContact CE-O 3.3Å; K681-S713 WeakPolarHBondContact CE-O 3.5Å; K681-S713 PolarHBondContact NZ-O 2.8Å; K681-S713 PolarHBondContact NZ-OG 3.45Å; K681-L715 HydrophobicContact CB-CD2 3.95Å; K681-L715 HydrophobicContact CD-CD2 4.44Å
682	S	91.5	Very high	86.8	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	138.6	176.8	-50.2	0	0	0	0	110.7	R538 Y624 Y680 V695	R538-S682 PolarHBondContact NH1-OG 2.76Å; R538-S682 VanDerWaalsContact NH1-OG 3.07Å; Y624-S682 WeakPolarHBondContact O-CA 3.45Å; Y680-S682 WeakPolarHBondContact CE2-OG 3.29Å; S682-V695 PolarHBondContact O-N 3.08Å
683	Y	89.4	Confident	87.2	Confident	15 Å²	15	34.8 Å²	34.8	6%	0.059	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	116.6	166.6	-60.3	-103.4	0	0	0	107.6	G623 Y624 V626 K681 V695 P703 I711	G623-Y683 CarbonylContact C-O 3.54Å; G623-Y683 WeakPolarHBondContact CA-O 3.31Å; Y624-Y683 PolarHBondContact N-O 3.2Å; Y624-Y683 PolarHBondContact O-N 2.79Å; V626-Y683 HydrophobicContact CG2-CD2 4.45Å; V626-Y683 HydrophobicContact CG2-CE2 3.93Å; K681-Y683 HydrophobicContact CD-CE2 3.98Å; K681-Y683 WeakPolarHBondContact CE-OH 3.17Å; K681-Y683 HydrophobicContact CG-CE2 4.11Å; Y683-V695 CarbonylContact C-O 3.59Å; Y683-V695 VanDerWaalsContact CA-O 3.31Å; Y683-V695 WeakPolarHBondContact CA-O 3.48Å; Y683-V695 HydrophobicContact CD1-CB 3.59Å; Y683-V695 HydrophobicContact CD1-CG1 3.68Å; Y683-V695 HydrophobicContact CD1-CG2 4.21Å; Y683-V695 HydrophobicContact CE1-CB 3.91Å; Y683-V695 HydrophobicContact CE1-CG1 3.85Å; Y683-V695 HydrophobicContact CE1-CG2 4.07Å; Y683-V695 HydrophobicContact CG-CB 4.21Å; Y683-P703 HydrophobicContact CD1-CB 4.46Å; Y683-P703 HydrophobicContact CD1-CG 3.71Å; Y683-P703 HydrophobicContact CD2-CG 4.23Å; Y683-P703 HydrophobicContact CE1-CB 4.22Å; Y683-P703 HydrophobicContact CE1-CG 3.95Å; Y683-P703 HydrophobicContact CE2-CG 4.46Å; Y683-P703 HydrophobicContact CG-CG 3.87Å; Y683-I711 HydrophobicContact CE2-CD1 4.48Å
684	I	86.8	Confident	87.2	Confident	5 Å²	5	35 Å²	35	3%	0.026	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	146.6	-168.2	-58.9	-173.2	0	0	0	110.6	R621 L690 E694 V695 L697	R621-I684 HydrophobicContact CB-CD1 4.45Å; R621-I684 HydrophobicContact CB-CG2 4.44Å; R621-I684 VanDerWaalsContact NH1-CD1 3.31Å; I684-L690 HydrophobicContact CB-CD2 3.95Å; I684-E694 WeakPolarHBondContact CD1-OE1 3.32Å; I684-V695 PolarHBondContact N-O 2.91Å; I684-L697 PolarHBondContact O-N 3.48Å
685	D	80.5	Confident	87.1	Confident	31 Å²	31	31.8 Å²	31.8	17%	0.166	20%	0.197	C	C	.	.			trans	-59.7	121.4	172.8	-175.2	-33.2	0	0	0	109.1	P622 A687 V688 R699	P622-D685 PolarHBondContact O-N 3.07Å; D685-A687 PolarHBondContact O-N 3.11Å; D685-A687 WeakPolarHBondContact OD1-CB 3.49Å; D685-A687 PolarHBondContact OD1-N 3.38Å; D685-V688 PolarHBondContact O-N 3.43Å; D685-R699 IonicContact OD2-CZ 2.54Å; D685-R699 IonicContact OD2-NE 3.74Å; D685-R699 PolarHBondContact OD2-NE 3.14Å; D685-R699 IonicContact OD2-NH2 2.74Å
686	P	78.5	Confident	86.7	Confident	60 Å²	60	34.4 Å²	34.4	39%	0.39	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-58.9	-16.9	-177.3	23.4	-34.2	0	0	0	114	V688 G689 L690 P696 L697	P686-V688 PolarHBondContact O-N 3.13Å; P686-G689 PolarHBondContact O-N 3.46Å; P686-L690 HydrophobicContact CB-CD1 4Å; P686-P696 HydrophobicContact CB-CB 4.42Å; P686-L697 VanDerWaalsContact CD-O 3.26Å; P686-L697 WeakPolarHBondContact CD-O 3.37Å
687	A	77.2	Confident	85.9	Confident	77 Å²	77	34.8 Å²	34.8	64%	0.636	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-61.3	-18.4	175.8	0	0	0	0	0	114.6	D685	D685-A687 PolarHBondContact O-N 3.11Å; D685-A687 WeakPolarHBondContact OD1-CB 3.49Å; D685-A687 PolarHBondContact OD1-N 3.38Å
688	V	77.3	Confident	84.8	Confident	65 Å²	65	39.4 Å²	39.4	39%	0.394	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-97.9	1	-178	-157.7	0	0	0	0	112.7	D620 R621 D685 P686	D620-V688 WeakPolarHBondContact O-CG1 3.4Å; R621-V688 HydrophobicContact CG-CG1 4.02Å; D685-V688 PolarHBondContact O-N 3.43Å; P686-V688 PolarHBondContact O-N 3.13Å
689	G	78.3	Confident	83.1	Confident	40 Å²	40	48.9 Å²	48.9	41%	0.412	28%	0.276	S	S	.	.			trans	76.7	144.2	-170.5	0	0	0	0	0	112.3	R621 P686	R621-G689 PolarHBondContact NH2-O 2.9Å; P686-G689 PolarHBondContact O-N 3.46Å
690	L	80.1	Confident	81.6	Confident	66 Å²	66	53 Å²	53	35%	0.346	32%	0.318	S	S	.	.			trans	-119.8	137.5	-173	-69	162.7	0	0	0	110.4	I684 P686 E694 P696	I684-L690 HydrophobicContact CB-CD2 3.95Å; P686-L690 HydrophobicContact CB-CD1 4Å; L690-E694 HydrophobicContact CD2-CB 3.84Å; L690-P696 HydrophobicContact CD1-CB 3.75Å; L690-P696 HydrophobicContact CD1-CG 4.5Å
691	F	81.8	Confident	80.4	Confident	69 Å²	69	57.8 Å²	57.8	30%	0.303	34%	0.341	S	S	.	.			trans	-77.6	157.6	164.3	-69.3	-80.5	0	0	0	110.5	P649 N693 E694	P649-F691 HydrophobicContact CG-CB 4.22Å; F691-N693 WeakPolarHBondContact CB-OD1 3.44Å; F691-N693 PolarHBondContact O-N 3.49Å; F691-E694 HydrophobicContact CB-CG 4.03Å; F691-E694 WeakPolarHBondContact CD2-OE2 3.48Å; F691-E694 PolarHBondContact N-OE2 3.02Å; F691-E694 PolarHBondContact O-N 3.49Å
692	P	84.1	Confident	79.4	Confident	98 Å²	98	61.5 Å²	61.5	64%	0.636	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-18.3	-176.4	-30.1	35.6	0	0	0	116.9	F641 P649	F641-P692 HydrophobicContact CE1-CB 4.17Å; F641-P692 WeakPolarHBondContact CZ-O 3.38Å; P649-P692 HydrophobicContact CG-CG 4.43Å
693	N	87.3	Confident	78.7	Confident	9 Å²	9	62.3 Å²	62.3	5%	0.048	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	8.4	-178.5	67.4	-35.5	0	0	0	114.2	F641 P649 Y680 F691 T716	F641-N693 HydrophobicContact CB-CB 4.12Å; F641-N693 HydrophobicContact CD1-CB 3.99Å; F641-N693 HydrophobicContact CD2-CB 3.58Å; F641-N693 HydrophobicContact CE1-CB 4.29Å; F641-N693 HydrophobicContact CE2-CB 3.92Å; F641-N693 HydrophobicContact CG-CB 3.63Å; F641-N693 HydrophobicContact CZ-CB 4.26Å; P649-N693 HydrophobicContact CB-CB 3.86Å; P649-N693 VanDerWaalsContact CB-CG 3.48Å; P649-N693 HydrophobicContact CG-CB 4.34Å; P649-N693 WeakPolarHBondContact CG-OD1 3.47Å; Y680-N693 PolarHBondContact OH-ND2 2.8Å; Y680-N693 VanDerWaalsContact OH-ND2 3.14Å; F691-N693 WeakPolarHBondContact CB-OD1 3.44Å; F691-N693 PolarHBondContact O-N 3.49Å; N693-T716 WeakPolarHBondContact CB-OG1 3.41Å; N693-T716 PolarHBondContact ND2-OG1 2.76Å
694	E	87.4	Confident	78.3	Confident	15 Å²	15	66.3 Å²	66.3	7%	0.07	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	134	-175.3	-58.1	-176.2	136.3	0	0	111.4	R621 I684 L690 F691	R621-E694 IonicContact CZ-OE1 3.04Å; R621-E694 IonicContact CZ-OE2 2.66Å; R621-E694 IonicContact NH1-OE1 2.61Å; R621-E694 PolarHBondContact NH1-OE1 3.37Å; R621-E694 IonicContact NH1-OE2 3.27Å; R621-E694 PolarHBondContact NH1-OE2 2.82Å; R621-E694 IonicContact NH2-OE1 2.67Å; R621-E694 IonicContact NH2-OE2 3.96Å; R621-E694 PolarHBondContact NH2-OE2 2.72Å; I684-E694 WeakPolarHBondContact CD1-OE1 3.32Å; L690-E694 HydrophobicContact CD2-CB 3.84Å; F691-E694 HydrophobicContact CB-CG 4.03Å; F691-E694 WeakPolarHBondContact CD2-OE2 3.48Å; F691-E694 PolarHBondContact N-OE2 3.02Å; F691-E694 PolarHBondContact O-N 3.49Å
695	V	85.9	Confident	78.1	Confident	52 Å²	52	67.3 Å²	67.3	32%	0.315	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	127.6	-176.9	-175.8	0	0	0	0	109.5	S682 Y683 I684 L697	S682-V695 PolarHBondContact O-N 3.08Å; Y683-V695 CarbonylContact C-O 3.59Å; Y683-V695 VanDerWaalsContact CA-O 3.31Å; Y683-V695 WeakPolarHBondContact CA-O 3.48Å; Y683-V695 HydrophobicContact CD1-CB 3.59Å; Y683-V695 HydrophobicContact CD1-CG1 3.68Å; Y683-V695 HydrophobicContact CD1-CG2 4.21Å; Y683-V695 HydrophobicContact CE1-CB 3.91Å; Y683-V695 HydrophobicContact CE1-CG1 3.85Å; Y683-V695 HydrophobicContact CE1-CG2 4.07Å; Y683-V695 HydrophobicContact CG-CB 4.21Å; I684-V695 PolarHBondContact N-O 2.91Å; V695-L697 PolarHBondContact O-N 2.99Å
696	P	83	Confident	78.1	Confident	72 Å²	72	72 Å²	72	47%	0.468	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	125.2	175.6	25.1	-33.1	0	0	0	110.9	P686 L690	P686-P696 HydrophobicContact CB-CB 4.42Å; L690-P696 HydrophobicContact CD1-CB 3.75Å; L690-P696 HydrophobicContact CD1-CG 4.5Å
697	L	78.2	Confident	78.4	Confident	28 Å²	28	72 Å²	72	15%	0.147	42%	0.419	C	S	.	.			trans	-99.8	110.1	174.3	-166.1	77.5	0	0	0	110.5	Y624 I684 P686 V695 Q701 P703	Y624-L697 HydrophobicContact CD2-CD2 3.92Å; Y624-L697 HydrophobicContact CE2-CD2 3.92Å; I684-L697 PolarHBondContact O-N 3.48Å; P686-L697 VanDerWaalsContact CD-O 3.26Å; P686-L697 WeakPolarHBondContact CD-O 3.37Å; V695-L697 PolarHBondContact O-N 2.99Å; L697-Q701 WeakPolarHBondContact CD1-O 3.45Å; L697-P703 HydrophobicContact CD1-CG 4.06Å
698	N	71.9	Confident	78.6	Confident	96 Å²	96	70.2 Å²	70.2	51%	0.513	40%	0.397	S	S	.	.			trans	-66.2	139.2	173.7	-60.7	-54.5	0	0	0	110.5	G700 Q701	N698-G700 PolarHBondContact O-N 3.09Å; N698-Q701 HydrophobicContact CB-CG 4.33Å; N698-Q701 PolarHBondContact ND2-OE1 3.23Å; N698-Q701 PolarHBondContact O-N 3.37Å
699	R	61.5	Low	78.9	Confident	205 Å²	205	72.3 Å²	72.3	77%	0.774	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	122.5	-178.8	-72.1	-175.2	172.4	-176.4	-0.8	111.9	D685	D685-R699 IonicContact OD2-CZ 2.54Å; D685-R699 IonicContact OD2-NE 3.74Å; D685-R699 PolarHBondContact OD2-NE 3.14Å; D685-R699 IonicContact OD2-NH2 2.74Å
700	G	63.1	Low	79.2	Confident	86 Å²	86	75.2 Å²	75.2	89%	0.887	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.8	-12	-179.6	0	0	0	0	0	115	N698	N698-G700 PolarHBondContact O-N 3.09Å
701	Q	70.6	Confident	79.6	Confident	116 Å²	116	72 Å²	72	54%	0.542	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-83.5	135.1	168.1	-68.3	-173	-42.8	0	0	110.1	L697 N698	L697-Q701 WeakPolarHBondContact CD1-O 3.45Å; N698-Q701 HydrophobicContact CB-CG 4.33Å; N698-Q701 PolarHBondContact ND2-OE1 3.23Å; N698-Q701 PolarHBondContact O-N 3.37Å
702	T	73.1	Confident	79.8	Confident	87 Å²	87	68.8 Å²	68.8	53%	0.534	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-100.5	147.9	157.9	52.1	0	0	0	0	108.6	Y624	Y624-T702 HydrophobicContact CE2-CG2 4.45Å; Y624-T702 WeakPolarHBondContact OH-CG2 3.49Å
703	P	77	Confident	80	Confident	17 Å²	17	65.8 Å²	65.8	11%	0.11	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-55	150.6	161.8	-20.6	33.9	0	0	0	110.2	Y683 L697 F705 I711	Y683-P703 HydrophobicContact CD1-CB 4.46Å; Y683-P703 HydrophobicContact CD1-CG 3.71Å; Y683-P703 HydrophobicContact CD2-CG 4.23Å; Y683-P703 HydrophobicContact CE1-CB 4.22Å; Y683-P703 HydrophobicContact CE1-CG 3.95Å; Y683-P703 HydrophobicContact CE2-CG 4.46Å; Y683-P703 HydrophobicContact CG-CG 3.87Å; L697-P703 HydrophobicContact CD1-CG 4.06Å; P703-F705 HydrophobicContact CB-CD1 4.3Å; P703-F705 HydrophobicContact CB-CE1 3.81Å; P703-F705 HydrophobicContact CB-CZ 4.14Å; P703-F705 HydrophobicContact CG-CE1 3.95Å; P703-F705 HydrophobicContact CG-CZ 3.98Å; P703-F705 WeakPolarHBondContact O-CD2 3.42Å; P703-F705 PolarHBondContact O-N 2.63Å; P703-I711 HydrophobicContact CB-CD1 3.61Å
704	D	81.8	Confident	80.1	Confident	98 Å²	98	69.3 Å²	69.3	52%	0.524	38%	0.38	S	S	.	.			trans	-69.7	112.5	168.1	-168.7	-36.7	0	0	0	108.2	D706 D707 I711	D704-D706 VanDerWaalsContact C-N 3.33Å; D704-D706 WeakPolarHBondContact OD1-CA 3.4Å; D704-D706 WeakPolarHBondContact OD1-CB 3.4Å; D704-D706 PolarHBondContact OD1-N 2.7Å; D704-D707 HydrophobicContact CB-CB 4.47Å; D704-D707 PolarHBondContact OD1-N 2.79Å; D704-D707 VanDerWaalsContact OD1-N 3.12Å; D704-I711 VanDerWaalsContact O-CD1 3.3Å; D704-I711 WeakPolarHBondContact O-CD1 3.48Å; D704-I711 WeakPolarHBondContact O-CG1 3.35Å
705	F	82	Confident	80.5	Confident	27 Å²	27	68.6 Å²	68.6	12%	0.118	38%	0.377	C	S	.	.	S	Bend	trans	-92.2	7.4	-179.4	-60.2	-57.8	0	0	0	113.2	V598 K599 F601 V613 Y624 P703 I711	V598-F705 HydrophobicContact CG1-CD2 3.92Å; V598-F705 HydrophobicContact CG1-CE2 3.78Å; V598-F705 HydrophobicContact CG1-CG 4.49Å; V598-F705 HydrophobicContact CG1-CZ 4.23Å; K599-F705 HydrophobicContact CB-CB 4.45Å; K599-F705 HydrophobicContact CD-CB 4.4Å; K599-F705 WeakPolarHBondContact CD-O 3.49Å; K599-F705 WeakPolarHBondContact CE-O 3.36Å; K599-F705 HydrophobicContact CG-CB 4.45Å; K599-F705 PolarHBondContact NZ-O 3.24Å; F601-F705 WeakPolarHBondContact CZ-O 3.39Å; V613-F705 HydrophobicContact CG1-CD1 4.2Å; V613-F705 HydrophobicContact CG1-CE1 3.71Å; V613-F705 HydrophobicContact CG1-CZ 4.27Å; Y624-F705 HydrophobicContact CD1-CE1 4.28Å; Y624-F705 HydrophobicContact CD1-CE2 4.27Å; Y624-F705 AromaticContact CD1-CZ 3.49Å; Y624-F705 HydrophobicContact CD1-CZ 3.49Å; Y624-F705 VanDerWaalsContact CD1-CZ 3.49Å; Y624-F705 HydrophobicContact CD2-CZ 4.39Å; Y624-F705 AromaticContact CE1-CE2 3.87Å; Y624-F705 HydrophobicContact CE1-CE2 3.87Å; Y624-F705 AromaticContact CE1-CZ 3.54Å; Y624-F705 HydrophobicContact CE1-CZ 3.54Å; Y624-F705 HydrophobicContact CE2-CZ 4.47Å; Y624-F705 AromaticContact CG-CZ 3.94Å; Y624-F705 HydrophobicContact CG-CZ 3.94Å; P703-F705 HydrophobicContact CB-CD1 4.3Å; P703-F705 HydrophobicContact CB-CE1 3.81Å; P703-F705 HydrophobicContact CB-CZ 4.14Å; P703-F705 HydrophobicContact CG-CE1 3.95Å; P703-F705 HydrophobicContact CG-CZ 3.98Å; P703-F705 WeakPolarHBondContact O-CD2 3.42Å; P703-F705 PolarHBondContact O-N 2.63Å; F705-I711 HydrophobicContact CD1-CD1 3.8Å; F705-I711 HydrophobicContact CD1-CG1 4.46Å; F705-I711 HydrophobicContact CE1-CD1 4.11Å
706	D	80.8	Confident	80.9	Confident	128 Å²	128	66.1 Å²	66.1	68%	0.684	36%	0.362	S	S	*	.	S	Bend	trans	-101.7	-28	171.2	-68.6	-47.4	0	0	0	111.7	K599 D704 E708	K599-D706 IonicContact NZ-OD1 2.65Å; K599-D706 PolarHBondContact NZ-OD1 2.88Å; D704-D706 VanDerWaalsContact C-N 3.33Å; D704-D706 WeakPolarHBondContact OD1-CA 3.4Å; D704-D706 WeakPolarHBondContact OD1-CB 3.4Å; D704-D706 PolarHBondContact OD1-N 2.7Å; D706-E708 PolarHBondContact O-N 3.23Å; D706-E708 VanDerWaalsContact O-N 3.13Å
707	D	83.7	Confident	81.5	Confident	62 Å²	62	62.7 Å²	62.7	33%	0.332	34%	0.34	S	S	.	.			trans	-76.3	92	164.6	-167.3	-40	0	0	0	111.7	D704 D709 I710 I711	D704-D707 HydrophobicContact CB-CB 4.47Å; D704-D707 PolarHBondContact OD1-N 2.79Å; D704-D707 VanDerWaalsContact OD1-N 3.12Å; D707-D709 VanDerWaalsContact C-N 3.35Å; D707-D709 PolarHBondContact O-N 3.37Å; D707-D709 PolarHBondContact OD1-N 3.46Å; D707-I710 HydrophobicContact CB-CB 4.42Å; D707-I710 HydrophobicContact CB-CD1 4.37Å; D707-I710 PolarHBondContact OD1-N 2.92Å; D707-I710 VanDerWaalsContact OD2-CD1 3.27Å; D707-I710 WeakPolarHBondContact OD2-CD1 3.37Å; D707-I711 VanDerWaalsContact O-CG1 3.23Å; D707-I711 WeakPolarHBondContact O-CG1 3.27Å; D707-I711 PolarHBondContact O-N 3.23Å
708	E	82.7	Confident	82.2	Confident	39 Å²	39	61.5 Å²	61.5	18%	0.182	33%	0.334	C	S	.	.	H	α-helix	trans	-64.1	-35.2	178	-169.4	-173.7	122.6	0	0	113.3	F601 R607 D706 I711 V712	F601-E708 HydrophobicContact CD1-CB 3.92Å; F601-E708 HydrophobicContact CD1-CG 3.51Å; F601-E708 WeakPolarHBondContact CD1-OE2 3.44Å; F601-E708 HydrophobicContact CD2-CG 4.44Å; F601-E708 HydrophobicContact CE1-CB 3.6Å; F601-E708 HydrophobicContact CE1-CG 3.66Å; F601-E708 HydrophobicContact CG-CG 3.92Å; F601-E708 HydrophobicContact CZ-CB 4.19Å; F601-E708 HydrophobicContact CZ-CG 4.18Å; R607-E708 WeakPolarHBondContact CD-OE1 3.45Å; R607-E708 VanDerWaalsContact CZ-CD 3.44Å; R607-E708 IonicContact CZ-OE1 2.69Å; R607-E708 IonicContact CZ-OE2 2.7Å; R607-E708 IonicContact NE-OE1 3.83Å; R607-E708 PolarHBondContact NE-OE1 3.31Å; R607-E708 IonicContact NH1-OE1 3.14Å; R607-E708 PolarHBondContact NH1-OE1 2.97Å; R607-E708 IonicContact NH1-OE2 3.59Å; R607-E708 PolarHBondContact NH1-OE2 3.43Å; R607-E708 IonicContact NH2-OE1 2.74Å; R607-E708 IonicContact NH2-OE2 2.82Å; R607-E708 PolarHBondContact NH2-OE2 3.3Å; D706-E708 PolarHBondContact O-N 3.23Å; D706-E708 VanDerWaalsContact O-N 3.13Å; E708-I711 PolarHBondContact O-N 3.08Å; E708-V712 HydrophobicContact CG-CG2 3.89Å; E708-V712 WeakPolarHBondContact O-CB 3.42Å; E708-V712 VanDerWaalsContact O-CG2 3.29Å; E708-V712 WeakPolarHBondContact O-CG2 3.45Å; E708-V712 PolarHBondContact O-N 3.3Å
709	D	83.2	Confident	83.2	Confident	108 Å²	108	57.1 Å²	57.1	58%	0.578	31%	0.311	S	S	*	.	H	α-helix	trans	-73.8	-34.4	-172.3	-89.6	-43.2	0	0	0	111.8	K638 D707 S713	K638-D709 IonicContact NZ-OD1 3.81Å; K638-D709 PolarHBondContact NZ-OD1 2.65Å; D707-D709 VanDerWaalsContact C-N 3.35Å; D707-D709 PolarHBondContact O-N 3.37Å; D707-D709 PolarHBondContact OD1-N 3.46Å; D709-S713 WeakPolarHBondContact O-CB 3.48Å; D709-S713 PolarHBondContact O-N 3.48Å
710	I	84.7	Confident	84.8	Confident	101 Å²	101	47.3 Å²	47.3	52%	0.518	27%	0.274	S	S	.	.	H	α-helix	trans	-67.4	-41.1	169	-66.2	177.8	0	0	0	111.4	K681 D707 V712 S713	K681-I710 PolarHBondContact NZ-O 2.93Å; D707-I710 HydrophobicContact CB-CB 4.42Å; D707-I710 HydrophobicContact CB-CD1 4.37Å; D707-I710 PolarHBondContact OD1-N 2.92Å; D707-I710 VanDerWaalsContact OD2-CD1 3.27Å; D707-I710 WeakPolarHBondContact OD2-CD1 3.37Å; I710-V712 VanDerWaalsContact C-N 3.33Å; I710-V712 PolarHBondContact O-N 2.8Å; I710-S713 PolarHBondContact O-OG 2.84Å
711	I	87.3	Confident	86.3	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-67.5	-34.6	-179.8	-69.7	-67.3	0	0	0	112	F601 V613 V626 K681 Y683 P703 D704 F705 D707 E708	F601-I711 HydrophobicContact CE2-CG2 3.88Å; F601-I711 HydrophobicContact CZ-CG2 4.42Å; V613-I711 HydrophobicContact CG2-CG2 4.46Å; V626-I711 HydrophobicContact CG1-CG2 4.01Å; V626-I711 HydrophobicContact CG2-CG2 3.89Å; K681-I711 WeakPolarHBondContact CD-O 3.27Å; Y683-I711 HydrophobicContact CE2-CD1 4.48Å; P703-I711 HydrophobicContact CB-CD1 3.61Å; D704-I711 VanDerWaalsContact O-CD1 3.3Å; D704-I711 WeakPolarHBondContact O-CD1 3.48Å; D704-I711 WeakPolarHBondContact O-CG1 3.35Å; F705-I711 HydrophobicContact CD1-CD1 3.8Å; F705-I711 HydrophobicContact CD1-CG1 4.46Å; F705-I711 HydrophobicContact CE1-CD1 4.11Å; D707-I711 VanDerWaalsContact O-CG1 3.23Å; D707-I711 WeakPolarHBondContact O-CG1 3.27Å; D707-I711 PolarHBondContact O-N 3.23Å; E708-I711 PolarHBondContact O-N 3.08Å
712	V	85.7	Confident	87.3	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.006	21%	0.206	C	C	.	.	H	α-helix	trans	-102.9	3.5	-175.2	-168.3	0	0	0	0	112.5	T628 K638 E708 I710 L715	T628-V712 HydrophobicContact CG2-CG1 4.19Å; K638-V712 HydrophobicContact CD-CB 4.49Å; K638-V712 HydrophobicContact CD-CG1 3.9Å; K638-V712 WeakPolarHBondContact CD-O 3.38Å; E708-V712 HydrophobicContact CG-CG2 3.89Å; E708-V712 WeakPolarHBondContact O-CB 3.42Å; E708-V712 VanDerWaalsContact O-CG2 3.29Å; E708-V712 WeakPolarHBondContact O-CG2 3.45Å; E708-V712 PolarHBondContact O-N 3.3Å; I710-V712 VanDerWaalsContact C-N 3.33Å; I710-V712 PolarHBondContact O-N 2.8Å; V712-L715 HydrophobicContact CG1-CD1 4.09Å; V712-L715 WeakPolarHBondContact O-CG 3.41Å
713	S	88.6	Confident	88.1	Confident	34 Å²	34	33.6 Å²	33.6	24%	0.238	18%	0.181	C	C	.	.	S	Bend	trans	-69.9	167.4	166.6	87.6	0	0	0	0	112.3	K681 D709 I710 L715	K681-S713 WeakPolarHBondContact CD-O 3.42Å; K681-S713 VanDerWaalsContact CE-O 3.3Å; K681-S713 WeakPolarHBondContact CE-O 3.5Å; K681-S713 PolarHBondContact NZ-O 2.8Å; K681-S713 PolarHBondContact NZ-OG 3.45Å; D709-S713 WeakPolarHBondContact O-CB 3.48Å; D709-S713 PolarHBondContact O-N 3.48Å; I710-S713 PolarHBondContact O-OG 2.84Å; S713-L715 VanDerWaalsContact C-N 3.26Å; S713-L715 PolarHBondContact O-N 3.08Å; S713-L715 VanDerWaalsContact O-N 3.08Å
714	D	90.9	Very high	88.7	Confident	83 Å²	83	33.5 Å²	33.5	44%	0.444	18%	0.178	S	C	.	.	S	Bend	trans	50	41.3	162.4	-57.6	-72.2	0	0	0	115.3	K638 S640	K638-D714 PolarHBondContact O-N 2.82Å; S640-D714 PolarHBondContact OG-OD1 3.26Å
715	L	94.1	Very high	88.8	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	162.4	-179.6	-54.5	177.3	0	0	0	111.6	T628 K638 C639 S640 F641 A679 K681 V712 S713	T628-L715 HydrophobicContact CG2-CD1 3.84Å; K638-L715 HydrophobicContact CB-CD1 4.04Å; K638-L715 HydrophobicContact CB-CG 4.44Å; K638-L715 WeakPolarHBondContact O-CB 3.4Å; K638-L715 WeakPolarHBondContact O-CG 3.38Å; K638-L715 PolarHBondContact O-N 3.44Å; C639-L715 CarbonylContact C-O 3.59Å; C639-L715 WeakPolarHBondContact CA-O 3.49Å; C639-L715 HydrophobicContact CB-CB 4.47Å; S640-L715 PolarHBondContact N-O 3.42Å; F641-L715 PolarHBondContact N-O 2.96Å; A679-L715 HydrophobicContact CB-CB 4.01Å; A679-L715 HydrophobicContact CB-CD1 4.15Å; K681-L715 HydrophobicContact CB-CD2 3.95Å; K681-L715 HydrophobicContact CD-CD2 4.44Å; V712-L715 HydrophobicContact CG1-CD1 4.09Å; V712-L715 WeakPolarHBondContact O-CG 3.41Å; S713-L715 VanDerWaalsContact C-N 3.26Å; S713-L715 PolarHBondContact O-N 3.08Å; S713-L715 VanDerWaalsContact O-N 3.08Å
716	T	94.8	Very high	89	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	118.7	168.3	-54.6	0	0	0	0	109.5	F641 L643 A679 Y680 N693 I718	F641-T716 HydrophobicContact CB-CG2 3.96Å; F641-T716 CarbonylContact O-C 3.59Å; F641-T716 WeakPolarHBondContact O-CA 3.42Å; L643-T716 HydrophobicContact CD2-CG2 3.83Å; L643-T716 HydrophobicContact CG-CG2 4.05Å; A679-T716 CarbonylContact C-O 3.28Å; A679-T716 WeakPolarHBondContact CA-O 3.25Å; A679-T716 VanDerWaalsContact CB-O 3.3Å; A679-T716 WeakPolarHBondContact CB-O 3.21Å; Y680-T716 HydrophobicContact CD1-CG2 4.28Å; Y680-T716 HydrophobicContact CE1-CG2 3.59Å; Y680-T716 PolarHBondContact N-O 3.46Å; Y680-T716 PolarHBondContact O-N 3.29Å; N693-T716 WeakPolarHBondContact CB-OG1 3.41Å; N693-T716 PolarHBondContact ND2-OG1 2.76Å; T716-I718 PolarHBondContact O-N 3.26Å
717	C	95.1	Very high	89.4	Confident	1 Å²	1	25 Å²	25	1%	0.007	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	123.8	175.1	-170.3	0	0	0	0	110.4	L636 C639 F641 I642 L643	L636-C717 HydrophobicContact CD2-CB 4.2Å; L636-C717 VanDerWaalsContact CD2-SG 3.57Å; C639-C717 HydrophobicContact CB-CB 4.4Å; F641-C717 PolarHBondContact O-N 3.18Å; I642-C717 HydrophobicContact CB-CB 4.27Å; I642-C717 HydrophobicContact CD1-CB 4.42Å; I642-C717 HydrophobicContact CG1-CB 4.04Å; L643-C717 PolarHBondContact N-O 3.26Å
718	I	94.4	Very high	89.6	Confident	3 Å²	3	23.6 Å²	23.6	2%	0.015	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	-41.6	173.1	-56.1	-179.6	0	0	0	109.7	I535 R538 F539 L643 I678 Y680 T716	I535-I718 HydrophobicContact CG2-CG2 4.18Å; R538-I718 HydrophobicContact CB-CD1 3.97Å; F539-I718 HydrophobicContact CB-CG2 3.96Å; F539-I718 HydrophobicContact CD2-CG2 4.29Å; L643-I718 HydrophobicContact CD1-CG1 4.41Å; L643-I718 HydrophobicContact CD1-CG2 4.35Å; I678-I718 HydrophobicContact CG2-CB 4.5Å; I678-I718 HydrophobicContact CG2-CD1 4.26Å; I678-I718 WeakPolarHBondContact O-CB 3.25Å; I678-I718 PolarHBondContact O-N 2.89Å; Y680-I718 HydrophobicContact CD1-CD1 3.73Å; Y680-I718 HydrophobicContact CD1-CG1 3.54Å; Y680-I718 HydrophobicContact CE1-CG1 4.09Å; Y680-I718 HydrophobicContact CG-CD1 4.32Å; T716-I718 PolarHBondContact O-N 3.26Å
719	G	92.5	Very high	89.8	Confident	3 Å²	3	27.4 Å²	27.4	3%	0.031	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170	178.4	-179.8	0	0	0	0	0	113.3	Y513 I678	Y513-G719 WeakPolarHBondContact O-CA 3.36Å; I678-G719 PolarHBondContact N-O 3.16Å; I678-G719 PolarHBondContact O-N 3.2Å
720	I	94.5	Very high	90.2	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	139.8	-179.8	-56.1	160.5	0	0	0	108.1	C512 Y513 L636 L660 I665 M668 I676	C512-I720 CarbonylContact C-O 3.4Å; C512-I720 WeakPolarHBondContact CA-O 3.42Å; Y513-I720 PolarHBondContact N-O 3.16Å; Y513-I720 PolarHBondContact O-N 2.85Å; Y513-I720 VanDerWaalsContact O-N 3.08Å; L636-I720 HydrophobicContact CD1-CD1 4.25Å; L660-I720 HydrophobicContact CD1-CD1 4.26Å; L660-I720 HydrophobicContact CD2-CD1 3.76Å; L660-I720 HydrophobicContact CG-CD1 3.87Å; I665-I720 HydrophobicContact CD1-CD1 3.9Å; I665-I720 HydrophobicContact CG1-CD1 3.96Å; I665-I720 HydrophobicContact CG1-CG2 4.39Å; M668-I720 HydrophobicContact SD-CG2 4.23Å; I676-I720 WeakPolarHBondContact O-CA 3.28Å
721	V	94	Very high	90.5	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	132.8	175.2	-63.8	0	0	0	0	111.4	V509 C512 F514 F539 L574 F577 T675 I676 I678 I723	V509-V721 HydrophobicContact CG1-CB 4.12Å; V509-V721 HydrophobicContact CG1-CG1 4.32Å; V509-V721 HydrophobicContact CG2-CB 4.36Å; C512-V721 HydrophobicContact CB-CG1 3.94Å; F514-V721 HydrophobicContact CE2-CG1 4.46Å; F514-V721 HydrophobicContact CZ-CG1 4.02Å; F539-V721 HydrophobicContact CE2-CG1 4.4Å; F539-V721 HydrophobicContact CZ-CG1 4.38Å; L574-V721 HydrophobicContact CD2-CG2 3.53Å; F577-V721 HydrophobicContact CE1-CG1 4.37Å; T675-V721 WeakPolarHBondContact CA-O 3.32Å; I676-V721 HydrophobicContact CB-CG2 4Å; I676-V721 PolarHBondContact N-O 3.46Å; I676-V721 PolarHBondContact O-N 3.37Å; I678-V721 HydrophobicContact CD1-CG2 4.35Å; V721-I723 HydrophobicContact CG2-CD1 4.36Å; V721-I723 HydrophobicContact CG2-CG1 4.28Å
722	G	92.6	Very high	90.8	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	117.5	173.8	0	0	0	0	0	110.2	V510 Q511	V510-G722 PolarHBondContact N-O 3.05Å; Q511-G722 PolarHBondContact N-O 3.32Å; Q511-G722 PolarHBondContact O-N 3.14Å
723	I	90.4	Very high	91.2	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	126.3	-174.2	-46.8	178.4	0	0	0	110	M507 T508 V509 T570 A573 L574 R674 I676 V721	M507-I723 HydrophobicContact CB-CG2 3.88Å; M507-I723 HydrophobicContact CE-CB 4.29Å; M507-I723 HydrophobicContact CE-CG2 3.77Å; T508-I723 CarbonylContact O-C 3.59Å; T508-I723 WeakPolarHBondContact O-CA 3.37Å; T508-I723 WeakPolarHBondContact O-CG2 3.49Å; V509-I723 HydrophobicContact CG2-CG1 4.27Å; T570-I723 HydrophobicContact CG2-CD1 3.81Å; A573-I723 HydrophobicContact CB-CD1 4.3Å; A573-I723 HydrophobicContact CB-CG2 3.56Å; L574-I723 HydrophobicContact CD2-CD1 4.01Å; L574-I723 HydrophobicContact CG-CD1 4.42Å; R674-I723 HydrophobicContact CB-CB 4.4Å; R674-I723 PolarHBondContact N-O 3.21Å; R674-I723 PolarHBondContact O-N 2.93Å; I676-I723 HydrophobicContact CB-CD1 4.41Å; I676-I723 HydrophobicContact CG1-CD1 3.67Å; V721-I723 HydrophobicContact CG2-CD1 4.36Å; V721-I723 HydrophobicContact CG2-CG1 4.28Å
724	E	88.2	Confident	91.5	Very high	14 Å²	14	22 Å²	22	7%	0.065	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	161.5	175.4	-150.2	177.8	168	0	0	111.2	M507 T508 V510 L673 K762	M507-E724 CarbonylContact C-O 3.49Å; M507-E724 WeakPolarHBondContact CA-O 3.32Å; T508-E724 PolarHBondContact N-O 2.86Å; T508-E724 PolarHBondContact O-N 2.96Å; V510-E724 HydrophobicContact CG2-CB 3.66Å; L673-E724 HydrophobicContact CD2-CB 3.64Å; L673-E724 HydrophobicContact CD2-CG 3.88Å; E724-K762 IonicContact OE1-NZ 2.79Å; E724-K762 PolarHBondContact OE1-NZ 3.5Å; E724-K762 IonicContact OE2-NZ 2.84Å; E724-K762 PolarHBondContact OE2-NZ 2.93Å
725	D	84.7	Confident	91.6	Very high	11 Å²	11	18.1 Å²	18.1	6%	0.059	11%	0.111	C	C	.	.			trans	-101.8	101.4	158.4	177.1	21.6	0	0	0	107.2	K498 T503 N505 R506 M507	K498-D725 IonicContact NZ-OD2 3.75Å; T503-D725 VanDerWaalsContact CB-CG 3.42Å; T503-D725 WeakPolarHBondContact CB-OD1 3.01Å; T503-D725 WeakPolarHBondContact CB-OD2 3.34Å; T503-D725 VanDerWaalsContact CG2-O 3.28Å; T503-D725 WeakPolarHBondContact CG2-O 3.31Å; T503-D725 VanDerWaalsContact OG1-CG 3.26Å; T503-D725 PolarHBondContact OG1-OD2 2.81Å; N505-D725 VanDerWaalsContact CA-OD1 3.25Å; N505-D725 WeakPolarHBondContact CA-OD1 3.46Å; N505-D725 PolarHBondContact N-OD1 3.13Å; R506-D725 PolarHBondContact N-OD1 3.37Å; M507-D725 HydrophobicContact SD-CB 3.84Å
726	P	86.2	Confident	91.6	Very high	35 Å²	35	25.7 Å²	25.7	23%	0.227	14%	0.14	C	C	.	.	P	Polyproline II helix	trans	-73.9	147.9	-163.8	28.7	-33.3	0	0	0	112.3	T503 T504 R506	T503-P726 CarbonylContact C-O 3.5Å; T503-P726 VanDerWaalsContact CA-O 3.25Å; T503-P726 WeakPolarHBondContact CA-O 3.46Å; T503-P726 WeakPolarHBondContact CB-O 3.36Å; T504-P726 HydrophobicContact CG2-CG 4.46Å; T504-P726 PolarHBondContact N-O 3.01Å; T504-P726 WeakPolarHBondContact OG1-CD 3.36Å; T504-P726 WeakPolarHBondContact OG1-CG 3.37Å; R506-P726 WeakPolarHBondContact O-CD 3.24Å
727	V	89.5	Confident	91.5	Very high	28 Å²	28	29.9 Å²	29.9	17%	0.17	16%	0.158	C	C	.	.	B	Isolated β-bridge	trans	-62.5	137.9	172.8	177	0	0	0	0	110.3	V731 P732 I759 K762	V727-V731 HydrophobicContact CG1-CB 4.11Å; V727-V731 HydrophobicContact CG1-CG1 4.1Å; V727-P732 HydrophobicContact CG1-CG 4.06Å; V727-I759 HydrophobicContact CG2-CG2 3.84Å; V727-K762 HydrophobicContact CG2-CB 4.07Å
728	R	86.8	Confident	91.4	Very high	34 Å²	34	30 Å²	30	13%	0.128	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-65.5	132.4	174.8	-61.9	172.9	174.6	-109.3	7.3	110.1	G500 T501 L502 T503 T504 E730 V731 P732 D875	G500-R728 PolarHBondContact O-NE 3.18Å; G500-R728 PolarHBondContact O-NH2 3.28Å; T501-R728 WeakPolarHBondContact O-CD 3.38Å; L502-R728 PolarHBondContact O-N 3.35Å; T503-R728 PolarHBondContact O-NE 2.85Å; T503-R728 VanDerWaalsContact O-NE 3.09Å; T504-R728 HydrophobicContact CG2-CG 3.98Å; R728-E730 PolarHBondContact O-N 3.19Å; R728-V731 HydrophobicContact CB-CB 4.42Å; R728-V731 HydrophobicContact CB-CG2 3.82Å; R728-V731 WeakPolarHBondContact O-CB 3.18Å; R728-V731 PolarHBondContact O-N 3.46Å; R728-P732 WeakPolarHBondContact O-CD 3.47Å; R728-D875 PolarHBondContact NH1-O 2.99Å; R728-D875 VanDerWaalsContact NH1-O 3.13Å; R728-D875 PolarHBondContact NH2-O 3Å
729	P	88.2	Confident	91.2	Very high	118 Å²	118	32.1 Å²	32.1	77%	0.766	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-25.4	-169	23.1	-33.9	0	0	0	114.7
730	E	90	Very high	91.2	Very high	46 Å²	46	39.6 Å²	39.6	22%	0.215	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-23	178.1	70	-79.2	-169	0	0	114.2	R728 A733 A734 N876 T878	R728-E730 PolarHBondContact O-N 3.19Å; E730-A733 WeakPolarHBondContact O-CB 3.2Å; E730-A733 PolarHBondContact O-N 2.97Å; E730-A733 VanDerWaalsContact O-N 3.1Å; E730-A734 PolarHBondContact O-N 3.21Å; E730-N876 WeakPolarHBondContact CG-OD1 3.41Å; E730-N876 PolarHBondContact OE1-ND2 2.87Å; E730-N876 PolarHBondContact OE1-OD1 3.42Å; E730-T878 HydrophobicContact CB-CG2 3.87Å; E730-T878 HydrophobicContact CG-CG2 3.75Å
731	V	92.5	Very high	91.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-59.4	-46.4	-176.1	160.9	0	0	0	0	112.8	L502 V727 R728 A733 A734 I735 C763 F877	L502-V731 HydrophobicContact CB-CG1 4.48Å; L502-V731 HydrophobicContact CD2-CG1 3.74Å; L502-V731 HydrophobicContact CD2-CG2 4.45Å; V727-V731 HydrophobicContact CG1-CB 4.11Å; V727-V731 HydrophobicContact CG1-CG1 4.1Å; R728-V731 HydrophobicContact CB-CB 4.42Å; R728-V731 HydrophobicContact CB-CG2 3.82Å; R728-V731 WeakPolarHBondContact O-CB 3.18Å; R728-V731 PolarHBondContact O-N 3.46Å; V731-A733 PolarHBondContact O-N 3.41Å; V731-A734 PolarHBondContact O-N 2.92Å; V731-A734 VanDerWaalsContact O-N 3.16Å; V731-I735 HydrophobicContact CG1-CD1 3.54Å; V731-I735 HydrophobicContact CG1-CG1 4.25Å; V731-I735 WeakPolarHBondContact O-CG1 3.11Å; V731-I735 PolarHBondContact O-N 3.49Å; V731-C763 HydrophobicContact CG1-CB 4.37Å; V731-F877 HydrophobicContact CG2-CB 3.71Å; V731-F877 HydrophobicContact CG2-CG 4.35Å
732	P	93.6	Very high	90.9	Very high	33 Å²	33	41.4 Å²	41.4	21%	0.214	22%	0.215	C	C	.	.	H	α-helix	trans	-63.6	-22.8	177	-23.2	34.2	0	0	0	114	V727 R728 R736	V727-P732 HydrophobicContact CG1-CG 4.06Å; R728-P732 WeakPolarHBondContact O-CD 3.47Å; P732-R736 WeakPolarHBondContact O-CG 3.4Å; P732-R736 PolarHBondContact O-NE 3.35Å; P732-R736 PolarHBondContact O-NH2 3.43Å
733	A	94	Very high	90.9	Very high	49 Å²	49	41.5 Å²	41.5	41%	0.405	22%	0.215	S	C	.	.	H	α-helix	trans	-81.5	-42.1	172.5	0	0	0	0	0	111.5	E730 V731 R736 K737	E730-A733 WeakPolarHBondContact O-CB 3.2Å; E730-A733 PolarHBondContact O-N 2.97Å; E730-A733 VanDerWaalsContact O-N 3.1Å; V731-A733 PolarHBondContact O-N 3.41Å; A733-R736 PolarHBondContact O-N 3.15Å; A733-K737 PolarHBondContact O-N 3.13Å; A733-K737 VanDerWaalsContact O-N 3.1Å
734	A	93.5	Very high	91.1	Very high	4 Å²	4	43.8 Å²	43.8	3%	0.033	23%	0.229	C	C	.	.	H	α-helix	trans	-63.2	-44.7	178.2	0	0	0	0	0	112.5	E730 V731 R736 K737 C738 F877 T878 V881	E730-A734 PolarHBondContact O-N 3.21Å; V731-A734 PolarHBondContact O-N 2.92Å; V731-A734 VanDerWaalsContact O-N 3.16Å; A734-R736 VanDerWaalsContact C-N 3.33Å; A734-R736 PolarHBondContact O-N 3.44Å; A734-K737 WeakPolarHBondContact O-CB 3.3Å; A734-K737 PolarHBondContact O-N 2.87Å; A734-K737 VanDerWaalsContact O-N 3.1Å; A734-C738 PolarHBondContact O-N 3.47Å; A734-F877 HydrophobicContact CB-CD1 3.69Å; A734-F877 HydrophobicContact CB-CE1 4.35Å; A734-T878 HydrophobicContact CB-CG2 3.97Å; A734-V881 HydrophobicContact CB-CG2 3.86Å
735	I	94.2	Very high	91.4	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-63.3	-38.2	177.4	-70.4	173.4	0	0	0	111.4	L502 V731 C738 Q739 V745 C763 I765 F877	L502-I735 HydrophobicContact CD2-CD1 4.09Å; V731-I735 HydrophobicContact CG1-CD1 3.54Å; V731-I735 HydrophobicContact CG1-CG1 4.25Å; V731-I735 WeakPolarHBondContact O-CG1 3.11Å; V731-I735 PolarHBondContact O-N 3.49Å; I735-C738 PolarHBondContact O-N 3.48Å; I735-Q739 HydrophobicContact CG2-CG 4.42Å; I735-Q739 WeakPolarHBondContact O-CG 3.42Å; I735-Q739 PolarHBondContact O-N 3.09Å; I735-V745 HydrophobicContact CD1-CG1 4.46Å; I735-V745 HydrophobicContact CG1-CG1 4.48Å; I735-V745 HydrophobicContact CG1-CG2 4.45Å; I735-V745 HydrophobicContact CG2-CG2 4.33Å; I735-C763 HydrophobicContact CD1-CB 3.82Å; I735-I765 HydrophobicContact CD1-CD1 4.07Å; I735-I765 HydrophobicContact CD1-CG1 3.85Å; I735-I765 HydrophobicContact CG2-CG1 4.24Å; I735-F877 HydrophobicContact CG1-CD1 4.34Å; I735-F877 HydrophobicContact CG1-CE1 3.74Å; I735-F877 HydrophobicContact CG1-CZ 4.11Å
736	R	93.3	Very high	91.9	Very high	159 Å²	159	43 Å²	43	60%	0.6	23%	0.225	S	C	*	.	H	α-helix	trans	-63.5	-38.2	172.4	-78.3	-179.7	-71.4	158	-1.7	112.4	P732 A733 A734 R740	P732-R736 WeakPolarHBondContact O-CG 3.4Å; P732-R736 PolarHBondContact O-NE 3.35Å; P732-R736 PolarHBondContact O-NH2 3.43Å; A733-R736 PolarHBondContact O-N 3.15Å; A734-R736 VanDerWaalsContact C-N 3.33Å; A734-R736 PolarHBondContact O-N 3.44Å; R736-R740 WeakPolarHBondContact O-CB 3.2Å; R736-R740 PolarHBondContact O-N 2.74Å
737	K	92.6	Very high	92.3	Very high	88 Å²	88	41.4 Å²	41.4	38%	0.383	22%	0.215	S	C	.	.	H	α-helix	trans	-63.6	-45.3	171.5	-75.3	-166.4	171.6	-171.1	0	111.6	A733 A734 Q739 R740 A741 V881 E951 L954	A733-K737 PolarHBondContact O-N 3.13Å; A733-K737 VanDerWaalsContact O-N 3.1Å; A734-K737 WeakPolarHBondContact O-CB 3.3Å; A734-K737 PolarHBondContact O-N 2.87Å; A734-K737 VanDerWaalsContact O-N 3.1Å; K737-Q739 PolarHBondContact O-N 3.02Å; K737-R740 PolarHBondContact O-N 2.82Å; K737-A741 WeakPolarHBondContact O-CB 3.38Å; K737-A741 PolarHBondContact O-N 3.01Å; K737-V881 HydrophobicContact CB-CG1 4.1Å; K737-V881 HydrophobicContact CD-CG1 4.45Å; K737-E951 IonicContact NZ-OE1 2.83Å; K737-E951 PolarHBondContact NZ-OE1 2.92Å; K737-E951 IonicContact NZ-OE2 3.79Å; K737-E951 PolarHBondContact NZ-OE2 3.49Å; K737-L954 HydrophobicContact CD-CD1 4.39Å
738	C	93.1	Very high	92.4	Very high	3 Å²	3	40.1 Å²	40.1	2%	0.02	21%	0.207	C	C	.	.	H	α-helix	trans	-58.3	-47.9	175.1	-71.9	0	0	0	0	112.7	A734 I735 R740 A741 G742 I743 V745	A734-C738 PolarHBondContact O-N 3.47Å; I735-C738 PolarHBondContact O-N 3.48Å; C738-R740 PolarHBondContact O-N 3.07Å; C738-A741 CarbonylContact O-C 3.5Å; C738-A741 WeakPolarHBondContact O-CA 3.39Å; C738-A741 WeakPolarHBondContact O-CB 3.32Å; C738-A741 PolarHBondContact O-N 3.07Å; C738-A741 VanDerWaalsContact O-N 3.13Å; C738-G742 PolarHBondContact O-N 3.12Å; C738-I743 HydrophobicContact CB-CB 4.25Å; C738-I743 WeakPolarHBondContact O-CB 3.43Å; C738-I743 PolarHBondContact O-N 3.22Å; C738-V745 HydrophobicContact CB-CG2 3.95Å
739	Q	91.4	Very high	92.5	Very high	48 Å²	48	38.6 Å²	38.6	22%	0.224	20%	0.202	C	C	.	.	H	α-helix	trans	-63.1	-40.7	179.6	-71.7	175.3	8.9	0	0	112.1	I735 K737 A741 G742 G764	I735-Q739 HydrophobicContact CG2-CG 4.42Å; I735-Q739 WeakPolarHBondContact O-CG 3.42Å; I735-Q739 PolarHBondContact O-N 3.09Å; K737-Q739 PolarHBondContact O-N 3.02Å; Q739-A741 VanDerWaalsContact C-N 3.27Å; Q739-A741 PolarHBondContact O-N 3.47Å; Q739-G742 PolarHBondContact O-N 3.37Å; Q739-G742 VanDerWaalsContact O-N 3.11Å; Q739-G764 PolarHBondContact NE2-O 3.1Å
740	R	91.8	Very high	92.2	Very high	161 Å²	161	35.7 Å²	35.7	61%	0.608	19%	0.193	S	C	*	.	H	α-helix	trans	-65.2	-31.3	174.5	-170.9	173.5	-178.5	-131.5	-8	112.5	R736 K737 C738 G742 E955	R736-R740 WeakPolarHBondContact O-CB 3.2Å; R736-R740 PolarHBondContact O-N 2.74Å; K737-R740 PolarHBondContact O-N 2.82Å; C738-R740 PolarHBondContact O-N 3.07Å; R740-G742 PolarHBondContact O-N 3.05Å; R740-E955 IonicContact CZ-OE1 3.92Å; R740-E955 IonicContact NH1-OE1 2.68Å; R740-E955 PolarHBondContact NH1-OE1 3.27Å; R740-E955 IonicContact NH2-OE1 2.75Å; R740-E955 PolarHBondContact NH2-OE1 3.36Å; R740-E955 IonicContact NH2-OE2 2.66Å
741	A	91.7	Very high	91.8	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.008	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	7.2	173.4	0	0	0	0	0	114.3	K737 C738 Q739 I743 R888 L954 R956 P958	K737-A741 WeakPolarHBondContact O-CB 3.38Å; K737-A741 PolarHBondContact O-N 3.01Å; C738-A741 CarbonylContact O-C 3.5Å; C738-A741 WeakPolarHBondContact O-CA 3.39Å; C738-A741 WeakPolarHBondContact O-CB 3.32Å; C738-A741 PolarHBondContact O-N 3.07Å; C738-A741 VanDerWaalsContact O-N 3.13Å; Q739-A741 VanDerWaalsContact C-N 3.27Å; Q739-A741 PolarHBondContact O-N 3.47Å; A741-I743 HydrophobicContact CB-CD1 4.46Å; A741-I743 HydrophobicContact CB-CG1 4.32Å; A741-R888 PolarHBondContact O-NH2 3.01Å; A741-L954 WeakPolarHBondContact CA-O 3.47Å; A741-L954 HydrophobicContact CB-CB 4.37Å; A741-L954 HydrophobicContact CB-CD2 4.34Å; A741-L954 WeakPolarHBondContact CB-O 3.3Å; A741-L954 PolarHBondContact N-O 3.37Å; A741-R956 CarbonylContact C-O 3.58Å; A741-R956 VanDerWaalsContact O-O 3.06Å; A741-P958 WeakPolarHBondContact O-CD 3.03Å
742	G	90.5	Very high	91.3	Very high	37 Å²	37	39 Å²	39	38%	0.381	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	21.3	-178.4	0	0	0	0	0	114.8	C738 Q739 R740	C738-G742 PolarHBondContact O-N 3.12Å; Q739-G742 PolarHBondContact O-N 3.37Å; Q739-G742 VanDerWaalsContact O-N 3.11Å; R740-G742 PolarHBondContact O-N 3.05Å
743	I	93.5	Very high	91	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.01	21%	0.207	C	C	.	.			trans	-106.1	123.2	-175.7	-50.8	-174.9	0	0	0	111	A491 I494 C738 A741 V745 V884	A491-I743 WeakPolarHBondContact O-CG1 3.34Å; I494-I743 HydrophobicContact CD1-CG2 3.73Å; I494-I743 HydrophobicContact CG1-CG2 3.76Å; C738-I743 HydrophobicContact CB-CB 4.25Å; C738-I743 WeakPolarHBondContact O-CB 3.43Å; C738-I743 PolarHBondContact O-N 3.22Å; A741-I743 HydrophobicContact CB-CD1 4.46Å; A741-I743 HydrophobicContact CB-CG1 4.32Å; I743-V745 PolarHBondContact O-N 3.45Å; I743-V884 HydrophobicContact CD1-CB 4.43Å; I743-V884 HydrophobicContact CD1-CG1 3.72Å; I743-V884 HydrophobicContact CD1-CG2 3.82Å
744	T	92.8	Very high	90.7	Very high	48 Å²	48	38.9 Å²	38.9	29%	0.294	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	98.6	-177	54.2	0	0	0	0	111.9	T492 A493 I494 R746	T492-T744 PolarHBondContact O-N 3.49Å; T492-T744 PolarHBondContact O-OG1 2.89Å; A493-T744 WeakPolarHBondContact CA-O 3.35Å; I494-T744 PolarHBondContact N-O 3.21Å; T744-R746 PolarHBondContact O-NH1 2.84Å; T744-R746 PolarHBondContact OG1-NH1 3.4Å
745	V	94.9	Very high	90.2	Very high	4 Å²	4	40.1 Å²	40.1	2%	0.024	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	130.4	173.9	-173.9	0	0	0	0	109.9	I494 I735 C738 I743 I765 F877	I494-V745 HydrophobicContact CB-CG2 4.49Å; I494-V745 CarbonylContact O-C 3.51Å; I494-V745 WeakPolarHBondContact O-CA 3.44Å; I735-V745 HydrophobicContact CD1-CG1 4.46Å; I735-V745 HydrophobicContact CG1-CG1 4.48Å; I735-V745 HydrophobicContact CG1-CG2 4.45Å; I735-V745 HydrophobicContact CG2-CG2 4.33Å; C738-V745 HydrophobicContact CB-CG2 3.95Å; I743-V745 PolarHBondContact O-N 3.45Å; V745-I765 HydrophobicContact CG1-CD1 3.99Å; V745-I765 HydrophobicContact CG1-CG1 4.18Å; V745-F877 HydrophobicContact CG1-CZ 4.26Å; V745-F877 HydrophobicContact CG2-CZ 4.38Å
746	R	95	Very high	89.9	Confident	5 Å²	5	40.1 Å²	40.1	2%	0.019	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	137.2	174.3	-65.4	178.3	175	72	-1.6	109	I494 S496 T744 W801 L804 R805	I494-R746 PolarHBondContact O-N 3.29Å; S496-R746 PolarHBondContact N-O 3.34Å; T744-R746 PolarHBondContact O-NH1 2.84Å; T744-R746 PolarHBondContact OG1-NH1 3.4Å; R746-W801 PolarHBondContact NE-O 2.84Å; R746-W801 PolarHBondContact NH2-O 2.7Å; R746-L804 WeakPolarHBondContact CD-O 3.3Å; R746-L804 PolarHBondContact NE-O 3.48Å; R746-L804 VanDerWaalsContact NE-O 3.07Å; R746-R805 WeakPolarHBondContact CA-O 3.45Å
747	M	94.9	Very high	89.8	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	130.7	172	-176.7	-171	-71.3	0	0	109.6	K498 L502 T749 A756 I759 A760 I765 R805 V806 L807	K498-M747 HydrophobicContact CB-CE 4.39Å; K498-M747 HydrophobicContact CB-CG 4.03Å; K498-M747 HydrophobicContact CB-SD 3.98Å; K498-M747 HydrophobicContact CG-CE 3.92Å; K498-M747 HydrophobicContact CG-SD 3.86Å; L502-M747 HydrophobicContact CD1-CE 3.9Å; L502-M747 HydrophobicContact CD1-CG 4.46Å; M747-T749 HydrophobicContact CG-CG2 4.3Å; M747-T749 HydrophobicContact SD-CG2 4.15Å; M747-A756 HydrophobicContact SD-CB 4.08Å; M747-I759 HydrophobicContact CE-CB 4.22Å; M747-I759 HydrophobicContact CE-CG2 3.77Å; M747-A760 HydrophobicContact CE-CB 3.78Å; M747-A760 HydrophobicContact SD-CB 4.35Å; M747-I765 HydrophobicContact CB-CD1 4.24Å; M747-I765 HydrophobicContact CE-CD1 4.33Å; M747-R805 PolarHBondContact N-O 2.97Å; M747-V806 HydrophobicContact CB-CG1 4.47Å; M747-V806 HydrophobicContact CB-CG2 4.32Å; M747-V806 CarbonylContact O-C 3.5Å; M747-V806 WeakPolarHBondContact O-CA 3.26Å; M747-V806 HydrophobicContact SD-CG1 4.29Å; M747-L807 PolarHBondContact O-N 3.24Å
748	V	92.2	Very high	89.6	Confident	1 Å²	1	34.3 Å²	34.3	1%	0.006	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	124.7	171	-174.9	0	0	0	0	107.4	C495 S496 D497 L807 S810 K815 L818	C495-V748 HydrophobicContact CB-CG2 4.41Å; S496-V748 PolarHBondContact O-N 3.38Å; D497-V748 WeakPolarHBondContact CA-O 2.99Å; V748-L807 WeakPolarHBondContact CA-O 3.33Å; V748-L807 HydrophobicContact CG1-CB 4.34Å; V748-L807 HydrophobicContact CG1-CD2 4.2Å; V748-L807 HydrophobicContact CG2-CB 4.44Å; V748-S810 WeakPolarHBondContact CG1-OG 3.32Å; V748-K815 HydrophobicContact CB-CG 4.47Å; V748-K815 HydrophobicContact CG1-CB 3.96Å; V748-K815 HydrophobicContact CG1-CD 4.4Å; V748-K815 HydrophobicContact CG1-CG 3.9Å; V748-L818 HydrophobicContact CG2-CD2 3.81Å
749	T	88.5	Confident	89.4	Confident	3 Å²	3	34.2 Å²	34.2	2%	0.018	19%	0.189	C	C	.	.			trans	-156.8	149.7	-173.6	-172.5	0	0	0	0	113.3	K498 M747 D751 A756 L807 A808 R809 S810	K498-T749 HydrophobicContact CB-CG2 4.27Å; M747-T749 HydrophobicContact CG-CG2 4.3Å; M747-T749 HydrophobicContact SD-CG2 4.15Å; T749-D751 HydrophobicContact CG2-CB 4.02Å; T749-D751 PolarHBondContact O-N 2.81Å; T749-D751 PolarHBondContact OG1-N 3.42Å; T749-A756 HydrophobicContact CG2-CB 3.85Å; T749-L807 PolarHBondContact N-O 3.49Å; T749-A808 CarbonylContact O-C 3.55Å; T749-A808 VanDerWaalsContact O-C 3.29Å; T749-A808 WeakPolarHBondContact O-CA 3.39Å; T749-R809 PolarHBondContact O-N 2.74Å; T749-S810 PolarHBondContact N-OG 3.34Å; T749-S810 PolarHBondContact O-N 2.84Å; T749-S810 PolarHBondContact O-OG 2.7Å; T749-S810 VanDerWaalsContact O-OG 3.14Å
750	G	81.9	Confident	89.5	Confident	56 Å²	56	32 Å²	32	58%	0.577	18%	0.178	S	C	*	.	S	Bend	trans	-71.6	-9.7	171.1	0	0	0	0	0	114.8
751	D	81	Confident	89.5	Confident	45 Å²	45	26.9 Å²	26.9	24%	0.241	17%	0.171	C	C	.	.	S	Bend	trans	-68.3	164.9	-178.3	-96.2	-45.2	0	0	0	114.3	K498 T749 R809	K498-D751 IonicContact NZ-OD2 2.98Å; K498-D751 PolarHBondContact NZ-OD2 3.07Å; T749-D751 HydrophobicContact CG2-CB 4.02Å; T749-D751 PolarHBondContact O-N 2.81Å; T749-D751 PolarHBondContact OG1-N 3.42Å; D751-R809 PolarHBondContact O-N 2.97Å
752	N	83.1	Confident	89.4	Confident	71 Å²	71	31.2 Å²	31.2	38%	0.38	19%	0.189	S	C	.	.			trans	-62.4	141.3	174.6	-175.3	-6.1	0	0	0	111.7	N754 T755 A756	N752-N754 PolarHBondContact O-N 3.11Å; N752-N754 VanDerWaalsContact O-N 3.14Å; N752-N754 PolarHBondContact OD1-N 2.83Å; N752-T755 PolarHBondContact O-N 3.31Å; N752-T755 VanDerWaalsContact O-N 3.15Å; N752-A756 WeakPolarHBondContact O-CB 3.48Å; N752-A756 PolarHBondContact O-N 3.5Å
753	V	87.9	Confident	89.5	Confident	18 Å²	18	29.5 Å²	29.5	11%	0.109	17%	0.171	C	C	.	.	H	α-helix	trans	-44.2	-45.4	176.2	179.9	0	0	0	0	113.2	A756 R757 V774 E776 A808	V753-A756 PolarHBondContact O-N 2.77Å; V753-R757 VanDerWaalsContact CG1-NH2 3.33Å; V753-R757 WeakPolarHBondContact O-CB 3.33Å; V753-R757 PolarHBondContact O-N 2.93Å; V753-V774 HydrophobicContact CG1-CG1 3.9Å; V753-E776 HydrophobicContact CG2-CG 3.23Å; V753-E776 WeakPolarHBondContact CG2-OE1 3.26Å; V753-A808 HydrophobicContact CB-CB 4.36Å; V753-A808 HydrophobicContact CG2-CB 3.92Å
754	N	86.2	Confident	89.4	Confident	62 Å²	62	30.5 Å²	30.5	33%	0.332	18%	0.182	S	C	.	.	H	α-helix	trans	-68.9	-45.7	-175.7	-68.9	-7.7	0	0	0	111.7	N752 R757 S758	N752-N754 PolarHBondContact O-N 3.11Å; N752-N754 VanDerWaalsContact O-N 3.14Å; N752-N754 PolarHBondContact OD1-N 2.83Å; N754-R757 PolarHBondContact O-N 3.48Å; N754-R757 PolarHBondContact OD1-NH1 2.96Å; N754-S758 WeakPolarHBondContact O-CB 3.43Å; N754-S758 PolarHBondContact O-N 3Å
755	T	83.9	Confident	89.5	Confident	30 Å²	30	28.4 Å²	28.4	18%	0.184	17%	0.169	C	C	.	.	H	α-helix	trans	-60.7	-45.3	173.2	-55.7	0	0	0	0	111.4	G672 N752 S758 I759	G672-T755 PolarHBondContact O-OG1 2.61Å; N752-T755 PolarHBondContact O-N 3.31Å; N752-T755 VanDerWaalsContact O-N 3.15Å; T755-S758 PolarHBondContact O-N 3.3Å; T755-I759 HydrophobicContact CG2-CD1 3.8Å; T755-I759 WeakPolarHBondContact O-CB 3.28Å; T755-I759 WeakPolarHBondContact O-CG1 3.05Å; T755-I759 PolarHBondContact O-N 2.93Å
756	A	88.1	Confident	89.4	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-63.7	-41.2	177.1	0	0	0	0	0	112.4	M747 T749 N752 V753 A760 V806 A808	M747-A756 HydrophobicContact SD-CB 4.08Å; T749-A756 HydrophobicContact CG2-CB 3.85Å; N752-A756 WeakPolarHBondContact O-CB 3.48Å; N752-A756 PolarHBondContact O-N 3.5Å; V753-A756 PolarHBondContact O-N 2.77Å; A756-A760 WeakPolarHBondContact O-CB 3.36Å; A756-A760 PolarHBondContact O-N 3.04Å; A756-V806 HydrophobicContact CB-CG1 3.72Å; A756-A808 HydrophobicContact CB-CB 3.96Å
757	R	90.5	Very high	89	Confident	105 Å²	105	32.6 Å²	32.6	40%	0.396	19%	0.187	S	C	.	.	H	α-helix	trans	-64.5	-46.7	176.2	-172.4	-170.2	-64.6	113.8	-3.1	111.7	V753 N754 A760 A761 L766	V753-R757 VanDerWaalsContact CG1-NH2 3.33Å; V753-R757 WeakPolarHBondContact O-CB 3.33Å; V753-R757 PolarHBondContact O-N 2.93Å; N754-R757 PolarHBondContact O-N 3.48Å; N754-R757 PolarHBondContact OD1-NH1 2.96Å; R757-A760 PolarHBondContact O-N 3.3Å; R757-A761 WeakPolarHBondContact O-CB 3.3Å; R757-A761 PolarHBondContact O-N 3.33Å; R757-L766 HydrophobicContact CG-CD1 3.87Å
758	S	88.2	Confident	88.4	Confident	19 Å²	19	39 Å²	39	13%	0.133	23%	0.229	C	C	.	.	H	α-helix	trans	-59	-51.2	177.2	175.7	0	0	0	0	111.3	D671 N754 T755 A760 A761 K762	D671-S758 VanDerWaalsContact O-CB 3.24Å; D671-S758 WeakPolarHBondContact O-CB 3.48Å; D671-S758 PolarHBondContact O-OG 2.92Å; N754-S758 WeakPolarHBondContact O-CB 3.43Å; N754-S758 PolarHBondContact O-N 3Å; T755-S758 PolarHBondContact O-N 3.3Å; S758-A760 PolarHBondContact O-N 3.13Å; S758-A761 PolarHBondContact O-N 3.41Å; S758-K762 WeakPolarHBondContact O-CG 3.26Å; S758-K762 PolarHBondContact O-N 3.46Å; S758-K762 WeakPolarHBondContact OG-CE 3.46Å
759	I	89.9	Confident	87.8	Confident	2 Å²	2	42.7 Å²	42.7	1%	0.01	27%	0.267	C	S	.	.	H	α-helix	trans	-66.6	-38.1	-179.8	-66.5	172.1	0	0	0	110.9	K498 T503 V727 M747 T755 A761 K762 C763	K498-I759 HydrophobicContact CD-CD1 3.83Å; K498-I759 HydrophobicContact CD-CG2 4.39Å; K498-I759 HydrophobicContact CG-CG2 3.96Å; T503-I759 HydrophobicContact CG2-CD1 4.2Å; T503-I759 HydrophobicContact CG2-CG2 4.01Å; V727-I759 HydrophobicContact CG2-CG2 3.84Å; M747-I759 HydrophobicContact CE-CB 4.22Å; M747-I759 HydrophobicContact CE-CG2 3.77Å; T755-I759 HydrophobicContact CG2-CD1 3.8Å; T755-I759 WeakPolarHBondContact O-CB 3.28Å; T755-I759 WeakPolarHBondContact O-CG1 3.05Å; T755-I759 PolarHBondContact O-N 2.93Å; I759-A761 VanDerWaalsContact C-N 3.33Å; I759-A761 PolarHBondContact O-N 3.49Å; I759-K762 PolarHBondContact O-N 3.26Å; I759-C763 VanDerWaalsContact O-CB 3.29Å; I759-C763 WeakPolarHBondContact O-CB 3.38Å; I759-C763 PolarHBondContact O-N 2.95Å; I759-C763 PolarHBondContact O-SG 3.34Å
760	A	92.8	Very high	87.4	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-66.7	-31.6	175.7	0	0	0	0	0	113.2	M747 A756 R757 S758 G764 I765 L766 V806	M747-A760 HydrophobicContact CE-CB 3.78Å; M747-A760 HydrophobicContact SD-CB 4.35Å; A756-A760 WeakPolarHBondContact O-CB 3.36Å; A756-A760 PolarHBondContact O-N 3.04Å; R757-A760 PolarHBondContact O-N 3.3Å; S758-A760 PolarHBondContact O-N 3.13Å; A760-G764 PolarHBondContact O-N 3.47Å; A760-I765 HydrophobicContact CB-CB 4.2Å; A760-I765 WeakPolarHBondContact O-CB 3.4Å; A760-I765 PolarHBondContact O-N 2.92Å; A760-L766 HydrophobicContact CB-CD1 3.97Å; A760-L766 HydrophobicContact CB-CG 3.85Å; A760-L766 PolarHBondContact O-N 2.94Å; A760-L766 VanDerWaalsContact O-N 3.17Å; A760-V806 HydrophobicContact CB-CG2 3.46Å; A760-V806 VanDerWaalsContact CB-CG2 3.46Å
761	A	91.4	Very high	87.5	Confident	55 Å²	55	50.4 Å²	50.4	46%	0.455	30%	0.295	S	S	.	.	H	α-helix	trans	-70.2	-47.8	170.4	0	0	0	0	0	111.5	R757 S758 I759 C763 G764	R757-A761 WeakPolarHBondContact O-CB 3.3Å; R757-A761 PolarHBondContact O-N 3.33Å; S758-A761 PolarHBondContact O-N 3.41Å; I759-A761 VanDerWaalsContact C-N 3.33Å; I759-A761 PolarHBondContact O-N 3.49Å; A761-C763 VanDerWaalsContact C-N 3.26Å; A761-C763 PolarHBondContact O-N 3.36Å; A761-G764 PolarHBondContact O-N 3.04Å
762	K	89.9	Confident	87.9	Confident	92 Å²	92	52.5 Å²	52.5	40%	0.4	30%	0.301	S	S	.	.	H	α-helix	trans	-58.2	-35.6	175.4	-68.9	173.7	-173.3	175	0	112.5	E724 V727 S758 I759 G764	E724-K762 IonicContact OE1-NZ 2.79Å; E724-K762 PolarHBondContact OE1-NZ 3.5Å; E724-K762 IonicContact OE2-NZ 2.84Å; E724-K762 PolarHBondContact OE2-NZ 2.93Å; V727-K762 HydrophobicContact CG2-CB 4.07Å; S758-K762 WeakPolarHBondContact O-CG 3.26Å; S758-K762 PolarHBondContact O-N 3.46Å; S758-K762 WeakPolarHBondContact OG-CE 3.46Å; I759-K762 PolarHBondContact O-N 3.26Å; K762-G764 VanDerWaalsContact C-N 3.33Å
763	C	92.1	Very high	88.3	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-13.1	173.9	-73.8	0	0	0	0	114.8	V731 I735 I759 A761 I765	V731-C763 HydrophobicContact CG1-CB 4.37Å; I735-C763 HydrophobicContact CD1-CB 3.82Å; I759-C763 VanDerWaalsContact O-CB 3.29Å; I759-C763 WeakPolarHBondContact O-CB 3.38Å; I759-C763 PolarHBondContact O-N 2.95Å; I759-C763 PolarHBondContact O-SG 3.34Å; A761-C763 VanDerWaalsContact C-N 3.26Å; A761-C763 PolarHBondContact O-N 3.36Å; C763-I765 VanDerWaalsContact C-N 3.32Å; C763-I765 HydrophobicContact CB-CD1 4.1Å; C763-I765 HydrophobicContact CB-CG1 4.02Å
764	G	92.4	Very high	88.6	Confident	23 Å²	23	51 Å²	51	24%	0.237	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.9	19.4	-173.1	0	0	0	0	0	114.9	Q739 A760 A761 K762	Q739-G764 PolarHBondContact NE2-O 3.1Å; A760-G764 PolarHBondContact O-N 3.47Å; A761-G764 PolarHBondContact O-N 3.04Å; K762-G764 VanDerWaalsContact C-N 3.33Å
765	I	94.1	Very high	88.9	Confident	5 Å²	5	48.2 Å²	48.2	3%	0.026	28%	0.277	C	S	.	.	S	Bend	trans	-74.8	-38.8	171.7	-62.7	173.8	0	0	0	110	L502 I735 V745 M747 A760 C763 R805	L502-I765 HydrophobicContact CD1-CD1 4.03Å; I735-I765 HydrophobicContact CD1-CD1 4.07Å; I735-I765 HydrophobicContact CD1-CG1 3.85Å; I735-I765 HydrophobicContact CG2-CG1 4.24Å; V745-I765 HydrophobicContact CG1-CD1 3.99Å; V745-I765 HydrophobicContact CG1-CG1 4.18Å; M747-I765 HydrophobicContact CB-CD1 4.24Å; M747-I765 HydrophobicContact CE-CD1 4.33Å; A760-I765 HydrophobicContact CB-CB 4.2Å; A760-I765 WeakPolarHBondContact O-CB 3.4Å; A760-I765 PolarHBondContact O-N 2.92Å; C763-I765 VanDerWaalsContact C-N 3.32Å; C763-I765 HydrophobicContact CB-CD1 4.1Å; C763-I765 HydrophobicContact CB-CG1 4.02Å; I765-R805 HydrophobicContact CG2-CB 4.29Å
766	L	93.3	Very high	89.4	Confident	10 Å²	10	49.5 Å²	49.5	5%	0.052	28%	0.282	C	S	.	.	S	Bend	trans	-99.1	123.2	171.5	-57.1	-177.3	0	0	0	109.2	R757 A760 Y772 V774 R805 V806	R757-L766 HydrophobicContact CG-CD1 3.87Å; A760-L766 HydrophobicContact CB-CD1 3.97Å; A760-L766 HydrophobicContact CB-CG 3.85Å; A760-L766 PolarHBondContact O-N 2.94Å; A760-L766 VanDerWaalsContact O-N 3.17Å; L766-Y772 HydrophobicContact CB-CE1 4.28Å; L766-Y772 HydrophobicContact CD1-CE2 4.07Å; L766-Y772 HydrophobicContact CD2-CD1 4.14Å; L766-Y772 HydrophobicContact CD2-CD2 3.62Å; L766-Y772 HydrophobicContact CD2-CE1 4.39Å; L766-Y772 HydrophobicContact CD2-CE2 3.9Å; L766-Y772 HydrophobicContact CD2-CG 3.76Å; L766-Y772 HydrophobicContact CG-CE2 4.42Å; L766-V774 HydrophobicContact CD1-CG2 4.18Å; L766-V774 HydrophobicContact CD2-CG2 4.48Å; L766-R805 HydrophobicContact CD2-CB 3.6Å; L766-R805 HydrophobicContact CD2-CG 4.21Å; L766-V806 HydrophobicContact CD1-CG2 4.26Å; L766-V806 HydrophobicContact CD2-CG2 4.11Å; L766-V806 HydrophobicContact CG-CG2 4.3Å
767	K	86	Confident	89.3	Confident	86 Å²	86	49.6 Å²	49.6	37%	0.374	28%	0.282	S	S	.	.			trans	-105.3	139	172.9	-63.2	176.6	-170.9	153.9	0	110.2	G769 D770 Y772	K767-G769 PolarHBondContact O-N 2.99Å; K767-D770 HydrophobicContact CB-CB 4.28Å; K767-D770 PolarHBondContact O-N 3.27Å; K767-Y772 WeakPolarHBondContact O-CE1 3.25Å
768	P	82.1	Confident	89.3	Confident	135 Å²	135	53 Å²	53	88%	0.877	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	120.7	168.1	-21.5	33.4	0	0	0	110.2
769	G	80	Confident	89.4	Confident	79 Å²	79	56 Å²	56	81%	0.814	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.9	-13.9	179.8	0	0	0	0	0	116.2	K767	K767-G769 PolarHBondContact O-N 2.99Å
770	D	79.9	Confident	89.5	Confident	78 Å²	78	55.9 Å²	55.9	42%	0.417	31%	0.311	S	S	.	.			trans	-74	140.4	173.8	-81.3	11.1	0	0	0	110.8	K767 Y772	K767-D770 HydrophobicContact CB-CB 4.28Å; K767-D770 PolarHBondContact O-N 3.27Å; D770-Y772 HydrophobicContact CB-CD1 4.06Å; D770-Y772 WeakPolarHBondContact O-CD1 3.48Å; D770-Y772 PolarHBondContact O-N 3.48Å; D770-Y772 VanDerWaalsContact O-N 3.1Å
771	N	85.3	Confident	89.3	Confident	143 Å²	143	57.2 Å²	57.2	77%	0.765	32%	0.318	S	S	*	.			trans	-75.5	95.1	169.1	-78.3	-25.1	0	0	0	110.3
772	Y	89.6	Confident	89.3	Confident	90 Å²	90	58.2 Å²	58.2	35%	0.353	33%	0.326	S	S	.	.			trans	-124.1	153.6	178.7	61.4	-102.1	0	0	0	113.2	L766 K767 D770 V774 Q803	L766-Y772 HydrophobicContact CB-CE1 4.28Å; L766-Y772 HydrophobicContact CD1-CE2 4.07Å; L766-Y772 HydrophobicContact CD2-CD1 4.14Å; L766-Y772 HydrophobicContact CD2-CD2 3.62Å; L766-Y772 HydrophobicContact CD2-CE1 4.39Å; L766-Y772 HydrophobicContact CD2-CE2 3.9Å; L766-Y772 HydrophobicContact CD2-CG 3.76Å; L766-Y772 HydrophobicContact CG-CE2 4.42Å; K767-Y772 WeakPolarHBondContact O-CE1 3.25Å; D770-Y772 HydrophobicContact CB-CD1 4.06Å; D770-Y772 WeakPolarHBondContact O-CD1 3.48Å; D770-Y772 PolarHBondContact O-N 3.48Å; D770-Y772 VanDerWaalsContact O-N 3.1Å; Y772-V774 HydrophobicContact CD2-CG2 4.04Å; Y772-V774 HydrophobicContact CE2-CG2 4.12Å; Y772-Q803 WeakPolarHBondContact CA-O 3.24Å
773	I	91.6	Very high	89.3	Confident	30 Å²	30	59 Å²	59	15%	0.154	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	137.7	170.5	-52.5	175.9	0	0	0	109.7	L775 Q803 R805	I773-L775 HydrophobicContact CG2-CD1 4.34Å; I773-L775 HydrophobicContact CG2-CD2 3.51Å; I773-L775 HydrophobicContact CG2-CG 3.65Å; I773-Q803 HydrophobicContact CD1-CB 3.8Å; I773-Q803 HydrophobicContact CG1-CB 3.75Å; I773-Q803 PolarHBondContact N-O 3.48Å; I773-R805 PolarHBondContact O-N 2.61Å
774	V	93.2	Very high	89.1	Confident	28 Å²	28	59 Å²	59	17%	0.17	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	125.1	166.7	177.3	0	0	0	0	107.3	V753 L766 Y772 V806	V753-V774 HydrophobicContact CG1-CG1 3.9Å; L766-V774 HydrophobicContact CD1-CG2 4.18Å; L766-V774 HydrophobicContact CD2-CG2 4.48Å; Y772-V774 HydrophobicContact CD2-CG2 4.04Å; Y772-V774 HydrophobicContact CE2-CG2 4.12Å; V774-V806 WeakPolarHBondContact CA-O 3.4Å; V774-V806 HydrophobicContact CB-CB 4.41Å; V774-V806 HydrophobicContact CG1-CB 4Å; V774-V806 HydrophobicContact CG1-CG1 4.16Å; V774-V806 HydrophobicContact CG2-CB 4.06Å; V774-V806 HydrophobicContact CG2-CG2 4.31Å
775	L	93.4	Very high	88.9	Confident	2 Å²	2	60.5 Å²	60.5	1%	0.01	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	155.4	-178.4	-62.1	-180	0	0	0	112	I773 E779 F780 V800 L804 V806 L807 A808	I773-L775 HydrophobicContact CG2-CD1 4.34Å; I773-L775 HydrophobicContact CG2-CD2 3.51Å; I773-L775 HydrophobicContact CG2-CG 3.65Å; L775-E779 HydrophobicContact CD2-CG 4.25Å; L775-E779 WeakPolarHBondContact CD2-OE2 3.34Å; L775-F780 HydrophobicContact CB-CB 4.43Å; L775-F780 HydrophobicContact CD1-CB 4.09Å; L775-F780 HydrophobicContact CD1-CD2 4.29Å; L775-V800 HydrophobicContact CD1-CG1 3.63Å; L775-L804 HydrophobicContact CB-CD1 4.15Å; L775-L804 HydrophobicContact CD1-CD1 3.99Å; L775-L804 HydrophobicContact CG-CD1 3.88Å; L775-V806 PolarHBondContact N-O 3.34Å; L775-L807 HydrophobicContact CB-CD1 4.1Å; L775-A808 PolarHBondContact O-N 2.83Å
776	E	92.6	Very high	88.3	Confident	58 Å²	58	61.1 Å²	61.1	27%	0.271	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	151.3	157.1	-71.2	-160.4	155.7	0	0	111.5	V753 K778 E779 F780 A808 R809	V753-E776 HydrophobicContact CG2-CG 3.23Å; V753-E776 WeakPolarHBondContact CG2-OE1 3.26Å; E776-K778 PolarHBondContact O-N 3.09Å; E776-K778 VanDerWaalsContact O-N 3.16Å; E776-E779 WeakPolarHBondContact O-CA 3.43Å; E776-E779 WeakPolarHBondContact O-CB 3.48Å; E776-E779 PolarHBondContact O-N 2.89Å; E776-F780 PolarHBondContact O-N 3.22Å; E776-A808 CarbonylContact C-O 3.48Å; E776-A808 VanDerWaalsContact CA-O 3.27Å; E776-A808 WeakPolarHBondContact CA-O 3.31Å; E776-R809 VanDerWaalsContact OE1-CD 3.25Å; E776-R809 WeakPolarHBondContact OE1-CD 3.35Å; E776-R809 IonicContact OE1-CZ 3.02Å; E776-R809 IonicContact OE1-NE 3.54Å; E776-R809 PolarHBondContact OE1-NE 2.98Å; E776-R809 IonicContact OE1-NH2 3.87Å; E776-R809 IonicContact OE2-NE 2.71Å
777	G	87.7	Confident	87.6	Confident	1 Å²	1	66.7 Å²	66.7	1%	0.01	37%	0.365	C	S	.	.	H	α-helix	trans	-50.9	-37.8	174.6	0	0	0	0	0	113.9	N781 A808 D814	G777-N781 WeakPolarHBondContact O-CB 3.33Å; G777-N781 PolarHBondContact O-N 3.12Å; G777-N781 PolarHBondContact O-ND2 2.88Å; G777-A808 PolarHBondContact N-O 2.95Å; G777-D814 VanDerWaalsContact CA-OD2 3.28Å; G777-D814 WeakPolarHBondContact CA-OD2 3.5Å
778	K	89.4	Confident	87.3	Confident	178 Å²	178	73.9 Å²	73.9	77%	0.774	39%	0.39	S	S	*	.	H	α-helix	trans	-62.8	-43.5	173.8	-174.6	-178.1	178.8	-175.6	0	112.6	E776 A782	E776-K778 PolarHBondContact O-N 3.09Å; E776-K778 VanDerWaalsContact O-N 3.16Å; K778-A782 WeakPolarHBondContact O-CB 3.45Å; K778-A782 PolarHBondContact O-N 3.43Å; K778-A782 VanDerWaalsContact O-N 3.1Å
779	E	91.3	Very high	87.2	Confident	80 Å²	80	71.2 Å²	71.2	37%	0.374	37%	0.371	S	S	.	.	H	α-helix	trans	-72.9	-40.6	-179.5	-165	-168.7	164	0	0	111.3	L775 E776 A782 R783	L775-E779 HydrophobicContact CD2-CG 4.25Å; L775-E779 WeakPolarHBondContact CD2-OE2 3.34Å; E776-E779 WeakPolarHBondContact O-CA 3.43Å; E776-E779 WeakPolarHBondContact O-CB 3.48Å; E776-E779 PolarHBondContact O-N 2.89Å; E779-A782 PolarHBondContact O-N 3.32Å; E779-R783 WeakPolarHBondContact O-CG 3.4Å; E779-R783 PolarHBondContact O-N 2.83Å; E779-R783 IonicContact OE1-CZ 2.65Å; E779-R783 VanDerWaalsContact OE1-CZ 3.22Å; E779-R783 IonicContact OE1-NE 2.93Å; E779-R783 PolarHBondContact OE1-NE 2.96Å; E779-R783 IonicContact OE1-NH2 2.7Å; E779-R783 PolarHBondContact OE1-NH2 3.37Å
780	F	92.1	Very high	87.1	Confident	0 Å²	0	72.9 Å²	72.9	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-56.3	-50.9	171.8	171.6	-109.7	0	0	0	111.5	L775 E776 A782 R783 V784 M797 V800 L804 L807 D814 T817 L818	L775-F780 HydrophobicContact CB-CB 4.43Å; L775-F780 HydrophobicContact CD1-CB 4.09Å; L775-F780 HydrophobicContact CD1-CD2 4.29Å; E776-F780 PolarHBondContact O-N 3.22Å; F780-A782 VanDerWaalsContact C-N 3.3Å; F780-A782 PolarHBondContact O-N 3.25Å; F780-R783 PolarHBondContact O-N 2.99Å; F780-R783 VanDerWaalsContact O-N 3.13Å; F780-V784 HydrophobicContact CD2-CG1 3.89Å; F780-V784 HydrophobicContact CE1-CG2 4.41Å; F780-V784 HydrophobicContact CE2-CG1 3.7Å; F780-V784 HydrophobicContact CE2-CG2 4.45Å; F780-V784 HydrophobicContact CZ-CG1 4.32Å; F780-V784 HydrophobicContact CZ-CG2 4.32Å; F780-V784 WeakPolarHBondContact O-CG1 3.26Å; F780-V784 VanDerWaalsContact O-CG2 3.29Å; F780-V784 WeakPolarHBondContact O-CG2 3.33Å; F780-V784 PolarHBondContact O-N 3.33Å; F780-M797 HydrophobicContact CE2-CE 4.18Å; F780-M797 HydrophobicContact CE2-SD 3.94Å; F780-M797 HydrophobicContact CZ-CE 3.76Å; F780-M797 HydrophobicContact CZ-SD 4.02Å; F780-V800 HydrophobicContact CD2-CG1 4.47Å; F780-L804 HydrophobicContact CD2-CD2 4.3Å; F780-L804 HydrophobicContact CE2-CD2 4.3Å; F780-L807 HydrophobicContact CB-CD1 3.52Å; F780-L807 HydrophobicContact CD1-CD1 4.22Å; F780-L807 HydrophobicContact CD1-CD2 3.98Å; F780-L807 HydrophobicContact CD2-CD1 4.39Å; F780-L807 HydrophobicContact CE1-CD2 4.18Å; F780-L807 HydrophobicContact CG-CD1 3.81Å; F780-L807 HydrophobicContact CG-CD2 4.25Å; F780-D814 HydrophobicContact CD1-CB 4.3Å; F780-D814 HydrophobicContact CE1-CB 4.4Å; F780-T817 HydrophobicContact CE1-CG2 4.05Å; F780-T817 HydrophobicContact CZ-CG2 4.24Å; F780-L818 HydrophobicContact CE1-CB 4.32Å; F780-L818 HydrophobicContact CE2-CD1 4.03Å; F780-L818 HydrophobicContact CZ-CB 3.79Å; F780-L818 HydrophobicContact CZ-CD1 4.06Å; F780-L818 HydrophobicContact CZ-CG 4.49Å
781	N	89	Confident	87.3	Confident	28 Å²	28	77 Å²	77	15%	0.15	37%	0.372	C	S	.	.	H	α-helix	trans	-58.7	-39.9	175.2	-83.3	-79.1	0	0	0	112.5	G777 R783 R785 D814	G777-N781 WeakPolarHBondContact O-CB 3.33Å; G777-N781 PolarHBondContact O-N 3.12Å; G777-N781 PolarHBondContact O-ND2 2.88Å; N781-R783 VanDerWaalsContact C-N 3.33Å; N781-R783 PolarHBondContact O-N 3.02Å; N781-R785 VanDerWaalsContact O-CB 3.31Å; N781-R785 WeakPolarHBondContact O-CB 3.46Å; N781-R785 VanDerWaalsContact O-CG 3.27Å; N781-R785 WeakPolarHBondContact O-CG 3.29Å; N781-R785 PolarHBondContact O-N 3.45Å; N781-R785 VanDerWaalsContact OD1-CZ 3.3Å; N781-R785 PolarHBondContact OD1-NE 2.92Å; N781-R785 PolarHBondContact OD1-NH2 3.45Å; N781-D814 VanDerWaalsContact ND2-CG 3.26Å; N781-D814 PolarHBondContact ND2-OD1 3.36Å
782	A	89.8	Confident	87.1	Confident	76 Å²	76	73 Å²	73	63%	0.628	35%	0.352	S	S	*	.	H	α-helix	trans	-68.7	-29	177.4	0	0	0	0	0	113.5	K778 E779 F780	K778-A782 WeakPolarHBondContact O-CB 3.45Å; K778-A782 PolarHBondContact O-N 3.43Å; K778-A782 VanDerWaalsContact O-N 3.1Å; E779-A782 PolarHBondContact O-N 3.32Å; F780-A782 VanDerWaalsContact C-N 3.3Å; F780-A782 PolarHBondContact O-N 3.25Å
783	R	90.2	Very high	86.9	Confident	109 Å²	109	73.8 Å²	73.8	41%	0.411	36%	0.355	S	S	.	.	H	α-helix	trans	-80.7	-38.2	176.6	-71.7	173	178.9	-120.2	9.9	113	E779 F780 N781 L796 V800	E779-R783 WeakPolarHBondContact O-CG 3.4Å; E779-R783 PolarHBondContact O-N 2.83Å; E779-R783 IonicContact OE1-CZ 2.65Å; E779-R783 VanDerWaalsContact OE1-CZ 3.22Å; E779-R783 IonicContact OE1-NE 2.93Å; E779-R783 PolarHBondContact OE1-NE 2.96Å; E779-R783 IonicContact OE1-NH2 2.7Å; E779-R783 PolarHBondContact OE1-NH2 3.37Å; F780-R783 PolarHBondContact O-N 2.99Å; F780-R783 VanDerWaalsContact O-N 3.13Å; N781-R783 VanDerWaalsContact C-N 3.33Å; N781-R783 PolarHBondContact O-N 3.02Å; R783-L796 WeakPolarHBondContact O-CB 3.23Å; R783-V800 HydrophobicContact CB-CG2 4.18Å
784	V	88.5	Confident	86.7	Confident	0 Å²	0	75.2 Å²	75.2	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-96.4	-3.8	-171.2	-53	0	0	0	0	115.1	F780 V792 R793 M797 T817	F780-V784 HydrophobicContact CD2-CG1 3.89Å; F780-V784 HydrophobicContact CE1-CG2 4.41Å; F780-V784 HydrophobicContact CE2-CG1 3.7Å; F780-V784 HydrophobicContact CE2-CG2 4.45Å; F780-V784 HydrophobicContact CZ-CG1 4.32Å; F780-V784 HydrophobicContact CZ-CG2 4.32Å; F780-V784 WeakPolarHBondContact O-CG1 3.26Å; F780-V784 VanDerWaalsContact O-CG2 3.29Å; F780-V784 WeakPolarHBondContact O-CG2 3.33Å; F780-V784 PolarHBondContact O-N 3.33Å; V784-V792 HydrophobicContact CG2-CG1 4.41Å; V784-V792 WeakPolarHBondContact O-CA 3.43Å; V784-R793 PolarHBondContact O-N 3.46Å; V784-M797 HydrophobicContact CB-CE 3.85Å; V784-M797 HydrophobicContact CB-SD 4.5Å; V784-M797 HydrophobicContact CG1-CE 3.92Å; V784-M797 HydrophobicContact CG1-SD 3.97Å; V784-M797 HydrophobicContact CG2-CE 3.91Å; V784-T817 HydrophobicContact CG2-CG2 4.43Å
785	R	87.7	Confident	86.4	Confident	55 Å²	55	77.7 Å²	77.7	21%	0.208	37%	0.373	C	S	.	.	B	Isolated β-bridge	trans	-108.4	143	178.6	-64.1	177.4	-175.7	-99.3	1.3	111.7	N781 P787 N790 R791 V792	N781-R785 VanDerWaalsContact O-CB 3.31Å; N781-R785 WeakPolarHBondContact O-CB 3.46Å; N781-R785 VanDerWaalsContact O-CG 3.27Å; N781-R785 WeakPolarHBondContact O-CG 3.29Å; N781-R785 PolarHBondContact O-N 3.45Å; N781-R785 VanDerWaalsContact OD1-CZ 3.3Å; N781-R785 PolarHBondContact OD1-NE 2.92Å; N781-R785 PolarHBondContact OD1-NH2 3.45Å; R785-P787 WeakPolarHBondContact O-CD 3.44Å; R785-N790 WeakPolarHBondContact CD-O 3.44Å; R785-N790 VanDerWaalsContact CD-OD1 3.25Å; R785-N790 WeakPolarHBondContact CD-OD1 3.45Å; R785-N790 PolarHBondContact NH1-O 3.48Å; R785-R791 VanDerWaalsContact CA-O 3.31Å; R785-R791 WeakPolarHBondContact CA-O 3.37Å; R785-V792 HydrophobicContact CG-CG2 4.15Å
786	D	82.3	Confident	86.1	Confident	18 Å²	18	79.6 Å²	79.6	10%	0.096	38%	0.383	C	S	.	.			trans	-66.4	119.7	170.5	-175.1	-32.1	0	0	0	110.2	R788 T789 N790 R791 R793	D786-R788 PolarHBondContact O-N 3.19Å; D786-R788 WeakPolarHBondContact OD1-CB 3.24Å; D786-R788 PolarHBondContact OD1-N 3.02Å; D786-T789 WeakPolarHBondContact CB-OG1 3.25Å; D786-T789 PolarHBondContact O-N 2.74Å; D786-N790 WeakPolarHBondContact O-CA 3.4Å; D786-N790 PolarHBondContact O-N 3.43Å; D786-R791 PolarHBondContact N-O 2.95Å; D786-R793 HydrophobicContact CB-CG 4.21Å; D786-R793 IonicContact OD2-CZ 3.76Å; D786-R793 VanDerWaalsContact OD2-CZ 3.26Å; D786-R793 IonicContact OD2-NE 2.66Å; D786-R793 PolarHBondContact OD2-NE 2.92Å; D786-R793 IonicContact OD2-NH2 3.27Å; D786-R793 PolarHBondContact OD2-NH2 2.79Å
787	P	78.5	Confident	85.9	Confident	126 Å²	126	76.8 Å²	76.8	82%	0.818	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-19.3	-179.7	-26.4	35.9	0	0	0	115	R785	R785-P787 WeakPolarHBondContact O-CD 3.44Å
788	R	78.3	Confident	86	Confident	238 Å²	238	78.3 Å²	78.3	90%	0.898	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-26.8	-179.7	-61.2	-179.1	177.3	177.1	-0.4	113.9	D786	D786-R788 PolarHBondContact O-N 3.19Å; D786-R788 WeakPolarHBondContact OD1-CB 3.24Å; D786-R788 PolarHBondContact OD1-N 3.02Å
789	T	81	Confident	85.9	Confident	78 Å²	78	76.3 Å²	76.3	48%	0.479	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120	-10.6	-175	68.3	0	0	0	0	114	D786 R791	D786-T789 WeakPolarHBondContact CB-OG1 3.25Å; D786-T789 PolarHBondContact O-N 2.74Å; T789-R791 PolarHBondContact O-N 3.06Å
790	N	77.5	Confident	85.8	Confident	115 Å²	115	72.9 Å²	72.9	62%	0.615	36%	0.355	S	S	*	.			trans	55.7	12.6	-174.7	-154.8	12.1	0	0	0	114.5	R785 D786	R785-N790 WeakPolarHBondContact CD-O 3.44Å; R785-N790 VanDerWaalsContact CD-OD1 3.25Å; R785-N790 WeakPolarHBondContact CD-OD1 3.45Å; R785-N790 PolarHBondContact NH1-O 3.48Å; D786-N790 WeakPolarHBondContact O-CA 3.4Å; D786-N790 PolarHBondContact O-N 3.43Å
791	R	84	Confident	85.7	Confident	164 Å²	164	73.5 Å²	73.5	62%	0.619	36%	0.358	S	S	*	.			trans	-87	145.7	175.2	-66.4	-179.3	179.6	-174.9	-0.4	109.8	R785 D786 T789	R785-R791 VanDerWaalsContact CA-O 3.31Å; R785-R791 WeakPolarHBondContact CA-O 3.37Å; D786-R791 PolarHBondContact N-O 2.95Å; T789-R791 PolarHBondContact O-N 3.06Å
792	V	81.5	Confident	85.8	Confident	60 Å²	60	74.2 Å²	74.2	36%	0.364	36%	0.364	S	S	.	.	B	Isolated β-bridge	trans	-66.6	135.1	175	-178.4	0	0	0	0	109.1	V784 R785 M797 T817	V784-V792 HydrophobicContact CG2-CG1 4.41Å; V784-V792 WeakPolarHBondContact O-CA 3.43Å; R785-V792 HydrophobicContact CG-CG2 4.15Å; V792-M797 HydrophobicContact CG1-CE 3.87Å; V792-T817 HydrophobicContact CG1-CG2 4.15Å; V792-T817 HydrophobicContact CG2-CG2 3.76Å
793	R	85.8	Confident	85.8	Confident	106 Å²	106	75.1 Å²	75.1	40%	0.4	36%	0.355	S	S	.	.			trans	-113.9	126.6	179	-97.5	-176.2	-179	-120.8	9	109.7	V784 D786 D795 L796 M797	V784-R793 PolarHBondContact O-N 3.46Å; D786-R793 HydrophobicContact CB-CG 4.21Å; D786-R793 IonicContact OD2-CZ 3.76Å; D786-R793 VanDerWaalsContact OD2-CZ 3.26Å; D786-R793 IonicContact OD2-NE 2.66Å; D786-R793 PolarHBondContact OD2-NE 2.92Å; D786-R793 IonicContact OD2-NH2 3.27Å; D786-R793 PolarHBondContact OD2-NH2 2.79Å; R793-D795 VanDerWaalsContact C-N 3.31Å; R793-D795 VanDerWaalsContact CB-OD1 3.26Å; R793-D795 WeakPolarHBondContact CB-OD1 3.4Å; R793-D795 WeakPolarHBondContact CG-OD1 3.37Å; R793-D795 IonicContact NH1-OD2 3.87Å; R793-D795 PolarHBondContact NH1-OD2 2.93Å; R793-D795 PolarHBondContact O-N 3.48Å; R793-L796 HydrophobicContact CB-CB 4.06Å; R793-L796 HydrophobicContact CB-CD1 3.93Å; R793-L796 HydrophobicContact CB-CG 3.83Å; R793-L796 PolarHBondContact O-N 3.26Å; R793-M797 WeakPolarHBondContact O-CB 3.49Å; R793-M797 PolarHBondContact O-N 2.72Å
794	Q	87	Confident	86	Confident	60 Å²	60	70 Å²	70	28%	0.28	34%	0.336	S	S	.	.	H	α-helix	trans	-66.5	-37	-178.8	-167.7	61.3	42.5	0	0	111.5	L796 M797 D798 G821	Q794-L796 PolarHBondContact O-N 2.98Å; Q794-M797 WeakPolarHBondContact O-CB 3.29Å; Q794-M797 PolarHBondContact O-N 2.92Å; Q794-D798 PolarHBondContact NE2-OD1 3.35Å; Q794-D798 VanDerWaalsContact O-CB 3.3Å; Q794-D798 WeakPolarHBondContact O-CB 3.35Å; Q794-D798 VanDerWaalsContact O-CG 3.29Å; Q794-D798 PolarHBondContact O-N 2.84Å; Q794-G821 PolarHBondContact NE2-O 3.2Å
795	D	86.2	Confident	86.3	Confident	79 Å²	79	72.2 Å²	72.2	42%	0.422	34%	0.344	S	S	.	.	H	α-helix	trans	-57.2	-32.7	173.2	48.6	-56.4	0	0	0	113.4	R793 Q799	R793-D795 VanDerWaalsContact C-N 3.31Å; R793-D795 VanDerWaalsContact CB-OD1 3.26Å; R793-D795 WeakPolarHBondContact CB-OD1 3.4Å; R793-D795 WeakPolarHBondContact CG-OD1 3.37Å; R793-D795 IonicContact NH1-OD2 3.87Å; R793-D795 PolarHBondContact NH1-OD2 2.93Å; R793-D795 PolarHBondContact O-N 3.48Å; D795-Q799 PolarHBondContact O-NE2 3.01Å
796	L	88.2	Confident	86.6	Confident	42 Å²	42	69.6 Å²	69.6	22%	0.22	33%	0.334	C	S	.	.	H	α-helix	trans	-87.5	-35.3	176.3	-61	-176.8	0	0	0	112.4	R783 R793 Q794 Q799	R783-L796 WeakPolarHBondContact O-CB 3.23Å; R793-L796 HydrophobicContact CB-CB 4.06Å; R793-L796 HydrophobicContact CB-CD1 3.93Å; R793-L796 HydrophobicContact CB-CG 3.83Å; R793-L796 PolarHBondContact O-N 3.26Å; Q794-L796 PolarHBondContact O-N 2.98Å; L796-Q799 PolarHBondContact O-N 3.45Å
797	M	88.5	Confident	87.2	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-59.7	-46.5	173.4	-177	61.7	70.7	0	0	111.5	F780 V784 V792 R793 Q794 Q799 V800 W801 T817	F780-M797 HydrophobicContact CE2-CE 4.18Å; F780-M797 HydrophobicContact CE2-SD 3.94Å; F780-M797 HydrophobicContact CZ-CE 3.76Å; F780-M797 HydrophobicContact CZ-SD 4.02Å; V784-M797 HydrophobicContact CB-CE 3.85Å; V784-M797 HydrophobicContact CB-SD 4.5Å; V784-M797 HydrophobicContact CG1-CE 3.92Å; V784-M797 HydrophobicContact CG1-SD 3.97Å; V784-M797 HydrophobicContact CG2-CE 3.91Å; V792-M797 HydrophobicContact CG1-CE 3.87Å; R793-M797 WeakPolarHBondContact O-CB 3.49Å; R793-M797 PolarHBondContact O-N 2.72Å; Q794-M797 WeakPolarHBondContact O-CB 3.29Å; Q794-M797 PolarHBondContact O-N 2.92Å; M797-Q799 PolarHBondContact O-N 2.73Å; M797-V800 PolarHBondContact O-N 2.92Å; M797-W801 VanDerWaalsContact O-CD1 3.29Å; M797-W801 PolarHBondContact O-N 2.97Å; M797-W801 HydrophobicContact SD-CB 4.49Å; M797-T817 HydrophobicContact CE-CG2 3.72Å
798	D	88.9	Confident	87.8	Confident	32 Å²	32	62.8 Å²	62.8	17%	0.171	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-26.1	-177	-77.9	-16.1	0	0	0	113.2	Q794 V800 W801 P802 S825 I827	Q794-D798 PolarHBondContact NE2-OD1 3.35Å; Q794-D798 VanDerWaalsContact O-CB 3.3Å; Q794-D798 WeakPolarHBondContact O-CB 3.35Å; Q794-D798 VanDerWaalsContact O-CG 3.29Å; Q794-D798 PolarHBondContact O-N 2.84Å; D798-V800 VanDerWaalsContact C-N 3.28Å; D798-V800 PolarHBondContact O-N 3.29Å; D798-W801 PolarHBondContact OD1-NE1 3.45Å; D798-P802 WeakPolarHBondContact O-CD 3.35Å; D798-P802 WeakPolarHBondContact O-CG 3.2Å; D798-S825 VanDerWaalsContact OD1-CB 3.24Å; D798-S825 WeakPolarHBondContact OD1-CB 3.48Å; D798-S825 PolarHBondContact OD1-OG 2.89Å; D798-I827 HydrophobicContact CB-CD1 3.54Å; D798-I827 HydrophobicContact CB-CG1 3.83Å; D798-I827 VanDerWaalsContact O-CD1 3.24Å; D798-I827 WeakPolarHBondContact O-CD1 3.39Å
799	Q	87.9	Confident	88.3	Confident	136 Å²	136	58 Å²	58	64%	0.636	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-17.1	172.5	-68.4	169.7	57.5	0	0	113.5	D795 L796 M797	D795-Q799 PolarHBondContact O-NE2 3.01Å; L796-Q799 PolarHBondContact O-N 3.45Å; M797-Q799 PolarHBondContact O-N 2.73Å
800	V	89.3	Confident	88.5	Confident	8 Å²	8	55.1 Å²	55.1	5%	0.048	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.1	-48.7	-169	178.8	0	0	0	0	112.8	L775 F780 R783 M797 D798 Q803 L804	L775-V800 HydrophobicContact CD1-CG1 3.63Å; F780-V800 HydrophobicContact CD2-CG1 4.47Å; R783-V800 HydrophobicContact CB-CG2 4.18Å; M797-V800 PolarHBondContact O-N 2.92Å; D798-V800 VanDerWaalsContact C-N 3.28Å; D798-V800 PolarHBondContact O-N 3.29Å; V800-Q803 PolarHBondContact O-N 3.43Å; V800-L804 WeakPolarHBondContact O-CB 3.41Å; V800-L804 PolarHBondContact O-N 3.07Å
801	W	90.2	Very high	88.8	Confident	13 Å²	13	51.7 Å²	51.7	5%	0.049	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-29	-172.2	81.4	-101.6	0	0	0	115.9	R746 M797 D798 Q803 L818 I822 S825 I827 E832	R746-W801 PolarHBondContact NE-O 2.84Å; R746-W801 PolarHBondContact NH2-O 2.7Å; M797-W801 VanDerWaalsContact O-CD1 3.29Å; M797-W801 PolarHBondContact O-N 2.97Å; M797-W801 HydrophobicContact SD-CB 4.49Å; D798-W801 PolarHBondContact OD1-NE1 3.45Å; W801-Q803 PolarHBondContact O-N 3.12Å; W801-L818 HydrophobicContact CB-CD1 4.12Å; W801-I822 HydrophobicContact CB-CG1 3.91Å; W801-I822 HydrophobicContact CD2-CB 4.47Å; W801-I822 HydrophobicContact CD2-CG1 3.83Å; W801-I822 HydrophobicContact CD2-CG2 4.37Å; W801-I822 HydrophobicContact CE3-CB 4.43Å; W801-I822 HydrophobicContact CE3-CD1 4.37Å; W801-I822 HydrophobicContact CE3-CG1 3.81Å; W801-I822 HydrophobicContact CE3-CG2 3.96Å; W801-I822 HydrophobicContact CG-CG1 3.85Å; W801-I822 HydrophobicContact CH2-CG2 4.5Å; W801-I822 HydrophobicContact CZ3-CG2 4.03Å; W801-S825 WeakPolarHBondContact CZ2-OG 3.38Å; W801-S825 PolarHBondContact NE1-OG 2.87Å; W801-S825 VanDerWaalsContact NE1-OG 3.11Å; W801-I827 HydrophobicContact CZ2-CD1 3.9Å; W801-E832 HydrophobicContact CH2-CG 3.52Å; W801-E832 HydrophobicContact CZ2-CG 4.16Å; W801-E832 HydrophobicContact CZ3-CG 4.07Å
802	P	89.5	Confident	88.7	Confident	43 Å²	43	46.6 Å²	46.6	28%	0.279	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-37.9	179.5	-25.2	36.6	0	0	0	112.9	D798 R805 I827	D798-P802 WeakPolarHBondContact O-CD 3.35Å; D798-P802 WeakPolarHBondContact O-CG 3.2Å; P802-R805 PolarHBondContact O-NH1 3.46Å; P802-R805 PolarHBondContact O-NH2 3.06Å; P802-R805 VanDerWaalsContact O-NH2 3.13Å; P802-I827 HydrophobicContact CG-CD1 3.62Å
803	Q	90.8	Very high	88.8	Confident	95 Å²	95	48.6 Å²	48.6	44%	0.444	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-21.1	179.4	-60.4	-175.7	1.9	0	0	113.3	Y772 I773 V800 W801 R805	Y772-Q803 WeakPolarHBondContact CA-O 3.24Å; I773-Q803 HydrophobicContact CD1-CB 3.8Å; I773-Q803 HydrophobicContact CG1-CB 3.75Å; I773-Q803 PolarHBondContact N-O 3.48Å; V800-Q803 PolarHBondContact O-N 3.43Å; W801-Q803 PolarHBondContact O-N 3.12Å; Q803-R805 PolarHBondContact O-N 3.12Å; Q803-R805 PolarHBondContact O-NH1 3.09Å
804	L	93.6	Very high	89	Confident	1 Å²	1	44 Å²	44	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	125.2	176	-173.4	62	0	0	0	111.2	R746 L775 F780 V800 V806 L807 L818	R746-L804 WeakPolarHBondContact CD-O 3.3Å; R746-L804 PolarHBondContact NE-O 3.48Å; R746-L804 VanDerWaalsContact NE-O 3.07Å; L775-L804 HydrophobicContact CB-CD1 4.15Å; L775-L804 HydrophobicContact CD1-CD1 3.99Å; L775-L804 HydrophobicContact CG-CD1 3.88Å; F780-L804 HydrophobicContact CD2-CD2 4.3Å; F780-L804 HydrophobicContact CE2-CD2 4.3Å; V800-L804 WeakPolarHBondContact O-CB 3.41Å; V800-L804 PolarHBondContact O-N 3.07Å; L804-V806 WeakPolarHBondContact CD1-O 3.48Å; L804-L807 HydrophobicContact CD2-CB 4.47Å; L804-L818 HydrophobicContact CD2-CD1 3.82Å; L804-L818 HydrophobicContact CD2-CD2 4.04Å
805	R	94.6	Very high	89	Confident	47 Å²	47	41.4 Å²	41.4	18%	0.177	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	-29.3	175.2	-65.9	-66.2	169.9	-85.7	-4.6	113.3	R746 M747 I765 L766 I773 P802 Q803	R746-R805 WeakPolarHBondContact CA-O 3.45Å; M747-R805 PolarHBondContact N-O 2.97Å; I765-R805 HydrophobicContact CG2-CB 4.29Å; L766-R805 HydrophobicContact CD2-CB 3.6Å; L766-R805 HydrophobicContact CD2-CG 4.21Å; I773-R805 PolarHBondContact O-N 2.61Å; P802-R805 PolarHBondContact O-NH1 3.46Å; P802-R805 PolarHBondContact O-NH2 3.06Å; P802-R805 VanDerWaalsContact O-NH2 3.13Å; Q803-R805 PolarHBondContact O-N 3.12Å; Q803-R805 PolarHBondContact O-NH1 3.09Å
806	V	95	Very high	89.2	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	123.5	179.2	-178.4	0	0	0	0	109.5	M747 A756 A760 L766 V774 L775 L804	M747-V806 HydrophobicContact CB-CG1 4.47Å; M747-V806 HydrophobicContact CB-CG2 4.32Å; M747-V806 CarbonylContact O-C 3.5Å; M747-V806 WeakPolarHBondContact O-CA 3.26Å; M747-V806 HydrophobicContact SD-CG1 4.29Å; A756-V806 HydrophobicContact CB-CG1 3.72Å; A760-V806 HydrophobicContact CB-CG2 3.46Å; A760-V806 VanDerWaalsContact CB-CG2 3.46Å; L766-V806 HydrophobicContact CD1-CG2 4.26Å; L766-V806 HydrophobicContact CD2-CG2 4.11Å; L766-V806 HydrophobicContact CG-CG2 4.3Å; V774-V806 WeakPolarHBondContact CA-O 3.4Å; V774-V806 HydrophobicContact CB-CB 4.41Å; V774-V806 HydrophobicContact CG1-CB 4Å; V774-V806 HydrophobicContact CG1-CG1 4.16Å; V774-V806 HydrophobicContact CG2-CB 4.06Å; V774-V806 HydrophobicContact CG2-CG2 4.31Å; L775-V806 PolarHBondContact N-O 3.34Å; L804-V806 WeakPolarHBondContact CD1-O 3.48Å
807	L	94.5	Very high	89.3	Confident	1 Å²	1	40.2 Å²	40.2	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	104.6	168.9	-176.3	62.4	0	0	0	108.5	M747 V748 T749 L775 F780 L804 D814 L818	M747-L807 PolarHBondContact O-N 3.24Å; V748-L807 WeakPolarHBondContact CA-O 3.33Å; V748-L807 HydrophobicContact CG1-CB 4.34Å; V748-L807 HydrophobicContact CG1-CD2 4.2Å; V748-L807 HydrophobicContact CG2-CB 4.44Å; T749-L807 PolarHBondContact N-O 3.49Å; L775-L807 HydrophobicContact CB-CD1 4.1Å; F780-L807 HydrophobicContact CB-CD1 3.52Å; F780-L807 HydrophobicContact CD1-CD1 4.22Å; F780-L807 HydrophobicContact CD1-CD2 3.98Å; F780-L807 HydrophobicContact CD2-CD1 4.39Å; F780-L807 HydrophobicContact CE1-CD2 4.18Å; F780-L807 HydrophobicContact CG-CD1 3.81Å; F780-L807 HydrophobicContact CG-CD2 4.25Å; L804-L807 HydrophobicContact CD2-CB 4.47Å; L807-D814 HydrophobicContact CD2-CB 4.28Å; L807-L818 HydrophobicContact CD2-CD2 4.05Å
808	A	91.9	Very high	89.5	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	162.4	-177.7	0	0	0	0	0	111.4	T749 V753 A756 L775 E776 G777 S810	T749-A808 CarbonylContact O-C 3.55Å; T749-A808 VanDerWaalsContact O-C 3.29Å; T749-A808 WeakPolarHBondContact O-CA 3.39Å; V753-A808 HydrophobicContact CB-CB 4.36Å; V753-A808 HydrophobicContact CG2-CB 3.92Å; A756-A808 HydrophobicContact CB-CB 3.96Å; L775-A808 PolarHBondContact O-N 2.83Å; E776-A808 CarbonylContact C-O 3.48Å; E776-A808 VanDerWaalsContact CA-O 3.27Å; E776-A808 WeakPolarHBondContact CA-O 3.31Å; G777-A808 PolarHBondContact N-O 2.95Å; A808-S810 PolarHBondContact O-N 3.18Å; A808-S810 VanDerWaalsContact O-N 3.07Å
809	R	87.8	Confident	89.7	Confident	139 Å²	139	38.8 Å²	38.8	53%	0.525	19%	0.186	S	C	.	.	S	Bend	trans	44	35.9	-169.8	-57.3	-166	-166.3	-124.7	2.5	113.7	T749 D751 E776	T749-R809 PolarHBondContact O-N 2.74Å; D751-R809 PolarHBondContact O-N 2.97Å; E776-R809 VanDerWaalsContact OE1-CD 3.25Å; E776-R809 WeakPolarHBondContact OE1-CD 3.35Å; E776-R809 IonicContact OE1-CZ 3.02Å; E776-R809 IonicContact OE1-NE 3.54Å; E776-R809 PolarHBondContact OE1-NE 2.98Å; E776-R809 IonicContact OE1-NH2 3.87Å; E776-R809 IonicContact OE2-NE 2.71Å
810	S	85.8	Confident	89.8	Confident	16 Å²	16	33.1 Å²	33.1	11%	0.112	16%	0.161	C	C	.	.			trans	-71.8	131.3	-177.3	63.9	0	0	0	0	111.2	V748 T749 A808	V748-S810 WeakPolarHBondContact CG1-OG 3.32Å; T749-S810 PolarHBondContact N-OG 3.34Å; T749-S810 PolarHBondContact O-N 2.84Å; T749-S810 PolarHBondContact O-OG 2.7Å; T749-S810 VanDerWaalsContact O-OG 3.14Å; A808-S810 PolarHBondContact O-N 3.18Å; A808-S810 VanDerWaalsContact O-N 3.07Å
811	S	83.9	Confident	89.8	Confident	44 Å²	44	32.9 Å²	32.9	31%	0.308	16%	0.161	S	C	.	.			trans	-72.1	161.8	163.5	87.6	0	0	0	0	111.2	Q813 D814 K815	S811-Q813 PolarHBondContact O-N 3.15Å; S811-Q813 PolarHBondContact OG-N 3.27Å; S811-D814 PolarHBondContact N-OD2 2.88Å; S811-D814 WeakPolarHBondContact O-CB 3.48Å; S811-D814 PolarHBondContact O-N 2.67Å; S811-D814 PolarHBondContact OG-N 2.81Å; S811-D814 PolarHBondContact OG-OD1 3.09Å; S811-D814 PolarHBondContact OG-OD2 3.29Å; S811-K815 PolarHBondContact O-N 3.14Å; S811-K815 VanDerWaalsContact O-N 3.13Å
812	P	81.4	Confident	89.9	Confident	56 Å²	56	32.2 Å²	32.2	36%	0.364	16%	0.158	S	C	.	.	H	α-helix	trans	-53.4	-39.8	170	-26.2	35.9	0	0	0	112.3	D814 K815 Y816 N842	P812-D814 VanDerWaalsContact C-N 3.3Å; P812-D814 PolarHBondContact O-N 2.92Å; P812-K815 PolarHBondContact O-N 3.17Å; P812-Y816 PolarHBondContact O-N 3.09Å; P812-N842 HydrophobicContact CB-CB 4.32Å; P812-N842 HydrophobicContact CG-CB 3.86Å; P812-N842 WeakPolarHBondContact CG-OD1 3.47Å
813	Q	84.1	Confident	89.9	Confident	102 Å²	102	30.7 Å²	30.7	48%	0.477	15%	0.148	S	C	.	.	H	α-helix	trans	-68.5	-27.5	177.5	-174.8	58.4	74.1	0	0	112.7	S811 Y816 T817	S811-Q813 PolarHBondContact O-N 3.15Å; S811-Q813 PolarHBondContact OG-N 3.27Å; Q813-Y816 VanDerWaalsContact NE2-CD1 3.28Å; Q813-T817 PolarHBondContact NE2-OG1 3.34Å; Q813-T817 WeakPolarHBondContact O-CB 3.25Å; Q813-T817 PolarHBondContact O-N 3.04Å; Q813-T817 PolarHBondContact O-OG1 2.72Å
814	D	89.3	Confident	89.7	Confident	9 Å²	9	29.6 Å²	29.6	5%	0.048	15%	0.145	C	C	.	.	H	α-helix	trans	-73.4	-42.3	175.8	-53.6	-9.8	0	0	0	110.1	G777 F780 N781 L807 S811 P812 T817 L818	G777-D814 VanDerWaalsContact CA-OD2 3.28Å; G777-D814 WeakPolarHBondContact CA-OD2 3.5Å; F780-D814 HydrophobicContact CD1-CB 4.3Å; F780-D814 HydrophobicContact CE1-CB 4.4Å; N781-D814 VanDerWaalsContact ND2-CG 3.26Å; N781-D814 PolarHBondContact ND2-OD1 3.36Å; L807-D814 HydrophobicContact CD2-CB 4.28Å; S811-D814 PolarHBondContact N-OD2 2.88Å; S811-D814 WeakPolarHBondContact O-CB 3.48Å; S811-D814 PolarHBondContact O-N 2.67Å; S811-D814 PolarHBondContact OG-N 2.81Å; S811-D814 PolarHBondContact OG-OD1 3.09Å; S811-D814 PolarHBondContact OG-OD2 3.29Å; P812-D814 VanDerWaalsContact C-N 3.3Å; P812-D814 PolarHBondContact O-N 2.92Å; D814-T817 PolarHBondContact O-N 3.42Å; D814-L818 WeakPolarHBondContact O-CB 3.46Å; D814-L818 PolarHBondContact O-N 2.67Å
815	K	88.2	Confident	89.3	Confident	6 Å²	6	29.6 Å²	29.6	3%	0.026	15%	0.145	C	C	.	.	H	α-helix	trans	-60.1	-48.2	174.1	-169.7	179.9	-74.4	-172	0	110.4	D497 V748 S811 P812 T817 L818 V819 D843 A846	D497-K815 IonicContact OD1-NZ 3.71Å; D497-K815 PolarHBondContact OD1-NZ 2.72Å; V748-K815 HydrophobicContact CB-CG 4.47Å; V748-K815 HydrophobicContact CG1-CB 3.96Å; V748-K815 HydrophobicContact CG1-CD 4.4Å; V748-K815 HydrophobicContact CG1-CG 3.9Å; S811-K815 PolarHBondContact O-N 3.14Å; S811-K815 VanDerWaalsContact O-N 3.13Å; P812-K815 PolarHBondContact O-N 3.17Å; K815-T817 PolarHBondContact O-N 3.36Å; K815-L818 PolarHBondContact O-N 3.01Å; K815-V819 VanDerWaalsContact O-CG2 3.28Å; K815-V819 WeakPolarHBondContact O-CG2 3.42Å; K815-V819 PolarHBondContact O-N 3.42Å; K815-D843 WeakPolarHBondContact CE-OD1 3.33Å; K815-D843 IonicContact NZ-OD1 3.47Å; K815-D843 PolarHBondContact NZ-OD1 2.98Å; K815-D843 IonicContact NZ-OD2 2.67Å; K815-A846 HydrophobicContact CB-CB 4.26Å; K815-A846 HydrophobicContact CD-CB 3.89Å; K815-A846 HydrophobicContact CG-CB 3.7Å
816	Y	89.3	Confident	88.7	Confident	88 Å²	88	33.6 Å²	33.6	35%	0.345	17%	0.165	S	C	.	.	H	α-helix	trans	-58.3	-45.7	172.5	175.4	-83.8	0	0	0	112.8	P812 Q813 V819 S820 P845 K849	P812-Y816 PolarHBondContact O-N 3.09Å; Q813-Y816 VanDerWaalsContact NE2-CD1 3.28Å; Y816-V819 PolarHBondContact O-N 3.31Å; Y816-S820 VanDerWaalsContact CE1-OG 3.27Å; Y816-S820 WeakPolarHBondContact CE1-OG 3.29Å; Y816-S820 VanDerWaalsContact O-CB 3.3Å; Y816-S820 WeakPolarHBondContact O-CB 3.41Å; Y816-S820 PolarHBondContact O-N 3.29Å; Y816-S820 PolarHBondContact O-OG 2.83Å; Y816-P845 HydrophobicContact CD2-CB 4.23Å; Y816-P845 WeakPolarHBondContact CD2-O 3.36Å; Y816-K849 HydrophobicContact CD2-CB 3.96Å; Y816-K849 HydrophobicContact CD2-CG 4.11Å; Y816-K849 HydrophobicContact CE2-CB 3.68Å; Y816-K849 HydrophobicContact CE2-CD 4.34Å; Y816-K849 HydrophobicContact CE2-CG 3.67Å
817	T	91.2	Very high	88.1	Confident	9 Å²	9	37.7 Å²	37.7	6%	0.055	19%	0.186	C	C	.	.	H	α-helix	trans	-64.8	-40.1	-178.1	-66.8	0	0	0	0	111.7	F780 V784 V792 M797 Q813 D814 K815 G821	F780-T817 HydrophobicContact CE1-CG2 4.05Å; F780-T817 HydrophobicContact CZ-CG2 4.24Å; V784-T817 HydrophobicContact CG2-CG2 4.43Å; V792-T817 HydrophobicContact CG1-CG2 4.15Å; V792-T817 HydrophobicContact CG2-CG2 3.76Å; M797-T817 HydrophobicContact CE-CG2 3.72Å; Q813-T817 PolarHBondContact NE2-OG1 3.34Å; Q813-T817 WeakPolarHBondContact O-CB 3.25Å; Q813-T817 PolarHBondContact O-N 3.04Å; Q813-T817 PolarHBondContact O-OG1 2.72Å; D814-T817 PolarHBondContact O-N 3.42Å; K815-T817 PolarHBondContact O-N 3.36Å; T817-G821 PolarHBondContact O-N 3.1Å
818	L	92.7	Very high	87.2	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-65.9	-48.9	175.2	179	61.2	0	0	0	111.7	V748 F780 W801 L804 L807 D814 K815 S820 G821 I822	V748-L818 HydrophobicContact CG2-CD2 3.81Å; F780-L818 HydrophobicContact CE1-CB 4.32Å; F780-L818 HydrophobicContact CE2-CD1 4.03Å; F780-L818 HydrophobicContact CZ-CB 3.79Å; F780-L818 HydrophobicContact CZ-CD1 4.06Å; F780-L818 HydrophobicContact CZ-CG 4.49Å; W801-L818 HydrophobicContact CB-CD1 4.12Å; L804-L818 HydrophobicContact CD2-CD1 3.82Å; L804-L818 HydrophobicContact CD2-CD2 4.04Å; L807-L818 HydrophobicContact CD2-CD2 4.05Å; D814-L818 WeakPolarHBondContact O-CB 3.46Å; D814-L818 PolarHBondContact O-N 2.67Å; K815-L818 PolarHBondContact O-N 3.01Å; L818-S820 VanDerWaalsContact C-N 3.33Å; L818-S820 PolarHBondContact O-N 2.86Å; L818-G821 PolarHBondContact O-N 2.99Å; L818-I822 HydrophobicContact CD1-CD1 3.84Å; L818-I822 HydrophobicContact CD1-CG1 4.14Å; L818-I822 HydrophobicContact CG-CD1 3.94Å; L818-I822 WeakPolarHBondContact O-CG1 3.4Å; L818-I822 PolarHBondContact O-N 2.98Å
819	V	92	Very high	86.1	Confident	1 Å²	1	42 Å²	42	1%	0.006	21%	0.214	C	C	.	.	H	α-helix	trans	-60.6	-44.4	179.3	171.7	0	0	0	0	110.7	C495 K815 Y816 I822 I823 V834 V836 K849	C495-V819 HydrophobicContact CB-CG2 4.37Å; K815-V819 VanDerWaalsContact O-CG2 3.28Å; K815-V819 WeakPolarHBondContact O-CG2 3.42Å; K815-V819 PolarHBondContact O-N 3.42Å; Y816-V819 PolarHBondContact O-N 3.31Å; V819-I822 PolarHBondContact O-N 2.82Å; V819-I823 HydrophobicContact CG1-CD1 3.86Å; V819-I823 VanDerWaalsContact O-CG1 3.31Å; V819-I823 WeakPolarHBondContact O-CG1 3.41Å; V819-I823 PolarHBondContact O-N 2.88Å; V819-I823 VanDerWaalsContact O-N 3.1Å; V819-V834 HydrophobicContact CG1-CG1 4.2Å; V819-V834 HydrophobicContact CG2-CG1 4.5Å; V819-V836 HydrophobicContact CB-CG2 4.35Å; V819-V836 HydrophobicContact CG1-CG2 3.87Å; V819-V836 HydrophobicContact CG2-CG2 3.47Å; V819-V836 VanDerWaalsContact CG2-CG2 3.47Å; V819-K849 HydrophobicContact CG1-CG 4.42Å
820	S	90.4	Very high	85.2	Confident	16 Å²	16	39.9 Å²	39.9	11%	0.112	21%	0.206	C	C	.	.	H	α-helix	trans	-57.7	-50.6	172.8	-56.3	0	0	0	0	111.9	Y816 L818 I822 I823 D824 K849	Y816-S820 VanDerWaalsContact CE1-OG 3.27Å; Y816-S820 WeakPolarHBondContact CE1-OG 3.29Å; Y816-S820 VanDerWaalsContact O-CB 3.3Å; Y816-S820 WeakPolarHBondContact O-CB 3.41Å; Y816-S820 PolarHBondContact O-N 3.29Å; Y816-S820 PolarHBondContact O-OG 2.83Å; L818-S820 VanDerWaalsContact C-N 3.33Å; L818-S820 PolarHBondContact O-N 2.86Å; S820-I822 VanDerWaalsContact C-N 3.31Å; S820-I822 PolarHBondContact O-N 3.03Å; S820-I823 PolarHBondContact O-N 3.44Å; S820-D824 WeakPolarHBondContact O-CB 3.16Å; S820-D824 PolarHBondContact O-N 3.33Å; S820-K849 VanDerWaalsContact CA-CE 3.49Å; S820-K849 VanDerWaalsContact CB-CE 3.5Å; S820-K849 WeakPolarHBondContact OG-CE 3.23Å
821	G	90.3	Very high	85	Confident	3 Å²	3	42.1 Å²	42.1	3%	0.031	21%	0.212	C	C	.	.	H	α-helix	trans	-60.5	-35.2	-178	0	0	0	0	0	114.3	Q794 T817 L818 S825	Q794-G821 PolarHBondContact NE2-O 3.2Å; T817-G821 PolarHBondContact O-N 3.1Å; L818-G821 PolarHBondContact O-N 2.99Å; G821-S825 WeakPolarHBondContact O-CB 3.29Å; G821-S825 PolarHBondContact O-N 2.68Å
822	I	91.7	Very high	85.1	Confident	0 Å²	0	41 Å²	41	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-75.6	-44.5	176.6	-60.5	166	0	0	0	110.7	W801 L818 V819 S820 D824 S825 E832 V834	W801-I822 HydrophobicContact CB-CG1 3.91Å; W801-I822 HydrophobicContact CD2-CB 4.47Å; W801-I822 HydrophobicContact CD2-CG1 3.83Å; W801-I822 HydrophobicContact CD2-CG2 4.37Å; W801-I822 HydrophobicContact CE3-CB 4.43Å; W801-I822 HydrophobicContact CE3-CD1 4.37Å; W801-I822 HydrophobicContact CE3-CG1 3.81Å; W801-I822 HydrophobicContact CE3-CG2 3.96Å; W801-I822 HydrophobicContact CG-CG1 3.85Å; W801-I822 HydrophobicContact CH2-CG2 4.5Å; W801-I822 HydrophobicContact CZ3-CG2 4.03Å; L818-I822 HydrophobicContact CD1-CD1 3.84Å; L818-I822 HydrophobicContact CD1-CG1 4.14Å; L818-I822 HydrophobicContact CG-CD1 3.94Å; L818-I822 WeakPolarHBondContact O-CG1 3.4Å; L818-I822 PolarHBondContact O-N 2.98Å; V819-I822 PolarHBondContact O-N 2.82Å; S820-I822 VanDerWaalsContact C-N 3.31Å; S820-I822 PolarHBondContact O-N 3.03Å; I822-D824 PolarHBondContact O-N 3.33Å; I822-S825 VanDerWaalsContact O-CB 3.29Å; I822-S825 WeakPolarHBondContact O-CB 3.28Å; I822-S825 PolarHBondContact O-N 2.91Å; I822-E832 HydrophobicContact CG2-CB 3.76Å; I822-E832 HydrophobicContact CG2-CG 3.89Å; I822-V834 HydrophobicContact CB-CG2 3.84Å; I822-V834 HydrophobicContact CG2-CG2 3.4Å
823	I	88.4	Confident	85.5	Confident	11 Å²	11	38.5 Å²	38.5	6%	0.056	19%	0.186	C	C	.	.	H	α-helix	trans	-62.3	-45.7	179.1	-68.4	170.7	0	0	0	110.8	V819 S820 S825 R831 V834 K849	V819-I823 HydrophobicContact CG1-CD1 3.86Å; V819-I823 VanDerWaalsContact O-CG1 3.31Å; V819-I823 WeakPolarHBondContact O-CG1 3.41Å; V819-I823 PolarHBondContact O-N 2.88Å; V819-I823 VanDerWaalsContact O-N 3.1Å; S820-I823 PolarHBondContact O-N 3.44Å; I823-S825 PolarHBondContact O-N 2.9Å; I823-R831 PolarHBondContact O-NH2 2.92Å; I823-V834 HydrophobicContact CD1-CB 4.18Å; I823-V834 HydrophobicContact CD1-CG2 4.45Å; I823-V834 HydrophobicContact CG1-CB 3.81Å; I823-V834 HydrophobicContact CG1-CG2 3.56Å; I823-K849 WeakPolarHBondContact CD1-O 3.48Å
824	D	86.9	Confident	85.9	Confident	71 Å²	71	33.6 Å²	33.6	38%	0.38	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	3.6	-177	-62.4	-47.8	0	0	0	112.7	S820 I822 H826 K849	S820-D824 WeakPolarHBondContact O-CB 3.16Å; S820-D824 PolarHBondContact O-N 3.33Å; I822-D824 PolarHBondContact O-N 3.33Å; D824-H826 PolarHBondContact O-CD2 3.2Å; D824-K849 IonicContact OD2-NZ 2.69Å; D824-K849 PolarHBondContact OD2-NZ 2.76Å
825	S	86.4	Confident	86.2	Confident	2 Å²	2	33.2 Å²	33.2	1%	0.014	16%	0.161	C	C	.	.			trans	-69.5	150.3	172.1	-171.3	0	0	0	0	113.1	D798 W801 G821 I822 I823	D798-S825 VanDerWaalsContact OD1-CB 3.24Å; D798-S825 WeakPolarHBondContact OD1-CB 3.48Å; D798-S825 PolarHBondContact OD1-OG 2.89Å; W801-S825 WeakPolarHBondContact CZ2-OG 3.38Å; W801-S825 PolarHBondContact NE1-OG 2.87Å; W801-S825 VanDerWaalsContact NE1-OG 3.11Å; G821-S825 WeakPolarHBondContact O-CB 3.29Å; G821-S825 PolarHBondContact O-N 2.68Å; I822-S825 VanDerWaalsContact O-CB 3.29Å; I822-S825 WeakPolarHBondContact O-CB 3.28Å; I822-S825 PolarHBondContact O-N 2.91Å; I823-S825 PolarHBondContact O-N 2.9Å
826	H	82.2	Confident	86.4	Confident	131 Å²	131	33 Å²	33	61%	0.606	16%	0.16	S	C	*	.			trans	-125.7	7.5	-179.5	-86.8	-88.3	0	0	0	114.4	D824	D824-H826 PolarHBondContact O-CD2 3.2Å
827	I	81.1	Confident	86.6	Confident	85 Å²	85	28.8 Å²	28.8	44%	0.436	14%	0.144	S	C	.	.	S	Bend	trans	-58.6	-51.1	177.4	-55.4	169.2	0	0	0	110.6	D798 W801 P802	D798-I827 HydrophobicContact CB-CD1 3.54Å; D798-I827 HydrophobicContact CB-CG1 3.83Å; D798-I827 VanDerWaalsContact O-CD1 3.24Å; D798-I827 WeakPolarHBondContact O-CD1 3.39Å; W801-I827 HydrophobicContact CZ2-CD1 3.9Å; P802-I827 HydrophobicContact CG-CD1 3.62Å
828	S	76.1	Confident	86.3	Confident	34 Å²	34	28.4 Å²	28.4	24%	0.238	14%	0.141	C	C	.	.	S	Bend	trans	-81	118	177.8	175.3	0	0	0	0	109.9	R830 R831 E832	S828-R830 PolarHBondContact O-N 2.81Å; S828-R830 VanDerWaalsContact O-N 3.07Å; S828-R831 WeakPolarHBondContact O-CA 3.49Å; S828-R831 PolarHBondContact O-N 3.38Å; S828-E832 WeakPolarHBondContact CB-OE1 3.19Å; S828-E832 PolarHBondContact OG-OE1 2.83Å
829	T	69.2	Low	85.7	Confident	57 Å²	57	29.6 Å²	29.6	35%	0.35	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-28.2	174.3	62.3	0	0	0	0	112.6	R831 T962 E1186	T829-R831 VanDerWaalsContact C-N 3.3Å; T829-T962 WeakPolarHBondContact O-CG2 3.48Å; T829-T962 PolarHBondContact O-OG1 3.26Å; T829-T962 VanDerWaalsContact O-OG1 3.07Å; T829-E1186 VanDerWaalsContact OG1-CD 3.3Å; T829-E1186 PolarHBondContact OG1-OE2 3.06Å
830	R	68	Low	84.7	Confident	95 Å²	95	30.2 Å²	30.2	36%	0.358	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-22	-179.8	-59.2	177.9	-177.1	157.5	6.3	112.1	S828 R961 T962 E1186	S828-R830 PolarHBondContact O-N 2.81Å; S828-R830 VanDerWaalsContact O-N 3.07Å; R830-R961 WeakPolarHBondContact O-CB 3.33Å; R830-R961 PolarHBondContact O-N 2.76Å; R830-T962 WeakPolarHBondContact CA-OG1 3.33Å; R830-T962 PolarHBondContact O-N 2.89Å; R830-E1186 IonicContact CZ-OE1 2.76Å; R830-E1186 IonicContact NE-OE1 2.67Å; R830-E1186 PolarHBondContact NE-OE1 3.44Å; R830-E1186 IonicContact NH2-OE1 2.81Å; R830-E1186 PolarHBondContact NH2-OE1 3.48Å
831	R	81.8	Confident	83.8	Confident	63 Å²	63	30.1 Å²	30.1	24%	0.238	15%	0.153	C	C	.	.			trans	53.2	141.2	-165.5	-73.2	-171.2	69	-175.5	0.6	114.2	I823 S828 T829 R961	I823-R831 PolarHBondContact O-NH2 2.92Å; S828-R831 WeakPolarHBondContact O-CA 3.49Å; S828-R831 PolarHBondContact O-N 3.38Å; T829-R831 VanDerWaalsContact C-N 3.3Å; R831-R961 HydrophobicContact CB-CB 4.24Å; R831-R961 HydrophobicContact CB-CG 4.04Å
832	E	86.4	Confident	83	Confident	21 Å²	21	34.7 Å²	34.7	10%	0.098	18%	0.177	C	C	.	.			trans	-70.8	153	-178.3	-57.6	-54.4	114.5	0	0	112.4	T492 W801 I822 S828 V834 R961	T492-E832 WeakPolarHBondContact CB-OE2 3.24Å; T492-E832 WeakPolarHBondContact OG1-CA 3.04Å; T492-E832 PolarHBondContact OG1-OE2 3.11Å; W801-E832 HydrophobicContact CH2-CG 3.52Å; W801-E832 HydrophobicContact CZ2-CG 4.16Å; W801-E832 HydrophobicContact CZ3-CG 4.07Å; I822-E832 HydrophobicContact CG2-CB 3.76Å; I822-E832 HydrophobicContact CG2-CG 3.89Å; S828-E832 WeakPolarHBondContact CB-OE1 3.19Å; S828-E832 PolarHBondContact OG-OE1 2.83Å; E832-V834 HydrophobicContact CB-CG2 4.46Å; E832-R961 WeakPolarHBondContact O-CD 3.34Å; E832-R961 PolarHBondContact O-NH1 3.2Å
833	V	89.8	Confident	82.5	Confident	3 Å²	3	35.1 Å²	35.1	2%	0.018	18%	0.179	C	C	.	.			trans	-126	114.3	170.4	177	0	0	0	0	107	T487 N490 T492 A493 D851 R961	T487-V833 HydrophobicContact CG2-CG1 3.84Å; N490-V833 HydrophobicContact CB-CG2 4.24Å; N490-V833 WeakPolarHBondContact O-CB 3.34Å; T492-V833 PolarHBondContact N-O 2.73Å; T492-V833 PolarHBondContact OG1-N 2.61Å; T492-V833 PolarHBondContact OG1-O 3.15Å; A493-V833 PolarHBondContact N-O 2.96Å; V833-D851 WeakPolarHBondContact CA-OD2 3.08Å; V833-D851 HydrophobicContact CG1-CB 3.79Å; V833-R961 HydrophobicContact CG2-CG 3.52Å
834	V	92.5	Very high	82	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	116.9	-167.2	-174.3	0	0	0	0	110.8	A493 V819 I822 I823 E832 V836 D851 V852	A493-V834 HydrophobicContact CB-CG2 4.48Å; V819-V834 HydrophobicContact CG1-CG1 4.2Å; V819-V834 HydrophobicContact CG2-CG1 4.5Å; I822-V834 HydrophobicContact CB-CG2 3.84Å; I822-V834 HydrophobicContact CG2-CG2 3.4Å; I823-V834 HydrophobicContact CD1-CB 4.18Å; I823-V834 HydrophobicContact CD1-CG2 4.45Å; I823-V834 HydrophobicContact CG1-CB 3.81Å; I823-V834 HydrophobicContact CG1-CG2 3.56Å; E832-V834 HydrophobicContact CB-CG2 4.46Å; V834-V836 HydrophobicContact CG1-CG2 4.24Å; V834-D851 PolarHBondContact N-OD2 3.08Å; V834-D851 PolarHBondContact O-N 3.05Å; V834-V852 PolarHBondContact O-N 2.74Å
835	A	94.6	Very high	81.7	Confident	1 Å²	1	35 Å²	35	1%	0.008	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	144.3	165.5	0	0	0	0	0	110.6	M488 A493 I494 C495 V852 F854	M488-A835 HydrophobicContact CE-CB 3.89Å; M488-A835 HydrophobicContact SD-CB 3.79Å; A493-A835 PolarHBondContact O-N 2.68Å; I494-A835 CarbonylContact C-O 3.49Å; I494-A835 WeakPolarHBondContact CA-O 3.36Å; I494-A835 HydrophobicContact CG1-CB 4.19Å; C495-A835 PolarHBondContact N-O 2.99Å; A835-V852 CarbonylContact C-O 3.55Å; A835-V852 VanDerWaalsContact CA-O 3.22Å; A835-V852 WeakPolarHBondContact CA-O 2.93Å; A835-V852 HydrophobicContact CB-CB 4.42Å; A835-F854 HydrophobicContact CB-CD2 4.4Å; A835-F854 HydrophobicContact CB-CE2 4.05Å
836	V	94.5	Very high	81.7	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	141.2	179.1	179.4	0	0	0	0	109.7	C495 V819 V834 A846 L847 A850 V852 F854	C495-V836 HydrophobicContact CB-CG2 4.28Å; C495-V836 WeakPolarHBondContact O-CA 3.34Å; V819-V836 HydrophobicContact CB-CG2 4.35Å; V819-V836 HydrophobicContact CG1-CG2 3.87Å; V819-V836 HydrophobicContact CG2-CG2 3.47Å; V819-V836 VanDerWaalsContact CG2-CG2 3.47Å; V834-V836 HydrophobicContact CG1-CG2 4.24Å; V836-A846 HydrophobicContact CG1-CB 4.34Å; V836-L847 HydrophobicContact CB-CD2 4.27Å; V836-L847 HydrophobicContact CG1-CD2 4.03Å; V836-L847 HydrophobicContact CG1-CG 4.48Å; V836-A850 HydrophobicContact CB-CB 3.96Å; V836-A850 HydrophobicContact CG2-CB 3.56Å; V836-V852 PolarHBondContact N-O 3.33Å; V836-F854 PolarHBondContact O-N 3.38Å
837	T	92.8	Very high	81.9	Confident	1 Å²	1	28.7 Å²	28.7	1%	0.006	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	150.4	167.8	84.6	0	0	0	0	111.4	I494 C495 S496 D497 T501 F854 I880	I494-T837 HydrophobicContact CG2-CG2 4.49Å; C495-T837 PolarHBondContact O-N 3.3Å; S496-T837 WeakPolarHBondContact CA-OG1 3.47Å; S496-T837 PolarHBondContact OG-OG1 2.93Å; D497-T837 PolarHBondContact N-OG1 3.3Å; T501-T837 HydrophobicContact CG2-CG2 4.16Å; T501-T837 WeakPolarHBondContact CG2-OG1 3.3Å; T501-T837 PolarHBondContact OG1-OG1 3.06Å; T837-F854 WeakPolarHBondContact CA-O 3.34Å; T837-F854 HydrophobicContact CG2-CB 4.25Å; T837-I880 HydrophobicContact CG2-CD1 3.65Å
838	G	83.9	Confident	82.1	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.9	159.5	174.7	0	0	0	0	0	113.5	D843 F854 M856	G838-D843 WeakPolarHBondContact CA-OD2 3.31Å; G838-F854 PolarHBondContact N-O 2.89Å; G838-F854 VanDerWaalsContact N-O 3.09Å; G838-M856 PolarHBondContact O-N 3.5Å
839	D	81	Confident	82.7	Confident	26 Å²	26	31 Å²	31	14%	0.139	16%	0.158	C	C	.	.			trans	-125.1	-32.8	173.9	68.5	-11.6	0	0	0	112.4	D843 M856 T861	D839-D843 PolarHBondContact N-OD2 2.93Å; D839-M856 HydrophobicContact CB-CB 4.19Å; D839-M856 HydrophobicContact CB-CG 3.85Å; D839-T861 WeakPolarHBondContact O-CB 3.45Å; D839-T861 PolarHBondContact O-N 3.18Å; D839-T861 PolarHBondContact O-OG1 2.93Å
840	G	70.2	Confident	83.7	Confident	15 Å²	15	29.1 Å²	29.1	16%	0.155	15%	0.148	C	C	.	.	S	Bend	trans	-84.5	159.7	-177.6	0	0	0	0	0	115.3	N842 D843 T861	G840-N842 PolarHBondContact O-N 2.83Å; G840-D843 PolarHBondContact N-OD2 3.4Å; G840-D843 WeakPolarHBondContact O-CB 3.48Å; G840-D843 PolarHBondContact O-N 3.29Å; G840-T861 VanDerWaalsContact C-OG1 3.32Å
841	T	71.6	Confident	84.8	Confident	13 Å²	13	26 Å²	26	8%	0.08	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-51.7	-39.3	170	54.3	0	0	0	0	112.2	G183 D843 G844 T861 V863	G183-T841 VanDerWaalsContact CA-CG2 3.47Å; T841-D843 PolarHBondContact O-N 3.28Å; T841-D843 VanDerWaalsContact O-N 3.12Å; T841-G844 PolarHBondContact O-N 3.1Å; T841-G844 VanDerWaalsContact O-N 3.09Å; T841-T861 HydrophobicContact CG2-CG2 4.22Å; T841-T861 PolarHBondContact N-OG1 3.18Å; T841-V863 HydrophobicContact CG2-CB 3.97Å; T841-V863 HydrophobicContact CG2-CG1 4.41Å; T841-V863 HydrophobicContact CG2-CG2 3.78Å
842	N	74.4	Confident	85.3	Confident	99 Å²	99	23 Å²	23	53%	0.529	13%	0.127	S	C	.	.	G	3₁₀ helix	trans	-51.8	-26.5	173.2	-74	-44.2	0	0	0	114.7	P812 G840	P812-N842 HydrophobicContact CB-CB 4.32Å; P812-N842 HydrophobicContact CG-CB 3.86Å; P812-N842 WeakPolarHBondContact CG-OD1 3.47Å; G840-N842 PolarHBondContact O-N 2.83Å
843	D	80.1	Confident	85.6	Confident	9 Å²	9	22 Å²	22	5%	0.048	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-85.9	-17.7	-177.7	-62	-35.6	0	0	0	112.8	K815 G838 D839 G840 T841 A846 L847	K815-D843 WeakPolarHBondContact CE-OD1 3.33Å; K815-D843 IonicContact NZ-OD1 3.47Å; K815-D843 PolarHBondContact NZ-OD1 2.98Å; K815-D843 IonicContact NZ-OD2 2.67Å; G838-D843 WeakPolarHBondContact CA-OD2 3.31Å; D839-D843 PolarHBondContact N-OD2 2.93Å; G840-D843 PolarHBondContact N-OD2 3.4Å; G840-D843 WeakPolarHBondContact O-CB 3.48Å; G840-D843 PolarHBondContact O-N 3.29Å; T841-D843 PolarHBondContact O-N 3.28Å; T841-D843 VanDerWaalsContact O-N 3.12Å; D843-A846 PolarHBondContact O-N 2.87Å; D843-L847 HydrophobicContact CB-CD1 3.9Å; D843-L847 HydrophobicContact CB-CG 4.21Å; D843-L847 WeakPolarHBondContact O-CG 3.32Å; D843-L847 PolarHBondContact O-N 2.62Å
844	G	77.8	Confident	85.8	Confident	8 Å²	8	21.9 Å²	21.9	8%	0.082	12%	0.122	C	C	.	.	H	α-helix	trans	-47.4	-51.4	-176.8	0	0	0	0	0	114.4	T841 A846 L847 K848	T841-G844 PolarHBondContact O-N 3.1Å; T841-G844 VanDerWaalsContact O-N 3.09Å; G844-A846 VanDerWaalsContact C-N 3.32Å; G844-A846 PolarHBondContact O-N 3.04Å; G844-L847 PolarHBondContact O-N 3.01Å; G844-K848 WeakPolarHBondContact O-CB 3.26Å; G844-K848 PolarHBondContact O-N 3.23Å
845	P	81.2	Confident	85.6	Confident	72 Å²	72	21.9 Å²	21.9	47%	0.468	12%	0.122	S	C	.	.	H	α-helix	trans	-61.6	-35.3	177.6	-25.1	35.4	0	0	0	113.9	Y816 K849	Y816-P845 HydrophobicContact CD2-CB 4.23Å; Y816-P845 WeakPolarHBondContact CD2-O 3.36Å; P845-K849 WeakPolarHBondContact O-CB 3.01Å; P845-K849 PolarHBondContact O-N 3.09Å
846	A	86.4	Confident	85.2	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-78.1	-39.5	179.6	0	0	0	0	0	112	K815 V836 D843 G844 K849 A850	K815-A846 HydrophobicContact CB-CB 4.26Å; K815-A846 HydrophobicContact CD-CB 3.89Å; K815-A846 HydrophobicContact CG-CB 3.7Å; V836-A846 HydrophobicContact CG1-CB 4.34Å; D843-A846 PolarHBondContact O-N 2.87Å; G844-A846 VanDerWaalsContact C-N 3.32Å; G844-A846 PolarHBondContact O-N 3.04Å; A846-K849 PolarHBondContact O-N 3.07Å; A846-A850 PolarHBondContact O-N 3.4Å; A846-A850 VanDerWaalsContact O-N 3.14Å
847	L	87.4	Confident	84.3	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-58.8	-47.2	171.8	-71.1	168.1	0	0	0	110.7	V836 D843 G844 K849 A850 F854 A864 A867	V836-L847 HydrophobicContact CB-CD2 4.27Å; V836-L847 HydrophobicContact CG1-CD2 4.03Å; V836-L847 HydrophobicContact CG1-CG 4.48Å; D843-L847 HydrophobicContact CB-CD1 3.9Å; D843-L847 HydrophobicContact CB-CG 4.21Å; D843-L847 WeakPolarHBondContact O-CG 3.32Å; D843-L847 PolarHBondContact O-N 2.62Å; G844-L847 PolarHBondContact O-N 3.01Å; L847-K849 VanDerWaalsContact C-N 3.31Å; L847-K849 PolarHBondContact O-N 2.88Å; L847-A850 VanDerWaalsContact O-CB 3.29Å; L847-A850 WeakPolarHBondContact O-CB 3.35Å; L847-A850 PolarHBondContact O-N 3.48Å; L847-F854 VanDerWaalsContact CD2-O 3.3Å; L847-F854 WeakPolarHBondContact CD2-O 3.18Å; L847-A864 HydrophobicContact CD1-CB 3.97Å; L847-A867 HydrophobicContact CB-CB 4.01Å; L847-A867 HydrophobicContact CD1-CB 4.37Å
848	K	83.9	Confident	83.5	Confident	112 Å²	112	28.7 Å²	28.7	49%	0.487	16%	0.16	S	C	.	.	H	α-helix	trans	-73.7	-16.8	-177.7	-152.6	65.1	167.7	-173.7	0	114.8	G844 A867	G844-K848 WeakPolarHBondContact O-CB 3.26Å; G844-K848 PolarHBondContact O-N 3.23Å; K848-A867 WeakPolarHBondContact CD-O 3.28Å
849	K	88.9	Confident	82.9	Confident	56 Å²	56	30.6 Å²	30.6	24%	0.243	18%	0.176	C	C	.	.	H	α-helix	trans	-95.5	-11.4	174.9	173.8	58	-178.4	168.7	0	112.8	Y816 V819 S820 I823 D824 P845 A846 L847	Y816-K849 HydrophobicContact CD2-CB 3.96Å; Y816-K849 HydrophobicContact CD2-CG 4.11Å; Y816-K849 HydrophobicContact CE2-CB 3.68Å; Y816-K849 HydrophobicContact CE2-CD 4.34Å; Y816-K849 HydrophobicContact CE2-CG 3.67Å; V819-K849 HydrophobicContact CG1-CG 4.42Å; S820-K849 VanDerWaalsContact CA-CE 3.49Å; S820-K849 VanDerWaalsContact CB-CE 3.5Å; S820-K849 WeakPolarHBondContact OG-CE 3.23Å; I823-K849 WeakPolarHBondContact CD1-O 3.48Å; D824-K849 IonicContact OD2-NZ 2.69Å; D824-K849 PolarHBondContact OD2-NZ 2.76Å; P845-K849 WeakPolarHBondContact O-CB 3.01Å; P845-K849 PolarHBondContact O-N 3.09Å; A846-K849 PolarHBondContact O-N 3.07Å; L847-K849 VanDerWaalsContact C-N 3.31Å; L847-K849 PolarHBondContact O-N 2.88Å
850	A	90.8	Very high	82.4	Confident	17 Å²	17	29.8 Å²	29.8	14%	0.14	17%	0.173	C	C	.	.	S	Bend	trans	-62.9	166.6	174.1	0	0	0	0	0	112.2	V836 A846 L847	V836-A850 HydrophobicContact CB-CB 3.96Å; V836-A850 HydrophobicContact CG2-CB 3.56Å; A846-A850 PolarHBondContact O-N 3.4Å; A846-A850 VanDerWaalsContact O-N 3.14Å; L847-A850 VanDerWaalsContact O-CB 3.29Å; L847-A850 WeakPolarHBondContact O-CB 3.35Å; L847-A850 PolarHBondContact O-N 3.48Å
851	D	90.6	Very high	82.6	Confident	30 Å²	30	30 Å²	30	16%	0.16	17%	0.171	C	C	.	.	S	Bend	trans	-80	-24.3	162	-67.3	-65.6	0	0	0	111.8	T487 V833 V834 R961	T487-D851 HydrophobicContact CG2-CB 3.92Å; V833-D851 WeakPolarHBondContact CA-OD2 3.08Å; V833-D851 HydrophobicContact CG1-CB 3.79Å; V834-D851 PolarHBondContact N-OD2 3.08Å; V834-D851 PolarHBondContact O-N 3.05Å; D851-R961 IonicContact OD1-CZ 2.67Å; D851-R961 VanDerWaalsContact OD1-CZ 3.25Å; D851-R961 IonicContact OD1-NH1 2.83Å; D851-R961 PolarHBondContact OD1-NH1 3.24Å; D851-R961 IonicContact OD1-NH2 3.95Å; D851-R961 PolarHBondContact OD1-NH2 3.2Å; D851-R961 IonicContact OD2-CZ 2.86Å; D851-R961 IonicContact OD2-NH1 3.87Å; D851-R961 PolarHBondContact OD2-NH1 3.2Å; D851-R961 IonicContact OD2-NH2 3.96Å
852	V	92.3	Very high	82.9	Confident	1 Å²	1	30.6 Å²	30.6	1%	0.006	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	115.5	168.5	-179.4	0	0	0	0	109.9	A484 T487 M488 V834 A835 V836 F854 D869 I870	A484-V852 HydrophobicContact CB-CG1 4.14Å; A484-V852 HydrophobicContact CB-CG2 4.15Å; T487-V852 HydrophobicContact CG2-CG2 4.02Å; M488-V852 HydrophobicContact CB-CG2 4.17Å; M488-V852 HydrophobicContact SD-CB 4.27Å; M488-V852 HydrophobicContact SD-CG1 4.27Å; M488-V852 HydrophobicContact SD-CG2 4.32Å; V834-V852 PolarHBondContact O-N 2.74Å; A835-V852 CarbonylContact C-O 3.55Å; A835-V852 VanDerWaalsContact CA-O 3.22Å; A835-V852 WeakPolarHBondContact CA-O 2.93Å; A835-V852 HydrophobicContact CB-CB 4.42Å; V836-V852 PolarHBondContact N-O 3.33Å; V852-F854 HydrophobicContact CB-CE2 4.32Å; V852-F854 HydrophobicContact CG1-CD2 3.98Å; V852-F854 HydrophobicContact CG1-CE2 3.48Å; V852-F854 VanDerWaalsContact CG1-CE2 3.48Å; V852-F854 HydrophobicContact CG1-CZ 3.97Å; V852-D869 WeakPolarHBondContact CA-OD2 3.33Å; V852-I870 HydrophobicContact CG1-CD1 4.01Å; V852-I870 HydrophobicContact CG1-CG1 4.34Å
853	G	92.3	Very high	82.8	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	132.8	169	0	0	0	0	0	112.3	S868 D869 I870	G853-S868 WeakPolarHBondContact O-CB 3.29Å; G853-D869 PolarHBondContact N-OD2 2.63Å; G853-D869 PolarHBondContact O-N 2.98Å; G853-I870 PolarHBondContact O-N 3.48Å; G853-I870 VanDerWaalsContact O-N 3.09Å
854	F	93.9	Very high	82.8	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	123.2	171.5	-72	-92.7	0	0	0	111.2	M488 A835 V836 T837 G838 L847 V852 I870 L872 I880 A883	M488-F854 HydrophobicContact CE-CE2 3.55Å; M488-F854 HydrophobicContact CE-CZ 3.67Å; M488-F854 HydrophobicContact CG-CE2 4.49Å; M488-F854 HydrophobicContact CG-CZ 4.07Å; M488-F854 HydrophobicContact SD-CE2 3.56Å; M488-F854 VanDerWaalsContact SD-CE2 3.56Å; M488-F854 HydrophobicContact SD-CZ 3.74Å; A835-F854 HydrophobicContact CB-CD2 4.4Å; A835-F854 HydrophobicContact CB-CE2 4.05Å; V836-F854 PolarHBondContact O-N 3.38Å; T837-F854 WeakPolarHBondContact CA-O 3.34Å; T837-F854 HydrophobicContact CG2-CB 4.25Å; G838-F854 PolarHBondContact N-O 2.89Å; G838-F854 VanDerWaalsContact N-O 3.09Å; L847-F854 VanDerWaalsContact CD2-O 3.3Å; L847-F854 WeakPolarHBondContact CD2-O 3.18Å; V852-F854 HydrophobicContact CB-CE2 4.32Å; V852-F854 HydrophobicContact CG1-CD2 3.98Å; V852-F854 HydrophobicContact CG1-CE2 3.48Å; V852-F854 VanDerWaalsContact CG1-CE2 3.48Å; V852-F854 HydrophobicContact CG1-CZ 3.97Å; F854-I870 VanDerWaalsContact CA-O 3.31Å; F854-I870 WeakPolarHBondContact CA-O 3.25Å; F854-I870 HydrophobicContact CD1-CB 3.91Å; F854-I870 HydrophobicContact CD1-CG2 4Å; F854-I870 HydrophobicContact CE1-CB 3.94Å; F854-I870 HydrophobicContact CE1-CD1 3.89Å; F854-I870 HydrophobicContact CE1-CG1 4.45Å; F854-I870 HydrophobicContact CE1-CG2 3.87Å; F854-I870 HydrophobicContact CZ-CD1 3.97Å; F854-L872 HydrophobicContact CD1-CD1 4.35Å; F854-L872 HydrophobicContact CD1-CD2 3.72Å; F854-L872 HydrophobicContact CD1-CG 4.05Å; F854-L872 HydrophobicContact CE1-CD2 4.09Å; F854-I880 HydrophobicContact CD1-CG1 4.18Å; F854-I880 HydrophobicContact CE1-CG1 4.23Å; F854-I880 HydrophobicContact CE1-CG2 4.36Å; F854-I880 HydrophobicContact CE2-CG2 4.19Å; F854-I880 HydrophobicContact CZ-CG2 3.99Å; F854-A883 HydrophobicContact CE1-CB 4.12Å; F854-A883 HydrophobicContact CZ-CB 4.06Å
855	A	88.2	Confident	83	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	150.2	168.1	0	0	0	0	0	112	A864 K865 S868 I870 I871 L872	A855-A864 HydrophobicContact CB-CB 4.33Å; A855-K865 HydrophobicContact CB-CB 4.46Å; A855-K865 HydrophobicContact CB-CG 4.13Å; A855-S868 VanDerWaalsContact CB-OG 3.28Å; A855-S868 WeakPolarHBondContact CB-OG 3.47Å; A855-I870 PolarHBondContact N-O 3.16Å; A855-I871 HydrophobicContact CB-CG1 4.39Å; A855-I871 WeakPolarHBondContact O-CA 3.49Å; A855-L872 PolarHBondContact O-N 3.19Å
856	M	86.5	Confident	82.7	Confident	1 Å²	1	26.5 Å²	26.5	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	132.3	170.4	-52.4	-56.7	-80.8	0	0	109.4	G500 T501 G838 D839 A859 G860 L872 D875	G500-M856 WeakPolarHBondContact O-CE 3.3Å; T501-M856 HydrophobicContact CG2-SD 4.42Å; G838-M856 PolarHBondContact O-N 3.5Å; D839-M856 HydrophobicContact CB-CB 4.19Å; D839-M856 HydrophobicContact CB-CG 3.85Å; M856-A859 HydrophobicContact CB-CB 4.35Å; M856-G860 VanDerWaalsContact O-CA 3.22Å; M856-G860 WeakPolarHBondContact O-CA 3.26Å; M856-G860 PolarHBondContact O-N 3.36Å; M856-L872 HydrophobicContact SD-CD1 4.24Å; M856-D875 HydrophobicContact CE-CB 3.55Å; M856-D875 WeakPolarHBondContact CE-O 3.47Å
857	G	77	Confident	82.3	Confident	15 Å²	15	27.1 Å²	27.1	16%	0.155	15%	0.149	C	C	.	.	S	Bend	trans	-76.6	-39.4	-178.5	0	0	0	0	0	113	K865 L872 D875	G857-K865 WeakPolarHBondContact O-CE 3.48Å; G857-L872 WeakPolarHBondContact CA-O 3.13Å; G857-L872 PolarHBondContact N-O 2.88Å; G857-D875 PolarHBondContact N-OD1 2.93Å
858	I	74.6	Confident	82.2	Confident	128 Å²	128	27.1 Å²	27.1	66%	0.656	15%	0.149	S	C	*	.	S	Bend	trans	-94	-51.4	-173.7	-51	172.4	0	0	0	110.6	D875	I858-D875 PolarHBondContact N-OD1 2.86Å
859	A	71.6	Confident	82.4	Confident	41 Å²	41	23.2 Å²	23.2	34%	0.339	13%	0.133	S	C	.	.	S	Bend	trans	-83	-16.5	179.4	0	0	0	0	0	114.2	M856 D875	M856-A859 HydrophobicContact CB-CB 4.35Å; A859-D875 WeakPolarHBondContact CB-OD2 3.15Å; A859-D875 PolarHBondContact N-OD2 3.42Å
860	G	71.5	Confident	82.5	Confident	8 Å²	8	20.5 Å²	20.5	8%	0.082	12%	0.122	C	C	.	.			trans	-77	139.5	-171.9	0	0	0	0	0	114.2	M856 K865	M856-G860 VanDerWaalsContact O-CA 3.22Å; M856-G860 WeakPolarHBondContact O-CA 3.26Å; M856-G860 PolarHBondContact O-N 3.36Å; G860-K865 WeakPolarHBondContact O-CE 3.17Å; G860-K865 PolarHBondContact O-NZ 3.37Å; G860-K865 VanDerWaalsContact O-NZ 3.08Å
861	T	74.3	Confident	82.5	Confident	19 Å²	19	20 Å²	20	12%	0.117	12%	0.117	C	C	.	.			trans	-65.3	152.8	165.2	58.6	0	0	0	0	111	D839 G840 T841 V863 A864 K865	D839-T861 WeakPolarHBondContact O-CB 3.45Å; D839-T861 PolarHBondContact O-N 3.18Å; D839-T861 PolarHBondContact O-OG1 2.93Å; G840-T861 VanDerWaalsContact C-OG1 3.32Å; T841-T861 HydrophobicContact CG2-CG2 4.22Å; T841-T861 PolarHBondContact N-OG1 3.18Å; T861-V863 VanDerWaalsContact C-N 3.25Å; T861-V863 PolarHBondContact O-N 2.85Å; T861-A864 WeakPolarHBondContact O-CB 3.25Å; T861-A864 PolarHBondContact O-N 3.08Å; T861-A864 PolarHBondContact OG1-N 3.14Å; T861-K865 PolarHBondContact O-N 3.47Å; T861-K865 VanDerWaalsContact O-N 3.1Å
862	D	76.2	Confident	82.5	Confident	27 Å²	27	18.6 Å²	18.6	14%	0.144	11%	0.109	C	C	.	.	H	α-helix	trans	-71.1	-27.1	-178	-58.8	-33	0	0	0	111.5	G183 L185 A864 K865 E866	G183-D862 PolarHBondContact O-N 3.4Å; L185-D862 HydrophobicContact CB-CB 3.97Å; D862-A864 VanDerWaalsContact C-N 3.33Å; D862-A864 PolarHBondContact O-N 3.5Å; D862-K865 PolarHBondContact O-N 3.2Å; D862-K865 IonicContact OD1-NZ 2.73Å; D862-K865 PolarHBondContact OD1-NZ 3.47Å; D862-E866 VanDerWaalsContact O-CB 3.3Å; D862-E866 WeakPolarHBondContact O-CB 3.37Å; D862-E866 VanDerWaalsContact O-CG 3.27Å; D862-E866 WeakPolarHBondContact O-CG 3.42Å; D862-E866 PolarHBondContact O-N 3.4Å
863	V	74.1	Confident	82.2	Confident	16 Å²	16	21.1 Å²	21.1	10%	0.097	12%	0.124	C	C	.	.	H	α-helix	trans	-55.2	-45.7	166.1	-178.4	0	0	0	0	111.8	H227 T841 T861 A867	H227-V863 HydrophobicContact CB-CG2 3.74Å; T841-V863 HydrophobicContact CG2-CB 3.97Å; T841-V863 HydrophobicContact CG2-CG1 4.41Å; T841-V863 HydrophobicContact CG2-CG2 3.78Å; T861-V863 VanDerWaalsContact C-N 3.25Å; T861-V863 PolarHBondContact O-N 2.85Å; V863-A867 VanDerWaalsContact O-CB 3.3Å; V863-A867 WeakPolarHBondContact O-CB 3.25Å; V863-A867 PolarHBondContact O-N 3.02Å
864	A	79.1	Confident	81.9	Confident	0 Å²	0	23 Å²	23	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-67.1	-42.7	177.6	0	0	0	0	0	111.4	L847 A855 T861 D862 E866 A867 S868	L847-A864 HydrophobicContact CD1-CB 3.97Å; A855-A864 HydrophobicContact CB-CB 4.33Å; T861-A864 WeakPolarHBondContact O-CB 3.25Å; T861-A864 PolarHBondContact O-N 3.08Å; T861-A864 PolarHBondContact OG1-N 3.14Å; D862-A864 VanDerWaalsContact C-N 3.33Å; D862-A864 PolarHBondContact O-N 3.5Å; A864-E866 PolarHBondContact O-N 2.68Å; A864-A867 PolarHBondContact O-N 3.4Å; A864-S868 WeakPolarHBondContact O-CB 3.34Å; A864-S868 PolarHBondContact O-N 3.12Å; A864-S868 PolarHBondContact O-OG 3.4Å
865	K	82.1	Confident	81.4	Confident	35 Å²	35	23.3 Å²	23.3	15%	0.152	14%	0.136	C	C	.	.	H	α-helix	trans	-60.3	-43	176.1	-65.1	172.7	-160.5	153.6	0	112.2	R480 A855 G857 G860 T861 D862 S868 I871	R480-K865 WeakPolarHBondContact CD-O 3.43Å; R480-K865 PolarHBondContact NH1-O 2.93Å; R480-K865 VanDerWaalsContact NH1-O 3.09Å; A855-K865 HydrophobicContact CB-CB 4.46Å; A855-K865 HydrophobicContact CB-CG 4.13Å; G857-K865 WeakPolarHBondContact O-CE 3.48Å; G860-K865 WeakPolarHBondContact O-CE 3.17Å; G860-K865 PolarHBondContact O-NZ 3.37Å; G860-K865 VanDerWaalsContact O-NZ 3.08Å; T861-K865 PolarHBondContact O-N 3.47Å; T861-K865 VanDerWaalsContact O-N 3.1Å; D862-K865 PolarHBondContact O-N 3.2Å; D862-K865 IonicContact OD1-NZ 2.73Å; D862-K865 PolarHBondContact OD1-NZ 3.47Å; K865-S868 PolarHBondContact O-N 2.7Å; K865-S868 PolarHBondContact O-OG 2.82Å; K865-I871 HydrophobicContact CB-CD1 3.82Å; K865-I871 HydrophobicContact CB-CG1 4.34Å; K865-I871 HydrophobicContact CD-CD1 4.43Å; K865-I871 HydrophobicContact CG-CD1 4.02Å; K865-I871 HydrophobicContact CG-CG1 4.37Å
866	E	75.9	Confident	81.3	Confident	51 Å²	51	24.7 Å²	24.7	24%	0.238	14%	0.143	C	C	.	.	H	α-helix	trans	-67.3	-36.2	176.2	-76.6	-101.4	86	0	0	113	L185 H227 R480 D862 A864	L185-E866 HydrophobicContact CD2-CG 4.37Å; H227-E866 IonicContact CE1-OE2 3.74Å; R480-E866 PolarHBondContact NH1-O 3.07Å; R480-E866 IonicContact NH2-OE1 3.8Å; R480-E866 PolarHBondContact NH2-OE1 3.49Å; D862-E866 VanDerWaalsContact O-CB 3.3Å; D862-E866 WeakPolarHBondContact O-CB 3.37Å; D862-E866 VanDerWaalsContact O-CG 3.27Å; D862-E866 WeakPolarHBondContact O-CG 3.42Å; D862-E866 PolarHBondContact O-N 3.4Å; A864-E866 PolarHBondContact O-N 2.68Å
867	A	77.6	Confident	81.4	Confident	12 Å²	12	24.6 Å²	24.6	10%	0.099	14%	0.143	C	C	.	.	H	α-helix	trans	-73.3	-29.5	176	0	0	0	0	0	113.5	L847 K848 V863 A864	L847-A867 HydrophobicContact CB-CB 4.01Å; L847-A867 HydrophobicContact CD1-CB 4.37Å; K848-A867 WeakPolarHBondContact CD-O 3.28Å; V863-A867 VanDerWaalsContact O-CB 3.3Å; V863-A867 WeakPolarHBondContact O-CB 3.25Å; V863-A867 PolarHBondContact O-N 3.02Å; A864-A867 PolarHBondContact O-N 3.4Å
868	S	85.8	Confident	82.1	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.149	C	C	.	.			trans	-81	157.2	-175.4	74.3	0	0	0	0	115.1	R480 G853 A855 A864 K865 I870	R480-S868 PolarHBondContact NH1-O 3.04Å; G853-S868 WeakPolarHBondContact O-CB 3.29Å; A855-S868 VanDerWaalsContact CB-OG 3.28Å; A855-S868 WeakPolarHBondContact CB-OG 3.47Å; A864-S868 WeakPolarHBondContact O-CB 3.34Å; A864-S868 PolarHBondContact O-N 3.12Å; A864-S868 PolarHBondContact O-OG 3.4Å; K865-S868 PolarHBondContact O-N 2.7Å; K865-S868 PolarHBondContact O-OG 2.82Å; S868-I870 PolarHBondContact OG-O 3.24Å
869	D	88.1	Confident	82.9	Confident	30 Å²	30	20 Å²	20	16%	0.16	12%	0.118	C	C	.	.	S	Bend	trans	-92.6	-25.3	173.1	-50.4	-77.6	0	0	0	112.6	R480 H481 A484 V852 G853	R480-D869 WeakPolarHBondContact CB-O 3.25Å; R480-D869 PolarHBondContact N-O 3.36Å; H481-D869 HydrophobicContact CB-CB 4.23Å; H481-D869 IonicContact CD2-OD1 2.85Å; H481-D869 PolarHBondContact CD2-OD1 3.27Å; H481-D869 VanDerWaalsContact CD2-OD1 3.27Å; H481-D869 IonicContact CG-OD1 3.26Å; H481-D869 PolarHBondContact N-O 3.2Å; A484-D869 HydrophobicContact CB-CB 3.43Å; A484-D869 VanDerWaalsContact CB-CB 3.43Å; V852-D869 WeakPolarHBondContact CA-OD2 3.33Å; G853-D869 PolarHBondContact N-OD2 2.63Å; G853-D869 PolarHBondContact O-N 2.98Å
870	I	91.1	Very high	83.9	Confident	0 Å²	0	18 Å²	18	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	134.4	179.9	-53.4	-178.5	0	0	0	109.2	M472 N477 L478 V479 A484 V852 G853 F854 A855 S868	M472-I870 HydrophobicContact CE-CD1 4.32Å; N477-I870 HydrophobicContact CB-CG2 4.29Å; L478-I870 WeakPolarHBondContact O-CA 3.24Å; V479-I870 HydrophobicContact CG1-CG1 4.36Å; V479-I870 HydrophobicContact CG2-CD1 4.26Å; V479-I870 HydrophobicContact CG2-CG1 4.18Å; V479-I870 HydrophobicContact CG2-CG2 4.38Å; A484-I870 HydrophobicContact CB-CD1 4.33Å; A484-I870 HydrophobicContact CB-CG1 4.23Å; V852-I870 HydrophobicContact CG1-CD1 4.01Å; V852-I870 HydrophobicContact CG1-CG1 4.34Å; G853-I870 PolarHBondContact O-N 3.48Å; G853-I870 VanDerWaalsContact O-N 3.09Å; F854-I870 VanDerWaalsContact CA-O 3.31Å; F854-I870 WeakPolarHBondContact CA-O 3.25Å; F854-I870 HydrophobicContact CD1-CB 3.91Å; F854-I870 HydrophobicContact CD1-CG2 4Å; F854-I870 HydrophobicContact CE1-CB 3.94Å; F854-I870 HydrophobicContact CE1-CD1 3.89Å; F854-I870 HydrophobicContact CE1-CG1 4.45Å; F854-I870 HydrophobicContact CE1-CG2 3.87Å; F854-I870 HydrophobicContact CZ-CD1 3.97Å; A855-I870 PolarHBondContact N-O 3.16Å; S868-I870 PolarHBondContact OG-O 3.24Å
871	I	89.4	Confident	85	Confident	7 Å²	7	18.2 Å²	18.2	4%	0.036	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	133.3	171.1	-59.7	171.8	0	0	0	109.2	L478 R480 A855 K865	L478-I871 HydrophobicContact CB-CB 4.29Å; L478-I871 PolarHBondContact N-O 2.96Å; L478-I871 PolarHBondContact O-N 2.96Å; R480-I871 HydrophobicContact CG-CD1 4.41Å; A855-I871 HydrophobicContact CB-CG1 4.39Å; A855-I871 WeakPolarHBondContact O-CA 3.49Å; K865-I871 HydrophobicContact CB-CD1 3.82Å; K865-I871 HydrophobicContact CB-CG1 4.34Å; K865-I871 HydrophobicContact CD-CD1 4.43Å; K865-I871 HydrophobicContact CG-CD1 4.02Å; K865-I871 HydrophobicContact CG-CG1 4.37Å
872	L	90.8	Very high	85.8	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	101	174.8	-57.8	-179	0	0	0	109.5	N477 F854 A855 M856 G857 D874 D875 I880	N477-L872 WeakPolarHBondContact OD1-CD2 3.47Å; F854-L872 HydrophobicContact CD1-CD1 4.35Å; F854-L872 HydrophobicContact CD1-CD2 3.72Å; F854-L872 HydrophobicContact CD1-CG 4.05Å; F854-L872 HydrophobicContact CE1-CD2 4.09Å; A855-L872 PolarHBondContact O-N 3.19Å; M856-L872 HydrophobicContact SD-CD1 4.24Å; G857-L872 WeakPolarHBondContact CA-O 3.13Å; G857-L872 PolarHBondContact N-O 2.88Å; L872-D874 PolarHBondContact O-N 3.22Å; L872-D874 VanDerWaalsContact O-N 3.11Å; L872-D875 PolarHBondContact O-N 3.36Å; L872-I880 HydrophobicContact CD1-CD1 3.96Å; L872-I880 HydrophobicContact CD1-CG1 3.64Å; L872-I880 HydrophobicContact CD2-CG1 4.24Å
873	T	86.5	Confident	86.7	Confident	53 Å²	53	19.1 Å²	19.1	33%	0.325	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-3.9	-172.2	68.3	0	0	0	0	113.9	N476 L478	N476-T873 WeakPolarHBondContact CA-OG1 3.48Å; N476-T873 WeakPolarHBondContact CB-OG1 3.44Å; N476-T873 PolarHBondContact O-N 2.84Å; N476-T873 PolarHBondContact O-OG1 2.97Å; L478-T873 HydrophobicContact CB-CG2 3.87Å
874	D	84.9	Confident	87.6	Confident	40 Å²	40	18.4 Å²	18.4	21%	0.214	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.7	8.2	177.5	67.6	-10.6	0	0	0	113.7	N476 L872 N876 S879	N476-D874 HydrophobicContact CB-CB 3.9Å; N476-D874 WeakPolarHBondContact CB-OD2 3.2Å; N476-D874 VanDerWaalsContact ND2-CG 3.34Å; N476-D874 PolarHBondContact ND2-OD2 3.1Å; L872-D874 PolarHBondContact O-N 3.22Å; L872-D874 VanDerWaalsContact O-N 3.11Å; D874-N876 HydrophobicContact CB-CB 4.37Å; D874-N876 PolarHBondContact O-N 3.48Å; D874-N876 VanDerWaalsContact OD1-CB 3.24Å; D874-N876 WeakPolarHBondContact OD1-CB 3.34Å; D874-N876 PolarHBondContact OD1-N 3.04Å; D874-N876 WeakPolarHBondContact OD2-CB 3.48Å; D874-S879 PolarHBondContact OD1-OG 3.13Å; D874-S879 PolarHBondContact OD2-OG 3.24Å; D874-S879 VanDerWaalsContact OD2-OG 3.05Å
875	D	84.5	Confident	88.3	Confident	7 Å²	7	19.8 Å²	19.8	4%	0.037	10%	0.104	C	C	.	.			trans	51.9	27.7	-177	-79.1	20.6	0	0	0	113.6	R728 M856 G857 I858 A859 L872	R728-D875 PolarHBondContact NH1-O 2.99Å; R728-D875 VanDerWaalsContact NH1-O 3.13Å; R728-D875 PolarHBondContact NH2-O 3Å; M856-D875 HydrophobicContact CE-CB 3.55Å; M856-D875 WeakPolarHBondContact CE-O 3.47Å; G857-D875 PolarHBondContact N-OD1 2.93Å; I858-D875 PolarHBondContact N-OD1 2.86Å; A859-D875 WeakPolarHBondContact CB-OD2 3.15Å; A859-D875 PolarHBondContact N-OD2 3.42Å; L872-D875 PolarHBondContact O-N 3.36Å
876	N	86.5	Confident	88.8	Confident	28 Å²	28	18.7 Å²	18.7	15%	0.15	10%	0.1	C	C	.	.			trans	-106.4	126.4	-168.3	-156	-64.4	0	0	0	113.4	E730 D874 T878 S879	E730-N876 WeakPolarHBondContact CG-OD1 3.41Å; E730-N876 PolarHBondContact OE1-ND2 2.87Å; E730-N876 PolarHBondContact OE1-OD1 3.42Å; D874-N876 HydrophobicContact CB-CB 4.37Å; D874-N876 PolarHBondContact O-N 3.48Å; D874-N876 VanDerWaalsContact OD1-CB 3.24Å; D874-N876 WeakPolarHBondContact OD1-CB 3.34Å; D874-N876 PolarHBondContact OD1-N 3.04Å; D874-N876 WeakPolarHBondContact OD2-CB 3.48Å; N876-T878 PolarHBondContact O-N 3.43Å; N876-T878 WeakPolarHBondContact OD1-CB 3.34Å; N876-T878 WeakPolarHBondContact OD1-CG2 3.38Å; N876-T878 PolarHBondContact OD1-N 3.19Å; N876-T878 PolarHBondContact OD1-OG1 3.43Å; N876-S879 WeakPolarHBondContact O-CB 3.34Å; N876-S879 PolarHBondContact O-N 2.96Å
877	F	88.5	Confident	89.5	Confident	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-63.8	-23.9	176.8	-163.3	-86.1	0	0	0	113	I494 T501 L502 V731 A734 I735 V745 S879 I880	I494-F877 HydrophobicContact CG2-CE2 4.45Å; I494-F877 HydrophobicContact CG2-CZ 4.38Å; T501-F877 HydrophobicContact CG2-CD2 3.92Å; L502-F877 HydrophobicContact CD2-CD2 3.69Å; L502-F877 HydrophobicContact CD2-CE2 3.77Å; L502-F877 HydrophobicContact CD2-CG 4.36Å; V731-F877 HydrophobicContact CG2-CB 3.71Å; V731-F877 HydrophobicContact CG2-CG 4.35Å; A734-F877 HydrophobicContact CB-CD1 3.69Å; A734-F877 HydrophobicContact CB-CE1 4.35Å; I735-F877 HydrophobicContact CG1-CD1 4.34Å; I735-F877 HydrophobicContact CG1-CE1 3.74Å; I735-F877 HydrophobicContact CG1-CZ 4.11Å; V745-F877 HydrophobicContact CG1-CZ 4.26Å; V745-F877 HydrophobicContact CG2-CZ 4.38Å; F877-S879 PolarHBondContact O-N 3.46Å; F877-I880 HydrophobicContact CD2-CD1 3.76Å; F877-I880 HydrophobicContact CE2-CD1 3.97Å; F877-I880 HydrophobicContact CG-CD1 4.26Å; F877-I880 WeakPolarHBondContact O-CB 3.31Å; F877-I880 PolarHBondContact O-N 3.38Å
878	T	90.7	Very high	90.1	Very high	46 Å²	46	15.8 Å²	15.8	28%	0.282	8%	0.084	S	C	.	.	H	α-helix	trans	-65	-28.4	172.7	64.4	0	0	0	0	112.4	E730 A734 N876 I880 V881 K882	E730-T878 HydrophobicContact CB-CG2 3.87Å; E730-T878 HydrophobicContact CG-CG2 3.75Å; A734-T878 HydrophobicContact CB-CG2 3.97Å; N876-T878 PolarHBondContact O-N 3.43Å; N876-T878 WeakPolarHBondContact OD1-CB 3.34Å; N876-T878 WeakPolarHBondContact OD1-CG2 3.38Å; N876-T878 PolarHBondContact OD1-N 3.19Å; N876-T878 PolarHBondContact OD1-OG1 3.43Å; T878-I880 VanDerWaalsContact C-N 3.27Å; T878-I880 PolarHBondContact O-N 3.27Å; T878-V881 WeakPolarHBondContact O-CB 3.26Å; T878-V881 PolarHBondContact O-N 3.43Å; T878-K882 PolarHBondContact O-N 3.32Å
879	S	92.1	Very high	90.4	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-63.2	-33.8	175.6	-61.3	0	0	0	0	111.4	N477 D874 N876 F877 K882 A883	N477-S879 WeakPolarHBondContact ND2-CB 3.4Å; N477-S879 PolarHBondContact ND2-O 3.03Å; N477-S879 PolarHBondContact OD1-O 3.3Å; D874-S879 PolarHBondContact OD1-OG 3.13Å; D874-S879 PolarHBondContact OD2-OG 3.24Å; D874-S879 VanDerWaalsContact OD2-OG 3.05Å; N876-S879 WeakPolarHBondContact O-CB 3.34Å; N876-S879 PolarHBondContact O-N 2.96Å; F877-S879 PolarHBondContact O-N 3.46Å; S879-K882 WeakPolarHBondContact O-CB 3.47Å; S879-K882 PolarHBondContact O-N 2.94Å; S879-A883 PolarHBondContact O-N 3.47Å
880	I	93.1	Very high	90.4	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-64.1	-40.2	171.7	-53	176.5	0	0	0	111.2	M488 I494 T837 F854 L872 F877 T878 K882 A883 V884	M488-I880 HydrophobicContact CE-CG2 3.53Å; I494-I880 HydrophobicContact CD1-CG2 4.15Å; T837-I880 HydrophobicContact CG2-CD1 3.65Å; F854-I880 HydrophobicContact CD1-CG1 4.18Å; F854-I880 HydrophobicContact CE1-CG1 4.23Å; F854-I880 HydrophobicContact CE1-CG2 4.36Å; F854-I880 HydrophobicContact CE2-CG2 4.19Å; F854-I880 HydrophobicContact CZ-CG2 3.99Å; L872-I880 HydrophobicContact CD1-CD1 3.96Å; L872-I880 HydrophobicContact CD1-CG1 3.64Å; L872-I880 HydrophobicContact CD2-CG1 4.24Å; F877-I880 HydrophobicContact CD2-CD1 3.76Å; F877-I880 HydrophobicContact CE2-CD1 3.97Å; F877-I880 HydrophobicContact CG-CD1 4.26Å; F877-I880 WeakPolarHBondContact O-CB 3.31Å; F877-I880 PolarHBondContact O-N 3.38Å; T878-I880 VanDerWaalsContact C-N 3.27Å; T878-I880 PolarHBondContact O-N 3.27Å; I880-K882 VanDerWaalsContact C-N 3.3Å; I880-K882 PolarHBondContact O-N 2.93Å; I880-A883 WeakPolarHBondContact O-CB 3.25Å; I880-A883 PolarHBondContact O-N 2.93Å; I880-A883 VanDerWaalsContact O-N 3.14Å; I880-V884 PolarHBondContact O-N 2.9Å; I880-V884 VanDerWaalsContact O-N 3.07Å
881	V	93.2	Very high	90.2	Very high	11 Å²	11	15 Å²	15	7%	0.067	8%	0.079	C	C	.	.	H	α-helix	trans	-63.5	-38	176	-171.1	0	0	0	0	110.9	A734 K737 T878 V884 M885 L954	A734-V881 HydrophobicContact CB-CG2 3.86Å; K737-V881 HydrophobicContact CB-CG1 4.1Å; K737-V881 HydrophobicContact CD-CG1 4.45Å; T878-V881 WeakPolarHBondContact O-CB 3.26Å; T878-V881 PolarHBondContact O-N 3.43Å; V881-V884 PolarHBondContact O-N 3.49Å; V881-M885 PolarHBondContact O-N 3.45Å; V881-M885 VanDerWaalsContact O-N 3.13Å; V881-L954 HydrophobicContact CG1-CD1 3.74Å
882	K	92.7	Very high	90.1	Very high	65 Å²	65	14.9 Å²	14.9	28%	0.283	8%	0.078	S	C	.	.	H	α-helix	trans	-64.5	-40.4	172.1	-60	-176.5	-177.8	-177.1	0	111.9	D475 T878 S879 I880 V884 M885 W886	D475-K882 HydrophobicContact CB-CD 3.7Å; D475-K882 WeakPolarHBondContact OD1-CD 3.4Å; D475-K882 WeakPolarHBondContact OD1-CE 3.06Å; D475-K882 IonicContact OD1-NZ 2.74Å; D475-K882 PolarHBondContact OD1-NZ 3.14Å; T878-K882 PolarHBondContact O-N 3.32Å; S879-K882 WeakPolarHBondContact O-CB 3.47Å; S879-K882 PolarHBondContact O-N 2.94Å; I880-K882 VanDerWaalsContact C-N 3.3Å; I880-K882 PolarHBondContact O-N 2.93Å; K882-V884 PolarHBondContact O-N 3.5Å; K882-M885 WeakPolarHBondContact O-CB 3.43Å; K882-M885 PolarHBondContact O-N 2.9Å; K882-M885 VanDerWaalsContact O-N 3.15Å; K882-W886 PolarHBondContact O-N 3.32Å
883	A	93.3	Very high	90	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-60.9	-42.1	176.9	0	0	0	0	0	112.5	M472 M488 F854 S879 I880 M885 W886 G887	M472-A883 HydrophobicContact CE-CB 3.74Å; M488-A883 HydrophobicContact CG-CB 4.12Å; F854-A883 HydrophobicContact CE1-CB 4.12Å; F854-A883 HydrophobicContact CZ-CB 4.06Å; S879-A883 PolarHBondContact O-N 3.47Å; I880-A883 WeakPolarHBondContact O-CB 3.25Å; I880-A883 PolarHBondContact O-N 2.93Å; I880-A883 VanDerWaalsContact O-N 3.14Å; A883-M885 VanDerWaalsContact C-N 3.35Å; A883-M885 PolarHBondContact O-N 3.49Å; A883-W886 PolarHBondContact O-N 2.86Å; A883-G887 PolarHBondContact O-N 3.4Å
884	V	93.9	Very high	90	Very high	1 Å²	1	12.5 Å²	12.5	1%	0.006	6%	0.064	C	C	.	.	H	α-helix	trans	-58.6	-46.2	171.4	173.8	0	0	0	0	111.1	M488 I743 I880 V881 K882 G887 R888 L954	M488-V884 HydrophobicContact CE-CG2 3.49Å; M488-V884 VanDerWaalsContact CE-CG2 3.49Å; M488-V884 HydrophobicContact CG-CG2 4.04Å; M488-V884 HydrophobicContact SD-CG2 4.43Å; I743-V884 HydrophobicContact CD1-CB 4.43Å; I743-V884 HydrophobicContact CD1-CG1 3.72Å; I743-V884 HydrophobicContact CD1-CG2 3.82Å; I880-V884 PolarHBondContact O-N 2.9Å; I880-V884 VanDerWaalsContact O-N 3.07Å; V881-V884 PolarHBondContact O-N 3.49Å; K882-V884 PolarHBondContact O-N 3.5Å; V884-G887 PolarHBondContact O-N 2.95Å; V884-R888 HydrophobicContact CG1-CG 4.48Å; V884-R888 WeakPolarHBondContact O-CB 3.35Å; V884-R888 WeakPolarHBondContact O-CG 3.39Å; V884-R888 PolarHBondContact O-N 3.24Å; V884-L954 HydrophobicContact CG1-CD2 4Å
885	M	93	Very high	90.2	Very high	29 Å²	29	10.8 Å²	10.8	14%	0.143	6%	0.055	C	C	.	.	H	α-helix	trans	-63.1	-44.1	-179.3	-163	-165	-69.6	0	0	111.9	V881 K882 A883 N889 P949 E951 L953 L954	V881-M885 PolarHBondContact O-N 3.45Å; V881-M885 VanDerWaalsContact O-N 3.13Å; K882-M885 WeakPolarHBondContact O-CB 3.43Å; K882-M885 PolarHBondContact O-N 2.9Å; K882-M885 VanDerWaalsContact O-N 3.15Å; A883-M885 VanDerWaalsContact C-N 3.35Å; A883-M885 PolarHBondContact O-N 3.49Å; M885-N889 WeakPolarHBondContact O-CB 3.38Å; M885-N889 PolarHBondContact O-N 3.03Å; M885-P949 HydrophobicContact CG-CB 3.8Å; M885-P949 HydrophobicContact SD-CB 3.85Å; M885-P949 HydrophobicContact SD-CG 4.38Å; M885-E951 HydrophobicContact CE-CG 4.13Å; M885-L953 HydrophobicContact CG-CB 4.42Å; M885-L953 HydrophobicContact CG-CD1 4.33Å; M885-L954 HydrophobicContact CB-CD2 4.27Å; M885-L954 HydrophobicContact CE-CD1 3.57Å; M885-L954 HydrophobicContact CE-CG 4.15Å; M885-L954 HydrophobicContact CG-CG 4.44Å
886	W	92.9	Very high	90.4	Very high	13 Å²	13	11.4 Å²	11.4	5%	0.049	6%	0.057	C	C	.	.	H	α-helix	trans	-64.2	-45.1	175.2	-84.3	108.3	0	0	0	112.3	K471 M472 D475 K882 A883 R888 N889 V890 P949	K471-W886 HydrophobicContact CB-CH2 3.4Å; K471-W886 HydrophobicContact CB-CZ2 3.4Å; K471-W886 HydrophobicContact CB-CZ3 4.04Å; K471-W886 HydrophobicContact CD-CH2 4.14Å; K471-W886 HydrophobicContact CD-CZ2 4.46Å; K471-W886 HydrophobicContact CG-CH2 3.68Å; K471-W886 HydrophobicContact CG-CZ2 4.13Å; K471-W886 HydrophobicContact CG-CZ3 4.33Å; M472-W886 HydrophobicContact CG-CB 3.76Å; M472-W886 HydrophobicContact CG-CD2 4.08Å; M472-W886 HydrophobicContact CG-CG 3.5Å; M472-W886 HydrophobicContact SD-CB 3.68Å; M472-W886 HydrophobicContact SD-CG 4.13Å; D475-W886 PolarHBondContact OD2-NE1 3.27Å; K882-W886 PolarHBondContact O-N 3.32Å; A883-W886 PolarHBondContact O-N 2.86Å; W886-R888 PolarHBondContact O-N 2.99Å; W886-N889 WeakPolarHBondContact O-CB 3.34Å; W886-N889 PolarHBondContact O-N 3.33Å; W886-N889 VanDerWaalsContact O-N 3.12Å; W886-V890 PolarHBondContact O-N 3.23Å; W886-P949 HydrophobicContact CD2-CG 3.96Å; W886-P949 HydrophobicContact CE3-CG 4.12Å; W886-P949 VanDerWaalsContact CH2-CD 3.47Å; W886-P949 HydrophobicContact CH2-CG 3.99Å; W886-P949 HydrophobicContact CZ2-CG 3.83Å; W886-P949 HydrophobicContact CZ3-CG 4.14Å
887	G	91.1	Very high	90.6	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-62.4	-41.3	177.3	0	0	0	0	0	113.5	C485 A883 V884 N889 V890 Y891	C485-G887 WeakPolarHBondContact O-CA 3.41Å; A883-G887 PolarHBondContact O-N 3.4Å; V884-G887 PolarHBondContact O-N 2.95Å; G887-N889 VanDerWaalsContact C-N 3.29Å; G887-N889 PolarHBondContact O-N 2.94Å; G887-V890 PolarHBondContact O-N 3.3Å; G887-Y891 PolarHBondContact O-N 3.5Å
888	R	90.9	Very high	90.6	Very high	1 Å²	1	10.2 Å²	10.2	0%	0.004	5%	0.05	C	C	.	.	H	α-helix	trans	-63.4	-34.8	173.3	-72.7	-179.9	179.9	-163.7	0.5	112.1	G489 A741 V884 W886 D892 L953 R956	G489-R888 WeakPolarHBondContact O-CG 3.31Å; G489-R888 PolarHBondContact O-NE 3.16Å; A741-R888 PolarHBondContact O-NH2 3.01Å; V884-R888 HydrophobicContact CG1-CG 4.48Å; V884-R888 WeakPolarHBondContact O-CB 3.35Å; V884-R888 WeakPolarHBondContact O-CG 3.39Å; V884-R888 PolarHBondContact O-N 3.24Å; W886-R888 PolarHBondContact O-N 2.99Å; R888-D892 PolarHBondContact O-N 3.14Å; R888-D892 VanDerWaalsContact O-N 3.14Å; R888-L953 HydrophobicContact CB-CB 4.27Å; R888-L953 HydrophobicContact CB-CD1 4.47Å; R888-L953 WeakPolarHBondContact CD-O 3.46Å; R888-L953 PolarHBondContact NH1-O 3.23Å; R888-R956 PolarHBondContact NH1-O 3.32Å
889	N	91	Very high	90.6	Very high	4 Å²	4	8.3 Å²	8.3	2%	0.021	4%	0.039	C	C	.	.	H	α-helix	trans	-70.2	-38.8	176	-175.9	66.9	0	0	0	113	M885 W886 G887 D892 S893 E947 P949 L953	M885-N889 WeakPolarHBondContact O-CB 3.38Å; M885-N889 PolarHBondContact O-N 3.03Å; W886-N889 WeakPolarHBondContact O-CB 3.34Å; W886-N889 PolarHBondContact O-N 3.33Å; W886-N889 VanDerWaalsContact O-N 3.12Å; G887-N889 VanDerWaalsContact C-N 3.29Å; G887-N889 PolarHBondContact O-N 2.94Å; N889-D892 PolarHBondContact O-N 3.34Å; N889-S893 VanDerWaalsContact O-CB 3.24Å; N889-S893 WeakPolarHBondContact O-CB 3.27Å; N889-S893 PolarHBondContact O-N 3.14Å; N889-S893 PolarHBondContact O-OG 3.46Å; N889-E947 PolarHBondContact ND2-O 3.5Å; N889-P949 HydrophobicContact CB-CB 3.89Å; N889-L953 HydrophobicContact CB-CD1 3.76Å
890	V	88.7	Confident	90.6	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-60	-49.5	174.3	170.2	0	0	0	0	110.5	L465 S468 W886 G887 D892 S893 I894	L465-V890 HydrophobicContact CD2-CG1 3.93Å; L465-V890 HydrophobicContact CD2-CG2 4.43Å; L465-V890 HydrophobicContact CG-CG1 4.3Å; S468-V890 VanDerWaalsContact OG-CG2 3.29Å; S468-V890 WeakPolarHBondContact OG-CG2 3.41Å; W886-V890 PolarHBondContact O-N 3.23Å; G887-V890 PolarHBondContact O-N 3.3Å; V890-D892 PolarHBondContact O-N 3.02Å; V890-S893 PolarHBondContact O-N 2.97Å; V890-I894 HydrophobicContact CG1-CD1 3.66Å; V890-I894 WeakPolarHBondContact O-CD1 3.42Å; V890-I894 WeakPolarHBondContact O-CG1 3.5Å; V890-I894 PolarHBondContact O-N 2.73Å
891	Y	86.8	Confident	90.5	Very high	9 Å²	9	8.4 Å²	8.4	4%	0.035	4%	0.039	C	C	.	.	H	α-helix	trans	-58.7	-46.5	178.3	-172.2	-78.6	0	0	0	112.3	L387 G887 S895 Y959	L387-Y891 HydrophobicContact CD1-CD2 4.04Å; L387-Y891 HydrophobicContact CD1-CE2 3.89Å; G887-Y891 PolarHBondContact O-N 3.5Å; Y891-S895 WeakPolarHBondContact O-CB 3.49Å; Y891-S895 PolarHBondContact O-N 3.1Å; Y891-S895 PolarHBondContact O-OG 3.26Å; Y891-Y959 AromaticContact CD1-CD2 3.59Å; Y891-Y959 HydrophobicContact CD1-CD2 3.59Å; Y891-Y959 AromaticContact CD1-CE2 3.2Å; Y891-Y959 HydrophobicContact CD1-CE2 3.2Å; Y891-Y959 HydrophobicContact CD2-CD2 4.41Å; Y891-Y959 AromaticContact CE1-CD2 3.56Å; Y891-Y959 HydrophobicContact CE1-CD2 3.56Å; Y891-Y959 AromaticContact CE1-CE2 3.41Å; Y891-Y959 HydrophobicContact CE1-CE2 3.41Å; Y891-Y959 VanDerWaalsContact CE1-CE2 3.41Å; Y891-Y959 HydrophobicContact CE1-CG 4.21Å; Y891-Y959 AromaticContact CE1-CZ 3.94Å; Y891-Y959 HydrophobicContact CE2-CD2 4.37Å; Y891-Y959 HydrophobicContact CG-CD2 4.03Å; Y891-Y959 AromaticContact CG-CE2 3.95Å; Y891-Y959 HydrophobicContact CG-CE2 3.95Å; Y891-Y959 AromaticContact CZ-CD2 3.96Å
892	D	87.8	Confident	90.3	Very high	5 Å²	5	9.1 Å²	9.1	3%	0.027	4%	0.042	C	C	.	.	H	α-helix	trans	-68.3	-36.9	179.6	-77.6	8.4	0	0	0	112.3	R888 N889 V890 S895 K896 L953 R956 Y959 I1037 H1038	R888-D892 PolarHBondContact O-N 3.14Å; R888-D892 VanDerWaalsContact O-N 3.14Å; N889-D892 PolarHBondContact O-N 3.34Å; V890-D892 PolarHBondContact O-N 3.02Å; D892-S895 WeakPolarHBondContact O-CB 3.35Å; D892-S895 PolarHBondContact O-N 2.86Å; D892-K896 VanDerWaalsContact O-CG 3.25Å; D892-K896 WeakPolarHBondContact O-CG 3.41Å; D892-K896 PolarHBondContact O-N 2.91Å; D892-L953 VanDerWaalsContact OD2-CD2 3.31Å; D892-L953 WeakPolarHBondContact OD2-CD2 3.44Å; D892-R956 IonicContact OD1-CZ 3.76Å; D892-R956 IonicContact OD1-NH1 2.7Å; D892-R956 IonicContact OD1-NH2 3.92Å; D892-R956 PolarHBondContact OD1-NH2 3.48Å; D892-R956 IonicContact OD2-CZ 2.88Å; D892-R956 VanDerWaalsContact OD2-CZ 3.3Å; D892-R956 IonicContact OD2-NH1 2.67Å; D892-R956 PolarHBondContact OD2-NH1 3.33Å; D892-R956 IonicContact OD2-NH2 3.71Å; D892-R956 PolarHBondContact OD2-NH2 3.35Å; D892-Y959 PolarHBondContact OD1-OH 3.45Å; D892-I1037 HydrophobicContact CB-CD1 4.46Å; D892-H1038 IonicContact OD1-CE1 2.74Å; D892-H1038 IonicContact OD2-CE1 2.84Å; D892-H1038 PolarHBondContact OD2-CE1 3.36Å
893	S	88.1	Confident	90.3	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-67	-42.1	178.9	-58.5	0	0	0	0	111.8	N889 V890 S895 K896 F897	N889-S893 VanDerWaalsContact O-CB 3.24Å; N889-S893 WeakPolarHBondContact O-CB 3.27Å; N889-S893 PolarHBondContact O-N 3.14Å; N889-S893 PolarHBondContact O-OG 3.46Å; V890-S893 PolarHBondContact O-N 2.97Å; S893-S895 VanDerWaalsContact C-N 3.3Å; S893-S895 PolarHBondContact O-N 2.86Å; S893-K896 PolarHBondContact O-N 3.47Å; S893-F897 PolarHBondContact O-N 3.07Å; S893-F897 VanDerWaalsContact O-N 3.14Å
894	I	86.6	Confident	90.2	Very high	4 Å²	4	6.1 Å²	6.1	2%	0.021	3%	0.029	C	C	.	.	H	α-helix	trans	-64.1	-38.1	171.7	-66.1	162.3	0	0	0	110.5	L387 L391 V461 V890 L898	L387-I894 HydrophobicContact CD2-CB 4.47Å; L387-I894 HydrophobicContact CD2-CD1 3.48Å; L387-I894 VanDerWaalsContact CD2-CD1 3.48Å; L387-I894 HydrophobicContact CD2-CG2 4.23Å; L391-I894 HydrophobicContact CD1-CG2 4.15Å; V461-I894 HydrophobicContact CB-CD1 4.27Å; V461-I894 HydrophobicContact CG1-CD1 4.19Å; V461-I894 HydrophobicContact CG2-CD1 4.03Å; V461-I894 HydrophobicContact CG2-CG1 4.42Å; V461-I894 HydrophobicContact CG2-CG2 4.38Å; V890-I894 HydrophobicContact CG1-CD1 3.66Å; V890-I894 WeakPolarHBondContact O-CD1 3.42Å; V890-I894 WeakPolarHBondContact O-CG1 3.5Å; V890-I894 PolarHBondContact O-N 2.73Å; I894-L898 WeakPolarHBondContact O-CB 3.42Å; I894-L898 PolarHBondContact O-N 3.23Å
895	S	88	Confident	89.9	Confident	3 Å²	3	6.3 Å²	6.3	2%	0.021	3%	0.03	C	C	.	.	H	α-helix	trans	-66.7	-37.3	176.8	-58.3	0	0	0	0	113.2	Y891 D892 S893 L898 Q899 M970	Y891-S895 WeakPolarHBondContact O-CB 3.49Å; Y891-S895 PolarHBondContact O-N 3.1Å; Y891-S895 PolarHBondContact O-OG 3.26Å; D892-S895 WeakPolarHBondContact O-CB 3.35Å; D892-S895 PolarHBondContact O-N 2.86Å; S893-S895 VanDerWaalsContact C-N 3.3Å; S893-S895 PolarHBondContact O-N 2.86Å; S895-L898 PolarHBondContact O-N 3.41Å; S895-Q899 PolarHBondContact O-N 3.35Å; S895-M970 VanDerWaalsContact O-CE 3.24Å; S895-M970 WeakPolarHBondContact O-CE 3.34Å
896	K	89.5	Confident	89.8	Confident	20 Å²	20	7.8 Å²	7.8	9%	0.087	4%	0.038	C	C	.	.	H	α-helix	trans	-63.1	-51.6	174	-67.9	159.7	-157.7	165	0	111.3	D892 S893 L898 Q899 F900 E947 A1034 R1035 I1037	D892-K896 VanDerWaalsContact O-CG 3.25Å; D892-K896 WeakPolarHBondContact O-CG 3.41Å; D892-K896 PolarHBondContact O-N 2.91Å; S893-K896 PolarHBondContact O-N 3.47Å; K896-L898 VanDerWaalsContact C-N 3.31Å; K896-L898 PolarHBondContact O-N 2.98Å; K896-Q899 WeakPolarHBondContact O-CB 3.19Å; K896-Q899 PolarHBondContact O-N 3.28Å; K896-F900 PolarHBondContact O-N 3.47Å; K896-F900 VanDerWaalsContact O-N 3.13Å; K896-E947 WeakPolarHBondContact CE-OE2 3.48Å; K896-E947 IonicContact NZ-OE2 2.74Å; K896-E947 PolarHBondContact NZ-OE2 3.42Å; K896-A1034 WeakPolarHBondContact CB-O 3.42Å; K896-R1035 WeakPolarHBondContact CD-O 3.46Å; K896-I1037 HydrophobicContact CB-CG2 4.47Å; K896-I1037 HydrophobicContact CG-CG2 3.88Å
897	F	90	Very high	89.7	Confident	2 Å²	2	7.2 Å²	7.2	1%	0.009	4%	0.035	C	C	.	.	H	α-helix	trans	-56.3	-45.6	175.8	170.7	-107.4	0	0	0	111.7	L457 A460 S893 Q899 F900 Q901 A940 S941 L944	L457-F897 HydrophobicContact CB-CE1 4.46Å; A460-F897 HydrophobicContact CB-CD1 3.6Å; A460-F897 HydrophobicContact CB-CE1 3.62Å; A460-F897 HydrophobicContact CB-CG 4.24Å; A460-F897 HydrophobicContact CB-CZ 4.27Å; S893-F897 PolarHBondContact O-N 3.07Å; S893-F897 VanDerWaalsContact O-N 3.14Å; F897-Q899 VanDerWaalsContact C-N 3.33Å; F897-Q899 PolarHBondContact O-N 3.35Å; F897-F900 WeakPolarHBondContact O-CB 3.28Å; F897-F900 PolarHBondContact O-N 3.11Å; F897-Q901 HydrophobicContact CE1-CB 4.5Å; F897-Q901 HydrophobicContact CE2-CB 4.39Å; F897-Q901 HydrophobicContact CZ-CB 4.21Å; F897-Q901 HydrophobicContact CZ-CG 4.37Å; F897-Q901 WeakPolarHBondContact O-CB 3.47Å; F897-Q901 PolarHBondContact O-N 3.45Å; F897-A940 HydrophobicContact CE2-CB 4.44Å; F897-S941 VanDerWaalsContact CD2-CA 3.47Å; F897-L944 HydrophobicContact CB-CB 4.16Å; F897-L944 HydrophobicContact CB-CD1 4.43Å
898	L	88.6	Confident	89.6	Confident	1 Å²	1	7.2 Å²	7.2	1%	0.005	4%	0.035	C	C	.	.	H	α-helix	trans	-69.4	-28.3	-179.2	-161.8	149.9	0	0	0	112.4	L391 L394 L457 I894 S895 K896 L902 I965 I966 M970	L391-L898 HydrophobicContact CD2-CD1 3.47Å; L391-L898 VanDerWaalsContact CD2-CD1 3.47Å; L394-L898 HydrophobicContact CD2-CD1 3.84Å; L394-L898 HydrophobicContact CD2-CD2 4.02Å; L394-L898 HydrophobicContact CD2-CG 4.36Å; L457-L898 HydrophobicContact CD1-CD1 4.06Å; I894-L898 WeakPolarHBondContact O-CB 3.42Å; I894-L898 PolarHBondContact O-N 3.23Å; S895-L898 PolarHBondContact O-N 3.41Å; K896-L898 VanDerWaalsContact C-N 3.31Å; K896-L898 PolarHBondContact O-N 2.98Å; L898-L902 HydrophobicContact CD2-CD1 3.5Å; L898-L902 HydrophobicContact CD2-CG 3.99Å; L898-L902 HydrophobicContact CG-CD1 4.45Å; L898-L902 HydrophobicContact CG-CG 4.47Å; L898-L902 WeakPolarHBondContact O-CB 3.47Å; L898-L902 VanDerWaalsContact O-CG 3.25Å; L898-L902 WeakPolarHBondContact O-CG 3.48Å; L898-L902 PolarHBondContact O-N 3.3Å; L898-L902 VanDerWaalsContact O-N 3.16Å; L898-I965 HydrophobicContact CD1-CG2 4.43Å; L898-I966 HydrophobicContact CD2-CD1 4.21Å; L898-I966 HydrophobicContact CD2-CG1 4.01Å; L898-M970 HydrophobicContact CB-CE 3.98Å; L898-M970 HydrophobicContact CD2-CE 3.39Å; L898-M970 HydrophobicContact CG-CE 4.3Å
899	Q	91.5	Very high	89.4	Confident	7 Å²	7	8.3 Å²	8.3	3%	0.033	4%	0.041	C	C	.	.	H	α-helix	trans	-66.5	-44.7	171.5	-166.5	-176.1	-92.3	0	0	110.6	S895 K896 F897 T903 M970 N973 I974	S895-Q899 PolarHBondContact O-N 3.35Å; K896-Q899 WeakPolarHBondContact O-CB 3.19Å; K896-Q899 PolarHBondContact O-N 3.28Å; F897-Q899 VanDerWaalsContact C-N 3.33Å; F897-Q899 PolarHBondContact O-N 3.35Å; Q899-T903 PolarHBondContact O-N 3.46Å; Q899-T903 PolarHBondContact O-OG1 3.09Å; Q899-M970 HydrophobicContact CB-CE 3.89Å; Q899-M970 HydrophobicContact CB-CG 4.08Å; Q899-M970 HydrophobicContact CG-CG 3.91Å; Q899-M970 VanDerWaalsContact N-CE 3.31Å; Q899-N973 HydrophobicContact CG-CB 4.3Å; Q899-N973 PolarHBondContact OE1-ND2 3.22Å; Q899-I974 HydrophobicContact CG-CD1 4.41Å; Q899-I974 HydrophobicContact CG-CG1 3.86Å
900	F	92.2	Very high	89.3	Confident	1 Å²	1	10.9 Å²	10.9	0%	0.004	5%	0.054	C	C	.	.	H	α-helix	trans	-63.6	-57.2	177.5	173.2	-104.8	0	0	0	111.6	K896 F897 L902 T903 V904 M936 A940 L944 T1027 E1031 A1034	K896-F900 PolarHBondContact O-N 3.47Å; K896-F900 VanDerWaalsContact O-N 3.13Å; F897-F900 WeakPolarHBondContact O-CB 3.28Å; F897-F900 PolarHBondContact O-N 3.11Å; F900-L902 PolarHBondContact O-N 2.9Å; F900-T903 WeakPolarHBondContact O-CB 3.46Å; F900-T903 PolarHBondContact O-N 2.96Å; F900-T903 VanDerWaalsContact O-N 3.07Å; F900-V904 HydrophobicContact CD2-CG2 4.43Å; F900-V904 HydrophobicContact CE2-CG2 4.02Å; F900-V904 HydrophobicContact CZ-CG2 4.09Å; F900-V904 PolarHBondContact O-N 3.44Å; F900-V904 VanDerWaalsContact O-N 3.15Å; F900-M936 HydrophobicContact CE1-CB 4.01Å; F900-M936 WeakPolarHBondContact CE1-O 3.34Å; F900-M936 HydrophobicContact CZ-CB 4.39Å; F900-A940 HydrophobicContact CD1-CB 3.65Å; F900-A940 HydrophobicContact CE1-CB 3.22Å; F900-A940 HydrophobicContact CZ-CB 4.09Å; F900-L944 HydrophobicContact CB-CD1 4Å; F900-L944 HydrophobicContact CD1-CD1 4.35Å; F900-L944 HydrophobicContact CG-CD1 4.26Å; F900-T1027 WeakPolarHBondContact CE2-O 3.47Å; F900-E1031 HydrophobicContact CD2-CB 4.01Å; F900-E1031 HydrophobicContact CD2-CG 4.28Å; F900-E1031 HydrophobicContact CE2-CB 3.69Å; F900-E1031 HydrophobicContact CE2-CG 4.11Å; F900-E1031 HydrophobicContact CZ-CB 4.26Å; F900-E1031 HydrophobicContact CZ-CG 4.33Å; F900-A1034 HydrophobicContact CB-CB 3.63Å; F900-A1034 HydrophobicContact CD2-CB 4.43Å; F900-A1034 HydrophobicContact CG-CB 4.48Å
901	Q	90.6	Very high	89.4	Confident	1 Å²	1	11 Å²	11	1%	0.005	6%	0.055	C	C	.	.	H	α-helix	trans	-59.1	-43.4	-175.9	-171.7	177.3	35.5	0	0	112.5	P454 F897 T903 V904 N905 M936 D937	P454-Q901 VanDerWaalsContact CB-NE2 3.26Å; F897-Q901 HydrophobicContact CE1-CB 4.5Å; F897-Q901 HydrophobicContact CE2-CB 4.39Å; F897-Q901 HydrophobicContact CZ-CB 4.21Å; F897-Q901 HydrophobicContact CZ-CG 4.37Å; F897-Q901 WeakPolarHBondContact O-CB 3.47Å; F897-Q901 PolarHBondContact O-N 3.45Å; Q901-T903 VanDerWaalsContact C-N 3.31Å; Q901-T903 PolarHBondContact O-N 2.97Å; Q901-V904 PolarHBondContact O-N 3.48Å; Q901-N905 WeakPolarHBondContact O-CB 3.31Å; Q901-N905 PolarHBondContact O-N 3.07Å; Q901-M936 HydrophobicContact CG-CE 3.87Å; Q901-M936 WeakPolarHBondContact O-CE 3.3Å; Q901-D937 PolarHBondContact NE2-OD1 3Å
902	L	89.1	Confident	89.2	Confident	26 Å²	26	10.8 Å²	10.8	14%	0.136	6%	0.055	C	C	.	.	H	α-helix	trans	-67	-30.6	177.8	-69.2	-171.7	0	0	0	113.4	I398 L898 F900 M906 I966 I974	I398-L902 HydrophobicContact CD1-CD2 3.56Å; L898-L902 HydrophobicContact CD2-CD1 3.5Å; L898-L902 HydrophobicContact CD2-CG 3.99Å; L898-L902 HydrophobicContact CG-CD1 4.45Å; L898-L902 HydrophobicContact CG-CG 4.47Å; L898-L902 WeakPolarHBondContact O-CB 3.47Å; L898-L902 VanDerWaalsContact O-CG 3.25Å; L898-L902 WeakPolarHBondContact O-CG 3.48Å; L898-L902 PolarHBondContact O-N 3.3Å; L898-L902 VanDerWaalsContact O-N 3.16Å; F900-L902 PolarHBondContact O-N 2.9Å; L902-M906 WeakPolarHBondContact O-CB 3.3Å; L902-M906 PolarHBondContact O-N 3.33Å; L902-I966 HydrophobicContact CD1-CD1 3.68Å; L902-I974 HydrophobicContact CB-CD1 4.03Å; L902-I974 HydrophobicContact CB-CG1 4.49Å; L902-I974 HydrophobicContact CB-CG2 4.47Å; L902-I974 HydrophobicContact CD1-CD1 4.12Å
903	T	91.9	Very high	89	Confident	2 Å²	2	13.3 Å²	13.3	1%	0.012	7%	0.066	C	C	.	.	H	α-helix	trans	-64.7	-51.2	174.2	-54.5	0	0	0	0	109.8	Q899 F900 Q901 M906 V907 Q977	Q899-T903 PolarHBondContact O-N 3.46Å; Q899-T903 PolarHBondContact O-OG1 3.09Å; F900-T903 WeakPolarHBondContact O-CB 3.46Å; F900-T903 PolarHBondContact O-N 2.96Å; F900-T903 VanDerWaalsContact O-N 3.07Å; Q901-T903 VanDerWaalsContact C-N 3.31Å; Q901-T903 PolarHBondContact O-N 2.97Å; T903-M906 PolarHBondContact O-N 2.97Å; T903-V907 WeakPolarHBondContact O-CG2 3.48Å; T903-V907 PolarHBondContact O-N 3Å; T903-V907 VanDerWaalsContact O-N 3.09Å; T903-Q977 HydrophobicContact CG2-CB 3.81Å
904	V	91.5	Very high	88.9	Confident	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-66.5	-41.8	-178.3	-173.9	0	0	0	0	111.4	F900 Q901 M906 V907 A908 V932 M936 F1023 T1027	F900-V904 HydrophobicContact CD2-CG2 4.43Å; F900-V904 HydrophobicContact CE2-CG2 4.02Å; F900-V904 HydrophobicContact CZ-CG2 4.09Å; F900-V904 PolarHBondContact O-N 3.44Å; F900-V904 VanDerWaalsContact O-N 3.15Å; Q901-V904 PolarHBondContact O-N 3.48Å; V904-M906 PolarHBondContact O-N 3.09Å; V904-V907 PolarHBondContact O-N 2.74Å; V904-A908 VanDerWaalsContact O-CB 3.25Å; V904-A908 WeakPolarHBondContact O-CB 3.47Å; V904-A908 PolarHBondContact O-N 2.83Å; V904-V932 HydrophobicContact CG1-CG1 4.02Å; V904-M936 HydrophobicContact CB-CB 4.43Å; V904-M936 HydrophobicContact CB-CE 3.58Å; V904-M936 HydrophobicContact CB-SD 4.02Å; V904-M936 HydrophobicContact CG1-CB 4.18Å; V904-M936 HydrophobicContact CG1-CE 3.75Å; V904-M936 HydrophobicContact CG1-CG 4.5Å; V904-M936 HydrophobicContact CG1-SD 3.47Å; V904-M936 WeakPolarHBondContact CG1-SD 3.4Å; V904-F1023 HydrophobicContact CG1-CE2 4.47Å; V904-F1023 HydrophobicContact CG1-CZ 3.95Å; V904-T1027 HydrophobicContact CB-CG2 4.44Å; V904-T1027 HydrophobicContact CG1-CG2 3.88Å; V904-T1027 HydrophobicContact CG2-CG2 3.7Å
905	N	88.9	Confident	88.6	Confident	5 Å²	5	14.8 Å²	14.8	3%	0.027	8%	0.076	C	C	.	.	H	α-helix	trans	-57.4	-48.9	174.5	-86.6	6.4	0	0	0	111.5	V451 Q901 V907 A908 I909 M936	V451-N905 PolarHBondContact O-OD1 3.1Å; Q901-N905 WeakPolarHBondContact O-CB 3.31Å; Q901-N905 PolarHBondContact O-N 3.07Å; N905-V907 PolarHBondContact O-N 3.46Å; N905-A908 PolarHBondContact O-N 3Å; N905-I909 WeakPolarHBondContact O-CB 2.85Å; N905-I909 WeakPolarHBondContact O-CD1 3.45Å; N905-I909 WeakPolarHBondContact O-CG1 3.47Å; N905-I909 PolarHBondContact O-N 3.13Å; N905-M936 HydrophobicContact CB-CE 4.47Å; N905-M936 WeakPolarHBondContact OD1-CE 3.43Å
906	M	89.5	Confident	88.1	Confident	60 Å²	60	14.7 Å²	14.7	30%	0.296	8%	0.075	S	C	.	.	H	α-helix	trans	-65.1	-40.9	-176.7	-171.8	164.4	68.7	0	0	111.8	L902 T903 V904 I910 I974 I975 S978	L902-M906 WeakPolarHBondContact O-CB 3.3Å; L902-M906 PolarHBondContact O-N 3.33Å; T903-M906 PolarHBondContact O-N 2.97Å; V904-M906 PolarHBondContact O-N 3.09Å; M906-I910 HydrophobicContact CG-CD1 3.81Å; M906-I910 WeakPolarHBondContact O-CB 3.19Å; M906-I910 WeakPolarHBondContact O-CD1 3.37Å; M906-I910 WeakPolarHBondContact O-CG1 3.26Å; M906-I910 PolarHBondContact O-N 3.25Å; M906-I974 HydrophobicContact CE-CG2 3.93Å; M906-I975 HydrophobicContact CE-CG1 4.34Å; M906-S978 VanDerWaalsContact CE-CB 3.46Å; M906-S978 WeakPolarHBondContact CE-OG 3.43Å
907	V	92.2	Very high	87.6	Confident	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-64.7	-51.1	175.2	175.8	0	0	0	0	110.7	T903 V904 N905 I909 I910 V911 Q981 L982 I985 F1023	T903-V907 WeakPolarHBondContact O-CG2 3.48Å; T903-V907 PolarHBondContact O-N 3Å; T903-V907 VanDerWaalsContact O-N 3.09Å; V904-V907 PolarHBondContact O-N 2.74Å; N905-V907 PolarHBondContact O-N 3.46Å; V907-I909 PolarHBondContact O-N 3.25Å; V907-I910 PolarHBondContact O-N 3.42Å; V907-V911 HydrophobicContact CG1-CG2 4.05Å; V907-V911 WeakPolarHBondContact O-CB 3.35Å; V907-V911 VanDerWaalsContact O-CG2 3.27Å; V907-V911 WeakPolarHBondContact O-CG2 3.27Å; V907-V911 PolarHBondContact O-N 3.31Å; V907-Q981 HydrophobicContact CG1-CB 4.01Å; V907-Q981 HydrophobicContact CG2-CB 3.91Å; V907-L982 HydrophobicContact CG1-CD2 4.19Å; V907-L982 HydrophobicContact CG1-CG 4.42Å; V907-L982 HydrophobicContact CG2-CG 4.38Å; V907-I985 HydrophobicContact CG1-CD1 3.83Å; V907-F1023 HydrophobicContact CB-CE2 4.31Å; V907-F1023 HydrophobicContact CG1-CD2 4.37Å; V907-F1023 HydrophobicContact CG1-CE2 3.7Å; V907-F1023 HydrophobicContact CG1-CZ 4.3Å
908	A	88.9	Confident	87.2	Confident	0 Å²	0	20 Å²	20	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-61.7	-43.4	-176	0	0	0	0	0	112.9	V451 V904 N905 A912 M929 F1023	V451-A908 HydrophobicContact CG1-CB 3.62Å; V904-A908 VanDerWaalsContact O-CB 3.25Å; V904-A908 WeakPolarHBondContact O-CB 3.47Å; V904-A908 PolarHBondContact O-N 2.83Å; N905-A908 PolarHBondContact O-N 3Å; A908-A912 WeakPolarHBondContact O-CB 3.4Å; A908-A912 PolarHBondContact O-N 2.91Å; A908-M929 HydrophobicContact CB-CE 4.03Å; A908-F1023 HydrophobicContact CB-CZ 4.17Å
909	I	86.9	Confident	86.5	Confident	25 Å²	25	20.9 Å²	20.9	13%	0.128	11%	0.11	C	C	.	.	H	α-helix	trans	-61.5	-45.3	176.1	-66.7	165.2	0	0	0	110.8	V405 A452 N905 V907 F913	V405-I909 HydrophobicContact CB-CG2 4.27Å; V405-I909 HydrophobicContact CG1-CG2 3.8Å; V405-I909 HydrophobicContact CG2-CG2 4.34Å; A452-I909 HydrophobicContact CB-CD1 3.66Å; A452-I909 HydrophobicContact CB-CG1 4.03Å; N905-I909 WeakPolarHBondContact O-CB 2.85Å; N905-I909 WeakPolarHBondContact O-CD1 3.45Å; N905-I909 WeakPolarHBondContact O-CG1 3.47Å; N905-I909 PolarHBondContact O-N 3.13Å; V907-I909 PolarHBondContact O-N 3.25Å; I909-F913 VanDerWaalsContact O-CB 3.26Å; I909-F913 WeakPolarHBondContact O-CB 3.49Å; I909-F913 PolarHBondContact O-N 3.47Å
910	I	89.2	Confident	85.4	Confident	58 Å²	58	22.9 Å²	22.9	30%	0.297	12%	0.123	S	C	.	.	H	α-helix	trans	-69.8	-42.1	-178.4	-68	169.9	0	0	0	111	M906 V907 F913 V914 L982 F986	M906-I910 HydrophobicContact CG-CD1 3.81Å; M906-I910 WeakPolarHBondContact O-CB 3.19Å; M906-I910 WeakPolarHBondContact O-CD1 3.37Å; M906-I910 WeakPolarHBondContact O-CG1 3.26Å; M906-I910 PolarHBondContact O-N 3.25Å; V907-I910 PolarHBondContact O-N 3.42Å; I910-F913 PolarHBondContact O-N 3.35Å; I910-V914 HydrophobicContact CG2-CG2 4.14Å; I910-V914 WeakPolarHBondContact O-CB 3.3Å; I910-V914 VanDerWaalsContact O-CG2 3.29Å; I910-V914 WeakPolarHBondContact O-CG2 3.28Å; I910-V914 PolarHBondContact O-N 3.33Å; I910-L982 HydrophobicContact CB-CD1 4.4Å; I910-L982 HydrophobicContact CB-CD2 3.95Å; I910-L982 HydrophobicContact CD1-CD1 3.99Å; I910-L982 HydrophobicContact CG2-CD1 4.02Å; I910-L982 HydrophobicContact CG2-CD2 3.61Å; I910-L982 HydrophobicContact CG2-CG 4.49Å; I910-F986 HydrophobicContact CG2-CZ 4.13Å
911	V	88.8	Confident	84.1	Confident	2 Å²	2	23.6 Å²	23.6	1%	0.012	13%	0.127	C	C	.	.	H	α-helix	trans	-61.2	-46.5	176.8	169.8	0	0	0	0	111.1	V907 G915 P923 L924 L982 I985	V907-V911 HydrophobicContact CG1-CG2 4.05Å; V907-V911 WeakPolarHBondContact O-CB 3.35Å; V907-V911 VanDerWaalsContact O-CG2 3.27Å; V907-V911 WeakPolarHBondContact O-CG2 3.27Å; V907-V911 PolarHBondContact O-N 3.31Å; V911-G915 WeakPolarHBondContact O-CA 3.47Å; V911-G915 PolarHBondContact O-N 2.89Å; V911-P923 HydrophobicContact CG1-CG 3.68Å; V911-L924 HydrophobicContact CG1-CD1 4.3Å; V911-L982 HydrophobicContact CG2-CD2 3.71Å; V911-I985 HydrophobicContact CG1-CG2 3.97Å; V911-I985 HydrophobicContact CG2-CB 4.34Å; V911-I985 HydrophobicContact CG2-CD1 3.96Å; V911-I985 HydrophobicContact CG2-CG2 3.74Å
912	A	82.7	Confident	83.2	Confident	4 Å²	4	24 Å²	24	3%	0.033	13%	0.13	C	C	.	.	H	α-helix	trans	-66.3	-42.4	178.4	0	0	0	0	0	112.3	V448 A908 A916	V448-A912 HydrophobicContact CG2-CB 3.64Å; A908-A912 WeakPolarHBondContact O-CB 3.4Å; A908-A912 PolarHBondContact O-N 2.91Å; A912-A916 VanDerWaalsContact O-CB 3.27Å; A912-A916 WeakPolarHBondContact O-CB 3.38Å; A912-A916 PolarHBondContact O-N 2.95Å
913	F	84	Confident	82.5	Confident	58 Å²	58	22.8 Å²	22.8	25%	0.254	12%	0.124	S	C	.	.	H	α-helix	trans	-63.3	-50.1	177	178.8	-99.8	0	0	0	112.3	V405 L408 I412 I909 I910 C917	V405-F913 HydrophobicContact CG1-CB 4.22Å; V405-F913 HydrophobicContact CG1-CD2 3.91Å; V405-F913 HydrophobicContact CG1-CG 4.31Å; L408-F913 HydrophobicContact CD2-CE2 3.8Å; L408-F913 HydrophobicContact CD2-CZ 4.07Å; L408-F913 HydrophobicContact CG-CE2 4.02Å; I412-F913 HydrophobicContact CD1-CE2 3.96Å; I412-F913 HydrophobicContact CD1-CZ 4.11Å; I909-F913 VanDerWaalsContact O-CB 3.26Å; I909-F913 WeakPolarHBondContact O-CB 3.49Å; I909-F913 PolarHBondContact O-N 3.47Å; I910-F913 PolarHBondContact O-N 3.35Å; F913-C917 WeakPolarHBondContact O-CB 3.41Å; F913-C917 PolarHBondContact O-N 2.86Å; F913-C917 PolarHBondContact O-SG 3.06Å
914	V	86.3	Confident	81.9	Confident	34 Å²	34	23 Å²	23	21%	0.206	12%	0.124	C	C	.	.	H	α-helix	trans	-68.1	-40.3	-179.3	173.5	0	0	0	0	111.2	I910 C917 L918 F986 W990	I910-V914 HydrophobicContact CG2-CG2 4.14Å; I910-V914 WeakPolarHBondContact O-CB 3.3Å; I910-V914 VanDerWaalsContact O-CG2 3.29Å; I910-V914 WeakPolarHBondContact O-CG2 3.28Å; I910-V914 PolarHBondContact O-N 3.33Å; V914-C917 PolarHBondContact O-N 3.46Å; V914-L918 HydrophobicContact CG1-CD1 3.77Å; V914-L918 HydrophobicContact CG1-CG 4.47Å; V914-L918 WeakPolarHBondContact O-CB 3.38Å; V914-L918 WeakPolarHBondContact O-CG 3.34Å; V914-L918 PolarHBondContact O-N 3.41Å; V914-F986 HydrophobicContact CB-CE1 4.06Å; V914-F986 HydrophobicContact CB-CZ 4Å; V914-F986 HydrophobicContact CG1-CE1 3.83Å; V914-F986 HydrophobicContact CG1-CZ 3.92Å; V914-F986 HydrophobicContact CG2-CZ 4.03Å; V914-W990 HydrophobicContact CG1-CH2 4.27Å
915	G	80.2	Confident	81.2	Confident	2 Å²	2	25.1 Å²	25.1	2%	0.021	13%	0.134	C	C	.	.	H	α-helix	trans	-57	-55.7	174.1	0	0	0	0	0	112	V911 C917 L918 I919 D921	V911-G915 WeakPolarHBondContact O-CA 3.47Å; V911-G915 PolarHBondContact O-N 2.89Å; G915-C917 PolarHBondContact O-N 2.98Å; G915-L918 PolarHBondContact O-N 3.08Å; G915-I919 WeakPolarHBondContact O-CA 3.37Å; G915-I919 WeakPolarHBondContact O-CB 3.16Å; G915-I919 PolarHBondContact O-N 3.05Å; G915-D921 CarbonylContact C-O 3.56Å; G915-D921 VanDerWaalsContact C-O 3.3Å
916	A	77.2	Confident	80.5	Confident	1 Å²	1	25.2 Å²	25.2	1%	0.008	14%	0.135	C	C	.	.	H	α-helix	trans	-56.5	-46.4	176.6	0	0	0	0	0	112.6	T409 L413 A912 L918 T920	T409-A916 HydrophobicContact CG2-CB 3.64Å; L413-A916 HydrophobicContact CD1-CB 4.1Å; L413-A916 HydrophobicContact CD2-CB 4.03Å; L413-A916 HydrophobicContact CG-CB 4.18Å; A912-A916 VanDerWaalsContact O-CB 3.27Å; A912-A916 WeakPolarHBondContact O-CB 3.38Å; A912-A916 PolarHBondContact O-N 2.95Å; A916-L918 VanDerWaalsContact C-N 3.35Å; A916-L918 PolarHBondContact O-N 3.28Å; A916-T920 PolarHBondContact O-N 3.46Å
917	C	80.1	Confident	80	Confident	30 Å²	30	22.9 Å²	22.9	20%	0.203	12%	0.124	C	C	.	.	H	α-helix	trans	-60.4	-41.2	-180	-72.3	0	0	0	0	112.8	K416 F913 V914 G915	K416-C917 PolarHBondContact NZ-O 3.35Å; F913-C917 WeakPolarHBondContact O-CB 3.41Å; F913-C917 PolarHBondContact O-N 2.86Å; F913-C917 PolarHBondContact O-SG 3.06Å; V914-C917 PolarHBondContact O-N 3.46Å; G915-C917 PolarHBondContact O-N 2.98Å
918	L	81.2	Confident	79.8	Confident	102 Å²	102	23 Å²	23	53%	0.534	13%	0.125	S	C	.	.	H	α-helix	trans	-98.1	-54.3	-171.5	-59.8	178.5	0	0	0	112.1	K416 V914 G915 A916 T920 W990	K416-L918 PolarHBondContact NZ-O 3.21Å; V914-L918 HydrophobicContact CG1-CD1 3.77Å; V914-L918 HydrophobicContact CG1-CG 4.47Å; V914-L918 WeakPolarHBondContact O-CB 3.38Å; V914-L918 WeakPolarHBondContact O-CG 3.34Å; V914-L918 PolarHBondContact O-N 3.41Å; G915-L918 PolarHBondContact O-N 3.08Å; A916-L918 VanDerWaalsContact C-N 3.35Å; A916-L918 PolarHBondContact O-N 3.28Å; L918-T920 PolarHBondContact O-N 2.98Å; L918-W990 HydrophobicContact CB-CZ2 4.49Å; L918-W990 HydrophobicContact CD1-CH2 3.77Å; L918-W990 HydrophobicContact CD1-CZ2 3.65Å
919	I	73.2	Confident	79.4	Confident	20 Å²	20	23.1 Å²	23.1	10%	0.103	13%	0.126	C	C	.	.	H	α-helix	trans	-84.2	-11.5	-169.1	-50.2	169.2	0	0	0	112.8	G915 D921 I989 R1002	G915-I919 WeakPolarHBondContact O-CA 3.37Å; G915-I919 WeakPolarHBondContact O-CB 3.16Å; G915-I919 PolarHBondContact O-N 3.05Å; I919-D921 PolarHBondContact O-N 2.9Å; I919-I989 HydrophobicContact CD1-CG2 3.49Å; I919-I989 VanDerWaalsContact CD1-CG2 3.49Å; I919-R1002 HydrophobicContact CG2-CB 4.22Å; I919-R1002 HydrophobicContact CG2-CG 4.33Å
920	T	68.5	Low	79.1	Confident	50 Å²	50	22.6 Å²	22.6	31%	0.307	12%	0.123	S	C	.	.	S	Bend	trans	65.3	-1.8	-169.4	58.5	0	0	0	0	116	K416 A916 L918	K416-T920 HydrophobicContact CD-CG2 3.86Å; K416-T920 VanDerWaalsContact NZ-CG2 3.28Å; A916-T920 PolarHBondContact O-N 3.46Å; L918-T920 PolarHBondContact O-N 2.98Å
921	D	65.6	Low	78.9	Confident	15 Å²	15	20.8 Å²	20.8	8%	0.08	11%	0.112	C	C	.	.	S	Bend	trans	-136.9	156.7	177.5	-168	2.7	0	0	0	108.7	G915 I919 K925 S1005	G915-D921 CarbonylContact C-O 3.56Å; G915-D921 VanDerWaalsContact C-O 3.3Å; I919-D921 PolarHBondContact O-N 2.9Å; D921-K925 IonicContact OD1-NZ 2.71Å; D921-K925 PolarHBondContact OD1-NZ 3.07Å; D921-K925 IonicContact OD2-NZ 3.64Å; D921-K925 PolarHBondContact OD2-NZ 3.32Å; D921-S1005 WeakPolarHBondContact OD2-CB 3.43Å
922	S	71.3	Confident	78.9	Confident	10 Å²	10	20.9 Å²	20.9	7%	0.07	11%	0.113	C	C	.	.			trans	-80.7	131.7	171.1	-179.7	0	0	0	0	109.3	L924	S922-L924 VanDerWaalsContact CB-O 3.29Å; S922-L924 WeakPolarHBondContact CB-O 3.4Å; S922-L924 PolarHBondContact O-N 3.35Å; S922-L924 VanDerWaalsContact O-N 3.11Å; S922-L924 PolarHBondContact OG-N 3.15Å; S922-L924 PolarHBondContact OG-O 2.72Å
923	P	75.1	Confident	78.8	Confident	1 Å²	1	21.3 Å²	21.3	1%	0.006	11%	0.114	C	C	.	.	S	Bend	trans	-67.4	-8	174.8	30.9	-37.2	0	0	0	113.1	V911 I989 F1016 I1019	V911-P923 HydrophobicContact CG1-CG 3.68Å; P923-I989 HydrophobicContact CB-CD1 3.88Å; P923-I989 HydrophobicContact CB-CG1 4.3Å; P923-I989 HydrophobicContact CG-CD1 3.81Å; P923-F1016 HydrophobicContact CB-CD1 4.17Å; P923-F1016 HydrophobicContact CB-CE1 4.08Å; P923-I1019 HydrophobicContact CB-CG2 4.46Å
924	L	79.1	Confident	78.7	Confident	5 Å²	5	19.7 Å²	19.7	3%	0.026	11%	0.108	C	C	.	.	S	Bend	trans	-126.7	123	175.8	-59.1	172.8	0	0	0	108.7	V911 S922 M929 F1020 F1023	V911-L924 HydrophobicContact CG1-CD1 4.3Å; S922-L924 VanDerWaalsContact CB-O 3.29Å; S922-L924 WeakPolarHBondContact CB-O 3.4Å; S922-L924 PolarHBondContact O-N 3.35Å; S922-L924 VanDerWaalsContact O-N 3.11Å; S922-L924 PolarHBondContact OG-N 3.15Å; S922-L924 PolarHBondContact OG-O 2.72Å; L924-M929 HydrophobicContact CB-CG 4.02Å; L924-M929 HydrophobicContact CB-SD 3.35Å; L924-M929 WeakPolarHBondContact CB-SD 3.18Å; L924-M929 HydrophobicContact CD1-SD 3.51Å; L924-M929 VanDerWaalsContact CD1-SD 3.51Å; L924-M929 HydrophobicContact CG-SD 4.06Å; L924-F1020 HydrophobicContact CD2-CB 3.87Å; L924-F1020 HydrophobicContact CD2-CD2 4.21Å; L924-F1023 HydrophobicContact CD1-CD1 3.72Å; L924-F1023 HydrophobicContact CD1-CE1 3.91Å
925	K	76.4	Confident	78.7	Confident	46 Å²	46	18.3 Å²	18.3	20%	0.2	10%	0.1	C	C	.	.			trans	-81.7	162.4	-176.9	-64.6	-65.6	179.3	-179.4	0	112.3	D921 V927 Q928 M929	D921-K925 IonicContact OD1-NZ 2.71Å; D921-K925 PolarHBondContact OD1-NZ 3.07Å; D921-K925 IonicContact OD2-NZ 3.64Å; D921-K925 PolarHBondContact OD2-NZ 3.32Å; K925-V927 VanDerWaalsContact C-N 3.35Å; K925-V927 PolarHBondContact O-N 3.13Å; K925-Q928 WeakPolarHBondContact O-CA 3.49Å; K925-Q928 WeakPolarHBondContact O-CB 3.38Å; K925-Q928 PolarHBondContact O-N 3.41Å; K925-M929 WeakPolarHBondContact O-CG 3.42Å; K925-M929 PolarHBondContact O-N 3.14Å
926	A	74.1	Confident	79	Confident	6 Å²	6	18.3 Å²	18.3	5%	0.05	10%	0.099	C	C	.	.	H	α-helix	trans	-52.6	-47.7	-172.4	0	0	0	0	0	113.3	I121 I443 Q928 M929 L930	I121-A926 HydrophobicContact CD1-CB 4.09Å; I121-A926 HydrophobicContact CG1-CB 4.28Å; I443-A926 HydrophobicContact CG2-CB 4.43Å; A926-Q928 VanDerWaalsContact C-N 3.33Å; A926-Q928 PolarHBondContact O-N 3.35Å; A926-M929 PolarHBondContact O-N 3.16Å; A926-L930 WeakPolarHBondContact O-CG 3.26Å; A926-L930 PolarHBondContact O-N 2.94Å
927	V	79.4	Confident	79.3	Confident	12 Å²	12	18.5 Å²	18.5	7%	0.073	10%	0.1	C	C	.	.	H	α-helix	trans	-61.5	-39.2	178	-172.7	0	0	0	0	112.2	A120 I121 K925 L930 W931 F1075	A120-V927 HydrophobicContact CB-CG1 4.45Å; A120-V927 HydrophobicContact CB-CG2 3.58Å; I121-V927 HydrophobicContact CG1-CG2 4.37Å; K925-V927 VanDerWaalsContact C-N 3.35Å; K925-V927 PolarHBondContact O-N 3.13Å; V927-L930 PolarHBondContact O-N 3.15Å; V927-W931 PolarHBondContact O-N 3.19Å; V927-F1075 HydrophobicContact CG1-CD1 3.9Å; V927-F1075 HydrophobicContact CG1-CE1 4.1Å; V927-F1075 HydrophobicContact CG1-CG 4.49Å
928	Q	87.2	Confident	79.2	Confident	1 Å²	1	17.7 Å²	17.7	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-67.1	-39.4	177.8	-63.6	168.7	-11.5	0	0	111.3	K925 A926 W931 V932 F1020 F1075 S1076	K925-Q928 WeakPolarHBondContact O-CA 3.49Å; K925-Q928 WeakPolarHBondContact O-CB 3.38Å; K925-Q928 PolarHBondContact O-N 3.41Å; A926-Q928 VanDerWaalsContact C-N 3.33Å; A926-Q928 PolarHBondContact O-N 3.35Å; Q928-W931 PolarHBondContact O-N 2.87Å; Q928-V932 WeakPolarHBondContact O-CG2 3.22Å; Q928-V932 PolarHBondContact O-N 2.97Å; Q928-F1020 HydrophobicContact CB-CD2 3.82Å; Q928-F1020 HydrophobicContact CB-CE2 3.72Å; Q928-F1020 HydrophobicContact CB-CZ 4.33Å; Q928-F1020 HydrophobicContact CG-CD1 4.49Å; Q928-F1020 HydrophobicContact CG-CD2 4.09Å; Q928-F1020 HydrophobicContact CG-CE1 4.46Å; Q928-F1020 HydrophobicContact CG-CE2 4.05Å; Q928-F1020 HydrophobicContact CG-CG 4.31Å; Q928-F1020 HydrophobicContact CG-CZ 4.24Å; Q928-F1075 VanDerWaalsContact CG-O 3.32Å; Q928-F1075 WeakPolarHBondContact CG-O 3.46Å; Q928-F1075 PolarHBondContact NE2-O 3.21Å; Q928-S1076 PolarHBondContact NE2-O 2.97Å
929	M	81.8	Confident	79.4	Confident	4 Å²	4	15.1 Å²	15.1	2%	0.02	8%	0.081	C	C	.	.	H	α-helix	trans	-67.6	-37.8	176	-64	-61.1	-74.6	0	0	112.2	T447 V451 A908 L924 K925 A926 V932 N933	T447-M929 HydrophobicContact CG2-CB 3.57Å; T447-M929 HydrophobicContact CG2-CG 3.77Å; V451-M929 HydrophobicContact CB-CE 4.26Å; V451-M929 HydrophobicContact CG1-CE 3.9Å; V451-M929 HydrophobicContact CG2-CB 3.95Å; V451-M929 HydrophobicContact CG2-CE 3.75Å; A908-M929 HydrophobicContact CB-CE 4.03Å; L924-M929 HydrophobicContact CB-CG 4.02Å; L924-M929 HydrophobicContact CB-SD 3.35Å; L924-M929 WeakPolarHBondContact CB-SD 3.18Å; L924-M929 HydrophobicContact CD1-SD 3.51Å; L924-M929 VanDerWaalsContact CD1-SD 3.51Å; L924-M929 HydrophobicContact CG-SD 4.06Å; K925-M929 WeakPolarHBondContact O-CG 3.42Å; K925-M929 PolarHBondContact O-N 3.14Å; A926-M929 PolarHBondContact O-N 3.16Å; M929-V932 PolarHBondContact O-N 2.67Å; M929-N933 PolarHBondContact O-N 3.02Å
930	L	78.9	Confident	80.1	Confident	14 Å²	14	14.2 Å²	14.2	7%	0.073	8%	0.076	C	C	.	.	H	α-helix	trans	-66.3	-38	174	-66.4	168.4	0	0	0	112.1	L82 I121 A124 V450 A926 V927 N933 L934	L82-L930 HydrophobicContact CD2-CD1 3.98Å; L82-L930 HydrophobicContact CD2-CD2 3.74Å; L82-L930 HydrophobicContact CD2-CG 4.49Å; I121-L930 HydrophobicContact CG2-CD1 4.37Å; A124-L930 HydrophobicContact CB-CB 4.33Å; A124-L930 HydrophobicContact CB-CD1 3.76Å; V450-L930 HydrophobicContact CG1-CD2 4.23Å; A926-L930 WeakPolarHBondContact O-CG 3.26Å; A926-L930 PolarHBondContact O-N 2.94Å; V927-L930 PolarHBondContact O-N 3.15Å; L930-N933 WeakPolarHBondContact O-CB 3.28Å; L930-N933 PolarHBondContact O-N 3.39Å; L930-L934 PolarHBondContact O-N 3.31Å
931	W	86.8	Confident	80.8	Confident	20 Å²	20	11.8 Å²	11.8	8%	0.076	6%	0.062	C	C	.	.	H	α-helix	trans	-64.2	-44.6	172.4	170.3	-115.6	0	0	0	112.2	V927 Q928 N933 L934 I935 F1020 T1060 L1063 I1067	V927-W931 PolarHBondContact O-N 3.19Å; Q928-W931 PolarHBondContact O-N 2.87Å; W931-N933 VanDerWaalsContact C-N 3.29Å; W931-N933 PolarHBondContact O-N 2.91Å; W931-L934 HydrophobicContact CE3-CD2 4.16Å; W931-L934 HydrophobicContact CZ3-CD2 4.09Å; W931-L934 PolarHBondContact O-N 3.19Å; W931-I935 HydrophobicContact CD2-CD1 4.27Å; W931-I935 HydrophobicContact CD2-CG1 4.32Å; W931-I935 HydrophobicContact CH2-CD1 4.4Å; W931-I935 HydrophobicContact CH2-CG1 4.12Å; W931-I935 HydrophobicContact CZ2-CD1 3.69Å; W931-I935 HydrophobicContact CZ2-CG1 3.91Å; W931-I935 HydrophobicContact CZ3-CG1 4.46Å; W931-I935 WeakPolarHBondContact O-CG1 3.4Å; W931-I935 PolarHBondContact O-N 3.26Å; W931-I935 VanDerWaalsContact O-N 3.09Å; W931-F1020 AromaticContact CD1-CE2 3.97Å; W931-F1020 AromaticContact CD1-CZ 3.64Å; W931-T1060 HydrophobicContact CH2-CG2 4.46Å; W931-T1060 HydrophobicContact CZ2-CG2 4.3Å; W931-L1063 HydrophobicContact CH2-CB 4.15Å; W931-L1063 HydrophobicContact CH2-CD2 3.5Å; W931-L1063 HydrophobicContact CH2-CG 3.63Å; W931-L1063 HydrophobicContact CZ2-CB 4.44Å; W931-L1063 HydrophobicContact CZ2-CD2 4.45Å; W931-L1063 HydrophobicContact CZ2-CG 4.11Å; W931-L1063 HydrophobicContact CZ3-CD2 3.85Å; W931-L1063 HydrophobicContact CZ3-CG 4.28Å; W931-I1067 HydrophobicContact CD2-CD1 3.72Å; W931-I1067 VanDerWaalsContact CE2-CD1 3.43Å; W931-I1067 HydrophobicContact CE3-CD1 4.14Å; W931-I1067 HydrophobicContact CG-CD1 4.27Å; W931-I1067 HydrophobicContact CH2-CD1 4.15Å; W931-I1067 HydrophobicContact CZ2-CD1 3.66Å; W931-I1067 HydrophobicContact CZ3-CD1 4.34Å
932	V	86.9	Confident	81.6	Confident	3 Å²	3	13.5 Å²	13.5	2%	0.018	7%	0.07	C	C	.	.	H	α-helix	trans	-57.8	-43.3	172.5	170.9	0	0	0	0	110.7	V904 Q928 M929 L934 I935 M936 F1020 F1023 V1024	V904-V932 HydrophobicContact CG1-CG1 4.02Å; Q928-V932 WeakPolarHBondContact O-CG2 3.22Å; Q928-V932 PolarHBondContact O-N 2.97Å; M929-V932 PolarHBondContact O-N 2.67Å; V932-L934 PolarHBondContact O-N 3.33Å; V932-I935 PolarHBondContact O-N 3.39Å; V932-M936 HydrophobicContact CG1-SD 4.02Å; V932-M936 WeakPolarHBondContact O-CB 3.47Å; V932-M936 WeakPolarHBondContact O-CG 3.3Å; V932-M936 PolarHBondContact O-N 3.03Å; V932-F1020 HydrophobicContact CG2-CE2 4.43Å; V932-F1023 HydrophobicContact CG1-CE1 3.99Å; V932-F1023 HydrophobicContact CG1-CZ 4.41Å; V932-F1023 HydrophobicContact CG2-CD1 4.29Å; V932-F1023 HydrophobicContact CG2-CE1 4.14Å; V932-V1024 HydrophobicContact CG2-CG2 4.13Å
933	N	81.8	Confident	82.3	Confident	13 Å²	13	13 Å²	13	7%	0.07	7%	0.067	C	C	.	.	H	α-helix	trans	-58.9	-46.5	177	-163.3	25.6	0	0	0	112	M929 L930 W931 I935 M936 D937	M929-N933 PolarHBondContact O-N 3.02Å; L930-N933 WeakPolarHBondContact O-CB 3.28Å; L930-N933 PolarHBondContact O-N 3.39Å; W931-N933 VanDerWaalsContact C-N 3.29Å; W931-N933 PolarHBondContact O-N 2.91Å; N933-I935 PolarHBondContact O-N 3.27Å; N933-M936 WeakPolarHBondContact O-CG 3.34Å; N933-M936 PolarHBondContact O-N 3.49Å; N933-D937 VanDerWaalsContact O-CB 3.28Å; N933-D937 WeakPolarHBondContact O-CB 3.29Å; N933-D937 PolarHBondContact O-N 2.67Å
934	L	82.1	Confident	82.9	Confident	25 Å²	25	13 Å²	13	13%	0.131	7%	0.067	C	C	.	.	I	π-helix	trans	-60.5	-42.7	178.9	-174.6	66.3	0	0	0	112.6	V127 V131 L930 W931 V932 T938 L939	V127-L934 HydrophobicContact CG1-CD2 4.2Å; V131-L934 HydrophobicContact CG1-CD1 4.25Å; L930-L934 PolarHBondContact O-N 3.31Å; W931-L934 HydrophobicContact CE3-CD2 4.16Å; W931-L934 HydrophobicContact CZ3-CD2 4.09Å; W931-L934 PolarHBondContact O-N 3.19Å; V932-L934 PolarHBondContact O-N 3.33Å; L934-T938 PolarHBondContact O-N 2.83Å; L934-L939 PolarHBondContact O-N 3.12Å; L934-L939 VanDerWaalsContact O-N 3.14Å
935	I	85.9	Confident	83.1	Confident	4 Å²	4	12.8 Å²	12.8	2%	0.021	7%	0.066	C	C	.	.	I	π-helix	trans	-59.7	-57.7	171.9	-63.7	174.6	0	0	0	109.7	W931 V932 N933 D937 L939 A940 V1024 T1060	W931-I935 HydrophobicContact CD2-CD1 4.27Å; W931-I935 HydrophobicContact CD2-CG1 4.32Å; W931-I935 HydrophobicContact CH2-CD1 4.4Å; W931-I935 HydrophobicContact CH2-CG1 4.12Å; W931-I935 HydrophobicContact CZ2-CD1 3.69Å; W931-I935 HydrophobicContact CZ2-CG1 3.91Å; W931-I935 HydrophobicContact CZ3-CG1 4.46Å; W931-I935 WeakPolarHBondContact O-CG1 3.4Å; W931-I935 PolarHBondContact O-N 3.26Å; W931-I935 VanDerWaalsContact O-N 3.09Å; V932-I935 PolarHBondContact O-N 3.39Å; N933-I935 PolarHBondContact O-N 3.27Å; I935-D937 VanDerWaalsContact C-N 3.32Å; I935-D937 PolarHBondContact O-N 3.34Å; I935-L939 PolarHBondContact O-N 3.37Å; I935-A940 WeakPolarHBondContact O-CB 3.49Å; I935-A940 PolarHBondContact O-N 2.9Å; I935-V1024 HydrophobicContact CD1-CG1 3.88Å; I935-T1060 HydrophobicContact CB-CG2 4.46Å; I935-T1060 HydrophobicContact CD1-CG2 3.69Å; I935-T1060 HydrophobicContact CG1-CG2 3.66Å; I935-T1060 HydrophobicContact CG2-CG2 4.05Å
936	M	86.4	Confident	83.5	Confident	2 Å²	2	10.8 Å²	10.8	1%	0.01	6%	0.057	C	C	.	.	I	π-helix	trans	-76.1	-22.8	-160.6	72.2	-179.1	-81.9	0	0	114.2	F900 Q901 V904 N905 V932 N933	F900-M936 HydrophobicContact CE1-CB 4.01Å; F900-M936 WeakPolarHBondContact CE1-O 3.34Å; F900-M936 HydrophobicContact CZ-CB 4.39Å; Q901-M936 HydrophobicContact CG-CE 3.87Å; Q901-M936 WeakPolarHBondContact O-CE 3.3Å; V904-M936 HydrophobicContact CB-CB 4.43Å; V904-M936 HydrophobicContact CB-CE 3.58Å; V904-M936 HydrophobicContact CB-SD 4.02Å; V904-M936 HydrophobicContact CG1-CB 4.18Å; V904-M936 HydrophobicContact CG1-CE 3.75Å; V904-M936 HydrophobicContact CG1-CG 4.5Å; V904-M936 HydrophobicContact CG1-SD 3.47Å; V904-M936 WeakPolarHBondContact CG1-SD 3.4Å; N905-M936 HydrophobicContact CB-CE 4.47Å; N905-M936 WeakPolarHBondContact OD1-CE 3.43Å; V932-M936 HydrophobicContact CG1-SD 4.02Å; V932-M936 WeakPolarHBondContact O-CB 3.47Å; V932-M936 WeakPolarHBondContact O-CG 3.3Å; V932-M936 PolarHBondContact O-N 3.03Å; N933-M936 WeakPolarHBondContact O-CG 3.34Å; N933-M936 PolarHBondContact O-N 3.49Å
937	D	83.1	Confident	84	Confident	5 Å²	5	11.3 Å²	11.3	3%	0.027	6%	0.059	C	C	.	.	I	π-helix	trans	-106.8	-56.3	-174	-156.7	3	0	0	0	110.8	E455 G456 Q901 N933 I935 S941	E455-D937 PolarHBondContact N-OD2 3.25Å; G456-D937 VanDerWaalsContact C-OD1 3.27Å; G456-D937 WeakPolarHBondContact CA-OD1 3.36Å; G456-D937 PolarHBondContact N-OD1 3Å; G456-D937 VanDerWaalsContact N-OD1 3.08Å; G456-D937 PolarHBondContact N-OD2 3.25Å; Q901-D937 PolarHBondContact NE2-OD1 3Å; N933-D937 VanDerWaalsContact O-CB 3.28Å; N933-D937 WeakPolarHBondContact O-CB 3.29Å; N933-D937 PolarHBondContact O-N 2.67Å; I935-D937 VanDerWaalsContact C-N 3.32Å; I935-D937 PolarHBondContact O-N 3.34Å; D937-S941 WeakPolarHBondContact O-CB 3.4Å; D937-S941 PolarHBondContact O-N 3.43Å; D937-S941 PolarHBondContact O-OG 3.4Å
938	T	79.3	Confident	84.3	Confident	14 Å²	14	14.7 Å²	14.7	9%	0.086	8%	0.076	C	C	.	.	I	π-helix	trans	-85	-48.4	-176.3	-61.7	0	0	0	0	113.8	V131 N135 L934 S941 L942	V131-T938 HydrophobicContact CG1-CG2 3.58Å; N135-T938 VanDerWaalsContact ND2-CG2 3.31Å; N135-T938 WeakPolarHBondContact ND2-CG2 3.48Å; L934-T938 PolarHBondContact O-N 2.83Å; T938-S941 PolarHBondContact O-OG 3.43Å; T938-L942 PolarHBondContact O-N 2.91Å
939	L	85.1	Confident	84.3	Confident	47 Å²	47	15.7 Å²	15.7	25%	0.246	8%	0.082	C	C	.	.	I	π-helix	trans	-70.1	-46.3	-177.8	-63.3	-179	0	0	0	111.1	L934 I935 S941 L942 A943 I1056 T1060	L934-L939 PolarHBondContact O-N 3.12Å; L934-L939 VanDerWaalsContact O-N 3.14Å; I935-L939 PolarHBondContact O-N 3.37Å; L939-S941 PolarHBondContact O-N 2.93Å; L939-L942 PolarHBondContact O-N 3.21Å; L939-A943 WeakPolarHBondContact O-CB 3.28Å; L939-A943 PolarHBondContact O-N 3.32Å; L939-I1056 HydrophobicContact CB-CG2 3.9Å; L939-T1060 HydrophobicContact CD1-CG2 4.49Å
940	A	86.3	Confident	84.5	Confident	1 Å²	1	18.7 Å²	18.7	1%	0.008	10%	0.101	C	C	.	.	H	α-helix	trans	-68.8	-30.2	178.6	0	0	0	0	0	113.7	F897 F900 I935 A943 L944	F897-A940 HydrophobicContact CE2-CB 4.44Å; F900-A940 HydrophobicContact CD1-CB 3.65Å; F900-A940 HydrophobicContact CE1-CB 3.22Å; F900-A940 HydrophobicContact CZ-CB 4.09Å; I935-A940 WeakPolarHBondContact O-CB 3.49Å; I935-A940 PolarHBondContact O-N 2.9Å; A940-A943 PolarHBondContact O-N 3.34Å; A940-L944 VanDerWaalsContact O-CB 3.3Å; A940-L944 WeakPolarHBondContact O-CB 3.19Å; A940-L944 WeakPolarHBondContact O-CG 3.34Å; A940-L944 PolarHBondContact O-N 3.47Å
941	S	84	Confident	84.9	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-65.3	-45.9	171	57.4	0	0	0	0	110.9	F897 D937 T938 L939 A943 L944 A945	F897-S941 VanDerWaalsContact CD2-CA 3.47Å; D937-S941 WeakPolarHBondContact O-CB 3.4Å; D937-S941 PolarHBondContact O-N 3.43Å; D937-S941 PolarHBondContact O-OG 3.4Å; T938-S941 PolarHBondContact O-OG 3.43Å; L939-S941 PolarHBondContact O-N 2.93Å; S941-A943 VanDerWaalsContact C-N 3.29Å; S941-A943 PolarHBondContact O-N 2.89Å; S941-L944 PolarHBondContact O-N 2.9Å; S941-A945 WeakPolarHBondContact O-CB 3.26Å; S941-A945 PolarHBondContact O-N 3.18Å
942	L	82.7	Confident	84.8	Confident	50 Å²	50	27.5 Å²	27.5	26%	0.262	14%	0.142	S	C	.	.	H	α-helix	trans	-62	-35.8	176.6	-175	61.8	0	0	0	112.7	I463 T938 L939 T946 L1052 I1056	I463-L942 HydrophobicContact CG2-CD1 4.17Å; T938-L942 PolarHBondContact O-N 2.91Å; L939-L942 PolarHBondContact O-N 3.21Å; L942-T946 WeakPolarHBondContact O-CG2 3.4Å; L942-T946 PolarHBondContact O-OG1 3.49Å; L942-L1052 HydrophobicContact CD1-CD2 4.09Å; L942-L1052 HydrophobicContact CG-CD2 4.11Å; L942-I1056 HydrophobicContact CB-CD1 3.97Å; L942-I1056 HydrophobicContact CD2-CD1 3.87Å; L942-I1056 HydrophobicContact CG-CD1 3.73Å
943	A	86.1	Confident	84.8	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-72.6	-47.1	178.1	0	0	0	0	0	113.4	L939 A940 S941 T946 E1031 N1050 F1053 I1056	L939-A943 WeakPolarHBondContact O-CB 3.28Å; L939-A943 PolarHBondContact O-N 3.32Å; A940-A943 PolarHBondContact O-N 3.34Å; S941-A943 VanDerWaalsContact C-N 3.29Å; S941-A943 PolarHBondContact O-N 2.89Å; A943-T946 PolarHBondContact O-OG1 3.4Å; A943-E1031 WeakPolarHBondContact CB-OE1 3.47Å; A943-N1050 PolarHBondContact O-ND2 3.22Å; A943-N1050 VanDerWaalsContact O-ND2 3.09Å; A943-F1053 HydrophobicContact CB-CD2 3.79Å; A943-F1053 HydrophobicContact CB-CE2 4.39Å; A943-F1053 HydrophobicContact CB-CG 4.49Å; A943-I1056 HydrophobicContact CB-CB 4.23Å; A943-I1056 HydrophobicContact CB-CD1 3.91Å; A943-I1056 HydrophobicContact CB-CG2 4.11Å
944	L	87.4	Confident	85.2	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-88.5	-26	-173.3	-66.5	170.2	0	0	0	113.9	F897 F900 A940 S941 T946 E1031 R1035 F1053	F897-L944 HydrophobicContact CB-CB 4.16Å; F897-L944 HydrophobicContact CB-CD1 4.43Å; F900-L944 HydrophobicContact CB-CD1 4Å; F900-L944 HydrophobicContact CD1-CD1 4.35Å; F900-L944 HydrophobicContact CG-CD1 4.26Å; A940-L944 VanDerWaalsContact O-CB 3.3Å; A940-L944 WeakPolarHBondContact O-CB 3.19Å; A940-L944 WeakPolarHBondContact O-CG 3.34Å; A940-L944 PolarHBondContact O-N 3.47Å; S941-L944 PolarHBondContact O-N 2.9Å; L944-T946 VanDerWaalsContact C-N 3.28Å; L944-T946 PolarHBondContact O-N 3.25Å; L944-E1031 HydrophobicContact CD1-CG 4.23Å; L944-R1035 HydrophobicContact CD2-CB 4.43Å; L944-F1053 HydrophobicContact CD2-CD2 4.12Å; L944-F1053 HydrophobicContact CD2-CE2 3.72Å; L944-F1053 HydrophobicContact CG-CE2 4.37Å
945	A	84.5	Confident	85.5	Confident	1 Å²	1	31.7 Å²	31.7	1%	0.008	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-11.6	-178.2	0	0	0	0	0	114.6	S464 S941	S464-A945 WeakPolarHBondContact CB-O 3.5Å; S464-A945 PolarHBondContact OG-O 2.9Å; S941-A945 WeakPolarHBondContact O-CB 3.26Å; S941-A945 PolarHBondContact O-N 3.18Å
946	T	83.9	Confident	85.5	Confident	4 Å²	4	34 Å²	34	3%	0.025	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.4	13.7	-168.8	57.2	0	0	0	0	114.4	I463 Y467 L942 A943 L944 N1050 L1052	I463-T946 HydrophobicContact CG2-CG2 4.3Å; Y467-T946 HydrophobicContact CD1-CG2 4.28Å; Y467-T946 WeakPolarHBondContact CE1-O 3.41Å; Y467-T946 HydrophobicContact CG-CG2 4.26Å; L942-T946 WeakPolarHBondContact O-CG2 3.4Å; L942-T946 PolarHBondContact O-OG1 3.49Å; A943-T946 PolarHBondContact O-OG1 3.4Å; L944-T946 VanDerWaalsContact C-N 3.28Å; L944-T946 PolarHBondContact O-N 3.25Å; T946-N1050 PolarHBondContact OG1-ND2 3.32Å; T946-L1052 HydrophobicContact CG2-CD2 4.07Å
947	E	83.7	Confident	85.5	Confident	18 Å²	18	36.8 Å²	36.8	8%	0.084	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-61.8	152.6	175.7	-73.7	-145.7	114.3	0	0	113	N889 K896 R1035	N889-E947 PolarHBondContact ND2-O 3.5Å; K896-E947 WeakPolarHBondContact CE-OE2 3.48Å; K896-E947 IonicContact NZ-OE2 2.74Å; K896-E947 PolarHBondContact NZ-OE2 3.42Å; E947-R1035 IonicContact OE1-CZ 3.63Å; E947-R1035 VanDerWaalsContact OE1-CZ 3.22Å; E947-R1035 IonicContact OE1-NE 2.65Å; E947-R1035 PolarHBondContact OE1-NE 3.45Å; E947-R1035 IonicContact OE1-NH2 3.27Å; E947-R1035 PolarHBondContact OE1-NH2 3.05Å
948	I	86.3	Confident	85.6	Confident	82 Å²	82	37.8 Å²	37.8	42%	0.421	20%	0.2	S	C	.	.	P	Polyproline II helix	trans	-93.1	137.2	-178.5	-58.4	175.7	0	0	0	108.7
949	P	87.5	Confident	85.4	Confident	22 Å²	22	38.6 Å²	38.6	14%	0.143	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-58.6	154.4	177.2	22.4	-34.2	0	0	0	113.8	M885 W886 N889 L953	M885-P949 HydrophobicContact CG-CB 3.8Å; M885-P949 HydrophobicContact SD-CB 3.85Å; M885-P949 HydrophobicContact SD-CG 4.38Å; W886-P949 HydrophobicContact CD2-CG 3.96Å; W886-P949 HydrophobicContact CE3-CG 4.12Å; W886-P949 VanDerWaalsContact CH2-CD 3.47Å; W886-P949 HydrophobicContact CH2-CG 3.99Å; W886-P949 HydrophobicContact CZ2-CG 3.83Å; W886-P949 HydrophobicContact CZ3-CG 4.14Å; N889-P949 HydrophobicContact CB-CB 3.89Å; P949-L953 HydrophobicContact CB-CD1 3.98Å
950	T	86.1	Confident	84.7	Confident	67 Å²	67	36.5 Å²	36.5	41%	0.411	19%	0.191	S	C	.	.			trans	-123.6	155	173.5	59.4	0	0	0	0	110.9	E952 L953	T950-E952 PolarHBondContact O-N 2.9Å; T950-L953 VanDerWaalsContact O-CB 3.32Å; T950-L953 WeakPolarHBondContact O-CB 3.4Å; T950-L953 WeakPolarHBondContact O-CG 3.34Å; T950-L953 PolarHBondContact O-N 3.37Å; T950-L953 VanDerWaalsContact O-N 3.15Å
951	E	86.7	Confident	84	Confident	115 Å²	115	39 Å²	39	54%	0.537	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-65.9	-21.3	176.8	-64.6	-134	109.3	0	0	113	K737 M885 L953 L954	K737-E951 IonicContact NZ-OE1 2.83Å; K737-E951 PolarHBondContact NZ-OE1 2.92Å; K737-E951 IonicContact NZ-OE2 3.79Å; K737-E951 PolarHBondContact NZ-OE2 3.49Å; M885-E951 HydrophobicContact CE-CG 4.13Å; E951-L953 PolarHBondContact O-N 3.49Å; E951-L953 VanDerWaalsContact O-N 3.09Å; E951-L954 WeakPolarHBondContact O-CB 3.43Å; E951-L954 PolarHBondContact O-N 3.03Å
952	E	85.8	Confident	83.3	Confident	104 Å²	104	41.5 Å²	41.5	49%	0.486	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-51.2	-31.2	170.5	-61.6	176.3	-170.8	0	0	112.1	T950 L954 E955 Q1040	T950-E952 PolarHBondContact O-N 2.9Å; E952-L954 PolarHBondContact O-N 3.39Å; E952-E955 PolarHBondContact O-N 3.01Å; E952-E955 VanDerWaalsContact O-N 3.1Å; E952-Q1040 PolarHBondContact OE2-NE2 2.95Å
953	L	87.2	Confident	82.8	Confident	10 Å²	10	43.7 Å²	43.7	5%	0.052	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-63.3	-19.3	177.7	-61.5	176	0	0	0	113.4	M885 R888 N889 D892 P949 T950 E951	M885-L953 HydrophobicContact CG-CB 4.42Å; M885-L953 HydrophobicContact CG-CD1 4.33Å; R888-L953 HydrophobicContact CB-CB 4.27Å; R888-L953 HydrophobicContact CB-CD1 4.47Å; R888-L953 WeakPolarHBondContact CD-O 3.46Å; R888-L953 PolarHBondContact NH1-O 3.23Å; N889-L953 HydrophobicContact CB-CD1 3.76Å; D892-L953 VanDerWaalsContact OD2-CD2 3.31Å; D892-L953 WeakPolarHBondContact OD2-CD2 3.44Å; P949-L953 HydrophobicContact CB-CD1 3.98Å; T950-L953 VanDerWaalsContact O-CB 3.32Å; T950-L953 WeakPolarHBondContact O-CB 3.4Å; T950-L953 WeakPolarHBondContact O-CG 3.34Å; T950-L953 PolarHBondContact O-N 3.37Å; T950-L953 VanDerWaalsContact O-N 3.15Å; E951-L953 PolarHBondContact O-N 3.49Å; E951-L953 VanDerWaalsContact O-N 3.09Å
954	L	89.3	Confident	82.3	Confident	11 Å²	11	47.7 Å²	47.7	6%	0.058	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-95.8	0.4	177.6	-60.4	-178.6	0	0	0	113.5	K737 A741 V881 V884 M885 E951 E952	K737-L954 HydrophobicContact CD-CD1 4.39Å; A741-L954 WeakPolarHBondContact CA-O 3.47Å; A741-L954 HydrophobicContact CB-CB 4.37Å; A741-L954 HydrophobicContact CB-CD2 4.34Å; A741-L954 WeakPolarHBondContact CB-O 3.3Å; A741-L954 PolarHBondContact N-O 3.37Å; V881-L954 HydrophobicContact CG1-CD1 3.74Å; V884-L954 HydrophobicContact CG1-CD2 4Å; M885-L954 HydrophobicContact CB-CD2 4.27Å; M885-L954 HydrophobicContact CE-CD1 3.57Å; M885-L954 HydrophobicContact CE-CG 4.15Å; M885-L954 HydrophobicContact CG-CG 4.44Å; E951-L954 WeakPolarHBondContact O-CB 3.43Å; E951-L954 PolarHBondContact O-N 3.03Å; E952-L954 PolarHBondContact O-N 3.39Å
955	E	88.5	Confident	81.8	Confident	109 Å²	109	48.4 Å²	48.4	51%	0.509	25%	0.253	S	S	.	.	S	Bend	trans	-93.8	-9.1	178.9	-54.1	-160.3	138.4	0	0	113.5	R740 E952	R740-E955 IonicContact CZ-OE1 3.92Å; R740-E955 IonicContact NH1-OE1 2.68Å; R740-E955 PolarHBondContact NH1-OE1 3.27Å; R740-E955 IonicContact NH2-OE1 2.75Å; R740-E955 PolarHBondContact NH2-OE1 3.36Å; R740-E955 IonicContact NH2-OE2 2.66Å; E952-E955 PolarHBondContact O-N 3.01Å; E952-E955 VanDerWaalsContact O-N 3.1Å
956	R	85.7	Confident	81.7	Confident	52 Å²	52	49.6 Å²	49.6	20%	0.196	26%	0.259	C	S	.	.	S	Bend	trans	-106.4	159.6	178.9	69	179.5	-167.4	-140.1	3.5	112.8	A741 R888 D892 Y959 H1038	A741-R956 CarbonylContact C-O 3.58Å; A741-R956 VanDerWaalsContact O-O 3.06Å; R888-R956 PolarHBondContact NH1-O 3.32Å; D892-R956 IonicContact OD1-CZ 3.76Å; D892-R956 IonicContact OD1-NH1 2.7Å; D892-R956 IonicContact OD1-NH2 3.92Å; D892-R956 PolarHBondContact OD1-NH2 3.48Å; D892-R956 IonicContact OD2-CZ 2.88Å; D892-R956 VanDerWaalsContact OD2-CZ 3.3Å; D892-R956 IonicContact OD2-NH1 2.67Å; D892-R956 PolarHBondContact OD2-NH1 3.33Å; D892-R956 IonicContact OD2-NH2 3.71Å; D892-R956 PolarHBondContact OD2-NH2 3.35Å; R956-Y959 VanDerWaalsContact CZ-OH 3.31Å; R956-Y959 PolarHBondContact NH2-OH 3.01Å; R956-H1038 PolarHBondContact NH1-CE1 2.96Å; R956-H1038 PolarHBondContact NH1-NE2 3.31Å
957	A	86.1	Confident	81.6	Confident	61 Å²	61	51.7 Å²	51.7	50%	0.504	27%	0.274	S	S	.	.			trans	-65.8	157.1	168.4	0	0	0	0	0	112.8
958	P	85.3	Confident	81.5	Confident	25 Å²	25	54.5 Å²	54.5	16%	0.162	28%	0.284	C	S	.	.			trans	-65.9	155.9	171.2	28.3	-34.8	0	0	0	112.2	T492 A741	T492-P958 HydrophobicContact CG2-CB 4.37Å; T492-P958 HydrophobicContact CG2-CG 3.81Å; A741-P958 WeakPolarHBondContact O-CD 3.03Å
959	Y	75.2	Confident	81.4	Confident	31 Å²	31	53.5 Å²	53.5	12%	0.122	28%	0.279	C	S	.	.			trans	-77.3	-20.4	-179	-63.5	-62.9	0	0	0	114.1	Y891 D892 R956 K963 H1038	Y891-Y959 AromaticContact CD1-CD2 3.59Å; Y891-Y959 HydrophobicContact CD1-CD2 3.59Å; Y891-Y959 AromaticContact CD1-CE2 3.2Å; Y891-Y959 HydrophobicContact CD1-CE2 3.2Å; Y891-Y959 HydrophobicContact CD2-CD2 4.41Å; Y891-Y959 AromaticContact CE1-CD2 3.56Å; Y891-Y959 HydrophobicContact CE1-CD2 3.56Å; Y891-Y959 AromaticContact CE1-CE2 3.41Å; Y891-Y959 HydrophobicContact CE1-CE2 3.41Å; Y891-Y959 VanDerWaalsContact CE1-CE2 3.41Å; Y891-Y959 HydrophobicContact CE1-CG 4.21Å; Y891-Y959 AromaticContact CE1-CZ 3.94Å; Y891-Y959 HydrophobicContact CE2-CD2 4.37Å; Y891-Y959 HydrophobicContact CG-CD2 4.03Å; Y891-Y959 AromaticContact CG-CE2 3.95Å; Y891-Y959 HydrophobicContact CG-CE2 3.95Å; Y891-Y959 AromaticContact CZ-CD2 3.96Å; D892-Y959 PolarHBondContact OD1-OH 3.45Å; R956-Y959 VanDerWaalsContact CZ-OH 3.31Å; R956-Y959 PolarHBondContact NH2-OH 3.01Å; Y959-K963 HydrophobicContact CD1-CD 4.26Å; Y959-K963 WeakPolarHBondContact O-CB 3.31Å; Y959-K963 WeakPolarHBondContact O-CD 3.13Å; Y959-H1038 PolarHBondContact OH-NE2 3.43Å
960	G	71.1	Confident	81.4	Confident	3 Å²	3	52.5 Å²	52.5	3%	0.031	27%	0.273	C	S	.	.			trans	75.4	174.3	-177	0	0	0	0	0	114.3
961	R	71.3	Confident	81.4	Confident	53 Å²	53	50.3 Å²	50.3	20%	0.2	26%	0.258	C	S	.	.	S	Bend	trans	-72.6	-43.1	-176.4	-55.7	-176.1	99	106.5	3.5	112.6	K390 R830 R831 E832 V833 D851	K390-R961 WeakPolarHBondContact CE-O 3.37Å; K390-R961 PolarHBondContact NZ-O 3.13Å; R830-R961 WeakPolarHBondContact O-CB 3.33Å; R830-R961 PolarHBondContact O-N 2.76Å; R831-R961 HydrophobicContact CB-CB 4.24Å; R831-R961 HydrophobicContact CB-CG 4.04Å; E832-R961 WeakPolarHBondContact O-CD 3.34Å; E832-R961 PolarHBondContact O-NH1 3.2Å; V833-R961 HydrophobicContact CG2-CG 3.52Å; D851-R961 IonicContact OD1-CZ 2.67Å; D851-R961 VanDerWaalsContact OD1-CZ 3.25Å; D851-R961 IonicContact OD1-NH1 2.83Å; D851-R961 PolarHBondContact OD1-NH1 3.24Å; D851-R961 IonicContact OD1-NH2 3.95Å; D851-R961 PolarHBondContact OD1-NH2 3.2Å; D851-R961 IonicContact OD2-CZ 2.86Å; D851-R961 IonicContact OD2-NH1 3.87Å; D851-R961 PolarHBondContact OD2-NH1 3.2Å; D851-R961 IonicContact OD2-NH2 3.96Å
962	T	69.2	Low	81.5	Confident	53 Å²	53	46 Å²	46	33%	0.325	24%	0.238	S	C	.	.	S	Bend	trans	-84.4	-27	-167.1	52.3	0	0	0	0	114.5	T829 R830	T829-T962 WeakPolarHBondContact O-CG2 3.48Å; T829-T962 PolarHBondContact O-OG1 3.26Å; T829-T962 VanDerWaalsContact O-OG1 3.07Å; R830-T962 WeakPolarHBondContact CA-OG1 3.33Å; R830-T962 PolarHBondContact O-N 2.89Å
963	K	73.1	Confident	81.7	Confident	97 Å²	97	41.9 Å²	41.9	42%	0.422	22%	0.219	S	C	.	.	S	Bend	trans	-54	134.2	-173.9	-163.3	164.4	-170.2	151	0	112.6	K390 Y959	K390-K963 PolarHBondContact NZ-O 2.99Å; Y959-K963 HydrophobicContact CD1-CD 4.26Å; Y959-K963 WeakPolarHBondContact O-CB 3.31Å; Y959-K963 WeakPolarHBondContact O-CD 3.13Å
964	P	74.4	Confident	81.9	Confident	83 Å²	83	42 Å²	42	54%	0.539	22%	0.22	S	C	.	.			trans	-66.7	148.2	179.3	27.2	-35.2	0	0	0	111.6	I966	P964-I966 VanDerWaalsContact C-N 3.34Å
965	I	77.8	Confident	82	Confident	15 Å²	15	45.5 Å²	45.5	8%	0.077	24%	0.237	C	C	.	.	S	Bend	trans	-61	-47.7	174.5	-56	176.4	0	0	0	109.9	L387 K390 L391 L898 S967	L387-I965 HydrophobicContact CD1-CD1 3.52Å; L387-I965 HydrophobicContact CD1-CG1 3.82Å; L387-I965 HydrophobicContact CG-CD1 4.49Å; K390-I965 HydrophobicContact CB-CD1 3.61Å; K390-I965 HydrophobicContact CB-CG1 4.09Å; K390-I965 HydrophobicContact CD-CD1 4.41Å; K390-I965 HydrophobicContact CD-CG1 4Å; L391-I965 HydrophobicContact CD2-CD1 3.51Å; L391-I965 HydrophobicContact CG-CD1 3.75Å; L898-I965 HydrophobicContact CD1-CG2 4.43Å; I965-S967 PolarHBondContact O-N 3.39Å
966	I	82.3	Confident	82.1	Confident	26 Å²	26	41.1 Å²	41.1	13%	0.133	22%	0.221	C	C	.	.	S	Bend	trans	-83.7	105.4	-177	-37.3	-180	0	0	0	108.9	L394 L898 L902 P964 M970 I971 I974	L394-I966 HydrophobicContact CD1-CD1 4.02Å; L394-I966 HydrophobicContact CD2-CD1 4.16Å; L898-I966 HydrophobicContact CD2-CD1 4.21Å; L898-I966 HydrophobicContact CD2-CG1 4.01Å; L902-I966 HydrophobicContact CD1-CD1 3.68Å; P964-I966 VanDerWaalsContact C-N 3.34Å; I966-M970 HydrophobicContact CB-SD 4.27Å; I966-M970 HydrophobicContact CG2-CB 4.18Å; I966-M970 HydrophobicContact CG2-CE 4.18Å; I966-M970 HydrophobicContact CG2-CG 3.87Å; I966-M970 HydrophobicContact CG2-SD 3.76Å; I966-I971 HydrophobicContact CB-CG1 4.42Å; I966-I971 HydrophobicContact CG2-CD1 4.07Å; I966-I971 HydrophobicContact CG2-CG1 3.48Å; I966-I971 VanDerWaalsContact CG2-CG1 3.48Å; I966-I974 HydrophobicContact CG2-CD1 4.2Å
967	S	81.9	Confident	82.5	Confident	48 Å²	48	39 Å²	39	34%	0.336	21%	0.214	S	C	.	.			trans	-78	161.6	-179	73.8	0	0	0	0	112.8	I965 N969 M970 I971	I965-S967 PolarHBondContact O-N 3.39Å; S967-N969 PolarHBondContact O-N 3.24Å; S967-M970 WeakPolarHBondContact O-CB 3.07Å; S967-M970 PolarHBondContact O-N 3.45Å; S967-M970 WeakPolarHBondContact OG-CB 3.39Å; S967-M970 PolarHBondContact OG-N 3.25Å; S967-M970 VanDerWaalsContact OG-N 3.13Å; S967-I971 WeakPolarHBondContact O-CG1 3.39Å; S967-I971 PolarHBondContact O-N 2.96Å
968	R	81	Confident	82.8	Confident	78 Å²	78	36.2 Å²	36.2	29%	0.294	19%	0.19	S	C	.	.	H	α-helix	trans	-54.5	-39.7	175.8	-58.4	-179.8	-170.9	157	1.3	111.5	K972 V1107 E1182 E1190	R968-K972 PolarHBondContact O-N 2.98Å; R968-K972 VanDerWaalsContact O-N 3.1Å; R968-V1107 HydrophobicContact CB-CG1 4.07Å; R968-E1182 IonicContact NH2-OE1 2.73Å; R968-E1182 PolarHBondContact NH2-OE1 3.49Å; R968-E1190 IonicContact CZ-OE1 2.94Å; R968-E1190 IonicContact CZ-OE2 3.22Å; R968-E1190 VanDerWaalsContact NH1-CD 3.35Å; R968-E1190 IonicContact NH1-OE1 3.59Å; R968-E1190 PolarHBondContact NH1-OE1 3.37Å; R968-E1190 IonicContact NH1-OE2 2.82Å; R968-E1190 PolarHBondContact NH1-OE2 3.45Å; R968-E1190 IonicContact NH2-OE1 3.22Å; R968-E1190 IonicContact NH2-OE2 3.17Å; R968-E1190 PolarHBondContact NH2-OE2 3.29Å
969	N	83.5	Confident	83.2	Confident	60 Å²	60	39.1 Å²	39.1	32%	0.321	21%	0.207	S	C	.	.	H	α-helix	trans	-67	-40.8	174.2	-74.6	-14.4	0	0	0	113.6	S967 I971 K972 N973 V1107	S967-N969 PolarHBondContact O-N 3.24Å; N969-I971 VanDerWaalsContact C-N 3.32Å; N969-I971 PolarHBondContact O-N 3.4Å; N969-K972 WeakPolarHBondContact O-CB 3.46Å; N969-K972 PolarHBondContact O-N 3.34Å; N969-N973 VanDerWaalsContact O-CG 3.31Å; N969-N973 PolarHBondContact O-N 3Å; N969-N973 PolarHBondContact O-OD1 3.04Å; N969-V1107 WeakPolarHBondContact OD1-CG2 3.24Å
970	M	87.9	Confident	84.2	Confident	2 Å²	2	39.7 Å²	39.7	1%	0.01	21%	0.209	C	C	.	.	H	α-helix	trans	-65.4	-37.5	178	-175.3	177.5	173.8	0	0	111.5	S895 L898 Q899 I966 S967 N973 I974	S895-M970 VanDerWaalsContact O-CE 3.24Å; S895-M970 WeakPolarHBondContact O-CE 3.34Å; L898-M970 HydrophobicContact CB-CE 3.98Å; L898-M970 HydrophobicContact CD2-CE 3.39Å; L898-M970 HydrophobicContact CG-CE 4.3Å; Q899-M970 HydrophobicContact CB-CE 3.89Å; Q899-M970 HydrophobicContact CB-CG 4.08Å; Q899-M970 HydrophobicContact CG-CG 3.91Å; Q899-M970 VanDerWaalsContact N-CE 3.31Å; I966-M970 HydrophobicContact CB-SD 4.27Å; I966-M970 HydrophobicContact CG2-CB 4.18Å; I966-M970 HydrophobicContact CG2-CE 4.18Å; I966-M970 HydrophobicContact CG2-CG 3.87Å; I966-M970 HydrophobicContact CG2-SD 3.76Å; S967-M970 WeakPolarHBondContact O-CB 3.07Å; S967-M970 PolarHBondContact O-N 3.45Å; S967-M970 WeakPolarHBondContact OG-CB 3.39Å; S967-M970 PolarHBondContact OG-N 3.25Å; S967-M970 VanDerWaalsContact OG-N 3.13Å; M970-N973 PolarHBondContact O-N 3.2Å; M970-I974 HydrophobicContact CE-CD1 4.49Å; M970-I974 HydrophobicContact CG-CD1 4.04Å; M970-I974 WeakPolarHBondContact O-CD1 3.35Å; M970-I974 VanDerWaalsContact O-CG1 3.28Å; M970-I974 WeakPolarHBondContact O-CG1 3.47Å; M970-I974 PolarHBondContact O-N 2.99Å
971	I	86.7	Confident	85.3	Confident	21 Å²	21	39.5 Å²	39.5	11%	0.108	21%	0.208	C	C	.	.	H	α-helix	trans	-67.4	-40.4	173.7	-63.7	178.1	0	0	0	111.2	I966 S967 N969 N973 I974 I975 Y1178	I966-I971 HydrophobicContact CB-CG1 4.42Å; I966-I971 HydrophobicContact CG2-CD1 4.07Å; I966-I971 HydrophobicContact CG2-CG1 3.48Å; I966-I971 VanDerWaalsContact CG2-CG1 3.48Å; S967-I971 WeakPolarHBondContact O-CG1 3.39Å; S967-I971 PolarHBondContact O-N 2.96Å; N969-I971 VanDerWaalsContact C-N 3.32Å; N969-I971 PolarHBondContact O-N 3.4Å; I971-N973 VanDerWaalsContact C-N 3.29Å; I971-N973 PolarHBondContact O-N 3.09Å; I971-I974 PolarHBondContact O-N 3.39Å; I971-I975 HydrophobicContact CG2-CD1 3.6Å; I971-I975 HydrophobicContact CG2-CG1 4.2Å; I971-I975 WeakPolarHBondContact O-CB 3.25Å; I971-I975 WeakPolarHBondContact O-CG1 3.46Å; I971-I975 PolarHBondContact O-N 3.4Å; I971-Y1178 HydrophobicContact CD1-CE1 4.28Å; I971-Y1178 HydrophobicContact CD1-CE2 4.19Å; I971-Y1178 WeakPolarHBondContact CD1-OH 3.3Å
972	K	89	Confident	86.4	Confident	25 Å²	25	38.1 Å²	38.1	11%	0.109	20%	0.204	C	C	.	.	H	α-helix	trans	-54	-46.7	171	-172.8	-172.5	59.8	157.2	0	111.3	R968 N969 G976 I1102 I1103 I1105 I1110	R968-K972 PolarHBondContact O-N 2.98Å; R968-K972 VanDerWaalsContact O-N 3.1Å; N969-K972 WeakPolarHBondContact O-CB 3.46Å; N969-K972 PolarHBondContact O-N 3.34Å; K972-G976 PolarHBondContact O-N 2.99Å; K972-I1102 HydrophobicContact CD-CG2 4.32Å; K972-I1102 VanDerWaalsContact CE-O 3.29Å; K972-I1102 WeakPolarHBondContact CE-O 3.49Å; K972-I1102 HydrophobicContact CG-CG2 3.98Å; K972-I1102 PolarHBondContact NZ-O 2.99Å; K972-I1103 PolarHBondContact NZ-O 3.49Å; K972-I1105 HydrophobicContact CD-CG2 4.48Å; K972-I1105 VanDerWaalsContact CD-O 3.3Å; K972-I1105 WeakPolarHBondContact CD-O 3.38Å; K972-I1105 PolarHBondContact NZ-O 3.05Å; K972-I1110 HydrophobicContact CB-CD1 3.78Å; K972-I1110 HydrophobicContact CG-CD1 4.31Å
973	N	89.3	Confident	87.5	Confident	17 Å²	17	37.6 Å²	37.6	9%	0.091	21%	0.209	C	C	.	.	H	α-helix	trans	-65.5	-49.6	179.3	-65.4	-13.7	0	0	0	112.3	Q899 N969 M970 I971 I975 G976 Q977	Q899-N973 HydrophobicContact CG-CB 4.3Å; Q899-N973 PolarHBondContact OE1-ND2 3.22Å; N969-N973 VanDerWaalsContact O-CG 3.31Å; N969-N973 PolarHBondContact O-N 3Å; N969-N973 PolarHBondContact O-OD1 3.04Å; M970-N973 PolarHBondContact O-N 3.2Å; I971-N973 VanDerWaalsContact C-N 3.29Å; I971-N973 PolarHBondContact O-N 3.09Å; N973-I975 PolarHBondContact O-N 2.93Å; N973-G976 PolarHBondContact O-N 3.39Å; N973-Q977 WeakPolarHBondContact O-CB 3.49Å; N973-Q977 WeakPolarHBondContact O-CG 3.44Å; N973-Q977 PolarHBondContact O-N 2.97Å
974	I	90.8	Very high	88.5	Confident	13 Å²	13	33.6 Å²	33.6	7%	0.067	19%	0.193	C	C	.	.	H	α-helix	trans	-58.6	-50.5	-180	-69.2	161	0	0	0	110.9	Q899 L902 M906 I966 M970 I971 S978	Q899-I974 HydrophobicContact CG-CD1 4.41Å; Q899-I974 HydrophobicContact CG-CG1 3.86Å; L902-I974 HydrophobicContact CB-CD1 4.03Å; L902-I974 HydrophobicContact CB-CG1 4.49Å; L902-I974 HydrophobicContact CB-CG2 4.47Å; L902-I974 HydrophobicContact CD1-CD1 4.12Å; M906-I974 HydrophobicContact CE-CG2 3.93Å; I966-I974 HydrophobicContact CG2-CD1 4.2Å; M970-I974 HydrophobicContact CE-CD1 4.49Å; M970-I974 HydrophobicContact CG-CD1 4.04Å; M970-I974 WeakPolarHBondContact O-CD1 3.35Å; M970-I974 VanDerWaalsContact O-CG1 3.28Å; M970-I974 WeakPolarHBondContact O-CG1 3.47Å; M970-I974 PolarHBondContact O-N 2.99Å; I971-I974 PolarHBondContact O-N 3.39Å; I974-S978 VanDerWaalsContact O-CB 3.26Å; I974-S978 WeakPolarHBondContact O-CB 3.37Å; I974-S978 PolarHBondContact O-N 3.47Å; I974-S978 PolarHBondContact O-OG 3.24Å
975	I	91.3	Very high	89.3	Confident	84 Å²	84	29.7 Å²	29.7	43%	0.431	17%	0.168	S	C	.	.	H	α-helix	trans	-67.2	-47.2	-179.3	-64.1	175.9	0	0	0	110.3	M906 I971 N973 Q977 S978 V979	M906-I975 HydrophobicContact CE-CG1 4.34Å; I971-I975 HydrophobicContact CG2-CD1 3.6Å; I971-I975 HydrophobicContact CG2-CG1 4.2Å; I971-I975 WeakPolarHBondContact O-CB 3.25Å; I971-I975 WeakPolarHBondContact O-CG1 3.46Å; I971-I975 PolarHBondContact O-N 3.4Å; N973-I975 PolarHBondContact O-N 2.93Å; I975-Q977 PolarHBondContact O-N 3.09Å; I975-S978 PolarHBondContact O-N 3.03Å; I975-V979 HydrophobicContact CG2-CG2 4.29Å; I975-V979 WeakPolarHBondContact O-CG2 3.36Å; I975-V979 PolarHBondContact O-N 3.44Å
976	G	91.4	Very high	89.9	Confident	16 Å²	16	31.8 Å²	31.8	17%	0.165	18%	0.176	C	C	.	.	H	α-helix	trans	-59.2	-43.2	-178.2	0	0	0	0	0	113.3	K972 N973 Y980 W1098	K972-G976 PolarHBondContact O-N 2.99Å; N973-G976 PolarHBondContact O-N 3.39Å; G976-Y980 PolarHBondContact O-N 2.89Å; G976-W1098 PolarHBondContact O-NE1 3.34Å
977	Q	93.3	Very high	90.3	Very high	9 Å²	9	34.8 Å²	34.8	4%	0.042	19%	0.189	C	C	.	.	H	α-helix	trans	-72.9	-38.6	177	-68.4	-66.8	11.4	0	0	112.1	T903 N973 I975 V979 Y980 Q981 N1030 N1033 T1095 G1099 I1102	T903-Q977 HydrophobicContact CG2-CB 3.81Å; N973-Q977 WeakPolarHBondContact O-CB 3.49Å; N973-Q977 WeakPolarHBondContact O-CG 3.44Å; N973-Q977 PolarHBondContact O-N 2.97Å; I975-Q977 PolarHBondContact O-N 3.09Å; Q977-V979 VanDerWaalsContact C-N 3.32Å; Q977-V979 PolarHBondContact O-N 2.93Å; Q977-Y980 PolarHBondContact O-N 3.38Å; Q977-Q981 PolarHBondContact O-N 3.49Å; Q977-N1030 WeakPolarHBondContact CG-OD1 3.5Å; Q977-N1033 PolarHBondContact NE2-ND2 3.49Å; Q977-T1095 PolarHBondContact NE2-O 3.33Å; Q977-G1099 VanDerWaalsContact NE2-CA 3.33Å; Q977-I1102 HydrophobicContact CG-CD1 3.76Å
978	S	93.2	Very high	90.7	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.007	17%	0.173	C	C	.	.	H	α-helix	trans	-63.5	-37.8	176.9	-58	0	0	0	0	112.1	M906 I974 I975 Y980 Q981 L982	M906-S978 VanDerWaalsContact CE-CB 3.46Å; M906-S978 WeakPolarHBondContact CE-OG 3.43Å; I974-S978 VanDerWaalsContact O-CB 3.26Å; I974-S978 WeakPolarHBondContact O-CB 3.37Å; I974-S978 PolarHBondContact O-N 3.47Å; I974-S978 PolarHBondContact O-OG 3.24Å; I975-S978 PolarHBondContact O-N 3.03Å; S978-Y980 VanDerWaalsContact C-N 3.33Å; S978-Y980 PolarHBondContact O-N 3.29Å; S978-Q981 PolarHBondContact O-N 2.87Å; S978-L982 VanDerWaalsContact O-CB 3.25Å; S978-L982 WeakPolarHBondContact O-CB 3.29Å; S978-L982 WeakPolarHBondContact O-CD1 3.34Å; S978-L982 WeakPolarHBondContact O-CG 3.33Å; S978-L982 PolarHBondContact O-N 3.41Å
979	V	94	Very high	90.9	Very high	86 Å²	86	29 Å²	29	52%	0.521	16%	0.16	S	C	.	.	H	α-helix	trans	-62	-39.8	174.7	167.6	0	0	0	0	111.5	I975 Q977 G983	I975-V979 HydrophobicContact CG2-CG2 4.29Å; I975-V979 WeakPolarHBondContact O-CG2 3.36Å; I975-V979 PolarHBondContact O-N 3.44Å; Q977-V979 VanDerWaalsContact C-N 3.32Å; Q977-V979 PolarHBondContact O-N 2.93Å; V979-G983 PolarHBondContact O-N 3.2Å
980	Y	95.2	Very high	90.9	Very high	43 Å²	43	30.9 Å²	30.9	17%	0.169	16%	0.162	C	C	.	.	H	α-helix	trans	-66	-51.4	175	179.6	-94.4	0	0	0	112.1	G976 Q977 S978 L982 G983 V984 M1026 F1091 G1094 T1095 W1098	G976-Y980 PolarHBondContact O-N 2.89Å; Q977-Y980 PolarHBondContact O-N 3.38Å; S978-Y980 VanDerWaalsContact C-N 3.33Å; S978-Y980 PolarHBondContact O-N 3.29Å; Y980-L982 VanDerWaalsContact C-N 3.35Å; Y980-L982 PolarHBondContact O-N 2.79Å; Y980-G983 PolarHBondContact O-N 3.28Å; Y980-G983 VanDerWaalsContact O-N 3.13Å; Y980-V984 HydrophobicContact CD1-CG2 4.3Å; Y980-V984 HydrophobicContact CE1-CG2 3.83Å; Y980-V984 HydrophobicContact CE2-CG2 4.16Å; Y980-V984 WeakPolarHBondContact O-CG2 3.36Å; Y980-V984 PolarHBondContact O-N 3.26Å; Y980-M1026 HydrophobicContact CD1-SD 4.17Å; Y980-M1026 HydrophobicContact CE1-SD 3.8Å; Y980-F1091 PolarHBondContact OH-O 3.37Å; Y980-G1094 WeakPolarHBondContact OH-CA 3.4Å; Y980-T1095 WeakPolarHBondContact CE1-OG1 3.34Å; Y980-W1098 VanDerWaalsContact CB-CD1 3.41Å; Y980-W1098 HydrophobicContact CD2-CB 4.01Å; Y980-W1098 AromaticContact CD2-CD2 3.99Å; Y980-W1098 HydrophobicContact CD2-CD2 3.99Å; Y980-W1098 HydrophobicContact CD2-CE3 4.47Å; Y980-W1098 AromaticContact CD2-CG 3.76Å; Y980-W1098 HydrophobicContact CD2-CG 3.76Å; Y980-W1098 HydrophobicContact CE2-CB 4.38Å; Y980-W1098 HydrophobicContact CG-CB 4.28Å; Y980-W1098 AromaticContact CG-CD1 3.86Å; Y980-W1098 AromaticContact CG-CG 3.98Å; Y980-W1098 HydrophobicContact CG-CG 3.98Å
981	Q	94.7	Very high	90.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-62.7	-40.6	-179	-66.9	-172	-5.7	0	0	111.9	V907 Q977 S978 V984 I985 M1026	V907-Q981 HydrophobicContact CG1-CB 4.01Å; V907-Q981 HydrophobicContact CG2-CB 3.91Å; Q977-Q981 PolarHBondContact O-N 3.49Å; S978-Q981 PolarHBondContact O-N 2.87Å; Q981-V984 PolarHBondContact O-N 3.49Å; Q981-I985 VanDerWaalsContact O-CB 3.32Å; Q981-I985 WeakPolarHBondContact O-CB 3.16Å; Q981-I985 WeakPolarHBondContact O-CD1 3.35Å; Q981-I985 WeakPolarHBondContact O-CG1 3.27Å; Q981-I985 PolarHBondContact O-N 3.4Å; Q981-M1026 HydrophobicContact CB-CE 4.37Å; Q981-M1026 HydrophobicContact CB-SD 4.44Å; Q981-M1026 HydrophobicContact CG-CB 4.1Å; Q981-M1026 HydrophobicContact CG-CE 4.42Å; Q981-M1026 HydrophobicContact CG-SD 4.06Å; Q981-M1026 PolarHBondContact NE2-O 3.06Å; Q981-M1026 VanDerWaalsContact NE2-O 3.16Å
982	L	93.8	Very high	90.5	Very high	24 Å²	24	35.4 Å²	35.4	13%	0.126	18%	0.182	C	C	.	.	H	α-helix	trans	-64.6	-41.7	172.7	-71.1	169.6	0	0	0	112.1	V907 I910 V911 S978 Y980 I985 F986	V907-L982 HydrophobicContact CG1-CD2 4.19Å; V907-L982 HydrophobicContact CG1-CG 4.42Å; V907-L982 HydrophobicContact CG2-CG 4.38Å; I910-L982 HydrophobicContact CB-CD1 4.4Å; I910-L982 HydrophobicContact CB-CD2 3.95Å; I910-L982 HydrophobicContact CD1-CD1 3.99Å; I910-L982 HydrophobicContact CG2-CD1 4.02Å; I910-L982 HydrophobicContact CG2-CD2 3.61Å; I910-L982 HydrophobicContact CG2-CG 4.49Å; V911-L982 HydrophobicContact CG2-CD2 3.71Å; S978-L982 VanDerWaalsContact O-CB 3.25Å; S978-L982 WeakPolarHBondContact O-CB 3.29Å; S978-L982 WeakPolarHBondContact O-CD1 3.34Å; S978-L982 WeakPolarHBondContact O-CG 3.33Å; S978-L982 PolarHBondContact O-N 3.41Å; Y980-L982 VanDerWaalsContact C-N 3.35Å; Y980-L982 PolarHBondContact O-N 2.79Å; L982-I985 PolarHBondContact O-N 3.38Å; L982-F986 HydrophobicContact CB-CD2 4.38Å; L982-F986 HydrophobicContact CB-CE2 4.13Å; L982-F986 HydrophobicContact CD2-CE2 4.09Å; L982-F986 HydrophobicContact CD2-CZ 3.88Å; L982-F986 VanDerWaalsContact O-CB 3.31Å; L982-F986 WeakPolarHBondContact O-CB 3.26Å; L982-F986 VanDerWaalsContact O-CD2 3.26Å; L982-F986 WeakPolarHBondContact O-CD2 3.44Å; L982-F986 WeakPolarHBondContact O-CG 3.27Å; L982-F986 PolarHBondContact O-N 3.14Å
983	G	93.1	Very high	90	Very high	42 Å²	42	37 Å²	37	43%	0.433	19%	0.189	S	C	.	.	H	α-helix	trans	-59	-47.1	175.6	0	0	0	0	0	112.5	V979 Y980 F987	V979-G983 PolarHBondContact O-N 3.2Å; Y980-G983 PolarHBondContact O-N 3.28Å; Y980-G983 VanDerWaalsContact O-N 3.13Å; G983-F987 VanDerWaalsContact O-CB 3.22Å; G983-F987 WeakPolarHBondContact O-CB 3.43Å; G983-F987 PolarHBondContact O-N 2.98Å
984	V	93.4	Very high	89.5	Confident	13 Å²	13	43.1 Å²	43.1	8%	0.079	22%	0.221	C	C	.	.	H	α-helix	trans	-66.7	-46.1	176.5	173.2	0	0	0	0	111.6	Y980 Q981 F986 F987 L988 M1026 F1091	Y980-V984 HydrophobicContact CD1-CG2 4.3Å; Y980-V984 HydrophobicContact CE1-CG2 3.83Å; Y980-V984 HydrophobicContact CE2-CG2 4.16Å; Y980-V984 WeakPolarHBondContact O-CG2 3.36Å; Y980-V984 PolarHBondContact O-N 3.26Å; Q981-V984 PolarHBondContact O-N 3.49Å; V984-F986 PolarHBondContact O-N 3.09Å; V984-F987 PolarHBondContact O-N 3.45Å; V984-L988 HydrophobicContact CG1-CD1 3.99Å; V984-L988 HydrophobicContact CG1-CG 4.43Å; V984-L988 WeakPolarHBondContact O-CG 3.36Å; V984-L988 PolarHBondContact O-N 2.93Å; V984-M1026 HydrophobicContact CB-CE 3.96Å; V984-M1026 HydrophobicContact CB-SD 3.81Å; V984-M1026 HydrophobicContact CG1-CE 3.73Å; V984-M1026 HydrophobicContact CG1-SD 3.8Å; V984-M1026 HydrophobicContact CG2-SD 4.06Å; V984-F1091 HydrophobicContact CG1-CB 3.96Å; V984-F1091 HydrophobicContact CG1-CD1 3.69Å; V984-F1091 HydrophobicContact CG1-CD2 4.16Å; V984-F1091 HydrophobicContact CG1-CE1 4.23Å; V984-F1091 HydrophobicContact CG1-CG 3.66Å; V984-F1091 HydrophobicContact CG2-CD1 4.04Å
985	I	91.7	Very high	88.9	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-65.5	-41.9	-178.6	-69.8	165.3	0	0	0	111	V907 V911 Q981 L982 L988 I989 I1019 F1023 M1026	V907-I985 HydrophobicContact CG1-CD1 3.83Å; V911-I985 HydrophobicContact CG1-CG2 3.97Å; V911-I985 HydrophobicContact CG2-CB 4.34Å; V911-I985 HydrophobicContact CG2-CD1 3.96Å; V911-I985 HydrophobicContact CG2-CG2 3.74Å; Q981-I985 VanDerWaalsContact O-CB 3.32Å; Q981-I985 WeakPolarHBondContact O-CB 3.16Å; Q981-I985 WeakPolarHBondContact O-CD1 3.35Å; Q981-I985 WeakPolarHBondContact O-CG1 3.27Å; Q981-I985 PolarHBondContact O-N 3.4Å; L982-I985 PolarHBondContact O-N 3.38Å; I985-L988 PolarHBondContact O-N 2.68Å; I985-I989 HydrophobicContact CG2-CD1 3.57Å; I985-I989 HydrophobicContact CG2-CG1 4.33Å; I985-I989 WeakPolarHBondContact O-CB 3.41Å; I985-I989 WeakPolarHBondContact O-CG1 3.43Å; I985-I989 PolarHBondContact O-N 2.91Å; I985-I1019 HydrophobicContact CG2-CG2 4.38Å; I985-F1023 HydrophobicContact CD1-CB 4.16Å; I985-F1023 HydrophobicContact CD1-CD2 3.65Å; I985-F1023 HydrophobicContact CD1-CE2 4.28Å; I985-F1023 HydrophobicContact CD1-CG 4.02Å; I985-M1026 HydrophobicContact CD1-CE 4.22Å; I985-M1026 HydrophobicContact CG1-CE 3.9Å
986	F	90.6	Very high	88.3	Confident	58 Å²	58	42.4 Å²	42.4	25%	0.254	22%	0.218	S	C	.	.	H	α-helix	trans	-71.1	-32.9	174.3	-61.3	-28.5	0	0	0	112.3	I910 V914 L982 V984 I989 W990	I910-F986 HydrophobicContact CG2-CZ 4.13Å; V914-F986 HydrophobicContact CB-CE1 4.06Å; V914-F986 HydrophobicContact CB-CZ 4Å; V914-F986 HydrophobicContact CG1-CE1 3.83Å; V914-F986 HydrophobicContact CG1-CZ 3.92Å; V914-F986 HydrophobicContact CG2-CZ 4.03Å; L982-F986 HydrophobicContact CB-CD2 4.38Å; L982-F986 HydrophobicContact CB-CE2 4.13Å; L982-F986 HydrophobicContact CD2-CE2 4.09Å; L982-F986 HydrophobicContact CD2-CZ 3.88Å; L982-F986 VanDerWaalsContact O-CB 3.31Å; L982-F986 WeakPolarHBondContact O-CB 3.26Å; L982-F986 VanDerWaalsContact O-CD2 3.26Å; L982-F986 WeakPolarHBondContact O-CD2 3.44Å; L982-F986 WeakPolarHBondContact O-CG 3.27Å; L982-F986 PolarHBondContact O-N 3.14Å; V984-F986 PolarHBondContact O-N 3.09Å; F986-I989 HydrophobicContact CD1-CD1 4.49Å; F986-W990 HydrophobicContact CB-CE3 4.17Å; F986-W990 HydrophobicContact CB-CZ3 4.2Å; F986-W990 AromaticContact CD1-CZ3 3.83Å; F986-W990 HydrophobicContact CD1-CZ3 3.83Å; F986-W990 HydrophobicContact CG-CZ3 4.26Å; F986-W990 WeakPolarHBondContact O-CB 3.26Å; F986-W990 VanDerWaalsContact O-CE3 3.24Å; F986-W990 PolarHBondContact O-N 3.3Å
987	F	90.8	Very high	87.6	Confident	90 Å²	90	49.1 Å²	49.1	40%	0.395	25%	0.25	S	S	.	.	H	α-helix	trans	-62.1	-47.5	171	178.6	-115.3	0	0	0	111.5	G983 V984 W990 F991 L995	G983-F987 VanDerWaalsContact O-CB 3.22Å; G983-F987 WeakPolarHBondContact O-CB 3.43Å; G983-F987 PolarHBondContact O-N 2.98Å; V984-F987 PolarHBondContact O-N 3.45Å; F987-W990 PolarHBondContact O-N 3.36Å; F987-F991 HydrophobicContact CD2-CB 4.21Å; F987-F991 AromaticContact CD2-CD2 3.87Å; F987-F991 HydrophobicContact CD2-CD2 3.87Å; F987-F991 HydrophobicContact CD2-CG 4.36Å; F987-F991 HydrophobicContact CE2-CB 3.92Å; F987-F991 HydrophobicContact CE2-CD2 4.08Å; F987-F991 HydrophobicContact CE2-CG 4.17Å; F987-F991 HydrophobicContact CZ-CB 4.46Å; F987-F991 WeakPolarHBondContact O-CB 3.19Å; F987-F991 PolarHBondContact O-N 3.41Å; F987-L995 HydrophobicContact CE1-CD2 3.79Å; F987-L995 HydrophobicContact CZ-CD2 4.39Å
988	L	89.7	Confident	86.8	Confident	2 Å²	2	49.4 Å²	49.4	1%	0.01	25%	0.252	C	S	.	.	H	α-helix	trans	-62.8	-46.9	176.5	-71.1	172.8	0	0	0	112.1	V984 I985 W990 G992 L995 L996 H1015 I1019 F1091	V984-L988 HydrophobicContact CG1-CD1 3.99Å; V984-L988 HydrophobicContact CG1-CG 4.43Å; V984-L988 WeakPolarHBondContact O-CG 3.36Å; V984-L988 PolarHBondContact O-N 2.93Å; I985-L988 PolarHBondContact O-N 2.68Å; L988-W990 VanDerWaalsContact C-N 3.29Å; L988-W990 PolarHBondContact O-N 2.87Å; L988-G992 WeakPolarHBondContact O-CA 3.01Å; L988-G992 PolarHBondContact O-N 3.49Å; L988-L995 HydrophobicContact CD2-CD2 4.46Å; L988-L996 HydrophobicContact CD2-CD1 4.42Å; L988-H1015 PolarHBondContact O-NE2 3.36Å; L988-H1015 VanDerWaalsContact O-NE2 3.08Å; L988-I1019 HydrophobicContact CB-CG1 3.97Å; L988-F1091 HydrophobicContact CD1-CD2 4.36Å; L988-F1091 HydrophobicContact CD1-CE2 4.31Å; L988-F1091 HydrophobicContact CD2-CE2 3.94Å; L988-F1091 HydrophobicContact CD2-CZ 4.34Å; L988-F1091 HydrophobicContact CG-CE2 4.44Å
989	I	85.5	Confident	85.9	Confident	3 Å²	3	53.4 Å²	53.4	2%	0.015	27%	0.271	C	S	.	.	H	α-helix	trans	-61.8	-34.9	178.8	-71.6	167.6	0	0	0	112.2	I919 P923 I985 F986 R1002 I1019	I919-I989 HydrophobicContact CD1-CG2 3.49Å; I919-I989 VanDerWaalsContact CD1-CG2 3.49Å; P923-I989 HydrophobicContact CB-CD1 3.88Å; P923-I989 HydrophobicContact CB-CG1 4.3Å; P923-I989 HydrophobicContact CG-CD1 3.81Å; I985-I989 HydrophobicContact CG2-CD1 3.57Å; I985-I989 HydrophobicContact CG2-CG1 4.33Å; I985-I989 WeakPolarHBondContact O-CB 3.41Å; I985-I989 WeakPolarHBondContact O-CG1 3.43Å; I985-I989 PolarHBondContact O-N 2.91Å; F986-I989 HydrophobicContact CD1-CD1 4.49Å; I989-R1002 VanDerWaalsContact O-CD 3.3Å; I989-R1002 WeakPolarHBondContact O-CD 3.4Å; I989-R1002 PolarHBondContact O-NH1 3.01Å; I989-I1019 HydrophobicContact CG1-CD1 3.65Å; I989-I1019 HydrophobicContact CG1-CG1 4.22Å; I989-I1019 HydrophobicContact CG1-CG2 4.33Å
990	W	83.7	Confident	85.1	Confident	99 Å²	99	52 Å²	52	38%	0.375	26%	0.261	S	S	.	.	H	α-helix	trans	-89.1	-36	-178.2	-88	-99.4	0	0	0	114.6	V914 L918 F986 F987 L988 R1002	V914-W990 HydrophobicContact CG1-CH2 4.27Å; L918-W990 HydrophobicContact CB-CZ2 4.49Å; L918-W990 HydrophobicContact CD1-CH2 3.77Å; L918-W990 HydrophobicContact CD1-CZ2 3.65Å; F986-W990 HydrophobicContact CB-CE3 4.17Å; F986-W990 HydrophobicContact CB-CZ3 4.2Å; F986-W990 AromaticContact CD1-CZ3 3.83Å; F986-W990 HydrophobicContact CD1-CZ3 3.83Å; F986-W990 HydrophobicContact CG-CZ3 4.26Å; F986-W990 WeakPolarHBondContact O-CB 3.26Å; F986-W990 VanDerWaalsContact O-CE3 3.24Å; F986-W990 PolarHBondContact O-N 3.3Å; F987-W990 PolarHBondContact O-N 3.36Å; L988-W990 VanDerWaalsContact C-N 3.29Å; L988-W990 PolarHBondContact O-N 2.87Å; W990-R1002 PolarHBondContact O-NH1 3.41Å
991	F	85.7	Confident	84	Confident	117 Å²	117	50 Å²	50	51%	0.513	25%	0.253	S	S	.	.	H	α-helix	trans	-125.4	-3.4	-171.4	-63.3	-84	0	0	0	114.7	F987 E993 L994 L995	F987-F991 HydrophobicContact CD2-CB 4.21Å; F987-F991 AromaticContact CD2-CD2 3.87Å; F987-F991 HydrophobicContact CD2-CD2 3.87Å; F987-F991 HydrophobicContact CD2-CG 4.36Å; F987-F991 HydrophobicContact CE2-CB 3.92Å; F987-F991 HydrophobicContact CE2-CD2 4.08Å; F987-F991 HydrophobicContact CE2-CG 4.17Å; F987-F991 HydrophobicContact CZ-CB 4.46Å; F987-F991 WeakPolarHBondContact O-CB 3.19Å; F987-F991 PolarHBondContact O-N 3.41Å; F991-E993 VanDerWaalsContact C-N 3.29Å; F991-E993 PolarHBondContact O-N 3Å; F991-L994 WeakPolarHBondContact O-CB 3.29Å; F991-L994 PolarHBondContact O-N 3.23Å; F991-L995 PolarHBondContact O-N 3.42Å
992	G	80.3	Confident	83.1	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.01	27%	0.265	C	S	.	.	H	α-helix	trans	-60.5	-34.2	-175.5	0	0	0	0	0	114.1	L988 L994 L995 L996	L988-G992 WeakPolarHBondContact O-CA 3.01Å; L988-G992 PolarHBondContact O-N 3.49Å; G992-L994 VanDerWaalsContact C-N 3.25Å; G992-L994 PolarHBondContact O-N 2.98Å; G992-L995 PolarHBondContact O-N 3.42Å; G992-L996 WeakPolarHBondContact O-CB 3.25Å; G992-L996 WeakPolarHBondContact O-CG 3.38Å; G992-L996 PolarHBondContact O-N 2.88Å; G992-L996 VanDerWaalsContact O-N 3.12Å
993	E	79.3	Confident	81.8	Confident	58 Å²	58	53.1 Å²	53.1	27%	0.271	27%	0.271	S	S	.	.	H	α-helix	trans	-54.6	-40.2	171.9	71.4	-167.3	177.1	0	0	112.7	F991 D997 V998 N1000 R1002	F991-E993 VanDerWaalsContact C-N 3.29Å; F991-E993 PolarHBondContact O-N 3Å; E993-D997 PolarHBondContact O-N 3Å; E993-V998 PolarHBondContact O-N 2.85Å; E993-N1000 HydrophobicContact CB-CB 4.44Å; E993-N1000 WeakPolarHBondContact OE2-CB 3.49Å; E993-N1000 PolarHBondContact OE2-ND2 2.87Å; E993-N1000 PolarHBondContact OE2-OD1 3.38Å; E993-R1002 IonicContact OE1-CZ 3.75Å; E993-R1002 IonicContact OE1-NH2 3.44Å; E993-R1002 PolarHBondContact OE1-NH2 2.89Å; E993-R1002 IonicContact OE2-CZ 3.47Å; E993-R1002 IonicContact OE2-NE 3.81Å; E993-R1002 IonicContact OE2-NH2 2.67Å; E993-R1002 PolarHBondContact OE2-NH2 3.22Å
994	L	78.7	Confident	80.5	Confident	145 Å²	145	51.9 Å²	51.9	76%	0.759	25%	0.254	S	S	*	.	H	α-helix	trans	-86.3	-30.9	-175.4	-171.7	74.1	0	0	0	111.7	F991 G992	F991-L994 WeakPolarHBondContact O-CB 3.29Å; F991-L994 PolarHBondContact O-N 3.23Å; G992-L994 VanDerWaalsContact C-N 3.25Å; G992-L994 PolarHBondContact O-N 2.98Å
995	L	78.5	Confident	78.9	Confident	65 Å²	65	52 Å²	52	34%	0.34	26%	0.256	S	S	.	.	H	α-helix	trans	-73.6	-32	179.4	-177.5	70.3	0	0	0	112.7	F987 L988 F991 G992 F1091	F987-L995 HydrophobicContact CE1-CD2 3.79Å; F987-L995 HydrophobicContact CZ-CD2 4.39Å; L988-L995 HydrophobicContact CD2-CD2 4.46Å; F991-L995 PolarHBondContact O-N 3.42Å; G992-L995 PolarHBondContact O-N 3.42Å; L995-F1091 HydrophobicContact CD2-CZ 4.45Å
996	L	76.8	Confident	77.3	Confident	17 Å²	17	55.3 Å²	55.3	9%	0.089	28%	0.283	C	S	.	.	H	α-helix	trans	-116.9	-3.8	-166.4	-58.9	165.6	0	0	0	113.7	L988 G992 V998 V1018 H1084 W1087	L988-L996 HydrophobicContact CD2-CD1 4.42Å; G992-L996 WeakPolarHBondContact O-CB 3.25Å; G992-L996 WeakPolarHBondContact O-CG 3.38Å; G992-L996 PolarHBondContact O-N 2.88Å; G992-L996 VanDerWaalsContact O-N 3.12Å; L996-V998 HydrophobicContact CB-CB 4.5Å; L996-V998 HydrophobicContact CB-CG2 3.78Å; L996-V998 WeakPolarHBondContact O-CG2 3.33Å; L996-V1018 HydrophobicContact CD1-CB 4.28Å; L996-V1018 HydrophobicContact CD1-CG1 3.7Å; L996-V1018 HydrophobicContact CD1-CG2 4.29Å; L996-H1084 PolarHBondContact O-NE2 2.91Å; L996-H1084 VanDerWaalsContact O-NE2 3.15Å; L996-W1087 HydrophobicContact CD2-CB 4.13Å; L996-W1087 HydrophobicContact CD2-CG 3.81Å
997	D	77.2	Confident	75.7	Confident	158 Å²	158	60.1 Å²	60.1	85%	0.845	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	58.9	-171.5	-158.9	23.8	0	0	0	113	E993	E993-D997 PolarHBondContact O-N 3Å
998	V	76.8	Confident	74.2	Confident	14 Å²	14	57.5 Å²	57.5	9%	0.085	30%	0.302	C	S	.	.			trans	-127.4	143.3	-170.6	175.7	0	0	0	0	112.1	E993 L996 N1000 E1014 H1015	E993-V998 PolarHBondContact O-N 2.85Å; L996-V998 HydrophobicContact CB-CB 4.5Å; L996-V998 HydrophobicContact CB-CG2 3.78Å; L996-V998 WeakPolarHBondContact O-CG2 3.33Å; V998-N1000 PolarHBondContact O-N 3.41Å; V998-E1014 HydrophobicContact CG1-CB 3.43Å; V998-E1014 VanDerWaalsContact CG1-CB 3.43Å; V998-E1014 HydrophobicContact CG2-CB 4.39Å; V998-H1015 HydrophobicContact CG1-CB 3.92Å
999	E	75	Confident	72.9	Confident	85 Å²	85	59.8 Å²	59.8	40%	0.397	31%	0.314	S	S	.	.			trans	-53.7	124.8	175.5	-168.7	-168.5	151.4	0	0	112.5	G1001 R1011 H1015	E999-G1001 PolarHBondContact O-N 2.99Å; E999-R1011 IonicContact OE1-CZ 2.78Å; E999-R1011 IonicContact OE1-NE 2.69Å; E999-R1011 IonicContact OE1-NH2 3.98Å; E999-R1011 PolarHBondContact OE1-NH2 3.33Å; E999-R1011 IonicContact OE2-CZ 3.26Å; E999-R1011 IonicContact OE2-NE 3.72Å; E999-R1011 IonicContact OE2-NH2 3.01Å; E999-R1011 PolarHBondContact OE2-NH2 2.91Å; E999-H1015 WeakPolarHBondContact O-CB 3.46Å
1000	N	76.4	Confident	71.9	Confident	58 Å²	58	63.5 Å²	63.5	31%	0.31	33%	0.334	S	S	.	.			trans	-65	101.4	-179.9	-178.8	10.6	0	0	0	112.9	E993 V998 R1002	E993-N1000 HydrophobicContact CB-CB 4.44Å; E993-N1000 WeakPolarHBondContact OE2-CB 3.49Å; E993-N1000 PolarHBondContact OE2-ND2 2.87Å; E993-N1000 PolarHBondContact OE2-OD1 3.38Å; V998-N1000 PolarHBondContact O-N 3.41Å; N1000-R1002 PolarHBondContact ND2-NH2 3.2Å; N1000-R1002 PolarHBondContact O-N 3.09Å; N1000-R1002 WeakPolarHBondContact OD1-CB 3.25Å; N1000-R1002 VanDerWaalsContact OD1-CG 3.28Å; N1000-R1002 WeakPolarHBondContact OD1-CG 3.19Å; N1000-R1002 PolarHBondContact OD1-N 3.11Å; N1000-R1002 PolarHBondContact OD1-NE 3.2Å
1001	G	73.4	Confident	71.4	Confident	1 Å²	1	64.4 Å²	64.4	1%	0.01	34%	0.337	C	S	.	.			trans	-62.5	-15.5	173.7	0	0	0	0	0	116.5	E999 G1003 L1004 H1015 F1016	E999-G1001 PolarHBondContact O-N 2.99Å; G1001-G1003 PolarHBondContact O-N 3.34Å; G1001-L1004 PolarHBondContact O-N 2.88Å; G1001-H1015 PolarHBondContact N-ND1 3.11Å; G1001-F1016 WeakPolarHBondContact O-CE2 3.31Å; G1001-F1016 WeakPolarHBondContact O-CZ 3.39Å
1002	R	74.3	Confident	71	Confident	64 Å²	64	60 Å²	60	24%	0.242	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	126	-172.2	-61.3	172.7	-67.6	-174.8	16.8	111.5	I919 I989 W990 E993 N1000 L1004	I919-R1002 HydrophobicContact CG2-CB 4.22Å; I919-R1002 HydrophobicContact CG2-CG 4.33Å; I989-R1002 VanDerWaalsContact O-CD 3.3Å; I989-R1002 WeakPolarHBondContact O-CD 3.4Å; I989-R1002 PolarHBondContact O-NH1 3.01Å; W990-R1002 PolarHBondContact O-NH1 3.41Å; E993-R1002 IonicContact OE1-CZ 3.75Å; E993-R1002 IonicContact OE1-NH2 3.44Å; E993-R1002 PolarHBondContact OE1-NH2 2.89Å; E993-R1002 IonicContact OE2-CZ 3.47Å; E993-R1002 IonicContact OE2-NE 3.81Å; E993-R1002 IonicContact OE2-NH2 2.67Å; E993-R1002 PolarHBondContact OE2-NH2 3.22Å; N1000-R1002 PolarHBondContact ND2-NH2 3.2Å; N1000-R1002 PolarHBondContact O-N 3.09Å; N1000-R1002 WeakPolarHBondContact OD1-CB 3.25Å; N1000-R1002 VanDerWaalsContact OD1-CG 3.28Å; N1000-R1002 WeakPolarHBondContact OD1-CG 3.19Å; N1000-R1002 PolarHBondContact OD1-N 3.11Å; N1000-R1002 PolarHBondContact OD1-NE 3.2Å; R1002-L1004 VanDerWaalsContact C-N 3.29Å; R1002-L1004 PolarHBondContact O-N 3.45Å
1003	G	66.4	Low	71.2	Confident	24 Å²	24	60.2 Å²	60.2	25%	0.247	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.9	6.4	177	0	0	0	0	0	115.2	G1001 A1006 K1007	G1001-G1003 PolarHBondContact O-N 3.34Å; G1003-A1006 PolarHBondContact O-N 3.25Å; G1003-K1007 PolarHBondContact O-N 3.19Å
1004	L	65.8	Low	71.5	Confident	17 Å²	17	59.4 Å²	59.4	9%	0.089	32%	0.318	C	S	.	.	S	Bend	trans	-60.5	-46.2	171.8	-73.1	178.6	0	0	0	111.6	G1001 R1002 A1006 K1007 G1008 I1009 T1013	G1001-L1004 PolarHBondContact O-N 2.88Å; R1002-L1004 VanDerWaalsContact C-N 3.29Å; R1002-L1004 PolarHBondContact O-N 3.45Å; L1004-A1006 VanDerWaalsContact C-N 3.26Å; L1004-A1006 PolarHBondContact O-N 2.98Å; L1004-K1007 WeakPolarHBondContact O-CA 3.33Å; L1004-K1007 WeakPolarHBondContact O-CB 3.35Å; L1004-K1007 PolarHBondContact O-N 3.42Å; L1004-G1008 PolarHBondContact O-N 3.39Å; L1004-I1009 CarbonylContact C-O 3.29Å; L1004-I1009 HydrophobicContact CB-CB 4.38Å; L1004-I1009 WeakPolarHBondContact CB-O 3.43Å; L1004-I1009 PolarHBondContact O-N 3Å; L1004-T1013 HydrophobicContact CD1-CG2 3.54Å
1005	S	60.8	Low	71.9	Confident	15 Å²	15	52.7 Å²	52.7	11%	0.105	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-61.5	-32.5	176.8	-165.5	0	0	0	0	112.6	D921 K1007 G1008 N1010	D921-S1005 WeakPolarHBondContact OD2-CB 3.43Å; S1005-K1007 PolarHBondContact O-N 3.47Å; S1005-G1008 WeakPolarHBondContact O-CA 3.31Å; S1005-G1008 PolarHBondContact O-N 2.97Å; S1005-N1010 WeakPolarHBondContact CB-OD1 3.43Å; S1005-N1010 PolarHBondContact OG-OD1 3.5Å
1006	A	57.7	Low	72.3	Confident	71 Å²	71	50.6 Å²	50.6	59%	0.587	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-69.2	-13.2	173.1	0	0	0	0	0	113.9	G1003 L1004	G1003-A1006 PolarHBondContact O-N 3.25Å; L1004-A1006 VanDerWaalsContact C-N 3.26Å; L1004-A1006 PolarHBondContact O-N 2.98Å
1007	K	56.7	Low	72.9	Confident	159 Å²	159	49.8 Å²	49.8	69%	0.691	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-95.8	1.2	168.1	-61.4	177.5	179.8	177	0	112.9	G1003 L1004 S1005 I1009	G1003-K1007 PolarHBondContact O-N 3.19Å; L1004-K1007 WeakPolarHBondContact O-CA 3.33Å; L1004-K1007 WeakPolarHBondContact O-CB 3.35Å; L1004-K1007 PolarHBondContact O-N 3.42Å; S1005-K1007 PolarHBondContact O-N 3.47Å; K1007-I1009 VanDerWaalsContact C-N 3.33Å; K1007-I1009 HydrophobicContact CB-CD1 4.34Å; K1007-I1009 HydrophobicContact CB-CG1 4.26Å
1008	G	59	Low	73.6	Confident	34 Å²	34	42.3 Å²	42.3	35%	0.351	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.8	-19	-170.9	0	0	0	0	0	114.5	L1004 S1005 N1010	L1004-G1008 PolarHBondContact O-N 3.39Å; S1005-G1008 WeakPolarHBondContact O-CA 3.31Å; S1005-G1008 PolarHBondContact O-N 2.97Å; G1008-N1010 PolarHBondContact O-N 3.3Å; G1008-N1010 PolarHBondContact O-ND2 3.43Å
1009	I	62.4	Low	74.3	Confident	51 Å²	51	41.7 Å²	41.7	26%	0.262	22%	0.223	S	C	.	.			trans	-78.1	97	-167.3	-51.2	175.2	0	0	0	110.9	E110 L1004 K1007 R1011	E110-I1009 WeakPolarHBondContact OE1-CA 3.39Å; L1004-I1009 CarbonylContact C-O 3.29Å; L1004-I1009 HydrophobicContact CB-CB 4.38Å; L1004-I1009 WeakPolarHBondContact CB-O 3.43Å; L1004-I1009 PolarHBondContact O-N 3Å; K1007-I1009 VanDerWaalsContact C-N 3.33Å; K1007-I1009 HydrophobicContact CB-CD1 4.34Å; K1007-I1009 HydrophobicContact CB-CG1 4.26Å; I1009-R1011 HydrophobicContact CG2-CB 4.32Å; I1009-R1011 HydrophobicContact CG2-CG 3.89Å; I1009-R1011 PolarHBondContact O-N 2.81Å
1010	N	64.7	Low	75	Confident	81 Å²	81	37.7 Å²	37.7	43%	0.433	20%	0.204	S	C	.	.			trans	-97	44.8	-177.3	-67.3	-55.8	0	0	0	112.8	S1005 G1008	S1005-N1010 WeakPolarHBondContact CB-OD1 3.43Å; S1005-N1010 PolarHBondContact OG-OD1 3.5Å; G1008-N1010 PolarHBondContact O-N 3.3Å; G1008-N1010 PolarHBondContact O-ND2 3.43Å
1011	R	73.2	Confident	75.9	Confident	118 Å²	118	34.9 Å²	34.9	45%	0.445	19%	0.189	S	C	.	.			trans	-88.4	144.1	179	76.2	-171.5	-175.6	-177.4	4.2	113	E999 I1009 T1013	E999-R1011 IonicContact OE1-CZ 2.78Å; E999-R1011 IonicContact OE1-NE 2.69Å; E999-R1011 IonicContact OE1-NH2 3.98Å; E999-R1011 PolarHBondContact OE1-NH2 3.33Å; E999-R1011 IonicContact OE2-CZ 3.26Å; E999-R1011 IonicContact OE2-NE 3.72Å; E999-R1011 IonicContact OE2-NH2 3.01Å; E999-R1011 PolarHBondContact OE2-NH2 2.91Å; I1009-R1011 HydrophobicContact CG2-CB 4.32Å; I1009-R1011 HydrophobicContact CG2-CG 3.89Å; I1009-R1011 PolarHBondContact O-N 2.81Å; R1011-T1013 PolarHBondContact O-N 3.16Å
1012	P	77.7	Confident	76.8	Confident	24 Å²	24	34.9 Å²	34.9	16%	0.156	19%	0.188	C	C	.	.			trans	-67.3	131.2	175.1	28.2	-34	0	0	0	110.6	Y1073	P1012-Y1073 HydrophobicContact CG-CD1 3.98Å; P1012-Y1073 HydrophobicContact CG-CE1 3.88Å; P1012-Y1073 HydrophobicContact CG-CG 4.5Å
1013	T	83.6	Confident	77.8	Confident	5 Å²	5	31.8 Å²	31.8	3%	0.031	18%	0.177	C	C	.	.			trans	-113.7	149.1	179	61.2	0	0	0	0	111.5	L1004 R1011 H1015 F1016 T1017	L1004-T1013 HydrophobicContact CD1-CG2 3.54Å; R1011-T1013 PolarHBondContact O-N 3.16Å; T1013-H1015 PolarHBondContact O-N 3.4Å; T1013-F1016 WeakPolarHBondContact OG1-CD2 3.46Å; T1013-F1016 PolarHBondContact OG1-N 2.94Å; T1013-T1017 WeakPolarHBondContact O-CB 3.34Å; T1013-T1017 PolarHBondContact O-N 2.91Å; T1013-T1017 PolarHBondContact O-OG1 2.9Å
1014	E	86.1	Confident	79	Confident	42 Å²	42	30.7 Å²	30.7	20%	0.196	17%	0.165	C	C	.	.	H	α-helix	trans	-57.2	-38.9	167.6	-88.3	139.6	-135.1	0	0	111.1	V998 F1016 T1017 V1018 R1078 L1080	V998-E1014 HydrophobicContact CG1-CB 3.43Å; V998-E1014 VanDerWaalsContact CG1-CB 3.43Å; V998-E1014 HydrophobicContact CG2-CB 4.39Å; E1014-F1016 PolarHBondContact O-N 3.23Å; E1014-T1017 CarbonylContact O-C 3.53Å; E1014-T1017 WeakPolarHBondContact O-CA 3.48Å; E1014-T1017 PolarHBondContact O-N 2.76Å; E1014-V1018 WeakPolarHBondContact O-CG2 3.49Å; E1014-V1018 PolarHBondContact O-N 3.49Å; E1014-R1078 HydrophobicContact CG-CB 4.31Å; E1014-R1078 HydrophobicContact CG-CG 4.24Å; E1014-R1078 WeakPolarHBondContact OE1-CD 3.49Å; E1014-R1078 IonicContact OE1-CZ 3.84Å; E1014-R1078 IonicContact OE1-NE 3.82Å; E1014-R1078 PolarHBondContact OE1-NE 3.12Å; E1014-R1078 IonicContact OE1-NH1 2.88Å; E1014-R1078 PolarHBondContact OE1-NH1 2.83Å; E1014-R1078 IonicContact OE2-NH1 3.99Å; E1014-L1080 HydrophobicContact CB-CD2 4.32Å; E1014-L1080 HydrophobicContact CG-CD2 4.04Å
1015	H	87.6	Confident	80.4	Confident	3 Å²	3	29.9 Å²	29.9	1%	0.014	16%	0.161	C	C	.	.	H	α-helix	trans	-58.2	-52.1	-177.9	-175.9	-159.4	0	0	0	112.2	L988 V998 E999 G1001 T1013 T1017 V1018 I1019	L988-H1015 PolarHBondContact O-NE2 3.36Å; L988-H1015 VanDerWaalsContact O-NE2 3.08Å; V998-H1015 HydrophobicContact CG1-CB 3.92Å; E999-H1015 WeakPolarHBondContact O-CB 3.46Å; G1001-H1015 PolarHBondContact N-ND1 3.11Å; T1013-H1015 PolarHBondContact O-N 3.4Å; H1015-T1017 VanDerWaalsContact C-N 3.32Å; H1015-T1017 PolarHBondContact O-N 3.34Å; H1015-V1018 PolarHBondContact O-N 2.98Å; H1015-I1019 WeakPolarHBondContact O-CD1 3.27Å; H1015-I1019 WeakPolarHBondContact O-CG1 3.5Å; H1015-I1019 PolarHBondContact O-N 2.75Å; H1015-I1019 VanDerWaalsContact O-N 3.15Å
1016	F	86.5	Confident	82	Confident	22 Å²	22	29.1 Å²	29.1	10%	0.096	16%	0.156	C	C	.	.	H	α-helix	trans	-68.8	-31	174.7	-68.1	-48	0	0	0	112.4	P923 G1001 T1013 E1014 I1019 F1020	P923-F1016 HydrophobicContact CB-CD1 4.17Å; P923-F1016 HydrophobicContact CB-CE1 4.08Å; G1001-F1016 WeakPolarHBondContact O-CE2 3.31Å; G1001-F1016 WeakPolarHBondContact O-CZ 3.39Å; T1013-F1016 WeakPolarHBondContact OG1-CD2 3.46Å; T1013-F1016 PolarHBondContact OG1-N 2.94Å; E1014-F1016 PolarHBondContact O-N 3.23Å; F1016-I1019 HydrophobicContact CD1-CD1 3.95Å; F1016-I1019 PolarHBondContact O-N 3.38Å; F1016-F1020 WeakPolarHBondContact O-CB 3.43Å; F1016-F1020 PolarHBondContact O-N 3.48Å
1017	T	90.4	Very high	83.8	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-65.6	-37.9	175.7	-52.2	0	0	0	0	112.1	T1013 E1014 H1015 N1021 I1068 T1077 R1078 L1080	T1013-T1017 WeakPolarHBondContact O-CB 3.34Å; T1013-T1017 PolarHBondContact O-N 2.91Å; T1013-T1017 PolarHBondContact O-OG1 2.9Å; E1014-T1017 CarbonylContact O-C 3.53Å; E1014-T1017 WeakPolarHBondContact O-CA 3.48Å; E1014-T1017 PolarHBondContact O-N 2.76Å; H1015-T1017 VanDerWaalsContact C-N 3.32Å; H1015-T1017 PolarHBondContact O-N 3.34Å; T1017-N1021 VanDerWaalsContact O-CB 3.25Å; T1017-N1021 WeakPolarHBondContact O-CB 3.47Å; T1017-N1021 PolarHBondContact O-N 2.85Å; T1017-I1068 HydrophobicContact CG2-CD1 3.59Å; T1017-I1068 HydrophobicContact CG2-CG2 4.3Å; T1017-T1077 HydrophobicContact CG2-CG2 4.05Å; T1017-T1077 WeakPolarHBondContact OG1-CA 3.22Å; T1017-R1078 WeakPolarHBondContact CG2-O 3.31Å; T1017-R1078 PolarHBondContact OG1-N 3.38Å; T1017-L1080 HydrophobicContact CG2-CD1 4.12Å; T1017-L1080 HydrophobicContact CG2-CD2 3.96Å; T1017-L1080 HydrophobicContact CG2-CG 3.88Å
1018	V	91.3	Very high	85.5	Confident	1 Å²	1	18.4 Å²	18.4	1%	0.006	10%	0.096	C	C	.	.	H	α-helix	trans	-68.4	-40.3	173.7	175.1	0	0	0	0	111.5	L996 E1014 H1015 N1021 S1022 L1080 H1084	L996-V1018 HydrophobicContact CD1-CB 4.28Å; L996-V1018 HydrophobicContact CD1-CG1 3.7Å; L996-V1018 HydrophobicContact CD1-CG2 4.29Å; E1014-V1018 WeakPolarHBondContact O-CG2 3.49Å; E1014-V1018 PolarHBondContact O-N 3.49Å; H1015-V1018 PolarHBondContact O-N 2.98Å; V1018-N1021 PolarHBondContact O-N 3.47Å; V1018-S1022 WeakPolarHBondContact O-CB 3.42Å; V1018-S1022 PolarHBondContact O-N 2.93Å; V1018-S1022 PolarHBondContact O-OG 3.02Å; V1018-L1080 HydrophobicContact CG2-CD1 3.98Å; V1018-L1080 HydrophobicContact CG2-CD2 3.56Å; V1018-L1080 HydrophobicContact CG2-CG 4.43Å; V1018-H1084 HydrophobicContact CG2-CB 4.02Å
1019	I	90.9	Very high	87.2	Confident	1 Å²	1	17.9 Å²	17.9	1%	0.005	8%	0.084	C	C	.	.	H	α-helix	trans	-60.9	-49.3	175.4	-68.4	157.6	0	0	0	110.4	P923 I985 L988 I989 H1015 F1016 F1023	P923-I1019 HydrophobicContact CB-CG2 4.46Å; I985-I1019 HydrophobicContact CG2-CG2 4.38Å; L988-I1019 HydrophobicContact CB-CG1 3.97Å; I989-I1019 HydrophobicContact CG1-CD1 3.65Å; I989-I1019 HydrophobicContact CG1-CG1 4.22Å; I989-I1019 HydrophobicContact CG1-CG2 4.33Å; H1015-I1019 WeakPolarHBondContact O-CD1 3.27Å; H1015-I1019 WeakPolarHBondContact O-CG1 3.5Å; H1015-I1019 PolarHBondContact O-N 2.75Å; H1015-I1019 VanDerWaalsContact O-N 3.15Å; F1016-I1019 HydrophobicContact CD1-CD1 3.95Å; F1016-I1019 PolarHBondContact O-N 3.38Å; I1019-F1023 WeakPolarHBondContact O-CB 3.38Å; I1019-F1023 PolarHBondContact O-N 3.4Å
1020	F	91.4	Very high	88.6	Confident	0 Å²	0	15.5 Å²	15.5	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-59.6	-49.2	175.9	165.7	-117.6	0	0	0	112.2	L924 Q928 W931 V932 F1016 F1023 V1024 I1067 I1068 T1077	L924-F1020 HydrophobicContact CD2-CB 3.87Å; L924-F1020 HydrophobicContact CD2-CD2 4.21Å; Q928-F1020 HydrophobicContact CB-CD2 3.82Å; Q928-F1020 HydrophobicContact CB-CE2 3.72Å; Q928-F1020 HydrophobicContact CB-CZ 4.33Å; Q928-F1020 HydrophobicContact CG-CD1 4.49Å; Q928-F1020 HydrophobicContact CG-CD2 4.09Å; Q928-F1020 HydrophobicContact CG-CE1 4.46Å; Q928-F1020 HydrophobicContact CG-CE2 4.05Å; Q928-F1020 HydrophobicContact CG-CG 4.31Å; Q928-F1020 HydrophobicContact CG-CZ 4.24Å; W931-F1020 AromaticContact CD1-CE2 3.97Å; W931-F1020 AromaticContact CD1-CZ 3.64Å; V932-F1020 HydrophobicContact CG2-CE2 4.43Å; F1016-F1020 WeakPolarHBondContact O-CB 3.43Å; F1016-F1020 PolarHBondContact O-N 3.48Å; F1020-F1023 PolarHBondContact O-N 3.08Å; F1020-V1024 HydrophobicContact CD2-CG2 4.13Å; F1020-V1024 HydrophobicContact CE2-CG2 3.76Å; F1020-V1024 HydrophobicContact CZ-CG2 4.26Å; F1020-V1024 WeakPolarHBondContact O-CG2 3.49Å; F1020-V1024 PolarHBondContact O-N 2.81Å; F1020-I1067 HydrophobicContact CE1-CG2 4.21Å; F1020-I1067 HydrophobicContact CZ-CG2 4.42Å; F1020-I1068 HydrophobicContact CD1-CD1 3.72Å; F1020-I1068 HydrophobicContact CE1-CD1 3.76Å; F1020-T1077 HydrophobicContact CD1-CG2 4.02Å; F1020-T1077 HydrophobicContact CE1-CG2 3.94Å
1021	N	93.9	Very high	89.9	Confident	0 Å²	0	11.8 Å²	11.8	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-67.3	-40.2	-178.8	-162.8	41	0	0	0	112.4	T1017 V1018 F1023 V1024 M1025 Q1064 I1068 L1080 W1085 C1088	T1017-N1021 VanDerWaalsContact O-CB 3.25Å; T1017-N1021 WeakPolarHBondContact O-CB 3.47Å; T1017-N1021 PolarHBondContact O-N 2.85Å; V1018-N1021 PolarHBondContact O-N 3.47Å; N1021-F1023 VanDerWaalsContact C-N 3.31Å; N1021-F1023 PolarHBondContact O-N 3.43Å; N1021-V1024 PolarHBondContact O-N 3.41Å; N1021-M1025 WeakPolarHBondContact O-CB 3.2Å; N1021-M1025 VanDerWaalsContact O-CG 3.28Å; N1021-M1025 WeakPolarHBondContact O-CG 3.04Å; N1021-M1025 PolarHBondContact O-N 2.93Å; N1021-Q1064 PolarHBondContact OD1-NE2 3.27Å; N1021-I1068 HydrophobicContact CB-CD1 3.76Å; N1021-I1068 HydrophobicContact CB-CG1 4.3Å; N1021-L1080 HydrophobicContact CB-CD1 4.09Å; N1021-W1085 VanDerWaalsContact ND2-CE3 3.27Å; N1021-W1085 WeakPolarHBondContact ND2-CH2 3.41Å; N1021-W1085 WeakPolarHBondContact ND2-CZ3 3.25Å; N1021-C1088 PolarHBondContact ND2-SG 3Å; N1021-C1088 VanDerWaalsContact ND2-SG 3.44Å
1022	S	93.3	Very high	90.8	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-61.9	-40	174.6	-60.7	0	0	0	0	111.3	V1018 M1026 C1088	V1018-S1022 WeakPolarHBondContact O-CB 3.42Å; V1018-S1022 PolarHBondContact O-N 2.93Å; V1018-S1022 PolarHBondContact O-OG 3.02Å; S1022-M1026 WeakPolarHBondContact O-CB 3.29Å; S1022-M1026 VanDerWaalsContact O-CG 3.29Å; S1022-M1026 WeakPolarHBondContact O-CG 3.39Å; S1022-M1026 PolarHBondContact O-N 3.41Å; S1022-C1088 PolarHBondContact OG-SG 3.24Å
1023	F	93.7	Very high	91.4	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-62.9	-49.7	174.7	-179.3	-139.8	0	0	0	111.6	V904 V907 A908 L924 V932 I985 I1019 F1020 N1021 M1025 M1026 T1027	V904-F1023 HydrophobicContact CG1-CE2 4.47Å; V904-F1023 HydrophobicContact CG1-CZ 3.95Å; V907-F1023 HydrophobicContact CB-CE2 4.31Å; V907-F1023 HydrophobicContact CG1-CD2 4.37Å; V907-F1023 HydrophobicContact CG1-CE2 3.7Å; V907-F1023 HydrophobicContact CG1-CZ 4.3Å; A908-F1023 HydrophobicContact CB-CZ 4.17Å; L924-F1023 HydrophobicContact CD1-CD1 3.72Å; L924-F1023 HydrophobicContact CD1-CE1 3.91Å; V932-F1023 HydrophobicContact CG1-CE1 3.99Å; V932-F1023 HydrophobicContact CG1-CZ 4.41Å; V932-F1023 HydrophobicContact CG2-CD1 4.29Å; V932-F1023 HydrophobicContact CG2-CE1 4.14Å; I985-F1023 HydrophobicContact CD1-CB 4.16Å; I985-F1023 HydrophobicContact CD1-CD2 3.65Å; I985-F1023 HydrophobicContact CD1-CE2 4.28Å; I985-F1023 HydrophobicContact CD1-CG 4.02Å; I1019-F1023 WeakPolarHBondContact O-CB 3.38Å; I1019-F1023 PolarHBondContact O-N 3.4Å; F1020-F1023 PolarHBondContact O-N 3.08Å; N1021-F1023 VanDerWaalsContact C-N 3.31Å; N1021-F1023 PolarHBondContact O-N 3.43Å; F1023-M1025 PolarHBondContact O-N 3Å; F1023-M1026 PolarHBondContact O-N 3.22Å; F1023-T1027 HydrophobicContact CD2-CG2 4.07Å; F1023-T1027 HydrophobicContact CE2-CG2 3.78Å; F1023-T1027 HydrophobicContact CZ-CG2 4.26Å; F1023-T1027 WeakPolarHBondContact O-CG2 3.21Å; F1023-T1027 PolarHBondContact O-N 2.97Å
1024	V	93.7	Very high	91.7	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-62.8	-39.3	177.9	178.4	0	0	0	0	112.2	V932 I935 F1020 N1021 T1027 L1028 Q1064	V932-V1024 HydrophobicContact CG2-CG2 4.13Å; I935-V1024 HydrophobicContact CD1-CG1 3.88Å; F1020-V1024 HydrophobicContact CD2-CG2 4.13Å; F1020-V1024 HydrophobicContact CE2-CG2 3.76Å; F1020-V1024 HydrophobicContact CZ-CG2 4.26Å; F1020-V1024 WeakPolarHBondContact O-CG2 3.49Å; F1020-V1024 PolarHBondContact O-N 2.81Å; N1021-V1024 PolarHBondContact O-N 3.41Å; V1024-T1027 PolarHBondContact O-N 3.35Å; V1024-T1027 PolarHBondContact O-OG1 3.48Å; V1024-L1028 HydrophobicContact CG1-CD1 4.15Å; V1024-L1028 HydrophobicContact CG1-CG 4.47Å; V1024-L1028 WeakPolarHBondContact O-CG 3.27Å; V1024-L1028 PolarHBondContact O-N 3.48Å; V1024-Q1064 HydrophobicContact CB-CG 4.37Å; V1024-Q1064 HydrophobicContact CG1-CB 4.39Å; V1024-Q1064 HydrophobicContact CG1-CG 3.83Å
1025	M	94.6	Very high	91.8	Very high	0 Å²	0	4.5 Å²	4.5	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-61.5	-47	173.4	-70.6	-60.1	111.4	0	0	111.3	N1021 F1023 T1027 L1028 F1029 F1061 Q1064 W1085 C1088 L1089	N1021-M1025 WeakPolarHBondContact O-CB 3.2Å; N1021-M1025 VanDerWaalsContact O-CG 3.28Å; N1021-M1025 WeakPolarHBondContact O-CG 3.04Å; N1021-M1025 PolarHBondContact O-N 2.93Å; F1023-M1025 PolarHBondContact O-N 3Å; M1025-T1027 VanDerWaalsContact C-N 3.31Å; M1025-T1027 PolarHBondContact O-N 2.83Å; M1025-L1028 HydrophobicContact CE-CD1 3.95Å; M1025-L1028 PolarHBondContact O-N 2.86Å; M1025-F1029 VanDerWaalsContact O-CD2 3.24Å; M1025-F1029 WeakPolarHBondContact O-CD2 3.31Å; M1025-F1029 PolarHBondContact O-N 3.42Å; M1025-F1061 HydrophobicContact CE-CD2 4.02Å; M1025-F1061 HydrophobicContact CE-CE2 4.06Å; M1025-F1061 HydrophobicContact SD-CD2 4.05Å; M1025-F1061 HydrophobicContact SD-CE2 3.65Å; M1025-Q1064 HydrophobicContact CE-CB 4.33Å; M1025-Q1064 HydrophobicContact CE-CG 3.69Å; M1025-W1085 HydrophobicContact CE-CZ3 4.12Å; M1025-W1085 HydrophobicContact SD-CZ3 4.37Å; M1025-C1088 HydrophobicContact CG-CB 4.17Å; M1025-L1089 HydrophobicContact SD-CD2 3.8Å
1026	M	95	Very high	91.8	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-62.8	-32.9	176.7	-72.4	-171.2	-66.5	0	0	113.1	Y980 Q981 V984 I985 S1022 F1023 N1030 F1091 T1095	Y980-M1026 HydrophobicContact CD1-SD 4.17Å; Y980-M1026 HydrophobicContact CE1-SD 3.8Å; Q981-M1026 HydrophobicContact CB-CE 4.37Å; Q981-M1026 HydrophobicContact CB-SD 4.44Å; Q981-M1026 HydrophobicContact CG-CB 4.1Å; Q981-M1026 HydrophobicContact CG-CE 4.42Å; Q981-M1026 HydrophobicContact CG-SD 4.06Å; Q981-M1026 PolarHBondContact NE2-O 3.06Å; Q981-M1026 VanDerWaalsContact NE2-O 3.16Å; V984-M1026 HydrophobicContact CB-CE 3.96Å; V984-M1026 HydrophobicContact CB-SD 3.81Å; V984-M1026 HydrophobicContact CG1-CE 3.73Å; V984-M1026 HydrophobicContact CG1-SD 3.8Å; V984-M1026 HydrophobicContact CG2-SD 4.06Å; I985-M1026 HydrophobicContact CD1-CE 4.22Å; I985-M1026 HydrophobicContact CG1-CE 3.9Å; S1022-M1026 WeakPolarHBondContact O-CB 3.29Å; S1022-M1026 VanDerWaalsContact O-CG 3.29Å; S1022-M1026 WeakPolarHBondContact O-CG 3.39Å; S1022-M1026 PolarHBondContact O-N 3.41Å; F1023-M1026 PolarHBondContact O-N 3.22Å; M1026-N1030 WeakPolarHBondContact O-CB 3.5Å; M1026-N1030 PolarHBondContact O-N 3.28Å; M1026-F1091 HydrophobicContact CG-CB 4.31Å; M1026-F1091 HydrophobicContact SD-CB 4.29Å; M1026-T1095 WeakPolarHBondContact CG-OG1 3.25Å
1027	T	93.5	Very high	91.7	Very high	3 Å²	3	5.7 Å²	5.7	2%	0.018	3%	0.026	C	C	.	.	H	α-helix	trans	-69.3	-46.5	172.6	62.4	0	0	0	0	111.5	F900 V904 F1023 V1024 M1025 F1029 N1030 E1031	F900-T1027 WeakPolarHBondContact CE2-O 3.47Å; V904-T1027 HydrophobicContact CB-CG2 4.44Å; V904-T1027 HydrophobicContact CG1-CG2 3.88Å; V904-T1027 HydrophobicContact CG2-CG2 3.7Å; F1023-T1027 HydrophobicContact CD2-CG2 4.07Å; F1023-T1027 HydrophobicContact CE2-CG2 3.78Å; F1023-T1027 HydrophobicContact CZ-CG2 4.26Å; F1023-T1027 WeakPolarHBondContact O-CG2 3.21Å; F1023-T1027 PolarHBondContact O-N 2.97Å; V1024-T1027 PolarHBondContact O-N 3.35Å; V1024-T1027 PolarHBondContact O-OG1 3.48Å; M1025-T1027 VanDerWaalsContact C-N 3.31Å; M1025-T1027 PolarHBondContact O-N 2.83Å; T1027-F1029 VanDerWaalsContact C-N 3.33Å; T1027-F1029 PolarHBondContact O-N 3.45Å; T1027-N1030 CarbonylContact O-C 3.56Å; T1027-N1030 WeakPolarHBondContact O-CA 3.37Å; T1027-N1030 PolarHBondContact O-N 3.5Å; T1027-E1031 PolarHBondContact O-N 2.82Å
1028	L	93.5	Very high	91.1	Very high	1 Å²	1	9.8 Å²	9.8	1%	0.005	5%	0.046	C	C	.	.	H	α-helix	trans	-59.4	-38.8	177.9	-73.7	172.1	0	0	0	113.2	V1024 M1025 E1031 W1057 T1060 F1061	V1024-L1028 HydrophobicContact CG1-CD1 4.15Å; V1024-L1028 HydrophobicContact CG1-CG 4.47Å; V1024-L1028 WeakPolarHBondContact O-CG 3.27Å; V1024-L1028 PolarHBondContact O-N 3.48Å; M1025-L1028 HydrophobicContact CE-CD1 3.95Å; M1025-L1028 PolarHBondContact O-N 2.86Å; L1028-E1031 WeakPolarHBondContact O-CB 3.46Å; L1028-W1057 HydrophobicContact CB-CZ2 4.4Å; L1028-W1057 PolarHBondContact O-NE1 3.11Å; L1028-T1060 HydrophobicContact CD2-CG2 3.84Å; L1028-F1061 HydrophobicContact CD1-CB 4.44Å; L1028-F1061 HydrophobicContact CD1-CD2 4.42Å
1029	F	94	Very high	90	Very high	23 Å²	23	11.3 Å²	11.3	10%	0.101	6%	0.061	C	C	.	.	H	α-helix	trans	-76.1	-30.1	173.6	-74.5	-71.2	0	0	0	112.7	M1025 T1027 E1031 I1032 N1033 W1057 L1089 G1092 I1093 L1096	M1025-F1029 VanDerWaalsContact O-CD2 3.24Å; M1025-F1029 WeakPolarHBondContact O-CD2 3.31Å; M1025-F1029 PolarHBondContact O-N 3.42Å; T1027-F1029 VanDerWaalsContact C-N 3.33Å; T1027-F1029 PolarHBondContact O-N 3.45Å; F1029-E1031 VanDerWaalsContact C-N 3.33Å; F1029-I1032 HydrophobicContact CD1-CD1 4.23Å; F1029-I1032 PolarHBondContact O-N 3.43Å; F1029-N1033 PolarHBondContact O-N 3.24Å; F1029-W1057 HydrophobicContact CD1-CZ2 4.41Å; F1029-W1057 HydrophobicContact CE1-CH2 4.44Å; F1029-W1057 HydrophobicContact CE1-CZ2 4.13Å; F1029-W1057 HydrophobicContact CZ-CH2 4.44Å; F1029-W1057 HydrophobicContact CZ-CZ2 4.33Å; F1029-L1089 HydrophobicContact CE2-CD2 4.42Å; F1029-G1092 WeakPolarHBondContact CB-O 3.43Å; F1029-G1092 WeakPolarHBondContact CG-O 3.37Å; F1029-I1093 HydrophobicContact CE1-CG1 4.15Å; F1029-I1093 HydrophobicContact CE2-CG1 4.26Å; F1029-I1093 HydrophobicContact CZ-CG1 3.88Å; F1029-L1096 HydrophobicContact CB-CD2 4.17Å; F1029-L1096 HydrophobicContact CB-CG 4.22Å; F1029-L1096 HydrophobicContact CD1-CD1 3.8Å; F1029-L1096 HydrophobicContact CD1-CD2 4.28Å; F1029-L1096 HydrophobicContact CD1-CG 4Å; F1029-L1096 HydrophobicContact CE1-CD1 4.31Å; F1029-L1096 HydrophobicContact CG-CG 4.48Å; F1029-L1096 VanDerWaalsContact O-CD2 3.25Å; F1029-L1096 WeakPolarHBondContact O-CD2 3.39Å
1030	N	92.4	Very high	89.4	Confident	2 Å²	2	14.4 Å²	14.4	1%	0.011	8%	0.076	C	C	.	.	H	α-helix	trans	-69	-28.4	171.7	-170.1	50.7	0	0	0	113.3	Q977 M1026 T1027 I1032 N1033 A1034 T1095	Q977-N1030 WeakPolarHBondContact CG-OD1 3.5Å; M1026-N1030 WeakPolarHBondContact O-CB 3.5Å; M1026-N1030 PolarHBondContact O-N 3.28Å; T1027-N1030 CarbonylContact O-C 3.56Å; T1027-N1030 WeakPolarHBondContact O-CA 3.37Å; T1027-N1030 PolarHBondContact O-N 3.5Å; N1030-I1032 VanDerWaalsContact C-N 3.29Å; N1030-I1032 PolarHBondContact O-N 3.45Å; N1030-N1033 WeakPolarHBondContact O-CB 3.42Å; N1030-N1033 PolarHBondContact O-N 2.95Å; N1030-A1034 WeakPolarHBondContact O-CB 3.42Å; N1030-A1034 PolarHBondContact O-N 3.36Å; N1030-T1095 HydrophobicContact CB-CG2 3.97Å
1031	E	92.4	Very high	88.7	Confident	2 Å²	2	22 Å²	22	1%	0.009	10%	0.104	C	C	.	.	H	α-helix	trans	-58.6	-43.6	173.7	-163.6	-171.8	-178.5	0	0	111	F900 A943 L944 T1027 L1028 F1029 N1033 A1034 R1035 F1053	F900-E1031 HydrophobicContact CD2-CB 4.01Å; F900-E1031 HydrophobicContact CD2-CG 4.28Å; F900-E1031 HydrophobicContact CE2-CB 3.69Å; F900-E1031 HydrophobicContact CE2-CG 4.11Å; F900-E1031 HydrophobicContact CZ-CB 4.26Å; F900-E1031 HydrophobicContact CZ-CG 4.33Å; A943-E1031 WeakPolarHBondContact CB-OE1 3.47Å; L944-E1031 HydrophobicContact CD1-CG 4.23Å; T1027-E1031 PolarHBondContact O-N 2.82Å; L1028-E1031 WeakPolarHBondContact O-CB 3.46Å; F1029-E1031 VanDerWaalsContact C-N 3.33Å; E1031-N1033 PolarHBondContact O-N 2.89Å; E1031-A1034 PolarHBondContact O-N 2.87Å; E1031-R1035 PolarHBondContact O-N 3.46Å; E1031-F1053 HydrophobicContact CG-CE2 3.94Å; E1031-F1053 HydrophobicContact CG-CZ 4.15Å
1032	I	91.6	Very high	88.1	Confident	13 Å²	13	27.8 Å²	27.8	7%	0.067	14%	0.136	C	C	.	.	H	α-helix	trans	-61.3	-45	175.4	-59.5	172.5	0	0	0	110.4	F1029 N1030 R1035 I1043 F1044 F1053 W1057 L1096	F1029-I1032 HydrophobicContact CD1-CD1 4.23Å; F1029-I1032 PolarHBondContact O-N 3.43Å; N1030-I1032 VanDerWaalsContact C-N 3.29Å; N1030-I1032 PolarHBondContact O-N 3.45Å; I1032-R1035 VanDerWaalsContact O-CB 3.29Å; I1032-R1035 WeakPolarHBondContact O-CB 3.29Å; I1032-I1043 HydrophobicContact CG2-CG2 3.72Å; I1032-I1043 WeakPolarHBondContact O-CG2 3.44Å; I1032-F1044 HydrophobicContact CG2-CE1 4.45Å; I1032-F1053 HydrophobicContact CG1-CE1 4.37Å; I1032-F1053 HydrophobicContact CG1-CZ 4.25Å; I1032-W1057 HydrophobicContact CD1-CZ2 4.01Å; I1032-L1096 HydrophobicContact CB-CD2 4.25Å; I1032-L1096 HydrophobicContact CG2-CD2 4.34Å
1033	N	90.5	Very high	87.6	Confident	12 Å²	12	28 Å²	28	6%	0.064	14%	0.137	C	C	.	.	H	α-helix	trans	-60.4	-44.9	174.5	-72.4	-30.8	0	0	0	112.6	Q977 F1029 N1030 E1031 R1035 K1036 I1043 T1095 L1096	Q977-N1033 PolarHBondContact NE2-ND2 3.49Å; F1029-N1033 PolarHBondContact O-N 3.24Å; N1030-N1033 WeakPolarHBondContact O-CB 3.42Å; N1030-N1033 PolarHBondContact O-N 2.95Å; E1031-N1033 PolarHBondContact O-N 2.89Å; N1033-R1035 PolarHBondContact O-N 3.34Å; N1033-R1035 VanDerWaalsContact O-N 3.15Å; N1033-K1036 PolarHBondContact O-N 2.88Å; N1033-K1036 VanDerWaalsContact O-N 3.16Å; N1033-I1043 VanDerWaalsContact OD1-CD1 3.3Å; N1033-I1043 WeakPolarHBondContact OD1-CD1 3.17Å; N1033-T1095 PolarHBondContact ND2-O 3.03Å; N1033-L1096 WeakPolarHBondContact OD1-CD2 3.35Å
1034	A	89.2	Confident	87	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-66	-18.7	-172.2	0	0	0	0	0	114.2	K896 F900 N1030 E1031 K1036	K896-A1034 WeakPolarHBondContact CB-O 3.42Å; F900-A1034 HydrophobicContact CB-CB 3.63Å; F900-A1034 HydrophobicContact CD2-CB 4.43Å; F900-A1034 HydrophobicContact CG-CB 4.48Å; N1030-A1034 WeakPolarHBondContact O-CB 3.42Å; N1030-A1034 PolarHBondContact O-N 3.36Å; E1031-A1034 PolarHBondContact O-N 2.87Å; A1034-K1036 PolarHBondContact O-N 3.4Å; A1034-K1036 VanDerWaalsContact O-N 3.14Å
1035	R	89.4	Confident	86.2	Confident	12 Å²	12	37.7 Å²	37.7	5%	0.045	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-22.3	171.3	-167.9	175.8	168.7	-100.1	-18.8	114.1	K896 L944 E947 E1031 I1032 N1033 I1043 S1045 G1046	K896-R1035 WeakPolarHBondContact CD-O 3.46Å; L944-R1035 HydrophobicContact CD2-CB 4.43Å; E947-R1035 IonicContact OE1-CZ 3.63Å; E947-R1035 VanDerWaalsContact OE1-CZ 3.22Å; E947-R1035 IonicContact OE1-NE 2.65Å; E947-R1035 PolarHBondContact OE1-NE 3.45Å; E947-R1035 IonicContact OE1-NH2 3.27Å; E947-R1035 PolarHBondContact OE1-NH2 3.05Å; E1031-R1035 PolarHBondContact O-N 3.46Å; I1032-R1035 VanDerWaalsContact O-CB 3.29Å; I1032-R1035 WeakPolarHBondContact O-CB 3.29Å; N1033-R1035 PolarHBondContact O-N 3.34Å; N1033-R1035 VanDerWaalsContact O-N 3.15Å; R1035-I1043 PolarHBondContact NH1-O 2.97Å; R1035-S1045 PolarHBondContact NH1-O 2.73Å; R1035-S1045 PolarHBondContact NH2-O 3.39Å; R1035-G1046 PolarHBondContact NH2-O 2.89Å
1036	K	86.5	Confident	85.3	Confident	37 Å²	37	38.8 Å²	38.8	16%	0.161	20%	0.199	C	C	.	.			trans	-119.6	113.4	178.5	-63.9	-58.5	-167	169.2	0	111.7	N1033 A1034 Q1040	N1033-K1036 PolarHBondContact O-N 2.88Å; N1033-K1036 VanDerWaalsContact O-N 3.16Å; A1034-K1036 PolarHBondContact O-N 3.4Å; A1034-K1036 VanDerWaalsContact O-N 3.14Å; K1036-Q1040 HydrophobicContact CD-CB 4.3Å; K1036-Q1040 HydrophobicContact CG-CB 4.5Å
1037	I	84.2	Confident	84.5	Confident	12 Å²	12	40.6 Å²	40.6	6%	0.062	21%	0.209	C	C	.	.			trans	-102.5	-30.1	-176.3	64.9	-176.8	0	0	0	114.2	D892 K896 G1039	D892-I1037 HydrophobicContact CB-CD1 4.46Å; K896-I1037 HydrophobicContact CB-CG2 4.47Å; K896-I1037 HydrophobicContact CG-CG2 3.88Å; I1037-G1039 VanDerWaalsContact C-N 3.26Å; I1037-G1039 PolarHBondContact O-N 3.39Å
1038	H	77.4	Confident	83.8	Confident	87 Å²	87	46.2 Å²	46.2	40%	0.403	24%	0.243	S	C	.	.	S	Bend	trans	-86	28.8	-176.8	-50.2	88.6	0	0	0	114.5	D892 R956 Y959 Q1040	D892-H1038 IonicContact OD1-CE1 2.74Å; D892-H1038 IonicContact OD2-CE1 2.84Å; D892-H1038 PolarHBondContact OD2-CE1 3.36Å; R956-H1038 PolarHBondContact NH1-CE1 2.96Å; R956-H1038 PolarHBondContact NH1-NE2 3.31Å; Y959-H1038 PolarHBondContact OH-NE2 3.43Å; H1038-Q1040 VanDerWaalsContact C-N 3.26Å; H1038-Q1040 PolarHBondContact O-N 3.34Å
1039	G	69.7	Low	83.1	Confident	33 Å²	33	51.7 Å²	51.7	34%	0.34	27%	0.272	S	S	.	.			trans	70.9	11.7	178.1	0	0	0	0	0	115.9	I1037 R1041 I1103	I1037-G1039 VanDerWaalsContact C-N 3.26Å; I1037-G1039 PolarHBondContact O-N 3.39Å; G1039-R1041 PolarHBondContact O-N 3.36Å; G1039-R1041 VanDerWaalsContact O-N 3.16Å; G1039-I1103 WeakPolarHBondContact O-CG2 3.45Å
1040	Q	77.6	Confident	82.4	Confident	66 Å²	66	51 Å²	51	31%	0.308	27%	0.27	S	S	.	.			trans	-62.5	113.6	176.4	-67.3	-172.8	-13.9	0	0	111.1	E952 K1036 H1038 N1042	E952-Q1040 PolarHBondContact OE2-NE2 2.95Å; K1036-Q1040 HydrophobicContact CD-CB 4.3Å; K1036-Q1040 HydrophobicContact CG-CB 4.5Å; H1038-Q1040 VanDerWaalsContact C-N 3.26Å; H1038-Q1040 PolarHBondContact O-N 3.34Å; Q1040-N1042 VanDerWaalsContact C-N 3.31Å; Q1040-N1042 PolarHBondContact O-N 2.99Å
1041	R	76.7	Confident	82.1	Confident	158 Å²	158	56.7 Å²	56.7	60%	0.596	30%	0.299	S	S	*	.	S	Bend	trans	-61.6	-32	-179	-69.6	-177.8	177	178.2	-1.2	114.1	G1039 I1043 Q1100 I1103	G1039-R1041 PolarHBondContact O-N 3.36Å; G1039-R1041 VanDerWaalsContact O-N 3.16Å; R1041-I1043 PolarHBondContact O-N 3.02Å; R1041-Q1100 PolarHBondContact O-NE2 2.89Å; R1041-I1103 HydrophobicContact CG-CG2 3.93Å
1042	N	81.3	Confident	81.8	Confident	123 Å²	123	59.6 Å²	59.6	66%	0.658	32%	0.315	S	S	*	.			trans	-83.3	75.4	-175.9	-71.7	-6	0	0	0	112.4	Q1040 F1044 S1045	Q1040-N1042 VanDerWaalsContact C-N 3.31Å; Q1040-N1042 PolarHBondContact O-N 2.99Å; N1042-F1044 VanDerWaalsContact C-N 3.32Å; N1042-F1044 PolarHBondContact O-N 3.1Å; N1042-S1045 VanDerWaalsContact O-CB 3.25Å; N1042-S1045 WeakPolarHBondContact O-CB 3.48Å; N1042-S1045 PolarHBondContact O-N 3.35Å; N1042-S1045 VanDerWaalsContact O-N 3.11Å
1043	I	81.8	Confident	81.7	Confident	4 Å²	4	59.2 Å²	59.2	2%	0.021	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-43.7	-178.3	-51.4	158.6	0	0	0	112.1	I1032 N1033 R1035 R1041 S1045	I1032-I1043 HydrophobicContact CG2-CG2 3.72Å; I1032-I1043 WeakPolarHBondContact O-CG2 3.44Å; N1033-I1043 VanDerWaalsContact OD1-CD1 3.3Å; N1033-I1043 WeakPolarHBondContact OD1-CD1 3.17Å; R1035-I1043 PolarHBondContact NH1-O 2.97Å; R1041-I1043 PolarHBondContact O-N 3.02Å; I1043-S1045 PolarHBondContact O-N 3.49Å
1044	F	82	Confident	81.7	Confident	134 Å²	134	60.7 Å²	60.7	59%	0.588	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-10.6	-179	-57.3	-70.1	0	0	0	114.4	I1032 N1042 G1046 L1047 L1096	I1032-F1044 HydrophobicContact CG2-CE1 4.45Å; N1042-F1044 VanDerWaalsContact C-N 3.32Å; N1042-F1044 PolarHBondContact O-N 3.1Å; F1044-G1046 PolarHBondContact O-N 3.18Å; F1044-L1047 HydrophobicContact CD1-CD2 4.36Å; F1044-L1047 WeakPolarHBondContact O-CB 3.24Å; F1044-L1047 PolarHBondContact O-N 2.99Å; F1044-L1047 VanDerWaalsContact O-N 3.14Å; F1044-L1096 HydrophobicContact CZ-CD1 4.34Å
1045	S	77.6	Confident	81.8	Confident	69 Å²	69	65.1 Å²	65.1	48%	0.483	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	120.9	-176.2	-174.8	0	0	0	0	111.7	R1035 N1042 I1043 L1047	R1035-S1045 PolarHBondContact NH1-O 2.73Å; R1035-S1045 PolarHBondContact NH2-O 3.39Å; N1042-S1045 VanDerWaalsContact O-CB 3.25Å; N1042-S1045 WeakPolarHBondContact O-CB 3.48Å; N1042-S1045 PolarHBondContact O-N 3.35Å; N1042-S1045 VanDerWaalsContact O-N 3.11Å; I1043-S1045 PolarHBondContact O-N 3.49Å; S1045-L1047 VanDerWaalsContact C-N 3.29Å; S1045-L1047 PolarHBondContact O-N 3.29Å
1046	G	74.4	Confident	81.9	Confident	23 Å²	23	65.1 Å²	65.1	24%	0.237	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.3	16.5	-179	0	0	0	0	0	115.4	R1035 F1044 T1048 N1049	R1035-G1046 PolarHBondContact NH2-O 2.89Å; F1044-G1046 PolarHBondContact O-N 3.18Å; G1046-T1048 PolarHBondContact O-N 3.14Å; G1046-N1049 VanDerWaalsContact O-CB 3.31Å; G1046-N1049 WeakPolarHBondContact O-CB 3.48Å; G1046-N1049 PolarHBondContact O-N 2.69Å
1047	L	79.3	Confident	82.2	Confident	39 Å²	39	65.6 Å²	65.6	20%	0.204	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-56.1	-39.4	179.9	-175.1	67.6	0	0	0	112.3	F1044 S1045 N1049 N1050 F1053	F1044-L1047 HydrophobicContact CD1-CD2 4.36Å; F1044-L1047 WeakPolarHBondContact O-CB 3.24Å; F1044-L1047 PolarHBondContact O-N 2.99Å; F1044-L1047 VanDerWaalsContact O-N 3.14Å; S1045-L1047 VanDerWaalsContact C-N 3.29Å; S1045-L1047 PolarHBondContact O-N 3.29Å; L1047-N1049 VanDerWaalsContact C-N 3.25Å; L1047-N1049 PolarHBondContact O-N 3.35Å; L1047-N1050 PolarHBondContact O-N 3.11Å; L1047-F1053 HydrophobicContact CD1-CD1 3.74Å; L1047-F1053 HydrophobicContact CD1-CE1 3.66Å
1048	T	78	Confident	82.6	Confident	120 Å²	120	69.4 Å²	69.4	74%	0.736	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-70.3	-13.9	177.7	46.8	0	0	0	0	114.4	G1046 N1050	G1046-T1048 PolarHBondContact O-N 3.14Å; T1048-N1050 VanDerWaalsContact C-N 3.3Å; T1048-N1050 PolarHBondContact O-N 2.92Å
1049	N	78.9	Confident	83.3	Confident	116 Å²	116	68.7 Å²	68.7	62%	0.62	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-73.8	-24.2	179.2	-62.4	-5.9	0	0	0	111.9	G1046 L1047	G1046-N1049 VanDerWaalsContact O-CB 3.31Å; G1046-N1049 WeakPolarHBondContact O-CB 3.48Å; G1046-N1049 PolarHBondContact O-N 2.69Å; L1047-N1049 VanDerWaalsContact C-N 3.25Å; L1047-N1049 PolarHBondContact O-N 3.35Å
1050	N	79.1	Confident	84.4	Confident	9 Å²	9	67.3 Å²	67.3	5%	0.048	36%	0.356	C	S	.	.			trans	-105.3	84.2	172.2	-172	-3.9	0	0	0	110.3	A943 T946 L1047 T1048 L1052 F1053 V1054	A943-N1050 PolarHBondContact O-ND2 3.22Å; A943-N1050 VanDerWaalsContact O-ND2 3.09Å; T946-N1050 PolarHBondContact OG1-ND2 3.32Å; L1047-N1050 PolarHBondContact O-N 3.11Å; T1048-N1050 VanDerWaalsContact C-N 3.3Å; T1048-N1050 PolarHBondContact O-N 2.92Å; N1050-L1052 PolarHBondContact O-N 3.37Å; N1050-L1052 WeakPolarHBondContact OD1-CB 3.41Å; N1050-L1052 PolarHBondContact OD1-N 3.2Å; N1050-F1053 HydrophobicContact CB-CB 4.08Å; N1050-F1053 WeakPolarHBondContact O-CB 3.47Å; N1050-F1053 PolarHBondContact O-N 3.34Å; N1050-F1053 PolarHBondContact OD1-N 3.01Å; N1050-V1054 PolarHBondContact O-N 3.34Å
1051	L	85.6	Confident	85.2	Confident	121 Å²	121	66.8 Å²	66.8	63%	0.634	35%	0.352	S	S	*	.	H	α-helix	trans	-57.2	-30.9	177.3	-176.8	63.6	0	0	0	112.7	V1054 I1055	L1051-V1054 PolarHBondContact O-N 2.91Å; L1051-I1055 HydrophobicContact CD1-CD1 4.33Å; L1051-I1055 HydrophobicContact CD1-CG1 4.49Å; L1051-I1055 HydrophobicContact CD2-CD1 4.42Å; L1051-I1055 HydrophobicContact CG-CD1 3.88Å; L1051-I1055 HydrophobicContact CG-CG1 4.45Å; L1051-I1055 VanDerWaalsContact O-CG1 3.31Å; L1051-I1055 WeakPolarHBondContact O-CG1 3.37Å; L1051-I1055 PolarHBondContact O-N 3Å
1052	L	86.3	Confident	86	Confident	64 Å²	64	62.8 Å²	62.8	34%	0.335	35%	0.345	S	S	.	.	H	α-helix	trans	-68	-41.4	179.7	-175.9	60.5	0	0	0	111.7	L942 T946 N1050 V1054 I1055 I1056	L942-L1052 HydrophobicContact CD1-CD2 4.09Å; L942-L1052 HydrophobicContact CG-CD2 4.11Å; T946-L1052 HydrophobicContact CG2-CD2 4.07Å; N1050-L1052 PolarHBondContact O-N 3.37Å; N1050-L1052 WeakPolarHBondContact OD1-CB 3.41Å; N1050-L1052 PolarHBondContact OD1-N 3.2Å; L1052-V1054 PolarHBondContact O-N 2.94Å; L1052-I1055 PolarHBondContact O-N 2.98Å; L1052-I1056 HydrophobicContact CD1-CD1 3.92Å; L1052-I1056 HydrophobicContact CD1-CG1 4.27Å; L1052-I1056 HydrophobicContact CG-CD1 3.83Å; L1052-I1056 WeakPolarHBondContact O-CG1 3.46Å; L1052-I1056 PolarHBondContact O-N 3.27Å
1053	F	89.8	Confident	86.5	Confident	5 Å²	5	60.3 Å²	60.3	2%	0.022	33%	0.332	C	S	.	.	H	α-helix	trans	-56.7	-48.8	172.5	-178.6	-83	0	0	0	111.3	A943 L944 E1031 I1032 L1047 N1050 I1055 I1056 W1057	A943-F1053 HydrophobicContact CB-CD2 3.79Å; A943-F1053 HydrophobicContact CB-CE2 4.39Å; A943-F1053 HydrophobicContact CB-CG 4.49Å; L944-F1053 HydrophobicContact CD2-CD2 4.12Å; L944-F1053 HydrophobicContact CD2-CE2 3.72Å; L944-F1053 HydrophobicContact CG-CE2 4.37Å; E1031-F1053 HydrophobicContact CG-CE2 3.94Å; E1031-F1053 HydrophobicContact CG-CZ 4.15Å; I1032-F1053 HydrophobicContact CG1-CE1 4.37Å; I1032-F1053 HydrophobicContact CG1-CZ 4.25Å; L1047-F1053 HydrophobicContact CD1-CD1 3.74Å; L1047-F1053 HydrophobicContact CD1-CE1 3.66Å; N1050-F1053 HydrophobicContact CB-CB 4.08Å; N1050-F1053 WeakPolarHBondContact O-CB 3.47Å; N1050-F1053 PolarHBondContact O-N 3.34Å; N1050-F1053 PolarHBondContact OD1-N 3.01Å; F1053-I1055 PolarHBondContact O-N 2.86Å; F1053-I1056 PolarHBondContact O-N 3.04Å; F1053-W1057 HydrophobicContact CE1-CB 4.43Å; F1053-W1057 WeakPolarHBondContact O-CB 3.38Å; F1053-W1057 PolarHBondContact O-N 3.43Å
1054	V	91	Very high	87.1	Confident	42 Å²	42	60.1 Å²	60.1	26%	0.255	33%	0.331	S	S	.	.	H	α-helix	trans	-62.6	-41.5	-179.5	179	0	0	0	0	111.6	N1050 L1051 L1052 I1058	N1050-V1054 PolarHBondContact O-N 3.34Å; L1051-V1054 PolarHBondContact O-N 2.91Å; L1052-V1054 PolarHBondContact O-N 2.94Å; V1054-I1058 HydrophobicContact CG1-CD1 3.75Å; V1054-I1058 WeakPolarHBondContact O-CB 3.42Å; V1054-I1058 VanDerWaalsContact O-CG1 3.27Å; V1054-I1058 WeakPolarHBondContact O-CG1 3.19Å; V1054-I1058 PolarHBondContact O-N 3.4Å; V1054-I1058 VanDerWaalsContact O-N 3.1Å
1055	I	91.6	Very high	87.7	Confident	93 Å²	93	56.3 Å²	56.3	48%	0.477	32%	0.318	S	S	.	.	H	α-helix	trans	-63.7	-46.9	176.5	-71.3	168.3	0	0	0	111.3	L1051 L1052 F1053 S1059	L1051-I1055 HydrophobicContact CD1-CD1 4.33Å; L1051-I1055 HydrophobicContact CD1-CG1 4.49Å; L1051-I1055 HydrophobicContact CD2-CD1 4.42Å; L1051-I1055 HydrophobicContact CG-CD1 3.88Å; L1051-I1055 HydrophobicContact CG-CG1 4.45Å; L1051-I1055 VanDerWaalsContact O-CG1 3.31Å; L1051-I1055 WeakPolarHBondContact O-CG1 3.37Å; L1051-I1055 PolarHBondContact O-N 3Å; L1052-I1055 PolarHBondContact O-N 2.98Å; F1053-I1055 PolarHBondContact O-N 2.86Å; I1055-S1059 WeakPolarHBondContact O-CB 3.32Å; I1055-S1059 PolarHBondContact O-N 3.02Å
1056	I	90.4	Very high	88.4	Confident	13 Å²	13	57 Å²	57	7%	0.067	32%	0.316	C	S	.	.	H	α-helix	trans	-65.5	-44.1	-178.6	-69.2	167.6	0	0	0	111	L939 L942 A943 L1052 F1053 S1059 T1060	L939-I1056 HydrophobicContact CB-CG2 3.9Å; L942-I1056 HydrophobicContact CB-CD1 3.97Å; L942-I1056 HydrophobicContact CD2-CD1 3.87Å; L942-I1056 HydrophobicContact CG-CD1 3.73Å; A943-I1056 HydrophobicContact CB-CB 4.23Å; A943-I1056 HydrophobicContact CB-CD1 3.91Å; A943-I1056 HydrophobicContact CB-CG2 4.11Å; L1052-I1056 HydrophobicContact CD1-CD1 3.92Å; L1052-I1056 HydrophobicContact CD1-CG1 4.27Å; L1052-I1056 HydrophobicContact CG-CD1 3.83Å; L1052-I1056 WeakPolarHBondContact O-CG1 3.46Å; L1052-I1056 PolarHBondContact O-N 3.27Å; F1053-I1056 PolarHBondContact O-N 3.04Å; I1056-S1059 PolarHBondContact O-N 3.11Å; I1056-T1060 WeakPolarHBondContact O-CB 3.43Å; I1056-T1060 PolarHBondContact O-N 2.85Å; I1056-T1060 PolarHBondContact O-OG1 3.09Å
1057	W	92.8	Very high	89.2	Confident	47 Å²	47	56.2 Å²	56.2	18%	0.178	31%	0.306	C	S	.	.	H	α-helix	trans	-61.5	-49.1	179.2	-167.3	91.1	0	0	0	111.7	L1028 F1029 I1032 F1053 T1060 F1061	L1028-W1057 HydrophobicContact CB-CZ2 4.4Å; L1028-W1057 PolarHBondContact O-NE1 3.11Å; F1029-W1057 HydrophobicContact CD1-CZ2 4.41Å; F1029-W1057 HydrophobicContact CE1-CH2 4.44Å; F1029-W1057 HydrophobicContact CE1-CZ2 4.13Å; F1029-W1057 HydrophobicContact CZ-CH2 4.44Å; F1029-W1057 HydrophobicContact CZ-CZ2 4.33Å; I1032-W1057 HydrophobicContact CD1-CZ2 4.01Å; F1053-W1057 HydrophobicContact CE1-CB 4.43Å; F1053-W1057 WeakPolarHBondContact O-CB 3.38Å; F1053-W1057 PolarHBondContact O-N 3.43Å; W1057-T1060 PolarHBondContact O-N 3.48Å; W1057-F1061 HydrophobicContact CH2-CD2 4.23Å; W1057-F1061 HydrophobicContact CZ3-CB 4.42Å; W1057-F1061 WeakPolarHBondContact O-CB 3.49Å; W1057-F1061 PolarHBondContact O-N 3.21Å
1058	I	93.6	Very high	89.9	Confident	91 Å²	91	54.4 Å²	54.4	47%	0.467	30%	0.296	S	S	.	.	H	α-helix	trans	-63.1	-44.4	176.9	-67.3	171.7	0	0	0	110.8	V1054 T1060 F1061 V1062	V1054-I1058 HydrophobicContact CG1-CD1 3.75Å; V1054-I1058 WeakPolarHBondContact O-CB 3.42Å; V1054-I1058 VanDerWaalsContact O-CG1 3.27Å; V1054-I1058 WeakPolarHBondContact O-CG1 3.19Å; V1054-I1058 PolarHBondContact O-N 3.4Å; V1054-I1058 VanDerWaalsContact O-N 3.1Å; I1058-T1060 VanDerWaalsContact C-N 3.29Å; I1058-T1060 PolarHBondContact O-N 2.87Å; I1058-F1061 PolarHBondContact O-N 3.47Å; I1058-V1062 HydrophobicContact CG2-CG2 4.37Å; I1058-V1062 WeakPolarHBondContact O-CG2 3.15Å; I1058-V1062 PolarHBondContact O-N 3.49Å
1059	S	91.8	Very high	90.5	Very high	73 Å²	73	52.8 Å²	52.8	51%	0.51	28%	0.281	S	S	.	.	H	α-helix	trans	-63	-37	179.5	-169.5	0	0	0	0	112.2	I1055 I1056 L1063	I1055-S1059 WeakPolarHBondContact O-CB 3.32Å; I1055-S1059 PolarHBondContact O-N 3.02Å; I1056-S1059 PolarHBondContact O-N 3.11Å; S1059-L1063 VanDerWaalsContact O-CB 3.29Å; S1059-L1063 WeakPolarHBondContact O-CB 3.2Å; S1059-L1063 PolarHBondContact O-N 3.16Å
1060	T	92.2	Very high	91.1	Very high	4 Å²	4	55.1 Å²	55.1	3%	0.025	29%	0.285	C	S	.	.	H	α-helix	trans	-72.7	-40.5	178.7	-51.9	0	0	0	0	111.1	W931 I935 L939 L1028 I1056 W1057 I1058 L1063 Q1064	W931-T1060 HydrophobicContact CH2-CG2 4.46Å; W931-T1060 HydrophobicContact CZ2-CG2 4.3Å; I935-T1060 HydrophobicContact CB-CG2 4.46Å; I935-T1060 HydrophobicContact CD1-CG2 3.69Å; I935-T1060 HydrophobicContact CG1-CG2 3.66Å; I935-T1060 HydrophobicContact CG2-CG2 4.05Å; L939-T1060 HydrophobicContact CD1-CG2 4.49Å; L1028-T1060 HydrophobicContact CD2-CG2 3.84Å; I1056-T1060 WeakPolarHBondContact O-CB 3.43Å; I1056-T1060 PolarHBondContact O-N 2.85Å; I1056-T1060 PolarHBondContact O-OG1 3.09Å; W1057-T1060 PolarHBondContact O-N 3.48Å; I1058-T1060 VanDerWaalsContact C-N 3.29Å; I1058-T1060 PolarHBondContact O-N 2.87Å; T1060-L1063 PolarHBondContact O-N 3.45Å; T1060-Q1064 WeakPolarHBondContact O-CB 3.47Å; T1060-Q1064 PolarHBondContact O-N 3.19Å
1061	F	94.2	Very high	91.3	Very high	54 Å²	54	55.2 Å²	55.2	24%	0.237	29%	0.289	C	S	.	.	H	α-helix	trans	-60.1	-47.7	173.4	-175.8	-88.1	0	0	0	111.8	M1025 L1028 W1057 I1058 L1063 Q1064 V1065 L1089	M1025-F1061 HydrophobicContact CE-CD2 4.02Å; M1025-F1061 HydrophobicContact CE-CE2 4.06Å; M1025-F1061 HydrophobicContact SD-CD2 4.05Å; M1025-F1061 HydrophobicContact SD-CE2 3.65Å; L1028-F1061 HydrophobicContact CD1-CB 4.44Å; L1028-F1061 HydrophobicContact CD1-CD2 4.42Å; W1057-F1061 HydrophobicContact CH2-CD2 4.23Å; W1057-F1061 HydrophobicContact CZ3-CB 4.42Å; W1057-F1061 WeakPolarHBondContact O-CB 3.49Å; W1057-F1061 PolarHBondContact O-N 3.21Å; I1058-F1061 PolarHBondContact O-N 3.47Å; F1061-L1063 PolarHBondContact O-N 3.4Å; F1061-Q1064 PolarHBondContact O-N 2.78Å; F1061-V1065 HydrophobicContact CD1-CG2 4.34Å; F1061-V1065 HydrophobicContact CE1-CG2 4.02Å; F1061-V1065 WeakPolarHBondContact O-CG2 3.35Å; F1061-V1065 PolarHBondContact O-N 3.38Å; F1061-L1089 HydrophobicContact CE2-CD2 3.9Å; F1061-L1089 HydrophobicContact CZ-CD2 4.19Å
1062	V	94.6	Very high	91.2	Very high	75 Å²	75	50.9 Å²	50.9	46%	0.455	27%	0.273	S	S	.	.	H	α-helix	trans	-63.5	-41.9	177.6	171	0	0	0	0	111.6	I1058 V1065 I1066	I1058-V1062 HydrophobicContact CG2-CG2 4.37Å; I1058-V1062 WeakPolarHBondContact O-CG2 3.15Å; I1058-V1062 PolarHBondContact O-N 3.49Å; V1062-V1065 PolarHBondContact O-N 2.87Å; V1062-I1066 HydrophobicContact CG1-CD1 4.09Å; V1062-I1066 WeakPolarHBondContact O-CG1 3.25Å; V1062-I1066 PolarHBondContact O-N 3.16Å
1063	L	92.3	Very high	91	Very high	70 Å²	70	53.1 Å²	53.1	37%	0.366	28%	0.278	S	S	.	.	H	α-helix	trans	-67.9	-35.3	177.7	-174.6	48	0	0	0	112.1	W931 S1059 T1060 F1061 I1066 I1067	W931-L1063 HydrophobicContact CH2-CB 4.15Å; W931-L1063 HydrophobicContact CH2-CD2 3.5Å; W931-L1063 HydrophobicContact CH2-CG 3.63Å; W931-L1063 HydrophobicContact CZ2-CB 4.44Å; W931-L1063 HydrophobicContact CZ2-CD2 4.45Å; W931-L1063 HydrophobicContact CZ2-CG 4.11Å; W931-L1063 HydrophobicContact CZ3-CD2 3.85Å; W931-L1063 HydrophobicContact CZ3-CG 4.28Å; S1059-L1063 VanDerWaalsContact O-CB 3.29Å; S1059-L1063 WeakPolarHBondContact O-CB 3.2Å; S1059-L1063 PolarHBondContact O-N 3.16Å; T1060-L1063 PolarHBondContact O-N 3.45Å; F1061-L1063 PolarHBondContact O-N 3.4Å; L1063-I1066 HydrophobicContact CD1-CB 4.49Å; L1063-I1066 PolarHBondContact O-N 3.25Å; L1063-I1067 HydrophobicContact CD1-CD1 4.21Å; L1063-I1067 HydrophobicContact CD1-CG1 4.31Å; L1063-I1067 HydrophobicContact CG-CD1 4.03Å; L1063-I1067 VanDerWaalsContact O-CG1 3.31Å; L1063-I1067 WeakPolarHBondContact O-CG1 3.35Å; L1063-I1067 PolarHBondContact O-N 2.75Å
1064	Q	94	Very high	90.5	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-62.4	-42.2	170.8	-179.3	64.5	14.2	0	0	111.8	N1021 V1024 M1025 T1060 F1061 I1066 I1067 I1068	N1021-Q1064 PolarHBondContact OD1-NE2 3.27Å; V1024-Q1064 HydrophobicContact CB-CG 4.37Å; V1024-Q1064 HydrophobicContact CG1-CB 4.39Å; V1024-Q1064 HydrophobicContact CG1-CG 3.83Å; M1025-Q1064 HydrophobicContact CE-CB 4.33Å; M1025-Q1064 HydrophobicContact CE-CG 3.69Å; T1060-Q1064 WeakPolarHBondContact O-CB 3.47Å; T1060-Q1064 PolarHBondContact O-N 3.19Å; F1061-Q1064 PolarHBondContact O-N 2.78Å; Q1064-I1066 VanDerWaalsContact C-N 3.31Å; Q1064-I1066 PolarHBondContact O-N 3.13Å; Q1064-I1067 PolarHBondContact O-N 2.97Å; Q1064-I1068 HydrophobicContact CG-CG1 4.48Å; Q1064-I1068 VanDerWaalsContact O-CG1 3.3Å; Q1064-I1068 WeakPolarHBondContact O-CG1 3.43Å; Q1064-I1068 PolarHBondContact O-N 2.92Å
1065	V	93.6	Very high	90.1	Very high	55 Å²	55	55.7 Å²	55.7	33%	0.333	29%	0.294	S	S	.	.	H	α-helix	trans	-59	-42.6	173.7	172.4	0	0	0	0	111.2	F1061 V1062 Q1069 W1085	F1061-V1065 HydrophobicContact CD1-CG2 4.34Å; F1061-V1065 HydrophobicContact CE1-CG2 4.02Å; F1061-V1065 WeakPolarHBondContact O-CG2 3.35Å; F1061-V1065 PolarHBondContact O-N 3.38Å; V1062-V1065 PolarHBondContact O-N 2.87Å; V1065-Q1069 WeakPolarHBondContact O-CB 3.3Å; V1065-Q1069 PolarHBondContact O-N 3.13Å; V1065-W1085 HydrophobicContact CB-CH2 4.3Å; V1065-W1085 HydrophobicContact CB-CZ2 4.38Å; V1065-W1085 HydrophobicContact CG2-CH2 3.63Å; V1065-W1085 HydrophobicContact CG2-CZ2 4.05Å; V1065-W1085 HydrophobicContact CG2-CZ3 4.21Å
1066	I	93.7	Very high	89.6	Confident	82 Å²	82	53.1 Å²	53.1	42%	0.421	28%	0.284	S	S	.	.	H	α-helix	trans	-64.3	-44.9	176.7	-66.7	165.3	0	0	0	111.5	V1062 L1063 Q1064 I1068 Q1069 F1070	V1062-I1066 HydrophobicContact CG1-CD1 4.09Å; V1062-I1066 WeakPolarHBondContact O-CG1 3.25Å; V1062-I1066 PolarHBondContact O-N 3.16Å; L1063-I1066 HydrophobicContact CD1-CB 4.49Å; L1063-I1066 PolarHBondContact O-N 3.25Å; Q1064-I1066 VanDerWaalsContact C-N 3.31Å; Q1064-I1066 PolarHBondContact O-N 3.13Å; I1066-I1068 PolarHBondContact O-N 2.98Å; I1066-Q1069 PolarHBondContact O-N 3.07Å; I1066-F1070 HydrophobicContact CG2-CD2 4.25Å; I1066-F1070 WeakPolarHBondContact O-CB 3.28Å; I1066-F1070 PolarHBondContact O-N 3.44Å
1067	I	91.1	Very high	89.5	Confident	8 Å²	8	52.6 Å²	52.6	4%	0.041	28%	0.281	C	S	.	.	H	α-helix	trans	-64.1	-38	179.9	-73	164.9	0	0	0	112.1	W931 F1020 L1063 Q1064 G1071 F1075 T1077	W931-I1067 HydrophobicContact CD2-CD1 3.72Å; W931-I1067 VanDerWaalsContact CE2-CD1 3.43Å; W931-I1067 HydrophobicContact CE3-CD1 4.14Å; W931-I1067 HydrophobicContact CG-CD1 4.27Å; W931-I1067 HydrophobicContact CH2-CD1 4.15Å; W931-I1067 HydrophobicContact CZ2-CD1 3.66Å; W931-I1067 HydrophobicContact CZ3-CD1 4.34Å; F1020-I1067 HydrophobicContact CE1-CG2 4.21Å; F1020-I1067 HydrophobicContact CZ-CG2 4.42Å; L1063-I1067 HydrophobicContact CD1-CD1 4.21Å; L1063-I1067 HydrophobicContact CD1-CG1 4.31Å; L1063-I1067 HydrophobicContact CG-CD1 4.03Å; L1063-I1067 VanDerWaalsContact O-CG1 3.31Å; L1063-I1067 WeakPolarHBondContact O-CG1 3.35Å; L1063-I1067 PolarHBondContact O-N 2.75Å; Q1064-I1067 PolarHBondContact O-N 2.97Å; I1067-G1071 WeakPolarHBondContact O-CA 3.49Å; I1067-G1071 PolarHBondContact O-N 2.87Å; I1067-F1075 HydrophobicContact CD1-CE1 4.1Å; I1067-F1075 HydrophobicContact CD1-CZ 4.36Å; I1067-F1075 HydrophobicContact CG1-CD1 4.5Å; I1067-F1075 HydrophobicContact CG1-CE1 4.19Å; I1067-F1075 HydrophobicContact CG1-CE2 4.46Å; I1067-F1075 HydrophobicContact CG1-CZ 4.17Å; I1067-F1075 HydrophobicContact CG2-CB 4.06Å; I1067-F1075 HydrophobicContact CG2-CD1 3.66Å; I1067-F1075 HydrophobicContact CG2-CD2 4.38Å; I1067-F1075 HydrophobicContact CG2-CE1 4.17Å; I1067-F1075 HydrophobicContact CG2-CG 3.78Å; I1067-T1077 PolarHBondContact O-OG1 3.02Å
1068	I	93	Very high	89.3	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-71.9	-41.7	176.7	-65.4	-67.8	0	0	0	111.3	T1017 F1020 N1021 Q1064 I1066 T1077 L1080 W1085	T1017-I1068 HydrophobicContact CG2-CD1 3.59Å; T1017-I1068 HydrophobicContact CG2-CG2 4.3Å; F1020-I1068 HydrophobicContact CD1-CD1 3.72Å; F1020-I1068 HydrophobicContact CE1-CD1 3.76Å; N1021-I1068 HydrophobicContact CB-CD1 3.76Å; N1021-I1068 HydrophobicContact CB-CG1 4.3Å; Q1064-I1068 HydrophobicContact CG-CG1 4.48Å; Q1064-I1068 VanDerWaalsContact O-CG1 3.3Å; Q1064-I1068 WeakPolarHBondContact O-CG1 3.43Å; Q1064-I1068 PolarHBondContact O-N 2.92Å; I1066-I1068 PolarHBondContact O-N 2.98Å; I1068-T1077 HydrophobicContact CD1-CG2 4.15Å; I1068-L1080 HydrophobicContact CG2-CB 4.12Å; I1068-L1080 HydrophobicContact CG2-CD1 3.97Å; I1068-L1080 HydrophobicContact CG2-CG 3.81Å; I1068-W1085 HydrophobicContact CB-CH2 4.43Å; I1068-W1085 HydrophobicContact CB-CZ2 3.71Å; I1068-W1085 HydrophobicContact CG1-CH2 4.23Å; I1068-W1085 HydrophobicContact CG1-CZ2 3.98Å; I1068-W1085 HydrophobicContact CG2-CZ2 3.67Å
1069	Q	92	Very high	89.1	Confident	87 Å²	87	54.6 Å²	54.6	41%	0.407	29%	0.292	S	S	.	.	H	α-helix	trans	-80.4	-31.1	-175	-167.4	61.1	30.8	0	0	113.9	V1065 I1066	V1065-Q1069 WeakPolarHBondContact O-CB 3.3Å; V1065-Q1069 PolarHBondContact O-N 3.13Å; I1066-Q1069 PolarHBondContact O-N 3.07Å
1070	F	91	Very high	89	Confident	164 Å²	164	51.6 Å²	51.6	72%	0.719	27%	0.27	S	S	*	.	H	α-helix	trans	-126.8	-5.6	-172	-57.1	-76.3	0	0	0	114.7	I1066 G1072	I1066-F1070 HydrophobicContact CG2-CD2 4.25Å; I1066-F1070 WeakPolarHBondContact O-CB 3.28Å; I1066-F1070 PolarHBondContact O-N 3.44Å; F1070-G1072 PolarHBondContact O-N 2.89Å
1071	G	82.7	Confident	88.8	Confident	11 Å²	11	53.9 Å²	53.9	11%	0.113	29%	0.289	C	S	.	.			trans	-69.5	-29.3	-174.9	0	0	0	0	0	115.1	I1067 A1074 F1075	I1067-G1071 WeakPolarHBondContact O-CA 3.49Å; I1067-G1071 PolarHBondContact O-N 2.87Å; G1071-A1074 PolarHBondContact O-N 2.87Å; G1071-F1075 PolarHBondContact O-N 3.41Å
1072	G	84.7	Confident	88.6	Confident	30 Å²	30	57.9 Å²	57.9	31%	0.309	31%	0.312	S	S	.	.	H	α-helix	trans	50.6	-141.2	171.7	0	0	0	0	0	113.8	F1070 A1074 F1075 S1076 T1077	F1070-G1072 PolarHBondContact O-N 2.89Å; G1072-A1074 VanDerWaalsContact C-N 3.26Å; G1072-A1074 PolarHBondContact O-N 3.05Å; G1072-F1075 PolarHBondContact O-N 2.89Å; G1072-S1076 CarbonylContact O-C 3.33Å; G1072-S1076 WeakPolarHBondContact O-CA 3.26Å; G1072-S1076 PolarHBondContact O-N 3.38Å; G1072-T1077 CarbonylContact C-O 3.43Å; G1072-T1077 VanDerWaalsContact CA-O 3.25Å; G1072-T1077 WeakPolarHBondContact CA-O 3.47Å; G1072-T1077 PolarHBondContact N-OG1 3.49Å; G1072-T1077 PolarHBondContact O-N 3.42Å
1073	Y	80.7	Confident	88.4	Confident	111 Å²	111	60.4 Å²	60.4	44%	0.435	32%	0.319	S	S	.	.	H	α-helix	trans	-58.2	-34	176.4	-72.3	-80.5	0	0	0	113.7	V113 P1012 F1075 S1076	V113-Y1073 HydrophobicContact CG1-CD1 3.6Å; V113-Y1073 HydrophobicContact CG1-CE1 4.13Å; V113-Y1073 HydrophobicContact CG1-CG 4.26Å; V113-Y1073 HydrophobicContact CG2-CD1 4.04Å; V113-Y1073 HydrophobicContact CG2-CE1 4.04Å; V113-Y1073 HydrophobicContact CG2-CG 4.39Å; P1012-Y1073 HydrophobicContact CG-CD1 3.98Å; P1012-Y1073 HydrophobicContact CG-CE1 3.88Å; P1012-Y1073 HydrophobicContact CG-CG 4.5Å; Y1073-F1075 VanDerWaalsContact C-N 3.34Å; Y1073-F1075 PolarHBondContact O-N 2.89Å; Y1073-S1076 PolarHBondContact O-N 3.3Å; Y1073-S1076 VanDerWaalsContact O-N 3.1Å
1074	A	80.4	Confident	88.3	Confident	42 Å²	42	58 Å²	58	35%	0.347	31%	0.306	S	S	.	.	H	α-helix	trans	-65.6	-34.1	-176.4	0	0	0	0	0	113.3	I116 G1071 G1072	I116-A1074 HydrophobicContact CG2-CB 4.38Å; G1071-A1074 PolarHBondContact O-N 2.87Å; G1072-A1074 VanDerWaalsContact C-N 3.26Å; G1072-A1074 PolarHBondContact O-N 3.05Å
1075	F	82.2	Confident	88.2	Confident	59 Å²	59	59.3 Å²	59.3	26%	0.259	31%	0.311	S	S	.	.	H	α-helix	trans	-102.5	3.5	171.6	-74.4	-92.1	0	0	0	113.2	V927 Q928 I1067 G1071 G1072 Y1073 T1077	V927-F1075 HydrophobicContact CG1-CD1 3.9Å; V927-F1075 HydrophobicContact CG1-CE1 4.1Å; V927-F1075 HydrophobicContact CG1-CG 4.49Å; Q928-F1075 VanDerWaalsContact CG-O 3.32Å; Q928-F1075 WeakPolarHBondContact CG-O 3.46Å; Q928-F1075 PolarHBondContact NE2-O 3.21Å; I1067-F1075 HydrophobicContact CD1-CE1 4.1Å; I1067-F1075 HydrophobicContact CD1-CZ 4.36Å; I1067-F1075 HydrophobicContact CG1-CD1 4.5Å; I1067-F1075 HydrophobicContact CG1-CE1 4.19Å; I1067-F1075 HydrophobicContact CG1-CE2 4.46Å; I1067-F1075 HydrophobicContact CG1-CZ 4.17Å; I1067-F1075 HydrophobicContact CG2-CB 4.06Å; I1067-F1075 HydrophobicContact CG2-CD1 3.66Å; I1067-F1075 HydrophobicContact CG2-CD2 4.38Å; I1067-F1075 HydrophobicContact CG2-CE1 4.17Å; I1067-F1075 HydrophobicContact CG2-CG 3.78Å; G1071-F1075 PolarHBondContact O-N 3.41Å; G1072-F1075 PolarHBondContact O-N 2.89Å; Y1073-F1075 VanDerWaalsContact C-N 3.34Å; Y1073-F1075 PolarHBondContact O-N 2.89Å; F1075-T1077 HydrophobicContact CB-CG2 4.05Å; F1075-T1077 PolarHBondContact O-N 3.13Å
1076	S	80.6	Confident	88.2	Confident	39 Å²	39	61.7 Å²	61.7	27%	0.273	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	40	-169.9	-60.7	0	0	0	0	113.4	Q928 G1072 Y1073	Q928-S1076 PolarHBondContact NE2-O 2.97Å; G1072-S1076 CarbonylContact O-C 3.33Å; G1072-S1076 WeakPolarHBondContact O-CA 3.26Å; G1072-S1076 PolarHBondContact O-N 3.38Å; Y1073-S1076 PolarHBondContact O-N 3.3Å; Y1073-S1076 VanDerWaalsContact O-N 3.1Å
1077	T	88	Confident	88.1	Confident	2 Å²	2	61.9 Å²	61.9	1%	0.012	32%	0.317	C	S	.	.			trans	-109.8	147.9	179.2	54.2	0	0	0	0	112	T1017 F1020 I1067 I1068 G1072 F1075	T1017-T1077 HydrophobicContact CG2-CG2 4.05Å; T1017-T1077 WeakPolarHBondContact OG1-CA 3.22Å; F1020-T1077 HydrophobicContact CD1-CG2 4.02Å; F1020-T1077 HydrophobicContact CE1-CG2 3.94Å; I1067-T1077 PolarHBondContact O-OG1 3.02Å; I1068-T1077 HydrophobicContact CD1-CG2 4.15Å; G1072-T1077 CarbonylContact C-O 3.43Å; G1072-T1077 VanDerWaalsContact CA-O 3.25Å; G1072-T1077 WeakPolarHBondContact CA-O 3.47Å; G1072-T1077 PolarHBondContact N-OG1 3.49Å; G1072-T1077 PolarHBondContact O-N 3.42Å; F1075-T1077 HydrophobicContact CB-CG2 4.05Å; F1075-T1077 PolarHBondContact O-N 3.13Å
1078	R	88.4	Confident	88.1	Confident	114 Å²	114	61.5 Å²	61.5	43%	0.43	32%	0.315	S	S	.	.			trans	-117.5	134.7	168.9	-167.6	172.8	-169.1	-145.6	12.6	108.5	E1014 T1017 L1080	E1014-R1078 HydrophobicContact CG-CB 4.31Å; E1014-R1078 HydrophobicContact CG-CG 4.24Å; E1014-R1078 WeakPolarHBondContact OE1-CD 3.49Å; E1014-R1078 IonicContact OE1-CZ 3.84Å; E1014-R1078 IonicContact OE1-NE 3.82Å; E1014-R1078 PolarHBondContact OE1-NE 3.12Å; E1014-R1078 IonicContact OE1-NH1 2.88Å; E1014-R1078 PolarHBondContact OE1-NH1 2.83Å; E1014-R1078 IonicContact OE2-NH1 3.99Å; T1017-R1078 WeakPolarHBondContact CG2-O 3.31Å; T1017-R1078 PolarHBondContact OG1-N 3.38Å; R1078-L1080 PolarHBondContact O-N 3.26Å
1079	P	90.4	Very high	88.1	Confident	67 Å²	67	63.6 Å²	63.6	44%	0.435	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-58.5	124.8	-175.3	22.6	-34.3	0	0	0	111.4
1080	L	89.6	Confident	88.3	Confident	10 Å²	10	65.5 Å²	65.5	5%	0.052	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-84.8	143.1	-175.6	-66	-177	0	0	0	112.3	E1014 T1017 V1018 N1021 I1068 R1078 H1084	E1014-L1080 HydrophobicContact CB-CD2 4.32Å; E1014-L1080 HydrophobicContact CG-CD2 4.04Å; T1017-L1080 HydrophobicContact CG2-CD1 4.12Å; T1017-L1080 HydrophobicContact CG2-CD2 3.96Å; T1017-L1080 HydrophobicContact CG2-CG 3.88Å; V1018-L1080 HydrophobicContact CG2-CD1 3.98Å; V1018-L1080 HydrophobicContact CG2-CD2 3.56Å; V1018-L1080 HydrophobicContact CG2-CG 4.43Å; N1021-L1080 HydrophobicContact CB-CD1 4.09Å; I1068-L1080 HydrophobicContact CG2-CB 4.12Å; I1068-L1080 HydrophobicContact CG2-CD1 3.97Å; I1068-L1080 HydrophobicContact CG2-CG 3.81Å; R1078-L1080 PolarHBondContact O-N 3.26Å; L1080-H1084 HydrophobicContact CB-CB 4.22Å; L1080-H1084 HydrophobicContact CD2-CB 4.41Å
1081	A	88.3	Confident	88.4	Confident	52 Å²	52	58.4 Å²	58.4	43%	0.43	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-65.6	158	170.2	0	0	0	0	0	111.7	E1083 H1084 W1085	A1081-E1083 PolarHBondContact O-N 3.12Å; A1081-H1084 PolarHBondContact O-N 2.86Å; A1081-H1084 VanDerWaalsContact O-N 3.16Å; A1081-W1085 PolarHBondContact O-N 3.31Å
1082	L	89.8	Confident	88.9	Confident	138 Å²	138	57.9 Å²	57.9	72%	0.723	30%	0.297	S	S	*	.	H	α-helix	trans	-57.7	-35.2	178.6	-176.6	63.4	0	0	0	112.3	W1085 L1086	L1082-W1085 WeakPolarHBondContact O-CB 3.5Å; L1082-W1085 PolarHBondContact O-N 3.42Å; L1082-L1086 WeakPolarHBondContact O-CG 3.44Å; L1082-L1086 PolarHBondContact O-N 3.29Å
1083	E	90.6	Very high	89.4	Confident	128 Å²	128	60.5 Å²	60.5	60%	0.598	30%	0.302	S	S	*	.	H	α-helix	trans	-64.8	-47.5	175.8	179.4	166.8	-169.2	0	0	112.5	A1081 W1085 L1086 W1087	A1081-E1083 PolarHBondContact O-N 3.12Å; E1083-W1085 PolarHBondContact O-N 2.88Å; E1083-L1086 WeakPolarHBondContact O-CB 3.46Å; E1083-L1086 PolarHBondContact O-N 2.84Å; E1083-L1086 VanDerWaalsContact O-N 3.09Å; E1083-W1087 VanDerWaalsContact O-CD1 3.26Å; E1083-W1087 PolarHBondContact O-N 3.49Å
1084	H	90.3	Very high	90	Very high	19 Å²	19	55.9 Å²	55.9	9%	0.088	29%	0.289	C	S	.	.	H	α-helix	trans	-61	-36.2	175.2	-59.2	158.2	0	0	0	111.6	L996 V1018 L1080 A1081 W1087 C1088	L996-H1084 PolarHBondContact O-NE2 2.91Å; L996-H1084 VanDerWaalsContact O-NE2 3.15Å; V1018-H1084 HydrophobicContact CG2-CB 4.02Å; L1080-H1084 HydrophobicContact CB-CB 4.22Å; L1080-H1084 HydrophobicContact CD2-CB 4.41Å; A1081-H1084 PolarHBondContact O-N 2.86Å; A1081-H1084 VanDerWaalsContact O-N 3.16Å; H1084-W1087 PolarHBondContact O-N 2.9Å; H1084-C1088 PolarHBondContact O-N 2.91Å; H1084-C1088 PolarHBondContact O-SG 3.48Å
1085	W	91.6	Very high	90.6	Very high	27 Å²	27	53.9 Å²	53.9	10%	0.102	27%	0.272	C	S	.	.	H	α-helix	trans	-63.2	-42.9	171.4	-93.7	107.5	0	0	0	113.2	N1021 M1025 V1065 I1068 A1081 L1082 E1083 W1087 C1088 L1089	N1021-W1085 VanDerWaalsContact ND2-CE3 3.27Å; N1021-W1085 WeakPolarHBondContact ND2-CH2 3.41Å; N1021-W1085 WeakPolarHBondContact ND2-CZ3 3.25Å; M1025-W1085 HydrophobicContact CE-CZ3 4.12Å; M1025-W1085 HydrophobicContact SD-CZ3 4.37Å; V1065-W1085 HydrophobicContact CB-CH2 4.3Å; V1065-W1085 HydrophobicContact CB-CZ2 4.38Å; V1065-W1085 HydrophobicContact CG2-CH2 3.63Å; V1065-W1085 HydrophobicContact CG2-CZ2 4.05Å; V1065-W1085 HydrophobicContact CG2-CZ3 4.21Å; I1068-W1085 HydrophobicContact CB-CH2 4.43Å; I1068-W1085 HydrophobicContact CB-CZ2 3.71Å; I1068-W1085 HydrophobicContact CG1-CH2 4.23Å; I1068-W1085 HydrophobicContact CG1-CZ2 3.98Å; I1068-W1085 HydrophobicContact CG2-CZ2 3.67Å; A1081-W1085 PolarHBondContact O-N 3.31Å; L1082-W1085 WeakPolarHBondContact O-CB 3.5Å; L1082-W1085 PolarHBondContact O-N 3.42Å; E1083-W1085 PolarHBondContact O-N 2.88Å; W1085-W1087 VanDerWaalsContact C-N 3.32Å; W1085-W1087 PolarHBondContact O-N 3.29Å; W1085-C1088 WeakPolarHBondContact O-CB 3.22Å; W1085-C1088 PolarHBondContact O-N 3.47Å; W1085-L1089 WeakPolarHBondContact O-CG 3.25Å; W1085-L1089 PolarHBondContact O-N 3.28Å
1086	L	93.1	Very high	91.1	Very high	106 Å²	106	52.1 Å²	52.1	56%	0.555	27%	0.265	S	S	*	.	H	α-helix	trans	-62.8	-38.6	176.2	-72.4	168.5	0	0	0	111.6	L1082 E1083 L1089 F1090	L1082-L1086 WeakPolarHBondContact O-CG 3.44Å; L1082-L1086 PolarHBondContact O-N 3.29Å; E1083-L1086 WeakPolarHBondContact O-CB 3.46Å; E1083-L1086 PolarHBondContact O-N 2.84Å; E1083-L1086 VanDerWaalsContact O-N 3.09Å; L1086-L1089 PolarHBondContact O-N 3.2Å; L1086-F1090 WeakPolarHBondContact O-CB 3.26Å; L1086-F1090 PolarHBondContact O-N 3.1Å
1087	W	91.5	Very high	91.6	Very high	85 Å²	85	56 Å²	56	32%	0.322	28%	0.282	S	S	.	.	H	α-helix	trans	-63.6	-44.6	171.5	-75.6	112.1	0	0	0	112.6	L996 E1083 H1084 W1085 L1089 F1090 F1091	L996-W1087 HydrophobicContact CD2-CB 4.13Å; L996-W1087 HydrophobicContact CD2-CG 3.81Å; E1083-W1087 VanDerWaalsContact O-CD1 3.26Å; E1083-W1087 PolarHBondContact O-N 3.49Å; H1084-W1087 PolarHBondContact O-N 2.9Å; W1085-W1087 VanDerWaalsContact C-N 3.32Å; W1085-W1087 PolarHBondContact O-N 3.29Å; W1087-L1089 VanDerWaalsContact C-N 3.3Å; W1087-L1089 PolarHBondContact O-N 3.19Å; W1087-F1090 HydrophobicContact CE3-CD1 4.15Å; W1087-F1090 HydrophobicContact CZ3-CD1 4.17Å; W1087-F1090 HydrophobicContact CZ3-CE1 4.4Å; W1087-F1090 WeakPolarHBondContact O-CB 3.45Å; W1087-F1090 PolarHBondContact O-N 2.76Å; W1087-F1091 HydrophobicContact CB-CE2 4.37Å; W1087-F1091 HydrophobicContact CE3-CE2 4.45Å; W1087-F1091 HydrophobicContact CE3-CZ 4.3Å; W1087-F1091 WeakPolarHBondContact O-CD2 3.36Å; W1087-F1091 PolarHBondContact O-N 3.38Å; W1087-F1091 VanDerWaalsContact O-N 3.13Å
1088	C	92.3	Very high	91.8	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-57.8	-42.9	174.7	-63.8	0	0	0	0	111.9	N1021 S1022 M1025 H1084 W1085 G1092	N1021-C1088 PolarHBondContact ND2-SG 3Å; N1021-C1088 VanDerWaalsContact ND2-SG 3.44Å; S1022-C1088 PolarHBondContact OG-SG 3.24Å; M1025-C1088 HydrophobicContact CG-CB 4.17Å; H1084-C1088 PolarHBondContact O-N 2.91Å; H1084-C1088 PolarHBondContact O-SG 3.48Å; W1085-C1088 WeakPolarHBondContact O-CB 3.22Å; W1085-C1088 PolarHBondContact O-N 3.47Å; C1088-G1092 PolarHBondContact O-N 3.4Å; C1088-G1092 VanDerWaalsContact O-N 3.09Å
1089	L	93.2	Very high	91.8	Very high	44 Å²	44	55 Å²	55	23%	0.23	28%	0.28	C	S	.	.	H	α-helix	trans	-68.5	-36.4	177.3	-71.2	169.4	0	0	0	112.4	M1025 F1029 F1061 W1085 L1086 W1087 G1092 I1093	M1025-L1089 HydrophobicContact SD-CD2 3.8Å; F1029-L1089 HydrophobicContact CE2-CD2 4.42Å; F1061-L1089 HydrophobicContact CE2-CD2 3.9Å; F1061-L1089 HydrophobicContact CZ-CD2 4.19Å; W1085-L1089 WeakPolarHBondContact O-CG 3.25Å; W1085-L1089 PolarHBondContact O-N 3.28Å; L1086-L1089 PolarHBondContact O-N 3.2Å; W1087-L1089 VanDerWaalsContact C-N 3.3Å; W1087-L1089 PolarHBondContact O-N 3.19Å; L1089-G1092 PolarHBondContact O-N 2.99Å; L1089-I1093 WeakPolarHBondContact O-CG1 3.43Å; L1089-I1093 PolarHBondContact O-N 3.42Å
1090	F	94.4	Very high	91.7	Very high	127 Å²	127	54.7 Å²	54.7	56%	0.557	27%	0.273	S	S	*	.	H	α-helix	trans	-61.4	-47.2	176	174.5	-99.8	0	0	0	111.9	L1086 W1087 G1092 I1093 G1094	L1086-F1090 WeakPolarHBondContact O-CB 3.26Å; L1086-F1090 PolarHBondContact O-N 3.1Å; W1087-F1090 HydrophobicContact CE3-CD1 4.15Å; W1087-F1090 HydrophobicContact CZ3-CD1 4.17Å; W1087-F1090 HydrophobicContact CZ3-CE1 4.4Å; W1087-F1090 WeakPolarHBondContact O-CB 3.45Å; W1087-F1090 PolarHBondContact O-N 2.76Å; F1090-G1092 VanDerWaalsContact C-N 3.33Å; F1090-G1092 PolarHBondContact O-N 2.95Å; F1090-I1093 PolarHBondContact O-N 3.25Å; F1090-G1094 PolarHBondContact O-N 2.94Å
1091	F	93.7	Very high	91.7	Very high	16 Å²	16	57.4 Å²	57.4	7%	0.07	29%	0.29	C	S	.	.	H	α-helix	trans	-64.8	-37	174	-61.6	-56.8	0	0	0	112.3	Y980 V984 L988 L995 M1026 W1087 G1094 T1095	Y980-F1091 PolarHBondContact OH-O 3.37Å; V984-F1091 HydrophobicContact CG1-CB 3.96Å; V984-F1091 HydrophobicContact CG1-CD1 3.69Å; V984-F1091 HydrophobicContact CG1-CD2 4.16Å; V984-F1091 HydrophobicContact CG1-CE1 4.23Å; V984-F1091 HydrophobicContact CG1-CG 3.66Å; V984-F1091 HydrophobicContact CG2-CD1 4.04Å; L988-F1091 HydrophobicContact CD1-CD2 4.36Å; L988-F1091 HydrophobicContact CD1-CE2 4.31Å; L988-F1091 HydrophobicContact CD2-CE2 3.94Å; L988-F1091 HydrophobicContact CD2-CZ 4.34Å; L988-F1091 HydrophobicContact CG-CE2 4.44Å; L995-F1091 HydrophobicContact CD2-CZ 4.45Å; M1026-F1091 HydrophobicContact CG-CB 4.31Å; M1026-F1091 HydrophobicContact SD-CB 4.29Å; W1087-F1091 HydrophobicContact CB-CE2 4.37Å; W1087-F1091 HydrophobicContact CE3-CE2 4.45Å; W1087-F1091 HydrophobicContact CE3-CZ 4.3Å; W1087-F1091 WeakPolarHBondContact O-CD2 3.36Å; W1087-F1091 PolarHBondContact O-N 3.38Å; W1087-F1091 VanDerWaalsContact O-N 3.13Å; F1091-G1094 PolarHBondContact O-N 2.86Å; F1091-T1095 PolarHBondContact O-N 2.85Å; F1091-T1095 PolarHBondContact O-OG1 3.5Å; F1091-T1095 VanDerWaalsContact O-OG1 3.13Å
1092	G	93.1	Very high	91.7	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-55.4	-58.2	170.6	0	0	0	0	0	112.7	F1029 C1088 L1089 F1090 G1094 T1095	F1029-G1092 WeakPolarHBondContact CB-O 3.43Å; F1029-G1092 WeakPolarHBondContact CG-O 3.37Å; C1088-G1092 PolarHBondContact O-N 3.4Å; C1088-G1092 VanDerWaalsContact O-N 3.09Å; L1089-G1092 PolarHBondContact O-N 2.99Å; F1090-G1092 VanDerWaalsContact C-N 3.33Å; F1090-G1092 PolarHBondContact O-N 2.95Å; G1092-G1094 VanDerWaalsContact C-N 3.29Å; G1092-G1094 PolarHBondContact O-N 3.29Å; G1092-T1095 WeakPolarHBondContact O-CB 3.28Å; G1092-T1095 PolarHBondContact O-N 2.89Å; G1092-T1095 PolarHBondContact O-OG1 2.94Å
1093	I	94.6	Very high	91.4	Very high	84 Å²	84	50.2 Å²	50.2	43%	0.431	24%	0.244	S	C	.	.	H	α-helix	trans	-62.9	-35.2	179.7	-66.7	165.4	0	0	0	111.4	F1029 L1089 F1090 T1095 L1096 L1097	F1029-I1093 HydrophobicContact CE1-CG1 4.15Å; F1029-I1093 HydrophobicContact CE2-CG1 4.26Å; F1029-I1093 HydrophobicContact CZ-CG1 3.88Å; L1089-I1093 WeakPolarHBondContact O-CG1 3.43Å; L1089-I1093 PolarHBondContact O-N 3.42Å; F1090-I1093 PolarHBondContact O-N 3.25Å; I1093-T1095 PolarHBondContact O-N 3.26Å; I1093-L1096 WeakPolarHBondContact O-CB 3.2Å; I1093-L1096 PolarHBondContact O-N 2.88Å; I1093-L1097 PolarHBondContact O-N 3.05Å
1094	G	94.2	Very high	91.1	Very high	14 Å²	14	47.3 Å²	47.3	14%	0.144	24%	0.238	C	C	.	.	H	α-helix	trans	-56.3	-30.2	173.5	0	0	0	0	0	113.5	Y980 F1090 F1091 G1092 L1096 L1097 W1098	Y980-G1094 WeakPolarHBondContact OH-CA 3.4Å; F1090-G1094 PolarHBondContact O-N 2.94Å; F1091-G1094 PolarHBondContact O-N 2.86Å; G1092-G1094 VanDerWaalsContact C-N 3.29Å; G1092-G1094 PolarHBondContact O-N 3.29Å; G1094-L1096 VanDerWaalsContact C-N 3.32Å; G1094-L1096 PolarHBondContact O-N 2.73Å; G1094-L1097 PolarHBondContact O-N 3.05Å; G1094-W1098 VanDerWaalsContact O-CB 3.32Å; G1094-W1098 WeakPolarHBondContact O-CB 3.44Å; G1094-W1098 PolarHBondContact O-N 2.67Å
1095	T	93.5	Very high	90.7	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-64.7	-32.5	174.4	-51.4	0	0	0	0	112.4	Q977 Y980 M1026 N1030 N1033 F1091 G1092 I1093 G1099	Q977-T1095 PolarHBondContact NE2-O 3.33Å; Y980-T1095 WeakPolarHBondContact CE1-OG1 3.34Å; M1026-T1095 WeakPolarHBondContact CG-OG1 3.25Å; N1030-T1095 HydrophobicContact CB-CG2 3.97Å; N1033-T1095 PolarHBondContact ND2-O 3.03Å; F1091-T1095 PolarHBondContact O-N 2.85Å; F1091-T1095 PolarHBondContact O-OG1 3.5Å; F1091-T1095 VanDerWaalsContact O-OG1 3.13Å; G1092-T1095 WeakPolarHBondContact O-CB 3.28Å; G1092-T1095 PolarHBondContact O-N 2.89Å; G1092-T1095 PolarHBondContact O-OG1 2.94Å; I1093-T1095 PolarHBondContact O-N 3.26Å; T1095-G1099 PolarHBondContact O-N 3.33Å
1096	L	91.4	Very high	89.7	Confident	23 Å²	23	49.7 Å²	49.7	12%	0.12	25%	0.254	C	S	.	.	H	α-helix	trans	-69.9	-45.6	174.1	-59.9	-179.2	0	0	0	111.5	F1029 I1032 N1033 F1044 I1093 G1094 G1099 Q1100	F1029-L1096 HydrophobicContact CB-CD2 4.17Å; F1029-L1096 HydrophobicContact CB-CG 4.22Å; F1029-L1096 HydrophobicContact CD1-CD1 3.8Å; F1029-L1096 HydrophobicContact CD1-CD2 4.28Å; F1029-L1096 HydrophobicContact CD1-CG 4Å; F1029-L1096 HydrophobicContact CE1-CD1 4.31Å; F1029-L1096 HydrophobicContact CG-CG 4.48Å; F1029-L1096 VanDerWaalsContact O-CD2 3.25Å; F1029-L1096 WeakPolarHBondContact O-CD2 3.39Å; I1032-L1096 HydrophobicContact CB-CD2 4.25Å; I1032-L1096 HydrophobicContact CG2-CD2 4.34Å; N1033-L1096 WeakPolarHBondContact OD1-CD2 3.35Å; F1044-L1096 HydrophobicContact CZ-CD1 4.34Å; I1093-L1096 WeakPolarHBondContact O-CB 3.2Å; I1093-L1096 PolarHBondContact O-N 2.88Å; G1094-L1096 VanDerWaalsContact C-N 3.32Å; G1094-L1096 PolarHBondContact O-N 2.73Å; L1096-G1099 PolarHBondContact O-N 2.92Å; L1096-Q1100 PolarHBondContact O-N 3.02Å
1097	L	91.5	Very high	88.6	Confident	119 Å²	119	47.1 Å²	47.1	62%	0.623	24%	0.243	S	C	*	.	H	α-helix	trans	-64.5	-44.2	178.9	-63.1	177.4	0	0	0	111	I1093 G1094 G1099 Q1100 V1101	I1093-L1097 PolarHBondContact O-N 3.05Å; G1094-L1097 PolarHBondContact O-N 3.05Å; L1097-G1099 VanDerWaalsContact C-N 3.26Å; L1097-G1099 PolarHBondContact O-N 2.78Å; L1097-Q1100 WeakPolarHBondContact O-CB 3.31Å; L1097-Q1100 PolarHBondContact O-N 3.28Å; L1097-Q1100 VanDerWaalsContact O-N 3.12Å; L1097-V1101 PolarHBondContact O-N 2.91Å
1098	W	92.6	Very high	87.5	Confident	92 Å²	92	51 Å²	51	35%	0.348	26%	0.258	S	S	.	.	H	α-helix	trans	-61.9	-34.4	174	-169.6	-107.6	0	0	0	112.3	G976 Y980 G1094 Q1100 V1101 I1102	G976-W1098 PolarHBondContact O-NE1 3.34Å; Y980-W1098 VanDerWaalsContact CB-CD1 3.41Å; Y980-W1098 HydrophobicContact CD2-CB 4.01Å; Y980-W1098 AromaticContact CD2-CD2 3.99Å; Y980-W1098 HydrophobicContact CD2-CD2 3.99Å; Y980-W1098 HydrophobicContact CD2-CE3 4.47Å; Y980-W1098 AromaticContact CD2-CG 3.76Å; Y980-W1098 HydrophobicContact CD2-CG 3.76Å; Y980-W1098 HydrophobicContact CE2-CB 4.38Å; Y980-W1098 HydrophobicContact CG-CB 4.28Å; Y980-W1098 AromaticContact CG-CD1 3.86Å; Y980-W1098 AromaticContact CG-CG 3.98Å; Y980-W1098 HydrophobicContact CG-CG 3.98Å; G1094-W1098 VanDerWaalsContact O-CB 3.32Å; G1094-W1098 WeakPolarHBondContact O-CB 3.44Å; G1094-W1098 PolarHBondContact O-N 2.67Å; W1098-Q1100 VanDerWaalsContact C-N 3.33Å; W1098-Q1100 PolarHBondContact O-N 2.74Å; W1098-V1101 HydrophobicContact CE3-CB 4.48Å; W1098-V1101 WeakPolarHBondContact O-CB 3.32Å; W1098-V1101 PolarHBondContact O-N 3.28Å; W1098-V1101 VanDerWaalsContact O-N 3.13Å; W1098-I1102 VanDerWaalsContact CD1-CD1 3.42Å; W1098-I1102 HydrophobicContact CG-CD1 4.36Å; W1098-I1102 WeakPolarHBondContact O-CG1 3.35Å; W1098-I1102 PolarHBondContact O-N 3.33Å
1099	G	88.8	Confident	86	Confident	5 Å²	5	56.1 Å²	56.1	5%	0.052	28%	0.284	C	S	.	.	H	α-helix	trans	-55.1	-43.4	170.6	0	0	0	0	0	113.5	Q977 T1095 L1096 L1097 V1101 I1102 I1103	Q977-G1099 VanDerWaalsContact NE2-CA 3.33Å; T1095-G1099 PolarHBondContact O-N 3.33Å; L1096-G1099 PolarHBondContact O-N 2.92Å; L1097-G1099 VanDerWaalsContact C-N 3.26Å; L1097-G1099 PolarHBondContact O-N 2.78Å; G1099-V1101 VanDerWaalsContact C-N 3.35Å; G1099-I1102 PolarHBondContact O-N 3.29Å; G1099-I1103 VanDerWaalsContact O-CG1 3.31Å; G1099-I1103 WeakPolarHBondContact O-CG1 3.45Å; G1099-I1103 PolarHBondContact O-N 3.47Å
1100	Q	88.7	Confident	84.3	Confident	60 Å²	60	56.8 Å²	56.8	28%	0.28	29%	0.287	S	S	.	.	H	α-helix	trans	-67.6	-34	176.4	-64	-65.4	-21.3	0	0	112.8	R1041 L1096 L1097 W1098 S1104	R1041-Q1100 PolarHBondContact O-NE2 2.89Å; L1096-Q1100 PolarHBondContact O-N 3.02Å; L1097-Q1100 WeakPolarHBondContact O-CB 3.31Å; L1097-Q1100 PolarHBondContact O-N 3.28Å; L1097-Q1100 VanDerWaalsContact O-N 3.12Å; W1098-Q1100 VanDerWaalsContact C-N 3.33Å; W1098-Q1100 PolarHBondContact O-N 2.74Å; Q1100-S1104 WeakPolarHBondContact O-CB 3.3Å; Q1100-S1104 PolarHBondContact O-N 3.29Å; Q1100-S1104 VanDerWaalsContact O-N 3.12Å; Q1100-S1104 PolarHBondContact O-OG 3.24Å
1101	V	89	Confident	82.1	Confident	67 Å²	67	55.7 Å²	55.7	41%	0.406	29%	0.293	S	S	.	.	H	α-helix	trans	-64.3	-49.5	172.1	-179.8	0	0	0	0	109.9	L1097 W1098 G1099 I1103 S1104 I1105	L1097-V1101 PolarHBondContact O-N 2.91Å; W1098-V1101 HydrophobicContact CE3-CB 4.48Å; W1098-V1101 WeakPolarHBondContact O-CB 3.32Å; W1098-V1101 PolarHBondContact O-N 3.28Å; W1098-V1101 VanDerWaalsContact O-N 3.13Å; G1099-V1101 VanDerWaalsContact C-N 3.35Å; V1101-I1103 VanDerWaalsContact C-N 3.33Å; V1101-I1103 PolarHBondContact O-N 2.87Å; V1101-S1104 CarbonylContact O-C 3.43Å; V1101-S1104 WeakPolarHBondContact O-CA 3.48Å; V1101-S1104 WeakPolarHBondContact O-CB 3.41Å; V1101-S1104 PolarHBondContact O-N 2.86Å; V1101-I1105 HydrophobicContact CG1-CD1 4.24Å; V1101-I1105 WeakPolarHBondContact O-CG1 3.34Å; V1101-I1105 PolarHBondContact O-N 3.42Å
1102	I	87.8	Confident	79.9	Confident	5 Å²	5	60.2 Å²	60.2	3%	0.026	31%	0.312	C	S	.	.	H	α-helix	trans	-59.8	-41.2	177.9	-60.9	158.5	0	0	0	111.7	K972 Q977 W1098 G1099 S1104 I1105	K972-I1102 HydrophobicContact CD-CG2 4.32Å; K972-I1102 VanDerWaalsContact CE-O 3.29Å; K972-I1102 WeakPolarHBondContact CE-O 3.49Å; K972-I1102 HydrophobicContact CG-CG2 3.98Å; K972-I1102 PolarHBondContact NZ-O 2.99Å; Q977-I1102 HydrophobicContact CG-CD1 3.76Å; W1098-I1102 VanDerWaalsContact CD1-CD1 3.42Å; W1098-I1102 HydrophobicContact CG-CD1 4.36Å; W1098-I1102 WeakPolarHBondContact O-CG1 3.35Å; W1098-I1102 PolarHBondContact O-N 3.33Å; G1099-I1102 PolarHBondContact O-N 3.29Å; I1102-S1104 VanDerWaalsContact C-N 3.25Å; I1102-S1104 PolarHBondContact O-N 3.45Å; I1102-I1105 PolarHBondContact O-N 2.83Å
1103	I	84.4	Confident	77.4	Confident	34 Å²	34	70.8 Å²	70.8	17%	0.174	35%	0.352	C	S	.	.	H	α-helix	trans	-58.1	-42.6	175	-71.9	166.1	0	0	0	110.4	K972 G1039 R1041 G1099 V1101 I1105	K972-I1103 PolarHBondContact NZ-O 3.49Å; G1039-I1103 WeakPolarHBondContact O-CG2 3.45Å; R1041-I1103 HydrophobicContact CG-CG2 3.93Å; G1099-I1103 VanDerWaalsContact O-CG1 3.31Å; G1099-I1103 WeakPolarHBondContact O-CG1 3.45Å; G1099-I1103 PolarHBondContact O-N 3.47Å; V1101-I1103 VanDerWaalsContact C-N 3.33Å; V1101-I1103 PolarHBondContact O-N 2.87Å; I1103-I1105 VanDerWaalsContact C-N 3.34Å; I1103-I1105 PolarHBondContact O-N 2.85Å
1104	S	83.5	Confident	74.6	Confident	67 Å²	67	78.3 Å²	78.3	47%	0.469	38%	0.375	S	S	.	.	H	α-helix	trans	-75.7	-15.4	-179.5	-53.5	0	0	0	0	114.6	Q1100 V1101 I1102 P1106	Q1100-S1104 WeakPolarHBondContact O-CB 3.3Å; Q1100-S1104 PolarHBondContact O-N 3.29Å; Q1100-S1104 VanDerWaalsContact O-N 3.12Å; Q1100-S1104 PolarHBondContact O-OG 3.24Å; V1101-S1104 CarbonylContact O-C 3.43Å; V1101-S1104 WeakPolarHBondContact O-CA 3.48Å; V1101-S1104 WeakPolarHBondContact O-CB 3.41Å; V1101-S1104 PolarHBondContact O-N 2.86Å; I1102-S1104 VanDerWaalsContact C-N 3.25Å; I1102-S1104 PolarHBondContact O-N 3.45Å; S1104-P1106 WeakPolarHBondContact O-CD 3.34Å
1105	I	81.2	Confident	71.6	Confident	60 Å²	60	85.5 Å²	85.5	31%	0.308	40%	0.398	S	S	.	.	S	Bend	trans	-75.2	119.5	171.3	-70.1	170.6	0	0	0	109	K972 V1101 I1102 I1103 I1109	K972-I1105 HydrophobicContact CD-CG2 4.48Å; K972-I1105 VanDerWaalsContact CD-O 3.3Å; K972-I1105 WeakPolarHBondContact CD-O 3.38Å; K972-I1105 PolarHBondContact NZ-O 3.05Å; V1101-I1105 HydrophobicContact CG1-CD1 4.24Å; V1101-I1105 WeakPolarHBondContact O-CG1 3.34Å; V1101-I1105 PolarHBondContact O-N 3.42Å; I1102-I1105 PolarHBondContact O-N 2.83Å; I1103-I1105 VanDerWaalsContact C-N 3.34Å; I1103-I1105 PolarHBondContact O-N 2.85Å; I1105-I1109 HydrophobicContact CG2-CD1 3.71Å
1106	P	72.1	Confident	68.5	Low	35 Å²	35	96.8 Å²	96.8	23%	0.227	44%	0.441	C	S	.	.			trans	-76.3	160	-177.6	30.8	-34.8	0	0	0	112.6	S1104 W1108 I1109	S1104-P1106 WeakPolarHBondContact O-CD 3.34Å; P1106-W1108 VanDerWaalsContact C-N 3.34Å; P1106-W1108 HydrophobicContact CB-CD2 4.03Å; P1106-W1108 HydrophobicContact CB-CE3 3.57Å; P1106-W1108 HydrophobicContact CB-CH2 3.82Å; P1106-W1108 HydrophobicContact CB-CZ2 4.24Å; P1106-W1108 HydrophobicContact CB-CZ3 3.45Å; P1106-W1108 VanDerWaalsContact CB-CZ3 3.45Å; P1106-W1108 HydrophobicContact CG-CD2 3.84Å; P1106-W1108 HydrophobicContact CG-CE3 3.79Å; P1106-W1108 HydrophobicContact CG-CH2 3.33Å; P1106-W1108 HydrophobicContact CG-CZ2 3.38Å; P1106-W1108 HydrophobicContact CG-CZ3 3.54Å; P1106-W1108 PolarHBondContact O-N 3.26Å; P1106-I1109 HydrophobicContact CG-CD1 4.38Å
1107	V	70.3	Confident	65.6	Low	52 Å²	52	102.9 Å²	102.9	32%	0.315	47%	0.472	S	S	.	.	G	3₁₀ helix	trans	-70.8	-26.6	-164.2	-164.5	0	0	0	0	113.3	R968 N969 I1109 I1110	R968-V1107 HydrophobicContact CB-CG1 4.07Å; N969-V1107 WeakPolarHBondContact OD1-CG2 3.24Å; V1107-I1109 PolarHBondContact O-N 3.35Å; V1107-I1110 PolarHBondContact O-N 3.48Å
1108	W	66.5	Low	62.8	Low	167 Å²	167	103.5 Å²	103.5	63%	0.633	48%	0.481	S	S	*	.	G	3₁₀ helix	trans	-60.3	-17.7	-174.8	70.7	70.8	0	0	0	114.7	P1106 I1110	P1106-W1108 VanDerWaalsContact C-N 3.34Å; P1106-W1108 HydrophobicContact CB-CD2 4.03Å; P1106-W1108 HydrophobicContact CB-CE3 3.57Å; P1106-W1108 HydrophobicContact CB-CH2 3.82Å; P1106-W1108 HydrophobicContact CB-CZ2 4.24Å; P1106-W1108 HydrophobicContact CB-CZ3 3.45Å; P1106-W1108 VanDerWaalsContact CB-CZ3 3.45Å; P1106-W1108 HydrophobicContact CG-CD2 3.84Å; P1106-W1108 HydrophobicContact CG-CE3 3.79Å; P1106-W1108 HydrophobicContact CG-CH2 3.33Å; P1106-W1108 HydrophobicContact CG-CZ2 3.38Å; P1106-W1108 HydrophobicContact CG-CZ3 3.54Å; P1106-W1108 PolarHBondContact O-N 3.26Å; W1108-I1110 PolarHBondContact O-N 3.09Å
1109	I	60.7	Low	59.7	Low	107 Å²	107	108.5 Å²	108.5	55%	0.549	51%	0.505	S	S	.	.	G	3₁₀ helix	trans	-68.6	-19.8	176.3	-70.3	160.1	0	0	0	111.6	I1105 P1106 V1107 P1111	I1105-I1109 HydrophobicContact CG2-CD1 3.71Å; P1106-I1109 HydrophobicContact CG-CD1 4.38Å; V1107-I1109 PolarHBondContact O-N 3.35Å; I1109-P1111 WeakPolarHBondContact O-CD 3.42Å
1110	I	57.9	Low	56.9	Low	58 Å²	58	113.8 Å²	113.8	30%	0.297	54%	0.541	S	S	.	.	S	Bend	trans	-88.6	110	168.1	-57.4	177.5	0	0	0	107.9	K972 V1107 W1108 K1112	K972-I1110 HydrophobicContact CB-CD1 3.78Å; K972-I1110 HydrophobicContact CG-CD1 4.31Å; V1107-I1110 PolarHBondContact O-N 3.48Å; W1108-I1110 PolarHBondContact O-N 3.09Å; I1110-K1112 PolarHBondContact O-N 3.3Å
1111	P	49.4	Very low	54.1	Low	104 Å²	104	122.3 Å²	122.3	68%	0.675	57%	0.571	S	S	*	*			trans	-68.1	121.4	-168.9	25	-34.2	0	0	0	112.9	I1109 R1113	I1109-P1111 WeakPolarHBondContact O-CD 3.42Å; P1111-R1113 PolarHBondContact O-N 3.44Å
1112	K	47.1	Very low	51.1	Low	111 Å²	111	129.5 Å²	129.5	48%	0.483	59%	0.59	S	S	.	*			trans	-56.2	98.5	166.2	-69.7	-176.3	179.8	177.6	0	108.5	I1110 R1114 E1190 E1194	I1110-K1112 PolarHBondContact O-N 3.3Å; K1112-R1114 PolarHBondContact O-N 3.33Å; K1112-E1190 IonicContact NZ-OE2 3.99Å; K1112-E1194 WeakPolarHBondContact CE-OE1 3.46Å; K1112-E1194 IonicContact NZ-OE1 2.74Å; K1112-E1194 PolarHBondContact NZ-OE1 3.13Å; K1112-E1194 IonicContact NZ-OE2 2.95Å; K1112-E1194 PolarHBondContact NZ-OE2 3.2Å
1113	R	40.6	Very low	48.2	Very low	223 Å²	223	137.9 Å²	137.9	84%	0.842	63%	0.634	S	S	*	*			trans	-80.6	76.2	-164.1	-165.9	-176.1	-172.4	-179	5.3	112.7	P1111 R1115	P1111-R1113 PolarHBondContact O-N 3.44Å; R1113-R1115 PolarHBondContact O-N 2.87Å
1114	R	36	Very low	45.5	Very low	241 Å²	241	140.4 Å²	140.4	91%	0.909	65%	0.652	S	S	*	*			trans	-41	106.4	171.3	-78	-175	168.7	179.3	-2.7	111.6	K1112	K1112-R1114 PolarHBondContact O-N 3.33Å
1115	R	30.5	Very low	42.9	Very low	165 Å²	165	145.6 Å²	145.6	62%	0.623	67%	0.673	S	S	*	*			trans	-79.1	124.6	167	-85.7	-173.2	174.7	147.7	6.9	108.1	R1113 I1117 G1175 T1179	R1113-R1115 PolarHBondContact O-N 2.87Å; R1115-I1117 PolarHBondContact O-N 3.25Å; R1115-I1117 VanDerWaalsContact O-N 3.14Å; R1115-G1175 PolarHBondContact NH2-O 3.4Å; R1115-T1179 PolarHBondContact NH1-OG1 3.3Å
1116	R	29.2	Very low	40.5	Very low	237 Å²	237	148.5 Å²	148.5	89%	0.894	69%	0.688	S	S	*	*			trans	-55.9	119.9	166.2	-76.4	-180	171	175.1	-3.4	108.5	T1118	R1116-T1118 PolarHBondContact O-N 2.89Å
1117	I	31	Very low	38.4	Very low	152 Å²	152	151.7 Å²	151.7	78%	0.779	72%	0.717	S	S	*	*			trans	-64.9	103	168.9	-60.7	175.7	0	0	0	107.4	R1115 K1119	R1115-I1117 PolarHBondContact O-N 3.25Å; R1115-I1117 VanDerWaalsContact O-N 3.14Å; I1117-K1119 PolarHBondContact O-N 3.04Å; I1117-K1119 VanDerWaalsContact O-N 3.12Å
1118	T	32.1	Very low	36.5	Very low	131 Å²	131	155.5 Å²	155.5	80%	0.804	74%	0.741	S	S	*	*			trans	-66.9	109.8	168.9	-43.2	0	0	0	0	107.2	R1116 S1120	R1116-T1118 PolarHBondContact O-N 2.89Å; T1118-S1120 VanDerWaalsContact C-N 3.34Å; T1118-S1120 PolarHBondContact O-N 3.5Å
1119	K	26.2	Very low	34.7	Very low	198 Å²	198	155.7 Å²	155.7	86%	0.861	75%	0.749	S	S	*	*			trans	-61.2	91.7	179.3	-74.1	-176.5	176.4	177.9	0	110.6	I1117	I1117-K1119 PolarHBondContact O-N 3.04Å; I1117-K1119 VanDerWaalsContact O-N 3.12Å
1120	S	31	Very low	33.2	Very low	115 Å²	115	157.3 Å²	157.3	80%	0.804	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-61.9	146.6	157.4	-164	0	0	0	0	108.3	T1118 R1122	T1118-S1120 VanDerWaalsContact C-N 3.34Å; T1118-S1120 PolarHBondContact O-N 3.5Å; S1120-R1122 PolarHBondContact O-N 3.45Å
1121	R	29	Very low	32	Very low	240 Å²	240	160.6 Å²	160.6	91%	0.906	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-57.2	134	-173.2	-86.1	173.1	155.7	168.5	-9.6	110.9	L1123	R1121-L1123 PolarHBondContact O-N 2.87Å
1122	R	26.4	Very low	31.1	Very low	218 Å²	218	163.9 Å²	163.9	82%	0.823	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-53.4	125.6	160.1	-76.7	179.8	170	170.4	-6	108.3	S1120	S1120-R1122 PolarHBondContact O-N 3.45Å
1123	L	26.7	Very low	30.2	Very low	180 Å²	180	162 Å²	162	94%	0.942	80%	0.804	S	S	*	*			trans	-90.8	101.1	146	-145.6	78.7	0	0	0	105.2	R1121 L1125	R1121-L1123 PolarHBondContact O-N 2.87Å; L1123-L1125 PolarHBondContact O-N 3.19Å; L1123-L1125 VanDerWaalsContact O-N 3.1Å
1124	T	28.6	Very low	29.8	Very low	88 Å²	88	157.5 Å²	157.5	54%	0.54	80%	0.801	S	S	.	*			trans	-81.1	95.6	-169.5	-39.1	0	0	0	0	110.2	I1126	T1124-I1126 VanDerWaalsContact C-N 3.3Å; T1124-I1126 HydrophobicContact CG2-CD1 4.36Å; T1124-I1126 HydrophobicContact CG2-CG1 3.51Å; T1124-I1126 PolarHBondContact O-N 3.38Å
1125	L	28.3	Very low	29.4	Very low	176 Å²	176	154 Å²	154	92%	0.921	80%	0.795	S	S	*	*			trans	-69.9	94.4	155.8	-96.8	162.5	0	0	0	107.4	L1123 A1127	L1123-L1125 PolarHBondContact O-N 3.19Å; L1123-L1125 VanDerWaalsContact O-N 3.1Å; L1125-A1127 PolarHBondContact O-N 3.31Å
1126	I	30.6	Very low	29.5	Very low	121 Å²	121	151.8 Å²	151.8	62%	0.621	80%	0.8	S	S	*	*			trans	-74.1	121.1	175.1	-62.9	177.6	0	0	0	107.5	T1124 T1128	T1124-I1126 VanDerWaalsContact C-N 3.3Å; T1124-I1126 HydrophobicContact CG2-CD1 4.36Å; T1124-I1126 HydrophobicContact CG2-CG1 3.51Å; T1124-I1126 PolarHBondContact O-N 3.38Å; I1126-T1128 HydrophobicContact CG2-CG2 4.08Å; I1126-T1128 PolarHBondContact O-N 2.88Å
1127	A	28	Very low	29.4	Very low	101 Å²	101	148.3 Å²	148.3	84%	0.835	80%	0.799	S	S	*	*			trans	-70.3	108.4	163.7	0	0	0	0	0	108.4	L1125	L1125-A1127 PolarHBondContact O-N 3.31Å
1128	T	30.7	Very low	29.5	Very low	133 Å²	133	144.6 Å²	144.6	82%	0.816	80%	0.799	S	S	*	*			trans	-94.3	110.1	170.2	50.7	0	0	0	0	108.9	I1126	I1126-T1128 HydrophobicContact CG2-CG2 4.08Å; I1126-T1128 PolarHBondContact O-N 2.88Å
1129	Q	28.4	Very low	29.5	Very low	171 Å²	171	146.1 Å²	146.1	80%	0.799	80%	0.801	S	S	*	*			trans	-120.9	147.5	167.1	-161.5	167.2	-19	0	0	108.2
1130	D	29.5	Very low	29.6	Very low	140 Å²	140	142.5 Å²	142.5	75%	0.749	80%	0.795	S	S	*	*			trans	76	151	175.5	-52.3	-32.1	0	0	0	119.6
1131	V	32.6	Very low	29.7	Very low	127 Å²	127	143.9 Å²	143.9	77%	0.77	80%	0.799	S	S	*	*			trans	73.4	85	168.4	-161	0	0	0	0	118.8
1132	L	29.7	Very low	29.7	Very low	174 Å²	174	140.7 Å²	140.7	91%	0.911	79%	0.794	S	S	*	*				37.4	116.9	125.9	-65.5	159.2	0	0	0	120.2
1133	G	29.8	Very low	30	Very low	72 Å²	72	137.8 Å²	137.8	74%	0.742	80%	0.795	S	S	*	*			trans	146.6	112.4	140.3	0	0	0	0	0	119.4
1134	V	31.3	Very low	30.1	Very low	128 Å²	128	134.1 Å²	134.1	78%	0.776	79%	0.785	S	S	*	*			trans	55.3	95.5	136.4	-170.1	0	0	0	0	120.2
1135	E	27.8	Very low	30.3	Very low	168 Å²	168	136.5 Å²	136.5	79%	0.785	80%	0.798	S	S	*	*				60.3	146.7	124.5	-61.7	-179	129	0	0	125.4
1136	T	32.5	Very low	30.5	Very low	117 Å²	117	136.8 Å²	136.8	72%	0.718	80%	0.795	S	S	*	*			trans	74.5	107.1	152.9	45.4	0	0	0	0	122.7
1137	D	28.1	Very low	30.8	Very low	164 Å²	164	136.2 Å²	136.2	88%	0.877	80%	0.799	S	S	*	*				45.5	137	119.7	-53.2	-17.2	0	0	0	122.9
1138	G	31.8	Very low	31	Very low	75 Å²	75	139.7 Å²	139.7	77%	0.773	80%	0.798	S	S	*	*			trans	167.7	72.8	164.5	0	0	0	0	0	120
1139	L	31.6	Very low	31.2	Very low	163 Å²	163	141 Å²	141	85%	0.853	80%	0.799	S	S	*	*			trans	12.8	120.6	150.6	-73.5	143	0	0	0	122.5
1140	V	29.6	Very low	31.4	Very low	122 Å²	122	136.9 Å²	136.9	74%	0.739	79%	0.794	S	S	*	*				34.4	126.6	118.6	-177.4	0	0	0	0	120.6
1141	T	31.7	Very low	31.6	Very low	144 Å²	144	138.6 Å²	138.6	88%	0.883	80%	0.803	S	S	*	*				-173	165.4	125.9	17.2	0	0	0	0	113
1142	Q	29.6	Very low	31.4	Very low	172 Å²	172	135.9 Å²	135.9	80%	0.804	80%	0.801	S	S	*	*			trans	-97.8	159.7	176.1	-61.1	159.1	-110.6	0	0	110.6
1143	D	32.2	Very low	31.4	Very low	158 Å²	158	131.1 Å²	131.1	85%	0.845	79%	0.794	S	S	*	*				-177.1	176.5	106.1	-107.7	-29.4	0	0	0	115.9
1144	S	28.9	Very low	31.3	Very low	103 Å²	103	134.4 Å²	134.4	72%	0.72	80%	0.799	S	S	*	*			trans	-91.8	168.9	-166.8	70.5	0	0	0	0	116.5
1145	V	34.1	Very low	31.3	Very low	137 Å²	137	134.2 Å²	134.2	83%	0.83	80%	0.799	S	S	*	*			trans	-174.6	148.4	134.5	139.1	0	0	0	0	112.6
1146	H	32.1	Very low	31.2	Very low	183 Å²	183	135.1 Å²	135.1	85%	0.847	80%	0.802	S	S	*	*			trans	-135.7	150.5	170.9	-119.9	-40.5	0	0	0	108.1
1147	P	37.2	Very low	31.1	Very low	108 Å²	108	141.2 Å²	141.2	70%	0.701	81%	0.812	S	S	*	*				-158.4	143.8	111.9	37	-17.2	0	0	0	119.2
1148	Q	31.5	Very low	31.1	Very low	174 Å²	174	137.7 Å²	137.7	81%	0.813	81%	0.805	S	S	*	*				38.4	161.9	128.5	-59.5	-171.6	-10.8	0	0	126.9
1149	L	34.6	Very low	31	Very low	162 Å²	162	139.8 Å²	139.8	85%	0.848	81%	0.809	S	S	*	*			trans	84.9	149.6	165	-68.3	108.2	0	0	0	119.6
1150	A	32.6	Very low	31.1	Very low	84 Å²	84	138.1 Å²	138.1	69%	0.694	81%	0.805	S	S	*	*			cis	-170.6	164.7	-32	0	0	0	0	0	110.1
1151	D	34.1	Very low	31.5	Very low	175 Å²	175	134.6 Å²	134.6	94%	0.936	79%	0.793	S	S	*	*			trans	80.6	152.2	-176.1	-89.2	-25.6	0	0	0	117.7
1152	G	29.4	Very low	31.7	Very low	70 Å²	70	135.3 Å²	135.3	72%	0.722	79%	0.785	S	S	*	*			cis	156.9	88.4	-2.7	0	0	0	0	0	112.3
1153	G	28.4	Very low	32.1	Very low	75 Å²	75	132.6 Å²	132.6	77%	0.773	78%	0.78	S	S	*	*			trans	178.9	107.6	-179	0	0	0	0	0	116
1154	V	27.8	Very low	32.3	Very low	140 Å²	140	128.5 Å²	128.5	85%	0.848	76%	0.763	S	S	*	*			trans	-91	120.4	170.7	176.5	0	0	0	0	109.4
1155	V	30.8	Very low	32.8	Very low	125 Å²	125	131.1 Å²	131.1	76%	0.758	76%	0.762	S	S	*	*			trans	-133.7	113.4	173.6	-179.7	0	0	0	0	110.1	R1157	V1155-R1157 PolarHBondContact O-N 3.35Å
1156	H	27.1	Very low	33.1	Very low	187 Å²	187	125.8 Å²	125.8	87%	0.866	73%	0.732	S	S	*	*			trans	-60.2	133.1	165.9	-84.2	-107.9	0	0	0	110.1
1157	R	29.4	Very low	33.5	Very low	245 Å²	245	119.9 Å²	119.9	93%	0.925	72%	0.715	S	S	*	*			trans	-137.7	135.4	162.7	-142.3	169.7	-170.8	168.4	3.8	111.6	V1155	V1155-R1157 PolarHBondContact O-N 3.35Å
1158	A	28.9	Very low	33.6	Very low	89 Å²	89	118.7 Å²	118.7	74%	0.736	70%	0.703	S	S	*	*			trans	-84.1	174.9	-159.7	0	0	0	0	0	115	T1160	A1158-T1160 PolarHBondContact O-N 3.44Å
1159	S	28.9	Very low	34	Very low	120 Å²	120	112.6 Å²	112.6	84%	0.839	68%	0.682	S	S	*	*			trans	-69.4	101.4	-172	51.4	0	0	0	0	114.8
1160	T	34.3	Very low	34.2	Very low	127 Å²	127	107 Å²	107	78%	0.779	65%	0.654	S	S	*	*			trans	-129.8	22.8	167	54.2	0	0	0	0	113.4	A1158	A1158-T1160 PolarHBondContact O-N 3.44Å
1161	G	38.8	Very low	34.5	Very low	48 Å²	48	106 Å²	106	50%	0.495	65%	0.646	S	S	.	*	H	α-helix	trans	-79.9	-17.9	-168.6	0	0	0	0	0	117.7	K1165	G1161-K1165 WeakPolarHBondContact O-CG 3.19Å
1162	F	35.2	Very low	34.7	Very low	160 Å²	160	105.4 Å²	105.4	70%	0.702	63%	0.63	S	S	*	*	H	α-helix	trans	-81.6	-51.6	-171.3	-161.6	-99.9	0	0	0	112.9	S1164 K1165 A1166	F1162-S1164 VanDerWaalsContact C-N 3.35Å; F1162-S1164 PolarHBondContact O-N 3.31Å; F1162-K1165 PolarHBondContact O-N 3.44Å; F1162-K1165 VanDerWaalsContact O-N 3.09Å; F1162-A1166 PolarHBondContact O-N 3.04Å
1163	V	37.4	Very low	34.9	Very low	115 Å²	115	103 Å²	103	70%	0.697	61%	0.605	S	S	*	*	H	α-helix	trans	-62.2	-39.7	-177.2	-176.4	0	0	0	0	111.8	K1165 A1166 A1167	V1163-K1165 PolarHBondContact O-N 3.33Å; V1163-A1166 PolarHBondContact O-N 3.46Å; V1163-A1167 WeakPolarHBondContact O-CB 3.36Å; V1163-A1167 PolarHBondContact O-N 3.2Å
1164	S	36.3	Very low	35.2	Very low	71 Å²	71	105.4 Å²	105.4	50%	0.497	59%	0.594	S	S	.	*	H	α-helix	trans	-64.5	-37.8	175.1	178.6	0	0	0	0	112.5	F1162 N1168	F1162-S1164 VanDerWaalsContact C-N 3.35Å; F1162-S1164 PolarHBondContact O-N 3.31Å; S1164-N1168 VanDerWaalsContact O-CB 3.3Å; S1164-N1168 WeakPolarHBondContact O-CB 3.25Å; S1164-N1168 PolarHBondContact O-N 2.97Å; S1164-N1168 PolarHBondContact O-ND2 3.23Å
1165	K	40.8	Very low	35.4	Very low	159 Å²	159	99.6 Å²	99.6	69%	0.691	56%	0.563	S	S	*	*	H	α-helix	trans	-67.8	-41.6	173.2	-78.3	179.5	177	-179.8	0	111.7	G1161 F1162 V1163 N1168 A1169	G1161-K1165 WeakPolarHBondContact O-CG 3.19Å; F1162-K1165 PolarHBondContact O-N 3.44Å; F1162-K1165 VanDerWaalsContact O-N 3.09Å; V1163-K1165 PolarHBondContact O-N 3.33Å; K1165-N1168 CarbonylContact O-C 3.58Å; K1165-N1168 PolarHBondContact O-N 3.4Å; K1165-A1169 VanDerWaalsContact O-CB 3.3Å; K1165-A1169 WeakPolarHBondContact O-CB 3.21Å; K1165-A1169 PolarHBondContact O-N 2.98Å
1166	A	40	Very low	35.6	Very low	25 Å²	25	95.6 Å²	95.6	21%	0.207	54%	0.543	C	S	.	.	H	α-helix	trans	-64.3	-47.7	176.5	0	0	0	0	0	112	V404 F1162 V1163 N1168 A1169 V1170	V404-A1166 HydrophobicContact CG1-CB 4.44Å; F1162-A1166 PolarHBondContact O-N 3.04Å; V1163-A1166 PolarHBondContact O-N 3.46Å; A1166-N1168 VanDerWaalsContact C-N 3.35Å; A1166-N1168 PolarHBondContact O-N 2.87Å; A1166-A1169 CarbonylContact O-C 3.54Å; A1166-A1169 WeakPolarHBondContact O-CA 3.46Å; A1166-A1169 WeakPolarHBondContact O-CB 3.29Å; A1166-A1169 PolarHBondContact O-N 3.46Å; A1166-V1170 WeakPolarHBondContact O-CG2 3.47Å; A1166-V1170 PolarHBondContact O-N 3.39Å
1167	A	39.1	Very low	36.1	Very low	58 Å²	58	90.2 Å²	90.2	48%	0.479	52%	0.52	S	S	.	.	H	α-helix	trans	-60.3	-42.6	175.2	0	0	0	0	0	111.9	V1163 A1169 V1170 A1171	V1163-A1167 WeakPolarHBondContact O-CB 3.36Å; V1163-A1167 PolarHBondContact O-N 3.2Å; A1167-A1169 VanDerWaalsContact C-N 3.27Å; A1167-A1169 PolarHBondContact O-N 3.08Å; A1167-V1170 PolarHBondContact O-N 2.92Å; A1167-A1171 VanDerWaalsContact O-CB 3.25Å; A1167-A1171 WeakPolarHBondContact O-CB 3.37Å; A1167-A1171 PolarHBondContact O-N 3.01Å
1168	N	40.2	Very low	36.4	Very low	84 Å²	84	83.8 Å²	83.8	45%	0.449	50%	0.497	S	S	.	.	H	α-helix	trans	-71.2	-16.9	172.6	-80.7	-70.9	0	0	0	113.9	S1164 K1165 A1166 R1172	S1164-N1168 VanDerWaalsContact O-CB 3.3Å; S1164-N1168 WeakPolarHBondContact O-CB 3.25Å; S1164-N1168 PolarHBondContact O-N 2.97Å; S1164-N1168 PolarHBondContact O-ND2 3.23Å; K1165-N1168 CarbonylContact O-C 3.58Å; K1165-N1168 PolarHBondContact O-N 3.4Å; A1166-N1168 VanDerWaalsContact C-N 3.35Å; A1166-N1168 PolarHBondContact O-N 2.87Å; N1168-R1172 VanDerWaalsContact O-CB 3.26Å; N1168-R1172 WeakPolarHBondContact O-CB 3.28Å; N1168-R1172 VanDerWaalsContact O-CG 3.3Å; N1168-R1172 WeakPolarHBondContact O-CG 3.45Å; N1168-R1172 PolarHBondContact O-N 3.36Å; N1168-R1172 PolarHBondContact O-NE 2.7Å
1169	A	40.4	Very low	36.6	Very low	46 Å²	46	83.5 Å²	83.5	38%	0.38	49%	0.486	S	S	.	.	H	α-helix	trans	-83.3	-41	172.4	0	0	0	0	0	110.8	K1165 A1166 A1167 R1172 G1173	K1165-A1169 VanDerWaalsContact O-CB 3.3Å; K1165-A1169 WeakPolarHBondContact O-CB 3.21Å; K1165-A1169 PolarHBondContact O-N 2.98Å; A1166-A1169 CarbonylContact O-C 3.54Å; A1166-A1169 WeakPolarHBondContact O-CA 3.46Å; A1166-A1169 WeakPolarHBondContact O-CB 3.29Å; A1166-A1169 PolarHBondContact O-N 3.46Å; A1167-A1169 VanDerWaalsContact C-N 3.27Å; A1167-A1169 PolarHBondContact O-N 3.08Å; A1169-R1172 CarbonylContact O-C 3.56Å; A1169-R1172 PolarHBondContact O-N 3.01Å; A1169-G1173 PolarHBondContact O-N 3.03Å
1170	V	38.2	Very low	36.9	Very low	44 Å²	44	84.1 Å²	84.1	27%	0.267	48%	0.476	S	S	.	.	H	α-helix	trans	-64.1	-47.3	172	174.2	0	0	0	0	110.7	L401 V404 A1166 A1167 R1172 G1173 F1174	L401-V1170 HydrophobicContact CD1-CG1 4.45Å; L401-V1170 HydrophobicContact CD1-CG2 4.22Å; V404-V1170 HydrophobicContact CG1-CG2 3.89Å; A1166-V1170 WeakPolarHBondContact O-CG2 3.47Å; A1166-V1170 PolarHBondContact O-N 3.39Å; A1167-V1170 PolarHBondContact O-N 2.92Å; V1170-R1172 VanDerWaalsContact C-N 3.27Å; V1170-R1172 PolarHBondContact O-N 3.48Å; V1170-G1173 WeakPolarHBondContact O-CA 3.34Å; V1170-G1173 PolarHBondContact O-N 3.05Å; V1170-F1174 HydrophobicContact CG1-CD2 3.78Å; V1170-F1174 HydrophobicContact CG1-CE2 3.77Å; V1170-F1174 WeakPolarHBondContact O-CD2 3.36Å; V1170-F1174 PolarHBondContact O-N 3.41Å
1171	A	38.5	Very low	36.8	Very low	62 Å²	62	84.1 Å²	84.1	51%	0.512	48%	0.477	S	S	.	.	H	α-helix	trans	-63.3	-30.9	175.4	0	0	0	0	0	112.9	A1167 G1175	A1167-A1171 VanDerWaalsContact O-CB 3.25Å; A1167-A1171 WeakPolarHBondContact O-CB 3.37Å; A1167-A1171 PolarHBondContact O-N 3.01Å; A1171-G1175 WeakPolarHBondContact O-CA 3.22Å; A1171-G1175 PolarHBondContact O-N 3.44Å
1172	R	38.4	Very low	36.6	Very low	164 Å²	164	88.5 Å²	88.5	62%	0.619	49%	0.485	S	S	*	.	H	α-helix	trans	-78.9	-27.5	169.5	-81.2	-179.3	-74.2	178	-3.4	113.4	N1168 A1169 V1170 G1175 A1176	N1168-R1172 VanDerWaalsContact O-CB 3.26Å; N1168-R1172 WeakPolarHBondContact O-CB 3.28Å; N1168-R1172 VanDerWaalsContact O-CG 3.3Å; N1168-R1172 WeakPolarHBondContact O-CG 3.45Å; N1168-R1172 PolarHBondContact O-N 3.36Å; N1168-R1172 PolarHBondContact O-NE 2.7Å; A1169-R1172 CarbonylContact O-C 3.56Å; A1169-R1172 PolarHBondContact O-N 3.01Å; V1170-R1172 VanDerWaalsContact C-N 3.27Å; V1170-R1172 PolarHBondContact O-N 3.48Å; R1172-G1175 CarbonylContact O-C 3.56Å; R1172-G1175 PolarHBondContact O-N 3.38Å; R1172-A1176 WeakPolarHBondContact O-CA 3.48Å; R1172-A1176 WeakPolarHBondContact O-CB 3.32Å; R1172-A1176 PolarHBondContact O-N 3.24Å
1173	G	33.4	Very low	36.5	Very low	18 Å²	18	82.2 Å²	82.2	19%	0.186	47%	0.465	C	S	.	.	H	α-helix	trans	-63.9	-61.3	173	0	0	0	0	0	110.5	A1169 V1170 G1175 A1176 I1177	A1169-G1173 PolarHBondContact O-N 3.03Å; V1170-G1173 WeakPolarHBondContact O-CA 3.34Å; V1170-G1173 PolarHBondContact O-N 3.05Å; G1173-G1175 PolarHBondContact O-N 2.89Å; G1173-A1176 PolarHBondContact O-N 3.42Å; G1173-A1176 VanDerWaalsContact O-N 3.11Å; G1173-I1177 WeakPolarHBondContact O-CG1 3.48Å; G1173-I1177 PolarHBondContact O-N 3.43Å; G1173-I1177 VanDerWaalsContact O-N 3.07Å
1174	F	35.2	Very low	36.4	Very low	126 Å²	126	84.7 Å²	84.7	55%	0.553	47%	0.469	S	S	*	.	H	α-helix	trans	-57	-32.2	171.3	-73.7	-74.6	0	0	0	112.5	V1170	V1170-F1174 HydrophobicContact CG1-CD2 3.78Å; V1170-F1174 HydrophobicContact CG1-CE2 3.77Å; V1170-F1174 WeakPolarHBondContact O-CD2 3.36Å; V1170-F1174 PolarHBondContact O-N 3.41Å
1175	G	32.3	Very low	36.4	Very low	19 Å²	19	88.5 Å²	88.5	20%	0.196	48%	0.479	C	S	.	.	H	α-helix	trans	-81.6	-8.8	178.1	0	0	0	0	0	117	R1115 A1171 R1172 G1173	R1115-G1175 PolarHBondContact NH2-O 3.4Å; A1171-G1175 WeakPolarHBondContact O-CA 3.22Å; A1171-G1175 PolarHBondContact O-N 3.44Å; R1172-G1175 CarbonylContact O-C 3.56Å; R1172-G1175 PolarHBondContact O-N 3.38Å; G1173-G1175 PolarHBondContact O-N 2.89Å
1176	A	34.9	Very low	36.2	Very low	41 Å²	41	83.2 Å²	83.2	34%	0.339	46%	0.457	S	S	.	.	H	α-helix	trans	-123.7	-1.3	-177.7	0	0	0	0	0	113.8	R1172 G1173 Y1178	R1172-A1176 WeakPolarHBondContact O-CA 3.48Å; R1172-A1176 WeakPolarHBondContact O-CB 3.32Å; R1172-A1176 PolarHBondContact O-N 3.24Å; G1173-A1176 PolarHBondContact O-N 3.42Å; G1173-A1176 VanDerWaalsContact O-N 3.11Å; A1176-Y1178 PolarHBondContact O-N 3.36Å
1177	I	37.6	Very low	36	Very low	74 Å²	74	88 Å²	88	38%	0.379	48%	0.475	S	S	.	.	S	Bend	trans	-62.4	-19	154.2	-71.2	165.3	0	0	0	110.5	G1173	G1173-I1177 WeakPolarHBondContact O-CG1 3.48Å; G1173-I1177 PolarHBondContact O-N 3.43Å; G1173-I1177 VanDerWaalsContact O-N 3.07Å
1178	Y	36	Very low	35.9	Very low	110 Å²	110	92.6 Å²	92.6	43%	0.431	49%	0.486	S	S	.	.	S	Bend	trans	-119.6	162.7	175.4	-72	-94.5	0	0	0	112.7	I971 A1176	I971-Y1178 HydrophobicContact CD1-CE1 4.28Å; I971-Y1178 HydrophobicContact CD1-CE2 4.19Å; I971-Y1178 WeakPolarHBondContact CD1-OH 3.3Å; A1176-Y1178 PolarHBondContact O-N 3.36Å
1179	T	32.1	Very low	35.9	Very low	83 Å²	83	93.7 Å²	93.7	51%	0.509	49%	0.493	S	S	.	.			trans	72.4	93.8	171.9	63.8	0	0	0	0	118.1	R1115	R1115-T1179 PolarHBondContact NH1-OG1 3.3Å
1180	Q	36.4	Very low	36.2	Very low	133 Å²	133	95 Å²	95	62%	0.621	49%	0.491	S	S	*	.	S	Bend		-85.4	162.2	117.9	-75.1	-171.4	-78.9	0	0	107.9	E1182	Q1180-E1182 PolarHBondContact O-N 3.01Å
1181	P	32	Very low	36.4	Very low	126 Å²	126	98.8 Å²	98.8	82%	0.818	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-69.4	123.4	176.4	28.1	-33.4	0	0	0	110.8
1182	E	34.6	Very low	36.8	Very low	141 Å²	141	101.1 Å²	101.1	66%	0.659	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-69.6	145.9	160.4	-69.7	158.1	149.4	0	0	107.9	R968 Q1180	R968-E1182 IonicContact NH2-OE1 2.73Å; R968-E1182 PolarHBondContact NH2-OE1 3.49Å; Q1180-E1182 PolarHBondContact O-N 3.01Å
1183	G	33.4	Very low	37.5	Very low	27 Å²	27	100.2 Å²	100.2	28%	0.278	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-100	153.5	178.1	0	0	0	0	0	111.4	E1185 E1186	G1183-E1185 PolarHBondContact O-N 3.15Å; G1183-E1185 VanDerWaalsContact O-N 3.08Å; G1183-E1186 PolarHBondContact O-N 2.78Å
1184	E	33.8	Very low	38.4	Very low	168 Å²	168	102.9 Å²	102.9	79%	0.785	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-24.9	-169.9	-63.8	173.8	151.9	0	0	113.3	E1187	E1184-E1187 PolarHBondContact O-N 3.45Å
1185	E	37.4	Very low	39.4	Very low	150 Å²	150	101.5 Å²	101.5	70%	0.701	51%	0.512	S	S	*	.	H	α-helix	trans	-70.8	-24.8	176.1	-63.1	176.4	168	0	0	114.4	G1183 E1187	G1183-E1185 PolarHBondContact O-N 3.15Å; G1183-E1185 VanDerWaalsContact O-N 3.08Å; E1185-E1187 VanDerWaalsContact C-N 3.27Å; E1185-E1187 PolarHBondContact O-N 3.4Å
1186	E	37	Very low	40.7	Very low	49 Å²	49	105.1 Å²	105.1	23%	0.229	52%	0.522	C	S	.	.	H	α-helix	trans	-79.7	-7.7	174.8	-74.3	-169.9	107.4	0	0	112.7	T829 R830 G1183	T829-E1186 VanDerWaalsContact OG1-CD 3.3Å; T829-E1186 PolarHBondContact OG1-OE2 3.06Å; R830-E1186 IonicContact CZ-OE1 2.76Å; R830-E1186 IonicContact NE-OE1 2.67Å; R830-E1186 PolarHBondContact NE-OE1 3.44Å; R830-E1186 IonicContact NH2-OE1 2.81Å; R830-E1186 PolarHBondContact NH2-OE1 3.48Å; G1183-E1186 PolarHBondContact O-N 2.78Å
1187	E	35.4	Very low	41.6	Very low	124 Å²	124	108.5 Å²	108.5	58%	0.579	53%	0.532	S	S	*	.	H	α-helix	trans	-77.2	-38.6	171.6	-62.9	-163.2	131.9	0	0	111.6	E1184 E1185 E1191	E1184-E1187 PolarHBondContact O-N 3.45Å; E1185-E1187 VanDerWaalsContact C-N 3.27Å; E1185-E1187 PolarHBondContact O-N 3.4Å; E1187-E1191 VanDerWaalsContact O-CB 3.28Å; E1187-E1191 WeakPolarHBondContact O-CB 3.41Å; E1187-E1191 WeakPolarHBondContact O-CG 3.38Å; E1187-E1191 PolarHBondContact O-N 3.39Å
1188	E	36.6	Very low	42.4	Very low	155 Å²	155	108.6 Å²	108.6	72%	0.724	53%	0.532	S	S	*	.	H	α-helix	trans	-69.1	-44.5	-179.1	-64.6	-166.6	155.3	0	0	113.1	E1191 E1192	E1188-E1191 PolarHBondContact O-N 3.13Å; E1188-E1192 PolarHBondContact O-N 2.76Å
1189	D	41.1	Very low	43.5	Very low	108 Å²	108	108.5 Å²	108.5	58%	0.578	53%	0.534	S	S	*	.	H	α-helix	trans	-64.4	-43.2	176.9	-96.6	-0.7	0	0	0	112.1	E1193	D1189-E1193 PolarHBondContact O-N 2.94Å
1190	E	45.2	Very low	45.1	Very low	74 Å²	74	109 Å²	109	35%	0.346	53%	0.532	S	S	.	.	H	α-helix	trans	-69	-36.8	175.7	-79.2	-161.2	160.3	0	0	111.7	R968 K1112 E1194	R968-E1190 IonicContact CZ-OE1 2.94Å; R968-E1190 IonicContact CZ-OE2 3.22Å; R968-E1190 VanDerWaalsContact NH1-CD 3.35Å; R968-E1190 IonicContact NH1-OE1 3.59Å; R968-E1190 PolarHBondContact NH1-OE1 3.37Å; R968-E1190 IonicContact NH1-OE2 2.82Å; R968-E1190 PolarHBondContact NH1-OE2 3.45Å; R968-E1190 IonicContact NH2-OE1 3.22Å; R968-E1190 IonicContact NH2-OE2 3.17Å; R968-E1190 PolarHBondContact NH2-OE2 3.29Å; K1112-E1190 IonicContact NZ-OE2 3.99Å; E1190-E1194 VanDerWaalsContact O-CB 3.23Å; E1190-E1194 WeakPolarHBondContact O-CB 3.46Å; E1190-E1194 VanDerWaalsContact O-CG 3.29Å; E1190-E1194 WeakPolarHBondContact O-CG 3.34Å; E1190-E1194 PolarHBondContact O-N 3.32Å
1191	E	44	Very low	46.2	Very low	123 Å²	123	106.6 Å²	106.6	58%	0.575	52%	0.521	S	S	*	.	H	α-helix	trans	-70.1	-36.3	177	-76.4	-167	173.1	0	0	112.6	E1187 E1188 E1194 E1195	E1187-E1191 VanDerWaalsContact O-CB 3.28Å; E1187-E1191 WeakPolarHBondContact O-CB 3.41Å; E1187-E1191 WeakPolarHBondContact O-CG 3.38Å; E1187-E1191 PolarHBondContact O-N 3.39Å; E1188-E1191 PolarHBondContact O-N 3.13Å; E1191-E1194 PolarHBondContact O-N 2.88Å; E1191-E1195 VanDerWaalsContact O-CB 3.28Å; E1191-E1195 WeakPolarHBondContact O-CB 3.34Å; E1191-E1195 PolarHBondContact O-N 2.87Å
1192	E	46.9	Very low	47.5	Very low	110 Å²	110	109.4 Å²	109.4	51%	0.514	52%	0.515	S	S	.	.	H	α-helix	trans	-69.5	-37.2	177.9	-141.9	-145.4	165.6	0	0	112.2	E1188 K1196	E1188-E1192 PolarHBondContact O-N 2.76Å; E1192-K1196 WeakPolarHBondContact O-CB 3.32Å; E1192-K1196 VanDerWaalsContact O-CD 3.29Å; E1192-K1196 WeakPolarHBondContact O-CD 3.16Å; E1192-K1196 WeakPolarHBondContact O-CG 3.47Å; E1192-K1196 PolarHBondContact O-N 3.44Å; E1192-K1196 VanDerWaalsContact O-N 3.11Å; E1192-K1196 WeakPolarHBondContact OE1-CE 3.25Å; E1192-K1196 IonicContact OE1-NZ 3.22Å; E1192-K1196 PolarHBondContact OE1-NZ 3.24Å; E1192-K1196 IonicContact OE2-NZ 2.68Å; E1192-K1196 PolarHBondContact OE2-NZ 3.02Å
1193	E	51.5	Low	48.9	Very low	145 Å²	145	107.6 Å²	107.6	68%	0.678	51%	0.509	S	S	*	.	H	α-helix	trans	-70.7	-42.8	170.6	-74.3	-156.2	149	0	0	112.4	D1189 E1195 K1196 M1197	D1189-E1193 PolarHBondContact O-N 2.94Å; E1193-E1195 VanDerWaalsContact C-N 3.33Å; E1193-E1195 PolarHBondContact O-N 3.47Å; E1193-K1196 PolarHBondContact O-N 2.93Å; E1193-M1197 WeakPolarHBondContact O-CB 3.44Å; E1193-M1197 WeakPolarHBondContact O-CG 3.4Å; E1193-M1197 PolarHBondContact O-N 3.38Å
1194	E	54	Low	50.2	Low	75 Å²	75	110.4 Å²	110.4	35%	0.35	52%	0.517	S	S	.	.	H	α-helix	trans	-61.6	-38.3	176.2	-79.6	-178.4	-175.9	0	0	111.5	K1112 E1190 E1191 M1198	K1112-E1194 WeakPolarHBondContact CE-OE1 3.46Å; K1112-E1194 IonicContact NZ-OE1 2.74Å; K1112-E1194 PolarHBondContact NZ-OE1 3.13Å; K1112-E1194 IonicContact NZ-OE2 2.95Å; K1112-E1194 PolarHBondContact NZ-OE2 3.2Å; E1190-E1194 VanDerWaalsContact O-CB 3.23Å; E1190-E1194 WeakPolarHBondContact O-CB 3.46Å; E1190-E1194 VanDerWaalsContact O-CG 3.29Å; E1190-E1194 WeakPolarHBondContact O-CG 3.34Å; E1190-E1194 PolarHBondContact O-N 3.32Å; E1191-E1194 PolarHBondContact O-N 2.88Å; E1194-M1198 HydrophobicContact CB-CE 4.34Å; E1194-M1198 WeakPolarHBondContact O-CB 3.37Å; E1194-M1198 WeakPolarHBondContact O-CG 3.4Å; E1194-M1198 PolarHBondContact O-N 3.08Å
1195	E	55.9	Low	51.3	Low	97 Å²	97	106.1 Å²	106.1	45%	0.453	51%	0.506	S	S	.	.	H	α-helix	trans	-73.6	-39.8	178.5	-153.6	-141.5	179.7	0	0	112.5	E1191 E1193 M1198 K1199	E1191-E1195 VanDerWaalsContact O-CB 3.28Å; E1191-E1195 WeakPolarHBondContact O-CB 3.34Å; E1191-E1195 PolarHBondContact O-N 2.87Å; E1193-E1195 VanDerWaalsContact C-N 3.33Å; E1193-E1195 PolarHBondContact O-N 3.47Å; E1195-M1198 PolarHBondContact O-N 3.42Å; E1195-K1199 WeakPolarHBondContact O-CB 3.42Å; E1195-K1199 VanDerWaalsContact O-CG 3.31Å; E1195-K1199 WeakPolarHBondContact O-CG 3.42Å; E1195-K1199 PolarHBondContact O-N 2.87Å; E1195-K1199 WeakPolarHBondContact OE1-CE 3.42Å; E1195-K1199 IonicContact OE1-NZ 3.17Å; E1195-K1199 PolarHBondContact OE1-NZ 2.7Å; E1195-K1199 WeakPolarHBondContact OE2-CE 3.4Å; E1195-K1199 IonicContact OE2-NZ 3.62Å; E1195-K1199 PolarHBondContact OE2-NZ 2.9Å
1196	K	59.5	Low	52.4	Low	95 Å²	95	103.4 Å²	103.4	41%	0.413	50%	0.499	S	S	.	.	H	α-helix	trans	-60.3	-45	172.1	-75.3	165.6	-172.8	168.8	0	111.2	E1192 E1193 K1199 I1200	E1192-K1196 WeakPolarHBondContact O-CB 3.32Å; E1192-K1196 VanDerWaalsContact O-CD 3.29Å; E1192-K1196 WeakPolarHBondContact O-CD 3.16Å; E1192-K1196 WeakPolarHBondContact O-CG 3.47Å; E1192-K1196 PolarHBondContact O-N 3.44Å; E1192-K1196 VanDerWaalsContact O-N 3.11Å; E1192-K1196 WeakPolarHBondContact OE1-CE 3.25Å; E1192-K1196 IonicContact OE1-NZ 3.22Å; E1192-K1196 PolarHBondContact OE1-NZ 3.24Å; E1192-K1196 IonicContact OE2-NZ 2.68Å; E1192-K1196 PolarHBondContact OE2-NZ 3.02Å; E1193-K1196 PolarHBondContact O-N 2.93Å; K1196-K1199 PolarHBondContact O-N 2.94Å; K1196-I1200 WeakPolarHBondContact O-CG1 3.34Å; K1196-I1200 PolarHBondContact O-N 3.3Å
1197	M	52.6	Low	53.3	Low	111 Å²	111	106.1 Å²	106.1	55%	0.547	51%	0.512	S	S	.	.	H	α-helix	trans	-66.2	-44.5	176.4	-73.6	-69.7	-77.3	0	0	112	E1193 K1199 I1200 E1201	E1193-M1197 WeakPolarHBondContact O-CB 3.44Å; E1193-M1197 WeakPolarHBondContact O-CG 3.4Å; E1193-M1197 PolarHBondContact O-N 3.38Å; M1197-K1199 VanDerWaalsContact C-N 3.3Å; M1197-K1199 PolarHBondContact O-N 2.78Å; M1197-I1200 PolarHBondContact O-N 2.85Å; M1197-I1200 VanDerWaalsContact O-N 3.12Å; M1197-E1201 PolarHBondContact O-N 2.93Å
1198	M	55.1	Low	54.6	Low	76 Å²	76	105 Å²	105	37%	0.374	51%	0.509	S	S	.	.	H	α-helix	trans	-61	-36	175.7	-84.6	-169.5	-84.9	0	0	113.1	E1194 E1195 R1202	E1194-M1198 HydrophobicContact CB-CE 4.34Å; E1194-M1198 WeakPolarHBondContact O-CB 3.37Å; E1194-M1198 WeakPolarHBondContact O-CG 3.4Å; E1194-M1198 PolarHBondContact O-N 3.08Å; E1195-M1198 PolarHBondContact O-N 3.42Å; M1198-R1202 WeakPolarHBondContact O-CB 3.39Å; M1198-R1202 VanDerWaalsContact O-CG 3.28Å; M1198-R1202 WeakPolarHBondContact O-CG 3.45Å; M1198-R1202 PolarHBondContact O-N 3.08Å
1199	K	59.2	Low	55.4	Low	109 Å²	109	105 Å²	105	47%	0.474	50%	0.503	S	S	.	.	H	α-helix	trans	-62.7	-44.4	173.5	-76.8	165	178.1	166.7	0	111.2	E1195 K1196 M1197 I1203	E1195-K1199 WeakPolarHBondContact O-CB 3.42Å; E1195-K1199 VanDerWaalsContact O-CG 3.31Å; E1195-K1199 WeakPolarHBondContact O-CG 3.42Å; E1195-K1199 PolarHBondContact O-N 2.87Å; E1195-K1199 WeakPolarHBondContact OE1-CE 3.42Å; E1195-K1199 IonicContact OE1-NZ 3.17Å; E1195-K1199 PolarHBondContact OE1-NZ 2.7Å; E1195-K1199 WeakPolarHBondContact OE2-CE 3.4Å; E1195-K1199 IonicContact OE2-NZ 3.62Å; E1195-K1199 PolarHBondContact OE2-NZ 2.9Å; K1196-K1199 PolarHBondContact O-N 2.94Å; M1197-K1199 VanDerWaalsContact C-N 3.3Å; M1197-K1199 PolarHBondContact O-N 2.78Å; K1199-I1203 WeakPolarHBondContact O-CD1 3.47Å; K1199-I1203 VanDerWaalsContact O-CG1 3.3Å; K1199-I1203 WeakPolarHBondContact O-CG1 3.17Å; K1199-I1203 PolarHBondContact O-N 2.88Å
1200	I	66.6	Low	56.3	Low	94 Å²	94	103.5 Å²	103.5	48%	0.482	50%	0.498	S	S	.	.	H	α-helix	trans	-67	-47.5	177.5	-66.4	166.1	0	0	0	111.5	K1196 M1197 R1202 I1203 L1204	K1196-I1200 WeakPolarHBondContact O-CG1 3.34Å; K1196-I1200 PolarHBondContact O-N 3.3Å; M1197-I1200 PolarHBondContact O-N 2.85Å; M1197-I1200 VanDerWaalsContact O-N 3.12Å; I1200-R1202 PolarHBondContact O-N 3.1Å; I1200-I1203 PolarHBondContact O-N 3.32Å; I1200-L1204 HydrophobicContact CG2-CD1 3.89Å; I1200-L1204 WeakPolarHBondContact O-CG 3.41Å; I1200-L1204 PolarHBondContact O-N 3.24Å
1201	E	59	Low	57	Low	82 Å²	82	104.6 Å²	104.6	38%	0.383	51%	0.505	S	S	.	.	H	α-helix	trans	-63.3	-38.4	179.9	-73.4	-165.6	148.7	0	0	112.5	M1197 L1204 S1205	M1197-E1201 PolarHBondContact O-N 2.93Å; E1201-L1204 PolarHBondContact O-N 3.25Å; E1201-S1205 VanDerWaalsContact O-CB 3.27Å; E1201-S1205 WeakPolarHBondContact O-CB 3.03Å; E1201-S1205 PolarHBondContact O-N 2.94Å; E1201-S1205 PolarHBondContact O-OG 2.65Å
1202	R	59.3	Low	57.5	Low	184 Å²	184	103 Å²	103	69%	0.694	50%	0.5	S	S	*	.	H	α-helix	trans	-63.3	-43.1	174.3	-77.2	-180	179.9	-163.7	2.6	112.1	M1198 I1200 S1205 V1206	M1198-R1202 WeakPolarHBondContact O-CB 3.39Å; M1198-R1202 VanDerWaalsContact O-CG 3.28Å; M1198-R1202 WeakPolarHBondContact O-CG 3.45Å; M1198-R1202 PolarHBondContact O-N 3.08Å; I1200-R1202 PolarHBondContact O-N 3.1Å; R1202-S1205 PolarHBondContact O-N 2.95Å; R1202-V1206 WeakPolarHBondContact O-CB 3.18Å; R1202-V1206 VanDerWaalsContact O-CG2 3.31Å; R1202-V1206 WeakPolarHBondContact O-CG2 3.28Å; R1202-V1206 PolarHBondContact O-N 3.2Å
1203	I	64.6	Low	58	Low	103 Å²	103	102 Å²	102	53%	0.528	50%	0.502	S	S	.	.	H	α-helix	trans	-61.9	-48.8	177.1	-69	165.2	0	0	0	110.3	K1199 I1200 V1206 Q1207	K1199-I1203 WeakPolarHBondContact O-CD1 3.47Å; K1199-I1203 VanDerWaalsContact O-CG1 3.3Å; K1199-I1203 WeakPolarHBondContact O-CG1 3.17Å; K1199-I1203 PolarHBondContact O-N 2.88Å; I1200-I1203 PolarHBondContact O-N 3.32Å; I1203-V1206 PolarHBondContact O-N 3.45Å; I1203-Q1207 WeakPolarHBondContact O-CB 3.3Å; I1203-Q1207 WeakPolarHBondContact O-CG 3.17Å; I1203-Q1207 PolarHBondContact O-N 3.38Å
1204	L	59.3	Low	58.3	Low	87 Å²	87	103.4 Å²	103.4	46%	0.455	51%	0.505	S	S	.	.	H	α-helix	trans	-63.1	-43.1	178.6	-72.3	170.1	0	0	0	112.3	I1200 E1201 V1206 Q1207 I1208	I1200-L1204 HydrophobicContact CG2-CD1 3.89Å; I1200-L1204 WeakPolarHBondContact O-CG 3.41Å; I1200-L1204 PolarHBondContact O-N 3.24Å; E1201-L1204 PolarHBondContact O-N 3.25Å; L1204-V1206 PolarHBondContact O-N 3.27Å; L1204-Q1207 PolarHBondContact O-N 3.03Å; L1204-I1208 WeakPolarHBondContact O-CB 3.4Å; L1204-I1208 VanDerWaalsContact O-CG1 3.25Å; L1204-I1208 WeakPolarHBondContact O-CG1 3.49Å; L1204-I1208 PolarHBondContact O-N 3.09Å
1205	S	57.8	Low	58.1	Low	77 Å²	77	108.4 Å²	108.4	54%	0.538	52%	0.522	S	S	.	.	H	α-helix	trans	-63.3	-42.1	178.5	-59.4	0	0	0	0	111.8	E1201 R1202 Y1209	E1201-S1205 VanDerWaalsContact O-CB 3.27Å; E1201-S1205 WeakPolarHBondContact O-CB 3.03Å; E1201-S1205 PolarHBondContact O-N 2.94Å; E1201-S1205 PolarHBondContact O-OG 2.65Å; R1202-S1205 PolarHBondContact O-N 2.95Å; S1205-Y1209 VanDerWaalsContact O-CB 3.25Å; S1205-Y1209 WeakPolarHBondContact O-CB 3.48Å; S1205-Y1209 PolarHBondContact O-N 2.74Å
1206	V	60	Low	57.9	Low	93 Å²	93	112.7 Å²	112.7	56%	0.564	54%	0.536	S	S	*	.	H	α-helix	trans	-67	-41.5	175.6	170.9	0	0	0	0	111.2	R1202 I1203 L1204 Y1209 V1210	R1202-V1206 WeakPolarHBondContact O-CB 3.18Å; R1202-V1206 VanDerWaalsContact O-CG2 3.31Å; R1202-V1206 WeakPolarHBondContact O-CG2 3.28Å; R1202-V1206 PolarHBondContact O-N 3.2Å; I1203-V1206 PolarHBondContact O-N 3.45Å; L1204-V1206 PolarHBondContact O-N 3.27Å; V1206-Y1209 PolarHBondContact O-N 3.34Å; V1206-V1210 HydrophobicContact CG1-CG2 4.33Å; V1206-V1210 WeakPolarHBondContact O-CB 3.38Å; V1206-V1210 VanDerWaalsContact O-CG2 3.26Å; V1206-V1210 WeakPolarHBondContact O-CG2 3.35Å; V1206-V1210 PolarHBondContact O-N 3.23Å
1207	Q	56.5	Low	56.9	Low	106 Å²	106	111.1 Å²	111.1	50%	0.495	55%	0.546	S	S	.	.	H	α-helix	trans	-63.5	-44.7	175.8	-76	177.8	-33.7	0	0	112.2	I1203 L1204 V1210 I1211	I1203-Q1207 WeakPolarHBondContact O-CB 3.3Å; I1203-Q1207 WeakPolarHBondContact O-CG 3.17Å; I1203-Q1207 PolarHBondContact O-N 3.38Å; L1204-Q1207 PolarHBondContact O-N 3.03Å; Q1207-V1210 PolarHBondContact O-N 3.16Å; Q1207-I1211 WeakPolarHBondContact O-CB 3.5Å; Q1207-I1211 WeakPolarHBondContact O-CD1 3.14Å; Q1207-I1211 VanDerWaalsContact O-CG1 3.22Å; Q1207-I1211 WeakPolarHBondContact O-CG1 3.38Å; Q1207-I1211 PolarHBondContact O-N 3.18Å
1208	I	61.5	Low	56.4	Low	100 Å²	100	115 Å²	115	51%	0.513	56%	0.56	S	S	.	*	H	α-helix	trans	-63.8	-43.9	176.8	-69.4	165.3	0	0	0	110.7	L1204 I1211 L1212	L1204-I1208 WeakPolarHBondContact O-CB 3.4Å; L1204-I1208 VanDerWaalsContact O-CG1 3.25Å; L1204-I1208 WeakPolarHBondContact O-CG1 3.49Å; L1204-I1208 PolarHBondContact O-N 3.09Å; I1208-I1211 PolarHBondContact O-N 2.95Å; I1208-L1212 HydrophobicContact CG2-CD1 3.87Å; I1208-L1212 HydrophobicContact CG2-CG 4.42Å; I1208-L1212 WeakPolarHBondContact O-CB 3.45Å; I1208-L1212 WeakPolarHBondContact O-CG 3.36Å; I1208-L1212 PolarHBondContact O-N 3.41Å
1209	Y	53.9	Low	55.5	Low	155 Å²	155	119.2 Å²	119.2	61%	0.608	58%	0.579	S	S	*	*	H	α-helix	trans	-62.1	-45.8	176.4	-174.3	-98.6	0	0	0	112	S1205 V1206 I1211 L1212 V1213	S1205-Y1209 VanDerWaalsContact O-CB 3.25Å; S1205-Y1209 WeakPolarHBondContact O-CB 3.48Å; S1205-Y1209 PolarHBondContact O-N 2.74Å; V1206-Y1209 PolarHBondContact O-N 3.34Å; Y1209-I1211 VanDerWaalsContact C-N 3.33Å; Y1209-I1211 PolarHBondContact O-N 3.43Å; Y1209-L1212 PolarHBondContact O-N 3.05Å; Y1209-V1213 HydrophobicContact CD1-CG2 4.19Å; Y1209-V1213 HydrophobicContact CE1-CG2 3.89Å; Y1209-V1213 HydrophobicContact CE2-CG2 4.29Å; Y1209-V1213 WeakPolarHBondContact O-CB 3.35Å; Y1209-V1213 VanDerWaalsContact O-CG2 3.3Å; Y1209-V1213 WeakPolarHBondContact O-CG2 3.11Å; Y1209-V1213 PolarHBondContact O-N 3.21Å
1210	V	61.1	Low	54.5	Low	78 Å²	78	120.4 Å²	120.4	47%	0.473	60%	0.595	S	S	.	*	H	α-helix	trans	-62.5	-39	176.1	168	0	0	0	0	111.6	V1206 Q1207 K1214	V1206-V1210 HydrophobicContact CG1-CG2 4.33Å; V1206-V1210 WeakPolarHBondContact O-CB 3.38Å; V1206-V1210 VanDerWaalsContact O-CG2 3.26Å; V1206-V1210 WeakPolarHBondContact O-CG2 3.35Å; V1206-V1210 PolarHBondContact O-N 3.23Å; Q1207-V1210 PolarHBondContact O-N 3.16Å; V1210-K1214 WeakPolarHBondContact O-CB 3.47Å; V1210-K1214 PolarHBondContact O-N 3.38Å
1211	I	59.6	Low	53	Low	97 Å²	97	126 Å²	126	50%	0.497	61%	0.612	S	S	.	*	H	α-helix	trans	-65.3	-49.7	175.3	-71.6	164.3	0	0	0	110.6	Q1207 I1208 Y1209 V1213 K1214 Y1215	Q1207-I1211 WeakPolarHBondContact O-CB 3.5Å; Q1207-I1211 WeakPolarHBondContact O-CD1 3.14Å; Q1207-I1211 VanDerWaalsContact O-CG1 3.22Å; Q1207-I1211 WeakPolarHBondContact O-CG1 3.38Å; Q1207-I1211 PolarHBondContact O-N 3.18Å; I1208-I1211 PolarHBondContact O-N 2.95Å; Y1209-I1211 VanDerWaalsContact C-N 3.33Å; Y1209-I1211 PolarHBondContact O-N 3.43Å; I1211-V1213 PolarHBondContact O-N 3.33Å; I1211-K1214 PolarHBondContact O-N 3.02Å; I1211-K1214 VanDerWaalsContact O-N 3.1Å; I1211-Y1215 HydrophobicContact CG2-CD2 4.07Å; I1211-Y1215 WeakPolarHBondContact O-CD2 3.49Å; I1211-Y1215 PolarHBondContact O-N 3.29Å; I1211-Y1215 VanDerWaalsContact O-N 3.08Å
1212	L	53.5	Low	52	Low	90 Å²	90	130.5 Å²	130.5	47%	0.471	63%	0.632	S	S	.	*	H	α-helix	trans	-58.4	-47.3	179	-72.6	168.8	0	0	0	111.5	I1208 Y1209 K1214 Y1215 Y1216	I1208-L1212 HydrophobicContact CG2-CD1 3.87Å; I1208-L1212 HydrophobicContact CG2-CG 4.42Å; I1208-L1212 WeakPolarHBondContact O-CB 3.45Å; I1208-L1212 WeakPolarHBondContact O-CG 3.36Å; I1208-L1212 PolarHBondContact O-N 3.41Å; Y1209-L1212 PolarHBondContact O-N 3.05Å; L1212-K1214 VanDerWaalsContact C-N 3.27Å; L1212-K1214 PolarHBondContact O-N 3.27Å; L1212-Y1215 PolarHBondContact O-N 2.67Å; L1212-Y1216 HydrophobicContact CD2-CD2 4.03Å; L1212-Y1216 HydrophobicContact CD2-CE2 4.24Å; L1212-Y1216 PolarHBondContact O-N 3.12Å
1213	V	58.2	Low	51	Low	89 Å²	89	128.9 Å²	128.9	54%	0.539	64%	0.638	S	S	.	*	H	α-helix	trans	-65	-27	177.6	172.9	0	0	0	0	112.7	Y1209 I1211	Y1209-V1213 HydrophobicContact CD1-CG2 4.19Å; Y1209-V1213 HydrophobicContact CE1-CG2 3.89Å; Y1209-V1213 HydrophobicContact CE2-CG2 4.29Å; Y1209-V1213 WeakPolarHBondContact O-CB 3.35Å; Y1209-V1213 VanDerWaalsContact O-CG2 3.3Å; Y1209-V1213 WeakPolarHBondContact O-CG2 3.11Å; Y1209-V1213 PolarHBondContact O-N 3.21Å; I1211-V1213 PolarHBondContact O-N 3.33Å
1214	K	58.2	Low	50	Low	174 Å²	174	133.3 Å²	133.3	76%	0.757	65%	0.649	S	S	*	*	H	α-helix	trans	-79.8	-26.4	175.6	-120.7	-179.8	177.8	-178.7	0	114.5	V1210 I1211 L1212	V1210-K1214 WeakPolarHBondContact O-CB 3.47Å; V1210-K1214 PolarHBondContact O-N 3.38Å; I1211-K1214 PolarHBondContact O-N 3.02Å; I1211-K1214 VanDerWaalsContact O-N 3.1Å; L1212-K1214 VanDerWaalsContact C-N 3.27Å; L1212-K1214 PolarHBondContact O-N 3.27Å
1215	Y	50.1	Low	48.9	Very low	180 Å²	180	137.2 Å²	137.2	71%	0.706	66%	0.663	S	S	*	*	H	α-helix	trans	-110.4	-21.9	-171.9	-80.2	-85.5	0	0	0	114.4	I1211 L1212	I1211-Y1215 HydrophobicContact CG2-CD2 4.07Å; I1211-Y1215 WeakPolarHBondContact O-CD2 3.49Å; I1211-Y1215 PolarHBondContact O-N 3.29Å; I1211-Y1215 VanDerWaalsContact O-N 3.08Å; L1212-Y1215 PolarHBondContact O-N 2.67Å
1216	Y	51.5	Low	47.9	Very low	187 Å²	187	142.4 Å²	142.4	73%	0.733	68%	0.678	S	S	*	*	S	Bend	trans	-125.7	74.2	-177.8	-63.7	-85.3	0	0	0	110.7	L1212	L1212-Y1216 HydrophobicContact CD2-CD2 4.03Å; L1212-Y1216 HydrophobicContact CD2-CE2 4.24Å; L1212-Y1216 PolarHBondContact O-N 3.12Å
1217	G	38.1	Very low	46.9	Very low	61 Å²	61	142.6 Å²	142.6	63%	0.629	68%	0.684	S	S	*	*			trans	-77.3	163.7	-177.7	0	0	0	0	0	114.9
1218	F	41.5	Very low	45.9	Very low	192 Å²	192	143.7 Å²	143.7	84%	0.842	69%	0.692	S	S	*	*			trans	85.8	143.9	167.5	-88.5	-113.1	0	0	0	120.4
1219	E	35.3	Very low	44.8	Very low	166 Å²	166	146.9 Å²	146.9	78%	0.776	70%	0.704	S	S	*	*			trans	55.8	78.2	153.5	-72.3	164.8	-164	0	0	120.4
1220	V	39.7	Very low	44.1	Very low	134 Å²	134	145.4 Å²	145.4	81%	0.812	71%	0.711	S	S	*	*				-164	113.1	109.3	172.6	0	0	0	0	107.7
1221	Y	34.7	Very low	43	Very low	211 Å²	211	149 Å²	149	83%	0.827	73%	0.728	S	S	*	*			trans	-152.8	21.5	-176.7	-147.4	-101.3	0	0	0	117.8
1222	Q	37.9	Very low	41.7	Very low	176 Å²	176	151.8 Å²	151.8	82%	0.822	74%	0.743	S	S	*	*	S	Bend	trans	-102.1	-49.9	177.1	-77.6	-168.8	-33.1	0	0	114.7	Y1224	Q1222-Y1224 PolarHBondContact O-N 3.32Å
1223	D	39	Very low	40.9	Very low	151 Å²	151	158.8 Å²	158.8	81%	0.807	78%	0.778	S	S	*	*	G	3₁₀ helix	trans	-75.4	-27	-168	-63.1	-46.6	0	0	0	115.7	K1225	D1223-K1225 PolarHBondContact O-N 3.38Å
1224	Y	42.3	Very low	40	Very low	196 Å²	196	162.3 Å²	162.3	77%	0.769	79%	0.79	S	S	*	*	G	3₁₀ helix	trans	-73.9	-7	-177.7	-105.2	-93	0	0	0	114.8	Q1222 H1226	Q1222-Y1224 PolarHBondContact O-N 3.32Å; Y1224-H1226 VanDerWaalsContact C-N 3.26Å; Y1224-H1226 PolarHBondContact O-N 3.04Å
1225	K	36	Very low	39	Very low	169 Å²	169	161.6 Å²	161.6	74%	0.735	79%	0.792	S	S	*	*	G	3₁₀ helix	trans	-70.2	-17	-171.4	-163.3	171.6	-179	-178.9	0	114.3	D1223	D1223-K1225 PolarHBondContact O-N 3.38Å
1226	H	37.5	Very low	38.4	Very low	185 Å²	185	160.6 Å²	160.6	86%	0.856	80%	0.797	S	S	*	*	G	3₁₀ helix	trans	-97.2	-4.4	-167.6	-136	-53.9	0	0	0	116.2	Y1224	Y1224-H1226 VanDerWaalsContact C-N 3.26Å; Y1224-H1226 PolarHBondContact O-N 3.04Å
1227	S	39.5	Very low	37.6	Very low	98 Å²	98	159.1 Å²	159.1	69%	0.685	80%	0.8	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.3	-29.5	-172.7	-167.4	0	0	0	0	114.9	H1229	S1227-H1229 VanDerWaalsContact C-N 3.33Å; S1227-H1229 PolarHBondContact O-N 3.02Å
1228	L	35.5	Very low	37.6	Very low	128 Å²	128	165.2 Å²	165.2	67%	0.67	81%	0.811	S	S	*	*	S	Bend	trans	-79	-4.7	-171.5	-113.9	78	0	0	0	115.9	V1230	L1228-V1230 PolarHBondContact O-N 3.15Å
1229	H	37.4	Very low	37.4	Very low	167 Å²	167	163.4 Å²	163.4	77%	0.773	81%	0.809	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	10.2	-160.6	-128.6	-54	0	0	0	116.2	S1227	S1227-H1229 VanDerWaalsContact C-N 3.33Å; S1227-H1229 PolarHBondContact O-N 3.02Å
1230	V	40.2	Very low	37.5	Very low	124 Å²	124	163.2 Å²	163.2	75%	0.752	81%	0.811	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.8	-15	-165.3	-178	0	0	0	0	114.6	L1228	L1228-V1230 PolarHBondContact O-N 3.15Å
1231	N	37.9	Very low	37.3	Very low	154 Å²	154	165.5 Å²	165.5	82%	0.824	81%	0.811	S	S	*	*	S	Bend	trans	-120.1	37.6	-178.1	-70.8	-48.4	0	0	0	113
1232	L	31.1	Very low	37.6	Very low	155 Å²	155	161.7 Å²	161.7	81%	0.812	81%	0.81	S	S	*	*			trans	-138.8	46.6	-179.6	-103.3	159.4	0	0	0	112
1233	I	36.5	Very low	37.5	Very low	237 Å²	237	160.4 Å²	160.4	100%	1.215	81%	0.809	S	S	*	*			trans	-131.3	0	153.5	-59.2	-179.3	0	0	0	105.7

Retrieved 1,233 of 1,233 residues in 1506 ms (Link to these results)

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