A0A087Y1F7_POEFO Loading...

phosphatidylinositol-3,4,5-trisphosphate 5-phosphatase

AlphaFold DB , UniProt , Accession A0A087Y1F7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,215 aa.

						>A0A087Y1F7_POEFO|A0A087Y1F7
MASASWYHRDISRVRAEDLLARAGRDGSYLVRDSESVPGAYALCLLFQCHVHTYRILPDPDGLLAVQTTQGVQVNCFRTLEDLVLGYQQPHKGLVIPLLYAVPHDTDTGDESSDDEKPSPVQAPVNTVSLVGTPTKPATQALFLEKLLEMNTSNIAGEVIGLLNDYLFSDLPLDIENVHKGGTTLNHLKRTLATACQGLNSEIDLTLSSLETLAKVFDHPSCSLTPSKAQGPEKEIDSLLCKISALISLLSSLEKKVLQALQDAVTNHNLAVQPSQPPPNPAPTIVTPAKNNTRQLSVHSFQVKMVRYGRQIVSVDVDTGVLLFDRKSSSFGIEKVSHNRILQIVKFQNHPAKIRMVVDSYHSTPREMTFESSRKCDSFCQLLLLMKSRHSQLDEPDMVSVFVGTWNMGGSPPPRTLQSWVTCCGLGHTPDESTALLPHDIYALGTQENPQGEREWTEQIKATLRSYTQIDFKLVAVQSLWNMRLAVFVNPEHESRVSHVNTASVKTGLGNTLGNKGGVGVSFLFNGTSFGFVNCHLTSGSDKVLRRNQSFVDILRLLSLGDKHLSAFDISLRFTHLFWCGDLNYRVDLDVQDILKHVSKREFEELMFADQLTRERQRRKAFFNFKEEKIAFPPTYRYERGSRDCYLWQKYKTSGVRVNVPSWCDRILWKSYPETHITCTAYGCTDDIFTSDHSPVFATFQVGVMSPCSRSDSSSSVERAWIELEEIDTIVKTASKSKFFIEFHSSCLEETQRSSENNLQCCDVPGFLKLGWTCKQLPKLIPVASDLEYLQDQHLLLSVKSCDGYESYGECCVALRSVMGSSQKFETFLTHRGEEMGSIRGRVRVHVPKDRRGTRKKIYDLFCFEKDDKGPGRGHVPHAAARITVTRPSGVPAKPTVSSYTNPAYFIFEGVSVPHRVEEALPQRRDPQVIWSGNEALQLPKVSGRQGFDRRPCHRSDFTEIEIPAILSQCNLTKDLHPSQTNSSYQLFPAQSQSPVSPSSRNAVPQFQEQSSQIREKYQGKLNVHDSMQPESSMCINHSEIIHKNAIRDKHQLHPGRRNAMHHKSPSLLPYTPASLTHCQHSVSWIVEKQPPTGDNSLTALQIAKSLSEVDFFPSKERGPSAVRQRASYGNGPSMHGDRGCVWDKEVSVLKGAPETVQELLSTLGLQKYTLGLSLSGWDDLDYFSGITEEDLCAAGVTNPSHRRRILENLPRNWN
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	47	Very low	72.8	Confident	145 Å²	145	70.3 Å²	70.3	71%	0.714	40%	0.401	S	S	*	.				0	83.5	0	-62.4	-173.2	-108.8	0	0	109.2	R9	M1-R9 PolarHBondContact O-NH2 2.85Å
2	A	38.7	Very low	73.6	Confident	89 Å²	89	68.9 Å²	68.9	74%	0.736	40%	0.399	S	S	*	.			trans	-159	29.8	-175.2	0	0	0	0	0	112.8
3	S	54.8	Low	74.3	Confident	113 Å²	113	69.2 Å²	69.2	79%	0.79	39%	0.39	S	S	*	.			trans	-149	9.9	-169.8	55.6	0	0	0	0	114
4	A	71.9	Confident	74.6	Confident	19 Å²	19	71.9 Å²	71.9	16%	0.157	41%	0.408	C	S	.	.			trans	-99.6	115.3	177.4	0	0	0	0	0	108.7	W6 Y7	A4-W6 HydrophobicContact CB-CD2 4.2Å; A4-W6 HydrophobicContact CB-CH2 4.32Å; A4-W6 HydrophobicContact CB-CZ2 3.8Å; A4-W6 PolarHBondContact O-N 3.34Å; A4-W6 VanDerWaalsContact O-N 3.1Å; A4-Y7 PolarHBondContact O-N 3.35Å
5	S	78.1	Confident	75.2	Confident	61 Å²	61	73.1 Å²	73.1	43%	0.427	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-24.8	-172.9	51.7	0	0	0	0	114.4	H8 V102 P103	S5-H8 PolarHBondContact O-NE2 3.22Å; S5-V102 VanDerWaalsContact O-O 3.11Å; S5-P103 WeakPolarHBondContact O-CA 3.14Å
6	W	88.7	Confident	75.8	Confident	28 Å²	28	68.6 Å²	68.6	11%	0.106	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-4.2	176	50.3	-100.3	0	0	0	114.5	A4 Y29 L30 V31 L80 E81 V84 A101	A4-W6 HydrophobicContact CB-CD2 4.2Å; A4-W6 HydrophobicContact CB-CH2 4.32Å; A4-W6 HydrophobicContact CB-CZ2 3.8Å; A4-W6 PolarHBondContact O-N 3.34Å; A4-W6 VanDerWaalsContact O-N 3.1Å; W6-Y29 HydrophobicContact CB-CD2 4.42Å; W6-Y29 HydrophobicContact CB-CE2 3.94Å; W6-Y29 HydrophobicContact CD2-CE2 4.4Å; W6-Y29 AromaticContact CG-CE2 3.96Å; W6-Y29 HydrophobicContact CG-CE2 3.96Å; W6-L30 CarbonylContact O-C 3.49Å; W6-L30 WeakPolarHBondContact O-CA 3.3Å; W6-L30 WeakPolarHBondContact O-CB 3.16Å; W6-V31 HydrophobicContact CE3-CB 3.87Å; W6-V31 HydrophobicContact CE3-CG2 3.69Å; W6-V31 HydrophobicContact CZ3-CB 3.92Å; W6-V31 HydrophobicContact CZ3-CG2 3.75Å; W6-V31 PolarHBondContact O-N 3.11Å; W6-L80 HydrophobicContact CH2-CB 3.87Å; W6-L80 HydrophobicContact CZ3-CB 4.22Å; W6-E81 HydrophobicContact CH2-CG 4.25Å; W6-E81 HydrophobicContact CZ2-CG 3.88Å; W6-V84 HydrophobicContact CD2-CG2 4.21Å; W6-V84 HydrophobicContact CE3-CG2 4Å; W6-V84 HydrophobicContact CH2-CB 4.34Å; W6-V84 HydrophobicContact CH2-CG2 3.73Å; W6-V84 HydrophobicContact CZ2-CB 4.12Å; W6-V84 HydrophobicContact CZ2-CG1 4.39Å; W6-V84 HydrophobicContact CZ2-CG2 3.91Å; W6-V84 HydrophobicContact CZ3-CG2 3.76Å; W6-A101 HydrophobicContact CB-CB 3.93Å; W6-A101 HydrophobicContact CG-CB 4.45Å
7	Y	91.5	Very high	76.4	Confident	20 Å²	20	67.4 Å²	67.4	8%	0.078	37%	0.369	C	S	.	.	B	Isolated β-bridge	trans	-105.7	93	-175.2	175.7	-128.2	0	0	0	112.8	A4 R9 V31 D33 Y41 L80 H104	A4-Y7 PolarHBondContact O-N 3.35Å; Y7-R9 PolarHBondContact O-N 3.18Å; Y7-V31 CarbonylContact C-O 3.58Å; Y7-V31 WeakPolarHBondContact CA-O 3.36Å; Y7-V31 HydrophobicContact CD2-CB 4.24Å; Y7-V31 HydrophobicContact CD2-CG1 4.12Å; Y7-D33 WeakPolarHBondContact CE2-OD1 3.39Å; Y7-D33 PolarHBondContact OH-OD1 2.86Å; Y7-Y41 HydrophobicContact CE2-CD1 4.1Å; Y7-Y41 HydrophobicContact CE2-CE1 4.14Å; Y7-Y41 WeakPolarHBondContact OH-CE1 3.27Å; Y7-L80 HydrophobicContact CD2-CD1 4.33Å; Y7-L80 HydrophobicContact CE2-CD1 4.2Å; Y7-H104 PolarHBondContact O-CE1 3.13Å; Y7-H104 VanDerWaalsContact O-CE1 3.31Å
8	H	89.4	Confident	76.9	Confident	7 Å²	7	66.9 Å²	66.9	3%	0.032	37%	0.366	C	S	.	.			trans	-96.1	82.8	-177.3	-61.9	-119.8	0	0	0	110.2	S5 D10 I11 V31 R32 V102 P103 H104	S5-H8 PolarHBondContact O-NE2 3.22Å; H8-D10 PolarHBondContact O-N 3.04Å; H8-I11 HydrophobicContact CB-CB 4.44Å; H8-I11 HydrophobicContact CB-CD1 3.5Å; H8-I11 VanDerWaalsContact CB-CD1 3.5Å; H8-I11 HydrophobicContact CB-CG1 3.65Å; H8-I11 HydrophobicContact CB-CG2 4.03Å; H8-V31 PolarHBondContact N-O 2.93Å; H8-R32 VanDerWaalsContact O-CA 3.27Å; H8-R32 WeakPolarHBondContact O-CA 3.38Å; H8-R32 WeakPolarHBondContact O-CB 3.34Å; H8-V102 PolarHBondContact NE2-O 3.47Å; H8-P103 VanDerWaalsContact CE1-C 3.49Å; H8-P103 PolarHBondContact CE1-O 3.01Å; H8-H104 AromaticContact CD2-CE1 3.97Å; H8-H104 AromaticContact CD2-ND1 3.8Å; H8-H104 AromaticContact CE1-ND1 3.34Å; H8-H104 PolarHBondContact CE1-ND1 3.22Å; H8-H104 VanDerWaalsContact CE1-ND1 3.34Å; H8-H104 AromaticContact CG-CE1 3.77Å; H8-H104 AromaticContact CG-ND1 3.46Å; H8-H104 AromaticContact ND1-CE1 3.92Å; H8-H104 AromaticContact ND1-ND1 3.13Å; H8-H104 PolarHBondContact ND1-ND1 3.11Å; H8-H104 VanDerWaalsContact ND1-ND1 3.13Å; H8-H104 AromaticContact NE2-ND1 3.7Å
9	R	78.8	Confident	77.4	Confident	111 Å²	111	63.7 Å²	63.7	42%	0.419	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.5	-60.4	-174.1	-171.6	-177.4	-62.7	159.2	2.2	113.7	M1 Y7 D33	M1-R9 PolarHBondContact O-NH2 2.85Å; Y7-R9 PolarHBondContact O-N 3.18Å; R9-D33 WeakPolarHBondContact CG-OD2 3.3Å; R9-D33 WeakPolarHBondContact O-CB 2.95Å; R9-D33 PolarHBondContact O-N 3.02Å; R9-D33 VanDerWaalsContact O-N 3.11Å
10	D	76.3	Confident	77.9	Confident	141 Å²	141	60.6 Å²	60.6	75%	0.754	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.6	21.3	-163.4	-53.1	-74.2	0	0	0	114.9	H8	H8-D10 PolarHBondContact O-N 3.04Å
11	I	85.7	Confident	78	Confident	39 Å²	39	60.9 Å²	60.9	20%	0.2	34%	0.342	C	S	.	.			trans	-88.4	143.4	177.3	71.2	170.4	0	0	0	112.6	H8 R15 A16 L19 L30 R32	H8-I11 HydrophobicContact CB-CB 4.44Å; H8-I11 HydrophobicContact CB-CD1 3.5Å; H8-I11 VanDerWaalsContact CB-CD1 3.5Å; H8-I11 HydrophobicContact CB-CG1 3.65Å; H8-I11 HydrophobicContact CB-CG2 4.03Å; I11-R15 HydrophobicContact CB-CB 4.4Å; I11-R15 HydrophobicContact CB-CG 4.44Å; I11-A16 HydrophobicContact CD1-CB 3.81Å; I11-A16 HydrophobicContact CG1-CB 4.41Å; I11-L19 HydrophobicContact CD1-CD1 3.78Å; I11-L30 HydrophobicContact CD1-CD1 3.99Å; I11-L30 HydrophobicContact CD1-CD2 4.02Å; I11-R32 HydrophobicContact CG1-CB 4.08Å
12	S	82.8	Confident	79.6	Confident	54 Å²	54	59.9 Å²	59.9	38%	0.378	33%	0.331	S	S	.	.			trans	-71.5	162	175.4	69.7	0	0	0	0	112.5	V14 R15 A16 E35	S12-V14 PolarHBondContact O-N 2.77Å; S12-R15 PolarHBondContact O-N 3.17Å; S12-R15 PolarHBondContact OG-N 3.15Å; S12-A16 PolarHBondContact O-N 3.13Å; S12-E35 VanDerWaalsContact CA-OE1 3.25Å; S12-E35 WeakPolarHBondContact CA-OE1 3.18Å
13	R	82	Confident	81.8	Confident	73 Å²	73	57.6 Å²	57.6	28%	0.275	31%	0.312	S	S	.	.	H	α-helix	trans	-50	-46.8	171.4	-175	175.7	165.3	-141.5	-21.1	111.8	R15 A16 E17 R32 E35 D1095	R13-R15 PolarHBondContact O-N 3.43Å; R13-A16 WeakPolarHBondContact O-CB 3.39Å; R13-A16 PolarHBondContact O-N 2.94Å; R13-E17 HydrophobicContact CG-CG 4.43Å; R13-E17 IonicContact CZ-OE1 2.88Å; R13-E17 IonicContact NE-OE1 2.95Å; R13-E17 PolarHBondContact NE-OE1 3.23Å; R13-E17 IonicContact NE-OE2 3.61Å; R13-E17 IonicContact NH2-OE1 2.67Å; R13-E17 PolarHBondContact NH2-OE1 2.69Å; R13-E17 IonicContact NH2-OE2 2.67Å; R13-E17 WeakPolarHBondContact O-CG 3.25Å; R13-E17 PolarHBondContact O-N 2.9Å; R13-R32 VanDerWaalsContact CB-NH2 3.34Å; R13-E35 PolarHBondContact N-OE1 3.35Å; R13-D1095 IonicContact NH1-OD1 3.91Å; R13-D1095 IonicContact NH2-OD1 2.75Å
14	V	78.4	Confident	83.1	Confident	106 Å²	106	55.1 Å²	55.1	64%	0.642	30%	0.304	S	S	*	.	H	α-helix	trans	-65.5	-39.8	-176.5	-176.5	0	0	0	0	111.3	S12 E17 D18	S12-V14 PolarHBondContact O-N 2.77Å; V14-E17 PolarHBondContact O-N 3.23Å; V14-D18 VanDerWaalsContact O-CB 3.27Å; V14-D18 WeakPolarHBondContact O-CB 3.14Å; V14-D18 PolarHBondContact O-N 2.72Å
15	R	84.3	Confident	83.9	Confident	91 Å²	91	61 Å²	61	34%	0.343	32%	0.322	S	S	.	.	H	α-helix	trans	-70.8	-32.9	175.9	-174.9	52.9	171	-155.2	-9.2	112.2	I11 S12 R13 D18 L19 D105	I11-R15 HydrophobicContact CB-CB 4.4Å; I11-R15 HydrophobicContact CB-CG 4.44Å; S12-R15 PolarHBondContact O-N 3.17Å; S12-R15 PolarHBondContact OG-N 3.15Å; R13-R15 PolarHBondContact O-N 3.43Å; R15-D18 VanDerWaalsContact CD-OD2 3.25Å; R15-D18 WeakPolarHBondContact CD-OD2 3.37Å; R15-D18 IonicContact CZ-OD2 3.33Å; R15-D18 IonicContact NE-OD2 3.4Å; R15-D18 IonicContact NH1-OD2 2.72Å; R15-D18 PolarHBondContact NH1-OD2 3.03Å; R15-L19 HydrophobicContact CG-CD1 4.18Å; R15-L19 VanDerWaalsContact O-CB 3.31Å; R15-L19 WeakPolarHBondContact O-CB 3.45Å; R15-L19 WeakPolarHBondContact O-CD1 3.42Å; R15-L19 WeakPolarHBondContact O-CG 3.45Å; R15-L19 PolarHBondContact O-N 2.78Å; R15-D105 IonicContact CZ-OD2 3.38Å; R15-D105 IonicContact NE-OD2 2.72Å; R15-D105 IonicContact NH2-OD2 3.2Å; R15-D105 PolarHBondContact NH2-OD2 3.01Å
16	A	85.1	Confident	84.5	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-65.6	-41.4	172.1	0	0	0	0	0	112.4	I11 S12 R13 L20 L30	I11-A16 HydrophobicContact CD1-CB 3.81Å; I11-A16 HydrophobicContact CG1-CB 4.41Å; S12-A16 PolarHBondContact O-N 3.13Å; R13-A16 WeakPolarHBondContact O-CB 3.39Å; R13-A16 PolarHBondContact O-N 2.94Å; A16-L20 WeakPolarHBondContact O-CB 3.22Å; A16-L20 WeakPolarHBondContact O-CD1 3.38Å; A16-L20 WeakPolarHBondContact O-CG 3.3Å; A16-L20 PolarHBondContact O-N 2.71Å; A16-L30 HydrophobicContact CB-CD1 3.93Å; A16-L30 HydrophobicContact CB-CD2 4.33Å
17	E	85.4	Confident	84.4	Confident	48 Å²	48	59.4 Å²	59.4	22%	0.224	31%	0.311	C	S	.	.	H	α-helix	trans	-67.1	-41	176.3	-72	171.7	165.7	0	0	111.7	R13 V14 L20 A21 V51	R13-E17 HydrophobicContact CG-CG 4.43Å; R13-E17 IonicContact CZ-OE1 2.88Å; R13-E17 IonicContact NE-OE1 2.95Å; R13-E17 PolarHBondContact NE-OE1 3.23Å; R13-E17 IonicContact NE-OE2 3.61Å; R13-E17 IonicContact NH2-OE1 2.67Å; R13-E17 PolarHBondContact NH2-OE1 2.69Å; R13-E17 IonicContact NH2-OE2 2.67Å; R13-E17 WeakPolarHBondContact O-CG 3.25Å; R13-E17 PolarHBondContact O-N 2.9Å; V14-E17 PolarHBondContact O-N 3.23Å; E17-L20 PolarHBondContact O-N 3.19Å; E17-A21 VanDerWaalsContact O-CB 3.28Å; E17-A21 WeakPolarHBondContact O-CB 3.41Å; E17-A21 PolarHBondContact O-N 2.79Å; E17-V51 HydrophobicContact CG-CB 4.03Å; E17-V51 HydrophobicContact CG-CG1 3.92Å; E17-V51 HydrophobicContact CG-CG2 4.34Å
18	D	85.3	Confident	84.6	Confident	59 Å²	59	58.6 Å²	58.6	32%	0.316	31%	0.308	S	S	.	.	H	α-helix	trans	-61.4	-48.6	172.7	167.9	45.6	0	0	0	112.8	V14 R15 L20 A21 R22	V14-D18 VanDerWaalsContact O-CB 3.27Å; V14-D18 WeakPolarHBondContact O-CB 3.14Å; V14-D18 PolarHBondContact O-N 2.72Å; R15-D18 VanDerWaalsContact CD-OD2 3.25Å; R15-D18 WeakPolarHBondContact CD-OD2 3.37Å; R15-D18 IonicContact CZ-OD2 3.33Å; R15-D18 IonicContact NE-OD2 3.4Å; R15-D18 IonicContact NH1-OD2 2.72Å; R15-D18 PolarHBondContact NH1-OD2 3.03Å; D18-L20 VanDerWaalsContact C-N 3.34Å; D18-L20 PolarHBondContact O-N 2.88Å; D18-A21 PolarHBondContact O-N 2.69Å; D18-R22 PolarHBondContact O-N 2.75Å; D18-R22 IonicContact OD1-CZ 3.56Å; D18-R22 IonicContact OD1-NH1 2.73Å; D18-R22 PolarHBondContact OD1-NH1 2.8Å; D18-R22 IonicContact OD2-CZ 2.84Å; D18-R22 IonicContact OD2-NH1 3.5Å; D18-R22 PolarHBondContact OD2-NH1 2.82Å
19	L	86.9	Confident	84.9	Confident	7 Å²	7	58.7 Å²	58.7	4%	0.037	31%	0.308	C	S	.	.	H	α-helix	trans	-57.6	-43.9	174.4	-85.7	164.4	0	0	0	112.5	I11 R15 R22 A23 L30 V102 D105	I11-L19 HydrophobicContact CD1-CD1 3.78Å; R15-L19 HydrophobicContact CG-CD1 4.18Å; R15-L19 VanDerWaalsContact O-CB 3.31Å; R15-L19 WeakPolarHBondContact O-CB 3.45Å; R15-L19 WeakPolarHBondContact O-CD1 3.42Å; R15-L19 WeakPolarHBondContact O-CG 3.45Å; R15-L19 PolarHBondContact O-N 2.78Å; L19-R22 PolarHBondContact O-N 2.82Å; L19-A23 PolarHBondContact O-N 2.86Å; L19-A23 VanDerWaalsContact O-N 3.09Å; L19-L30 HydrophobicContact CB-CD2 4.16Å; L19-L30 HydrophobicContact CD1-CD2 4.14Å; L19-V102 HydrophobicContact CB-CG1 4.31Å; L19-V102 HydrophobicContact CD2-CG1 4.2Å; L19-D105 WeakPolarHBondContact CD2-OD2 3.08Å
20	L	87.6	Confident	85.6	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-70.7	-39.9	178.2	-74.7	166.8	0	0	0	111.9	A16 E17 D18 R22 A23 G24 S28 L30 C44 L46 V51 V102	A16-L20 WeakPolarHBondContact O-CB 3.22Å; A16-L20 WeakPolarHBondContact O-CD1 3.38Å; A16-L20 WeakPolarHBondContact O-CG 3.3Å; A16-L20 PolarHBondContact O-N 2.71Å; E17-L20 PolarHBondContact O-N 3.19Å; D18-L20 VanDerWaalsContact C-N 3.34Å; D18-L20 PolarHBondContact O-N 2.88Å; L20-R22 VanDerWaalsContact C-N 3.32Å; L20-R22 PolarHBondContact O-N 3.16Å; L20-A23 WeakPolarHBondContact O-CB 3.42Å; L20-A23 PolarHBondContact O-N 3Å; L20-A23 VanDerWaalsContact O-N 3.1Å; L20-G24 PolarHBondContact O-N 3.04Å; L20-G24 VanDerWaalsContact O-N 3.16Å; L20-S28 VanDerWaalsContact CD2-O 3.3Å; L20-S28 WeakPolarHBondContact CD2-O 3.35Å; L20-L30 HydrophobicContact CG-CD2 4.44Å; L20-C44 HydrophobicContact CD1-CB 3.54Å; L20-L46 HydrophobicContact CB-CB 4.44Å; L20-L46 HydrophobicContact CD2-CB 4.35Å; L20-L46 WeakPolarHBondContact O-CD2 3.43Å; L20-V51 HydrophobicContact CB-CG2 3.86Å; L20-V51 HydrophobicContact CD1-CG1 3.65Å; L20-V51 HydrophobicContact CD1-CG2 4.15Å; L20-V102 HydrophobicContact CD2-CG2 3.81Å
21	A	79	Confident	86.4	Confident	68 Å²	68	46.7 Å²	46.7	56%	0.562	25%	0.252	S	S	*	.	H	α-helix	trans	-60.9	-39.6	173.8	0	0	0	0	0	112	E17 D18 G24	E17-A21 VanDerWaalsContact O-CB 3.28Å; E17-A21 WeakPolarHBondContact O-CB 3.41Å; E17-A21 PolarHBondContact O-N 2.79Å; D18-A21 PolarHBondContact O-N 2.69Å; A21-G24 PolarHBondContact O-N 2.86Å
22	R	81.4	Confident	86.8	Confident	123 Å²	123	45.2 Å²	45.2	46%	0.464	24%	0.244	S	C	.	.	H	α-helix	trans	-64.4	-35.2	171.6	-73.5	-156.5	-63.1	-84.6	7.4	113.2	D18 L19 L20 G24 D105	D18-R22 PolarHBondContact O-N 2.75Å; D18-R22 IonicContact OD1-CZ 3.56Å; D18-R22 IonicContact OD1-NH1 2.73Å; D18-R22 PolarHBondContact OD1-NH1 2.8Å; D18-R22 IonicContact OD2-CZ 2.84Å; D18-R22 IonicContact OD2-NH1 3.5Å; D18-R22 PolarHBondContact OD2-NH1 2.82Å; L19-R22 PolarHBondContact O-N 2.82Å; L20-R22 VanDerWaalsContact C-N 3.32Å; L20-R22 PolarHBondContact O-N 3.16Å; R22-G24 VanDerWaalsContact C-N 3.27Å; R22-G24 PolarHBondContact O-N 3.25Å; R22-D105 IonicContact NH2-OD1 2.72Å; R22-D105 PolarHBondContact NH2-OD1 3.02Å; R22-D105 IonicContact NH2-OD2 2.71Å; R22-D105 PolarHBondContact NH2-OD2 3.1Å
23	A	85.1	Confident	87.1	Confident	41 Å²	41	45.2 Å²	45.2	34%	0.339	24%	0.24	S	C	.	.	H	α-helix	trans	-67.2	-28.2	176.6	0	0	0	0	0	112.8	L19 L20 R25 V102	L19-A23 PolarHBondContact O-N 2.86Å; L19-A23 VanDerWaalsContact O-N 3.09Å; L20-A23 WeakPolarHBondContact O-CB 3.42Å; L20-A23 PolarHBondContact O-N 3Å; L20-A23 VanDerWaalsContact O-N 3.1Å; A23-R25 PolarHBondContact O-N 2.78Å; A23-V102 HydrophobicContact CB-CG2 3.97Å
24	G	81.8	Confident	87.1	Confident	61 Å²	61	42.3 Å²	42.3	63%	0.629	23%	0.231	S	C	*	.			trans	62.6	9.9	163.6	0	0	0	0	0	116.8	L20 A21 R22	L20-G24 PolarHBondContact O-N 3.04Å; L20-G24 VanDerWaalsContact O-N 3.16Å; A21-G24 PolarHBondContact O-N 2.86Å; R22-G24 VanDerWaalsContact C-N 3.27Å; R22-G24 PolarHBondContact O-N 3.25Å
25	R	88.5	Confident	87.1	Confident	143 Å²	143	42.9 Å²	42.9	54%	0.54	23%	0.227	S	C	.	.	S	Bend	trans	-130.7	125	-170.9	-173	-171.7	-63	178.8	-1.4	111.8	A23 S28 Y100	A23-R25 PolarHBondContact O-N 2.78Å; R25-S28 WeakPolarHBondContact O-CB 3.46Å; R25-S28 PolarHBondContact O-N 3.15Å; R25-S28 PolarHBondContact O-OG 2.86Å; R25-Y100 VanDerWaalsContact CD-CD2 3.41Å; R25-Y100 HydrophobicContact CG-CD2 3.92Å; R25-Y100 HydrophobicContact CG-CE2 3.77Å
26	D	90.1	Very high	86.5	Confident	55 Å²	55	42.2 Å²	42.2	29%	0.294	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	138.1	176.4	-79	12.2	0	0	0	112.2	S28 F47 Q48 I96 Y100	D26-S28 VanDerWaalsContact C-N 3.33Å; D26-F47 HydrophobicContact CB-CD2 4.13Å; D26-F47 WeakPolarHBondContact OD1-CA 3.42Å; D26-F47 VanDerWaalsContact OD2-CD2 3.26Å; D26-F47 WeakPolarHBondContact OD2-CD2 3.41Å; D26-Q48 PolarHBondContact OD1-N 2.95Å; D26-Q48 PolarHBondContact OD2-N 2.82Å; D26-I96 HydrophobicContact CB-CD1 3.99Å; D26-Y100 WeakPolarHBondContact O-CD2 3.39Å; D26-Y100 VanDerWaalsContact O-CE2 3.32Å; D26-Y100 WeakPolarHBondContact O-CE2 3Å
27	G	87.1	Confident	86	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.5	2.1	-171.5	0	0	0	0	0	114.5	L46 L99 Y100	G27-L46 PolarHBondContact N-O 2.94Å; G27-L99 PolarHBondContact O-N 3Å; G27-Y100 PolarHBondContact O-N 3.01Å
28	S	95.1	Very high	85.5	Confident	4 Å²	4	48.5 Å²	48.5	3%	0.028	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	137.3	169.8	-59.6	0	0	0	0	111.2	L20 R25 D26 L45 L46 Y100	L20-S28 VanDerWaalsContact CD2-O 3.3Å; L20-S28 WeakPolarHBondContact CD2-O 3.35Å; R25-S28 WeakPolarHBondContact O-CB 3.46Å; R25-S28 PolarHBondContact O-N 3.15Å; R25-S28 PolarHBondContact O-OG 2.86Å; D26-S28 VanDerWaalsContact C-N 3.33Å; S28-L45 CarbonylContact O-C 3.51Å; S28-L45 WeakPolarHBondContact O-CA 3.41Å; S28-L45 WeakPolarHBondContact O-CD1 3.46Å; S28-L46 PolarHBondContact O-N 2.85Å; S28-Y100 CarbonylContact C-O 3.55Å; S28-Y100 VanDerWaalsContact CA-O 3.24Å; S28-Y100 WeakPolarHBondContact CA-O 3.44Å
29	Y	95.3	Very high	85.2	Confident	8 Å²	8	48.7 Å²	48.7	3%	0.031	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	157.7	-173.9	74.5	-80.8	0	0	0	114.8	W6 L43 C44 V84 Q88 L98 Y100 A101 V102	W6-Y29 HydrophobicContact CB-CD2 4.42Å; W6-Y29 HydrophobicContact CB-CE2 3.94Å; W6-Y29 HydrophobicContact CD2-CE2 4.4Å; W6-Y29 AromaticContact CG-CE2 3.96Å; W6-Y29 HydrophobicContact CG-CE2 3.96Å; Y29-L43 HydrophobicContact CD2-CD1 4.19Å; Y29-C44 WeakPolarHBondContact CA-O 3.37Å; Y29-C44 WeakPolarHBondContact CB-O 3.15Å; Y29-V84 HydrophobicContact CE2-CG1 3.7Å; Y29-V84 HydrophobicContact CE2-CG2 4.3Å; Y29-V84 WeakPolarHBondContact OH-CG1 3.46Å; Y29-Q88 PolarHBondContact OH-NE2 2.67Å; Y29-L98 HydrophobicContact CD1-CB 3.73Å; Y29-L98 HydrophobicContact CD1-CD2 4.34Å; Y29-L98 HydrophobicContact CD2-CB 4.3Å; Y29-L98 HydrophobicContact CD2-CD1 4.03Å; Y29-L98 HydrophobicContact CD2-CD2 4.23Å; Y29-L98 HydrophobicContact CD2-CG 4.41Å; Y29-L98 HydrophobicContact CE1-CB 3.72Å; Y29-L98 HydrophobicContact CE2-CB 4.3Å; Y29-L98 HydrophobicContact CE2-CD1 4.1Å; Y29-L98 HydrophobicContact CG-CB 4.03Å; Y29-L98 HydrophobicContact CG-CD1 4.44Å; Y29-L98 HydrophobicContact CG-CD2 3.89Å; Y29-L98 HydrophobicContact CG-CG 4.33Å; Y29-Y100 VanDerWaalsContact CD1-O 3.32Å; Y29-Y100 WeakPolarHBondContact CD1-O 3.45Å; Y29-Y100 PolarHBondContact N-O 3.4Å; Y29-A101 HydrophobicContact CE1-CB 4.16Å; Y29-V102 PolarHBondContact O-N 2.84Å
30	L	95.2	Very high	85.1	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	162.1	165.2	65.2	81.4	0	0	0	110.7	W6 I11 A16 L19 L20 R32 C44 V102	W6-L30 CarbonylContact O-C 3.49Å; W6-L30 WeakPolarHBondContact O-CA 3.3Å; W6-L30 WeakPolarHBondContact O-CB 3.16Å; I11-L30 HydrophobicContact CD1-CD1 3.99Å; I11-L30 HydrophobicContact CD1-CD2 4.02Å; A16-L30 HydrophobicContact CB-CD1 3.93Å; A16-L30 HydrophobicContact CB-CD2 4.33Å; L19-L30 HydrophobicContact CB-CD2 4.16Å; L19-L30 HydrophobicContact CD1-CD2 4.14Å; L20-L30 HydrophobicContact CG-CD2 4.44Å; L30-R32 HydrophobicContact CD1-CB 4.4Å; L30-C44 HydrophobicContact CD1-CB 4.15Å; L30-C44 HydrophobicContact CG-CB 4.39Å; L30-C44 PolarHBondContact N-O 2.94Å; L30-C44 PolarHBondContact O-N 2.97Å; L30-V102 HydrophobicContact CD2-CB 4.49Å
31	V	93.4	Very high	85.2	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	143.4	171.3	-178.3	0	0	0	0	108.7	W6 Y7 H8 A42 L43 L80 V84	W6-V31 HydrophobicContact CE3-CB 3.87Å; W6-V31 HydrophobicContact CE3-CG2 3.69Å; W6-V31 HydrophobicContact CZ3-CB 3.92Å; W6-V31 HydrophobicContact CZ3-CG2 3.75Å; W6-V31 PolarHBondContact O-N 3.11Å; Y7-V31 CarbonylContact C-O 3.58Å; Y7-V31 WeakPolarHBondContact CA-O 3.36Å; Y7-V31 HydrophobicContact CD2-CB 4.24Å; Y7-V31 HydrophobicContact CD2-CG1 4.12Å; H8-V31 PolarHBondContact N-O 2.93Å; V31-A42 WeakPolarHBondContact CA-O 3.13Å; V31-L43 HydrophobicContact CG2-CB 4.3Å; V31-L43 HydrophobicContact CG2-CD1 3.72Å; V31-L80 HydrophobicContact CG1-CD1 4.34Å; V31-L80 HydrophobicContact CG1-CD2 4.28Å; V31-V84 HydrophobicContact CG2-CG2 4.24Å
32	R	92.7	Very high	85.8	Confident	8 Å²	8	47.5 Å²	47.5	3%	0.03	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	173.5	176.9	64.8	179.6	-172.9	92.1	-9.6	111.3	H8 I11 R13 L30 E35 Y41 A42	H8-R32 VanDerWaalsContact O-CA 3.27Å; H8-R32 WeakPolarHBondContact O-CA 3.38Å; H8-R32 WeakPolarHBondContact O-CB 3.34Å; I11-R32 HydrophobicContact CG1-CB 4.08Å; R13-R32 VanDerWaalsContact CB-NH2 3.34Å; L30-R32 HydrophobicContact CD1-CB 4.4Å; R32-E35 IonicContact CZ-OE2 3.8Å; R32-E35 IonicContact NH1-OE1 2.75Å; R32-E35 IonicContact NH1-OE2 2.79Å; R32-E35 PolarHBondContact NH1-OE2 3.4Å; R32-E35 IonicContact NH2-OE2 3.49Å; R32-E35 PolarHBondContact NH2-OE2 3.46Å; R32-Y41 CarbonylContact O-C 3.55Å; R32-Y41 WeakPolarHBondContact O-CA 3.42Å; R32-A42 HydrophobicContact CG-CB 4.02Å; R32-A42 PolarHBondContact N-O 2.92Å; R32-A42 PolarHBondContact O-N 2.82Å
33	D	89.9	Confident	86.4	Confident	55 Å²	55	41.7 Å²	41.7	29%	0.294	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	149.2	173.5	-66.7	14.3	0	0	0	110.7	Y7 R9 E35 Y41	Y7-D33 WeakPolarHBondContact CE2-OD1 3.39Å; Y7-D33 PolarHBondContact OH-OD1 2.86Å; R9-D33 WeakPolarHBondContact CG-OD2 3.3Å; R9-D33 WeakPolarHBondContact O-CB 2.95Å; R9-D33 PolarHBondContact O-N 3.02Å; R9-D33 VanDerWaalsContact O-N 3.11Å; D33-E35 PolarHBondContact O-N 2.95Å; D33-Y41 WeakPolarHBondContact OD1-CD1 3.5Å; D33-Y41 WeakPolarHBondContact OD1-CE1 3.24Å
34	S	82.4	Confident	86.8	Confident	12 Å²	12	39.8 Å²	39.8	8%	0.084	24%	0.24	C	C	.	.			trans	-86	103.7	-174.4	165.9	0	0	0	0	112	S36 V37 A40	S34-S36 PolarHBondContact O-N 3.14Å; S34-S36 PolarHBondContact OG-N 2.86Å; S34-S36 PolarHBondContact OG-OG 2.88Å; S34-V37 CarbonylContact O-C 3.57Å; S34-V37 PolarHBondContact O-N 2.97Å; S34-V37 VanDerWaalsContact O-N 3.09Å; S34-V37 VanDerWaalsContact O-O 3.08Å; S34-V37 PolarHBondContact OG-N 2.65Å; S34-V37 VanDerWaalsContact OG-N 3.16Å; S34-A40 VanDerWaalsContact CB-O 3.22Å; S34-A40 WeakPolarHBondContact CB-O 3.47Å; S34-A40 PolarHBondContact N-O 3.14Å
35	E	78.4	Confident	87.3	Confident	118 Å²	118	36.9 Å²	36.9	55%	0.551	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.2	-30.5	170.7	-60.8	143.5	135.5	0	0	112.9	S12 R13 R32 D33	S12-E35 VanDerWaalsContact CA-OE1 3.25Å; S12-E35 WeakPolarHBondContact CA-OE1 3.18Å; R13-E35 PolarHBondContact N-OE1 3.35Å; R32-E35 IonicContact CZ-OE2 3.8Å; R32-E35 IonicContact NH1-OE1 2.75Å; R32-E35 IonicContact NH1-OE2 2.79Å; R32-E35 PolarHBondContact NH1-OE2 3.4Å; R32-E35 IonicContact NH2-OE2 3.49Å; R32-E35 PolarHBondContact NH2-OE2 3.46Å; D33-E35 PolarHBondContact O-N 2.95Å
36	S	71.1	Confident	87.4	Confident	76 Å²	76	30.4 Å²	30.4	53%	0.531	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-15.6	-174.1	66.4	0	0	0	0	115.6	S34 R55	S34-S36 PolarHBondContact O-N 3.14Å; S34-S36 PolarHBondContact OG-N 2.86Å; S34-S36 PolarHBondContact OG-OG 2.88Å; S36-R55 PolarHBondContact OG-NH2 3.47Å
37	V	75.2	Confident	87.3	Confident	50 Å²	50	29.8 Å²	29.8	30%	0.303	18%	0.181	S	C	.	.	S	Bend	trans	-153.9	106.8	-172.7	179.6	0	0	0	0	108.3	S34 G39 A40 L57	S34-V37 CarbonylContact O-C 3.57Å; S34-V37 PolarHBondContact O-N 2.97Å; S34-V37 VanDerWaalsContact O-N 3.09Å; S34-V37 VanDerWaalsContact O-O 3.08Å; S34-V37 PolarHBondContact OG-N 2.65Å; S34-V37 VanDerWaalsContact OG-N 3.16Å; V37-G39 PolarHBondContact O-N 3.49Å; V37-A40 HydrophobicContact CB-CB 3.88Å; V37-A40 HydrophobicContact CG1-CB 3.73Å; V37-A40 WeakPolarHBondContact O-CB 3.38Å; V37-A40 PolarHBondContact O-N 2.9Å; V37-L57 HydrophobicContact CG1-CD2 4.43Å
38	P	74.9	Confident	87	Confident	131 Å²	131	36 Å²	36	85%	0.851	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	135.4	177.6	-25.5	35.1	0	0	0	112.3	A40	P38-A40 VanDerWaalsContact C-N 3.27Å; P38-A40 PolarHBondContact O-N 3.08Å
39	G	78.6	Confident	86.2	Confident	62 Å²	62	41.7 Å²	41.7	64%	0.639	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	77	5	-179.3	0	0	0	0	0	115.5	V37	V37-G39 PolarHBondContact O-N 3.49Å
40	A	84.1	Confident	85	Confident	2 Å²	2	46.6 Å²	46.6	2%	0.017	27%	0.272	C	S	.	.			trans	-104.2	161	170.7	0	0	0	0	0	111.3	S34 V37 P38 I56 L57	S34-A40 VanDerWaalsContact CB-O 3.22Å; S34-A40 WeakPolarHBondContact CB-O 3.47Å; S34-A40 PolarHBondContact N-O 3.14Å; V37-A40 HydrophobicContact CB-CB 3.88Å; V37-A40 HydrophobicContact CG1-CB 3.73Å; V37-A40 WeakPolarHBondContact O-CB 3.38Å; V37-A40 PolarHBondContact O-N 2.9Å; P38-A40 VanDerWaalsContact C-N 3.27Å; P38-A40 PolarHBondContact O-N 3.08Å; A40-I56 WeakPolarHBondContact CB-O 3.43Å; A40-L57 HydrophobicContact CB-CD2 3.81Å
41	Y	90.4	Very high	84.6	Confident	44 Å²	44	48.4 Å²	48.4	17%	0.173	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	162.4	176.9	-52.4	-75	0	0	0	111.7	Y7 R32 D33 I56 L64 L80	Y7-Y41 HydrophobicContact CE2-CD1 4.1Å; Y7-Y41 HydrophobicContact CE2-CE1 4.14Å; Y7-Y41 WeakPolarHBondContact OH-CE1 3.27Å; R32-Y41 CarbonylContact O-C 3.55Å; R32-Y41 WeakPolarHBondContact O-CA 3.42Å; D33-Y41 WeakPolarHBondContact OD1-CD1 3.5Å; D33-Y41 WeakPolarHBondContact OD1-CE1 3.24Å; Y41-I56 HydrophobicContact CD2-CG2 4.47Å; Y41-I56 PolarHBondContact N-O 3.17Å; Y41-I56 PolarHBondContact O-N 2.75Å; Y41-L64 HydrophobicContact CD2-CD2 4.45Å; Y41-L64 HydrophobicContact CE2-CD1 4.38Å; Y41-L64 HydrophobicContact CE2-CD2 4.26Å; Y41-L80 HydrophobicContact CD1-CD1 4.06Å; Y41-L80 HydrophobicContact CD2-CD1 3.98Å; Y41-L80 HydrophobicContact CD2-CD2 3.79Å; Y41-L80 HydrophobicContact CD2-CG 4.18Å; Y41-L80 HydrophobicContact CE1-CD1 4.07Å; Y41-L80 HydrophobicContact CE2-CD1 3.96Å; Y41-L80 HydrophobicContact CE2-CD2 4.34Å; Y41-L80 HydrophobicContact CE2-CG 4.24Å; Y41-L80 HydrophobicContact CG-CD1 4.02Å; Y41-L80 HydrophobicContact CG-CD2 4.12Å
42	A	91.4	Very high	84.1	Confident	5 Å²	5	51 Å²	51	4%	0.041	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	117.1	175	0	0	0	0	0	110	V31 R32 T53 Y54	V31-A42 WeakPolarHBondContact CA-O 3.13Å; R32-A42 HydrophobicContact CG-CB 4.02Å; R32-A42 PolarHBondContact N-O 2.92Å; R32-A42 PolarHBondContact O-N 2.82Å; A42-T53 HydrophobicContact CB-CG2 3.91Å; A42-Y54 WeakPolarHBondContact CA-O 3.44Å
43	L	93	Very high	83.9	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	117	172.1	167.9	64.5	0	0	0	108.6	Y29 V31 T53 Y54 I56 L94 L98	Y29-L43 HydrophobicContact CD2-CD1 4.19Å; V31-L43 HydrophobicContact CG2-CB 4.3Å; V31-L43 HydrophobicContact CG2-CD1 3.72Å; L43-T53 CarbonylContact O-C 3.48Å; L43-T53 WeakPolarHBondContact O-CA 3.28Å; L43-Y54 PolarHBondContact N-O 2.89Å; L43-Y54 PolarHBondContact O-N 2.91Å; L43-I56 HydrophobicContact CB-CD1 4.02Å; L43-L94 HydrophobicContact CD2-CD1 3.89Å; L43-L94 HydrophobicContact CD2-CD2 4.45Å; L43-L98 HydrophobicContact CD1-CD1 4.07Å; L43-L98 HydrophobicContact CD1-CD2 4Å; L43-L98 HydrophobicContact CD2-CD1 4.25Å; L43-L98 HydrophobicContact CD2-CD2 4.28Å
44	C	93.7	Very high	83.7	Confident	1 Å²	1	52.5 Å²	52.5	1%	0.007	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	132	178.6	-57	0	0	0	0	109.5	L20 Y29 L30 V51 H52	L20-C44 HydrophobicContact CD1-CB 3.54Å; Y29-C44 WeakPolarHBondContact CA-O 3.37Å; Y29-C44 WeakPolarHBondContact CB-O 3.15Å; L30-C44 HydrophobicContact CD1-CB 4.15Å; L30-C44 HydrophobicContact CG-CB 4.39Å; L30-C44 PolarHBondContact N-O 2.94Å; L30-C44 PolarHBondContact O-N 2.97Å; C44-V51 HydrophobicContact CB-CG1 4.18Å; C44-H52 WeakPolarHBondContact CA-O 3.21Å
45	L	93.3	Very high	83.9	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	125	-170.3	173.9	62.4	0	0	0	110.9	S28 H52 Y54 L94 V95 I96 L98	S28-L45 CarbonylContact O-C 3.51Å; S28-L45 WeakPolarHBondContact O-CA 3.41Å; S28-L45 WeakPolarHBondContact O-CD1 3.46Å; L45-H52 PolarHBondContact N-O 2.72Å; L45-H52 PolarHBondContact O-N 2.88Å; L45-Y54 HydrophobicContact CB-CE2 4.21Å; L45-Y54 HydrophobicContact CD2-CE2 4.01Å; L45-L94 HydrophobicContact CD2-CB 4.12Å; L45-L94 HydrophobicContact CD2-CD1 4.12Å; L45-V95 HydrophobicContact CD2-CG1 4.19Å; L45-I96 HydrophobicContact CD1-CG2 3.88Å; L45-I96 HydrophobicContact CD2-CG2 3.86Å; L45-I96 WeakPolarHBondContact CD2-O 3.35Å; L45-I96 HydrophobicContact CG-CG2 3.94Å; L45-L98 HydrophobicContact CD1-CD2 3.83Å; L45-L98 HydrophobicContact CD2-CD2 4.09Å; L45-L98 HydrophobicContact CG-CD2 4.42Å
46	L	90.3	Very high	84.4	Confident	8 Å²	8	50.5 Å²	50.5	4%	0.042	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	132.5	176.2	-174.8	69.2	0	0	0	111.5	L20 G27 S28 H50 V51	L20-L46 HydrophobicContact CB-CB 4.44Å; L20-L46 HydrophobicContact CD2-CB 4.35Å; L20-L46 WeakPolarHBondContact O-CD2 3.43Å; G27-L46 PolarHBondContact N-O 2.94Å; S28-L46 PolarHBondContact O-N 2.85Å; L46-H50 WeakPolarHBondContact CA-O 3.34Å; L46-V51 HydrophobicContact CD1-CG2 3.94Å
47	F	87.8	Confident	84.9	Confident	42 Å²	42	49.6 Å²	49.6	18%	0.184	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	135.8	169.3	-178.1	-114.8	0	0	0	110.9	D26 C49 H50 V95 I96	D26-F47 HydrophobicContact CB-CD2 4.13Å; D26-F47 WeakPolarHBondContact OD1-CA 3.42Å; D26-F47 VanDerWaalsContact OD2-CD2 3.26Å; D26-F47 WeakPolarHBondContact OD2-CD2 3.41Å; F47-C49 PolarHBondContact O-N 2.98Å; F47-H50 PolarHBondContact N-O 2.9Å; F47-H50 WeakPolarHBondContact O-CA 3.3Å; F47-H50 PolarHBondContact O-N 3.24Å; F47-H50 VanDerWaalsContact O-O 3.08Å; F47-V95 HydrophobicContact CB-CG1 3.83Å; F47-V95 HydrophobicContact CD1-CB 4.39Å; F47-V95 HydrophobicContact CD1-CG1 4.05Å; F47-V95 HydrophobicContact CD1-CG2 3.46Å; F47-V95 VanDerWaalsContact CD1-CG2 3.46Å; F47-V95 HydrophobicContact CE1-CG2 3.7Å; F47-V95 HydrophobicContact CG-CG1 4.07Å; F47-V95 HydrophobicContact CG-CG2 4.27Å; F47-I96 HydrophobicContact CB-CG2 3.95Å; F47-I96 HydrophobicContact CD2-CB 3.8Å; F47-I96 HydrophobicContact CD2-CD1 3.65Å; F47-I96 HydrophobicContact CD2-CG1 4.27Å; F47-I96 HydrophobicContact CD2-CG2 3.93Å; F47-I96 HydrophobicContact CE2-CB 4.22Å; F47-I96 HydrophobicContact CE2-CD1 3.88Å; F47-I96 HydrophobicContact CE2-CG1 4.49Å; F47-I96 HydrophobicContact CG-CB 4.32Å; F47-I96 HydrophobicContact CG-CG2 4.17Å
48	Q	81.4	Confident	85.2	Confident	131 Å²	131	50.3 Å²	50.3	61%	0.612	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.9	45.4	-179	-63.9	-178.1	-4.1	0	0	113.3	D26 H50	D26-Q48 PolarHBondContact OD1-N 2.95Å; D26-Q48 PolarHBondContact OD2-N 2.82Å; Q48-H50 PolarHBondContact O-N 2.95Å; Q48-H50 PolarHBondContact O-ND1 2.73Å
49	C	77.8	Confident	85.4	Confident	122 Å²	122	46.4 Å²	46.4	82%	0.824	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.5	13.4	-174.8	-53.1	0	0	0	0	116	F47	F47-C49 PolarHBondContact O-N 2.98Å
50	H	70.9	Confident	85.1	Confident	112 Å²	112	49.9 Å²	49.9	52%	0.519	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	140	176.1	-65.8	75.2	0	0	0	111	L46 F47 Q48	L46-H50 WeakPolarHBondContact CA-O 3.34Å; F47-H50 PolarHBondContact N-O 2.9Å; F47-H50 WeakPolarHBondContact O-CA 3.3Å; F47-H50 PolarHBondContact O-N 3.24Å; F47-H50 VanDerWaalsContact O-O 3.08Å; Q48-H50 PolarHBondContact O-N 2.95Å; Q48-H50 PolarHBondContact O-ND1 2.73Å
51	V	86.8	Confident	84.7	Confident	38 Å²	38	56.9 Å²	56.9	23%	0.23	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	114.4	175	176.9	0	0	0	0	109.8	E17 L20 C44 L46	E17-V51 HydrophobicContact CG-CB 4.03Å; E17-V51 HydrophobicContact CG-CG1 3.92Å; E17-V51 HydrophobicContact CG-CG2 4.34Å; L20-V51 HydrophobicContact CB-CG2 3.86Å; L20-V51 HydrophobicContact CD1-CG1 3.65Å; L20-V51 HydrophobicContact CD1-CG2 4.15Å; C44-V51 HydrophobicContact CB-CG1 4.18Å; L46-V51 HydrophobicContact CD1-CG2 3.94Å
52	H	82.6	Confident	83.9	Confident	54 Å²	54	57 Å²	57	25%	0.25	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	124.2	174.9	-64.2	-103.8	0	0	0	109.6	C44 L45 Y54	C44-H52 WeakPolarHBondContact CA-O 3.21Å; L45-H52 PolarHBondContact N-O 2.72Å; L45-H52 PolarHBondContact O-N 2.88Å; H52-Y54 HydrophobicContact CB-CD2 4.41Å; H52-Y54 HydrophobicContact CB-CE2 3.55Å
53	T	88	Confident	83.6	Confident	54 Å²	54	59.3 Å²	59.3	33%	0.331	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	120.3	176.1	-53.6	0	0	0	0	111	A42 L43	A42-T53 HydrophobicContact CB-CG2 3.91Å; L43-T53 CarbonylContact O-C 3.48Å; L43-T53 WeakPolarHBondContact O-CA 3.28Å
54	Y	86.1	Confident	83.2	Confident	41 Å²	41	60.1 Å²	60.1	16%	0.161	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	123.5	178.6	-56.8	-97.3	0	0	0	109.3	A42 L43 L45 H52 V66 L94 V95	A42-Y54 WeakPolarHBondContact CA-O 3.44Å; L43-Y54 PolarHBondContact N-O 2.89Å; L43-Y54 PolarHBondContact O-N 2.91Å; L45-Y54 HydrophobicContact CB-CE2 4.21Å; L45-Y54 HydrophobicContact CD2-CE2 4.01Å; H52-Y54 HydrophobicContact CB-CD2 4.41Å; H52-Y54 HydrophobicContact CB-CE2 3.55Å; Y54-V66 HydrophobicContact CD1-CG1 4.27Å; Y54-L94 HydrophobicContact CD1-CD2 3.57Å; Y54-L94 HydrophobicContact CD2-CD2 3.99Å; Y54-L94 HydrophobicContact CE1-CD2 3.52Å; Y54-L94 HydrophobicContact CE2-CD2 3.97Å; Y54-L94 HydrophobicContact CG-CD2 3.81Å; Y54-V95 WeakPolarHBondContact OH-CG1 3.33Å; Y54-V95 PolarHBondContact OH-N 2.78Å; Y54-V95 VanDerWaalsContact OH-N 3.12Å
55	R	86.8	Confident	82.7	Confident	88 Å²	88	60.7 Å²	60.7	33%	0.332	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	132.7	175.7	-170.4	180	-70.6	122.4	-8.9	110.1	S36 L57 Q67	S36-R55 PolarHBondContact OG-NH2 3.47Å; R55-L57 HydrophobicContact CG-CD2 4.17Å; R55-L57 HydrophobicContact CG-CG 4.35Å; R55-Q67 HydrophobicContact CB-CB 4.48Å; R55-Q67 PolarHBondContact O-N 2.61Å
56	I	88.3	Confident	82.1	Confident	0 Å²	0	61 Å²	61	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	125.7	172.2	-61.1	163.5	0	0	0	107.5	A40 Y41 L43 L64 A65 V66 L80 L83	A40-I56 WeakPolarHBondContact CB-O 3.43Å; Y41-I56 HydrophobicContact CD2-CG2 4.47Å; Y41-I56 PolarHBondContact N-O 3.17Å; Y41-I56 PolarHBondContact O-N 2.75Å; L43-I56 HydrophobicContact CB-CD1 4.02Å; I56-L64 HydrophobicContact CG2-CB 3.87Å; I56-L64 HydrophobicContact CG2-CD2 4.35Å; I56-A65 CarbonylContact C-O 3.5Å; I56-A65 WeakPolarHBondContact CA-O 3.4Å; I56-V66 HydrophobicContact CG1-CG2 4Å; I56-L80 HydrophobicContact CD1-CD2 3.89Å; I56-L80 HydrophobicContact CG2-CD2 4.44Å; I56-L83 HydrophobicContact CD1-CD1 3.91Å; I56-L83 HydrophobicContact CD1-CD2 3.71Å; I56-L83 HydrophobicContact CG1-CD1 4.02Å; I56-L83 HydrophobicContact CG1-CD2 4.4Å; I56-L83 HydrophobicContact CG2-CD1 3.76Å
57	L	82.2	Confident	81.4	Confident	57 Å²	57	65.9 Å²	65.9	30%	0.298	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	139.3	177.5	-65	174.1	0	0	0	109.9	V37 A40 R55 A65 Q67	V37-L57 HydrophobicContact CG1-CD2 4.43Å; A40-L57 HydrophobicContact CB-CD2 3.81Å; R55-L57 HydrophobicContact CG-CD2 4.17Å; R55-L57 HydrophobicContact CG-CG 4.35Å; L57-A65 PolarHBondContact N-O 3.07Å; L57-A65 PolarHBondContact O-N 2.88Å; L57-Q67 HydrophobicContact CD1-CB 4.41Å; L57-Q67 HydrophobicContact CD1-CG 4.31Å
58	P	81.6	Confident	80.2	Confident	65 Å²	65	66.1 Å²	66.1	42%	0.422	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	138.2	161.1	30.9	-32	0	0	0	110.2	L63 L64	P58-L63 CarbonylContact C-O 3.58Å; P58-L63 WeakPolarHBondContact CA-O 3.42Å; P58-L64 HydrophobicContact CB-CD2 4.02Å
59	D	78.4	Confident	78.4	Confident	48 Å²	48	62.1 Å²	62.1	26%	0.257	35%	0.352	S	S	.	.			trans	-86.1	174.3	168.1	76.3	13.7	0	0	0	111.5	D61 G62 L63	D59-D61 PolarHBondContact O-N 2.95Å; D59-D61 PolarHBondContact OD1-N 2.81Å; D59-G62 PolarHBondContact O-N 3.15Å; D59-G62 PolarHBondContact OD1-N 3.38Å; D59-G62 VanDerWaalsContact OD1-N 3.1Å; D59-L63 PolarHBondContact N-O 3.24Å; D59-L63 PolarHBondContact OD1-N 2.88Å; D59-L63 WeakPolarHBondContact OD2-CB 3.48Å
60	P	72.6	Confident	76.6	Confident	136 Å²	136	66 Å²	66	88%	0.883	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-21	-178	-25.2	36.2	0	0	0	115.2	G62	P60-G62 VanDerWaalsContact C-N 3.33Å
61	D	75.3	Confident	75.4	Confident	148 Å²	148	64.9 Å²	64.9	79%	0.791	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	2.4	176.8	-65.5	-52.2	0	0	0	112	D59	D59-D61 PolarHBondContact O-N 2.95Å; D59-D61 PolarHBondContact OD1-N 2.81Å
62	G	74	Confident	73.8	Confident	47 Å²	47	66 Å²	66	49%	0.485	38%	0.384	S	S	.	.	S	Bend	trans	84.3	10.5	177.1	0	0	0	0	0	114.8	D59 P60	D59-G62 PolarHBondContact O-N 3.15Å; D59-G62 PolarHBondContact OD1-N 3.38Å; D59-G62 VanDerWaalsContact OD1-N 3.1Å; P60-G62 VanDerWaalsContact C-N 3.33Å
63	L	83.9	Confident	72.5	Confident	54 Å²	54	71.8 Å²	71.8	28%	0.283	41%	0.411	S	S	.	.			trans	-82.3	139.6	176.6	-52.1	174.9	0	0	0	110.5	P58 D59 C76 F77 R78	P58-L63 CarbonylContact C-O 3.58Å; P58-L63 WeakPolarHBondContact CA-O 3.42Å; D59-L63 PolarHBondContact N-O 3.24Å; D59-L63 PolarHBondContact OD1-N 2.88Å; D59-L63 WeakPolarHBondContact OD2-CB 3.48Å; L63-C76 HydrophobicContact CB-CB 3.93Å; L63-C76 HydrophobicContact CD1-CB 3.95Å; L63-F77 CarbonylContact C-O 3.49Å; L63-F77 WeakPolarHBondContact CA-O 3.31Å; L63-R78 HydrophobicContact CD2-CG 3.71Å
64	L	85.4	Confident	71.4	Confident	16 Å²	16	72.7 Å²	72.7	8%	0.084	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	125.2	179.2	-59.7	-179.4	0	0	0	110.3	Y41 I56 P58 F77 L80 L83	Y41-L64 HydrophobicContact CD2-CD2 4.45Å; Y41-L64 HydrophobicContact CE2-CD1 4.38Å; Y41-L64 HydrophobicContact CE2-CD2 4.26Å; I56-L64 HydrophobicContact CG2-CB 3.87Å; I56-L64 HydrophobicContact CG2-CD2 4.35Å; P58-L64 HydrophobicContact CB-CD2 4.02Å; L64-F77 PolarHBondContact N-O 3.23Å; L64-F77 PolarHBondContact O-N 2.99Å; L64-L80 HydrophobicContact CD1-CB 4.46Å; L64-L80 HydrophobicContact CD1-CD2 3.74Å; L64-L80 HydrophobicContact CD1-CG 3.69Å; L64-L83 HydrophobicContact CB-CD1 4.08Å
65	A	82.8	Confident	71	Confident	13 Å²	13	73.4 Å²	73.4	11%	0.107	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	139.9	176.2	0	0	0	0	0	111.1	I56 L57 V74	I56-A65 CarbonylContact C-O 3.5Å; I56-A65 WeakPolarHBondContact CA-O 3.4Å; L57-A65 PolarHBondContact N-O 3.07Å; L57-A65 PolarHBondContact O-N 2.88Å; A65-V74 HydrophobicContact CB-CG1 3.54Å
66	V	81.5	Confident	70.8	Confident	8 Å²	8	72.1 Å²	72.1	5%	0.048	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	131.7	165.4	174	0	0	0	0	108.6	Y54 I56 T68 L83 Y87	Y54-V66 HydrophobicContact CD1-CG1 4.27Å; I56-V66 HydrophobicContact CG1-CG2 4Å; V66-T68 PolarHBondContact O-N 3.49Å; V66-L83 HydrophobicContact CG2-CD1 4.38Å; V66-L83 HydrophobicContact CG2-CD2 4.42Å; V66-Y87 HydrophobicContact CB-CE2 4.38Å; V66-Y87 HydrophobicContact CG2-CD2 4.37Å; V66-Y87 HydrophobicContact CG2-CE2 3.53Å
67	Q	75.9	Confident	70.7	Confident	109 Å²	109	73.7 Å²	73.7	51%	0.509	43%	0.433	S	S	.	.			trans	-68.2	102.3	-178.2	-173.4	173.4	19.8	0	0	111.1	R55 L57	R55-Q67 HydrophobicContact CB-CB 4.48Å; R55-Q67 PolarHBondContact O-N 2.61Å; L57-Q67 HydrophobicContact CD1-CB 4.41Å; L57-Q67 HydrophobicContact CD1-CG 4.31Å
68	T	61.1	Low	70.7	Confident	48 Å²	48	80.9 Å²	80.9	29%	0.294	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-95.7	173.3	174.5	62.1	0	0	0	0	112.3	V66 V72	V66-T68 PolarHBondContact O-N 3.49Å; T68-V72 HydrophobicContact CG2-CG1 4.16Å
69	T	45.3	Very low	71	Confident	46 Å²	46	80.2 Å²	80.2	28%	0.282	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-90.3	157	175.1	52.5	0	0	0	0	112.3	G71 V72 A1104 L1107	T69-G71 PolarHBondContact O-N 3.02Å; T69-V72 PolarHBondContact O-N 2.8Å; T69-A1104 HydrophobicContact CG2-CB 3.76Å; T69-L1107 HydrophobicContact CG2-CD1 4.25Å; T69-L1107 WeakPolarHBondContact OG1-CD1 3.32Å
70	Q	39.5	Very low	71.3	Confident	205 Å²	205	78.1 Å²	78.1	96%	0.958	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	123.8	-179.1	-69.8	-176.6	-15.3	0	0	111.4
71	G	46.1	Very low	72	Confident	87 Å²	87	76.1 Å²	76.1	90%	0.897	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	107.8	-17.3	-179.4	0	0	0	0	0	114.9	T69	T69-G71 PolarHBondContact O-N 3.02Å
72	V	53	Low	72.5	Confident	63 Å²	63	72.5 Å²	72.5	38%	0.382	40%	0.399	S	S	.	.	S	Bend	trans	-86.1	134.8	173.6	-177.2	0	0	0	0	110.1	T68 T69 V74	T68-V72 HydrophobicContact CG2-CG1 4.16Å; T69-V72 PolarHBondContact O-N 2.8Å; V72-V74 PolarHBondContact O-N 2.84Å
73	Q	53.7	Low	73.3	Confident	175 Å²	175	70.2 Å²	70.2	82%	0.818	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-67.8	118.7	177.3	-168.3	171.7	16.4	0	0	110.5
74	V	65.9	Low	73.6	Confident	73 Å²	73	67.8 Å²	67.8	44%	0.442	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-75.4	128.5	-178.2	-174.1	0	0	0	0	109.9	A65 V72	A65-V74 HydrophobicContact CB-CG1 3.54Å; V72-V74 PolarHBondContact O-N 2.84Å
75	N	77	Confident	73.7	Confident	55 Å²	55	71.8 Å²	71.8	29%	0.294	38%	0.384	S	S	.	.			trans	-91.6	112.9	168.4	-65.9	-57.5	0	0	0	108.7	F77	N75-F77 HydrophobicContact CB-CE2 3.58Å; N75-F77 HydrophobicContact CB-CZ 3.77Å; N75-F77 WeakPolarHBondContact O-CD2 3.28Å; N75-F77 WeakPolarHBondContact O-CE2 3.29Å
76	C	83.4	Confident	73.7	Confident	62 Å²	62	72 Å²	72	42%	0.419	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	136.4	175.5	-58.7	0	0	0	0	110.7	L63	L63-C76 HydrophobicContact CB-CB 3.93Å; L63-C76 HydrophobicContact CD1-CB 3.95Å
77	F	86.4	Confident	74	Confident	32 Å²	32	71.9 Å²	71.9	14%	0.14	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	153.6	-175.3	-60.4	-87	0	0	0	110.7	L63 L64 N75 D82 L83 Y87	L63-F77 CarbonylContact C-O 3.49Å; L63-F77 WeakPolarHBondContact CA-O 3.31Å; L64-F77 PolarHBondContact N-O 3.23Å; L64-F77 PolarHBondContact O-N 2.99Å; N75-F77 HydrophobicContact CB-CE2 3.58Å; N75-F77 HydrophobicContact CB-CZ 3.77Å; N75-F77 WeakPolarHBondContact O-CD2 3.28Å; N75-F77 WeakPolarHBondContact O-CE2 3.29Å; F77-D82 HydrophobicContact CB-CB 4.12Å; F77-D82 HydrophobicContact CD1-CB 4.18Å; F77-D82 WeakPolarHBondContact CD1-O 3.3Å; F77-L83 HydrophobicContact CB-CB 3.86Å; F77-L83 HydrophobicContact CD1-CB 4.4Å; F77-L83 HydrophobicContact CD2-CB 3.89Å; F77-L83 HydrophobicContact CD2-CD1 3.92Å; F77-L83 HydrophobicContact CD2-CG 3.74Å; F77-L83 HydrophobicContact CE2-CG 4.13Å; F77-L83 HydrophobicContact CG-CB 3.8Å; F77-L83 HydrophobicContact CG-CG 4.19Å; F77-Y87 HydrophobicContact CD2-CE2 4.46Å; F77-Y87 HydrophobicContact CE2-CD2 4.23Å; F77-Y87 AromaticContact CE2-CE2 3.53Å; F77-Y87 HydrophobicContact CE2-CE2 3.53Å; F77-Y87 HydrophobicContact CZ-CD2 4.32Å; F77-Y87 AromaticContact CZ-CE2 3.96Å; F77-Y87 HydrophobicContact CZ-CE2 3.96Å
78	R	82.7	Confident	74.5	Confident	209 Å²	209	70.1 Å²	70.1	79%	0.789	38%	0.378	S	S	*	.	S	Bend	trans	-85.9	-24.8	-178	-70.6	178.2	177.6	176.6	-0.9	113.6	L63	L63-R78 HydrophobicContact CD2-CG 3.71Å
79	T	86.1	Confident	75.2	Confident	50 Å²	50	73.4 Å²	73.4	31%	0.307	39%	0.39	S	S	.	.	S	Bend	trans	-141.7	165	179	67.2	0	0	0	0	110.8	E81 D82 L83	T79-E81 PolarHBondContact O-N 3.4Å; T79-E81 PolarHBondContact OG1-N 2.75Å; T79-D82 WeakPolarHBondContact CB-OD2 3.49Å; T79-D82 PolarHBondContact N-OD2 2.98Å; T79-D82 PolarHBondContact O-N 3.08Å; T79-D82 PolarHBondContact OG1-N 2.85Å; T79-D82 PolarHBondContact OG1-OD2 2.77Å; T79-L83 WeakPolarHBondContact O-CB 3.31Å; T79-L83 PolarHBondContact O-N 3.34Å
80	L	86.1	Confident	76.3	Confident	5 Å²	5	73.7 Å²	73.7	3%	0.026	39%	0.393	C	S	.	.	H	α-helix	trans	-63.9	-28.7	170.6	-74.7	175	0	0	0	112	W6 Y7 V31 Y41 I56 L64 L83 V84	W6-L80 HydrophobicContact CH2-CB 3.87Å; W6-L80 HydrophobicContact CZ3-CB 4.22Å; Y7-L80 HydrophobicContact CD2-CD1 4.33Å; Y7-L80 HydrophobicContact CE2-CD1 4.2Å; V31-L80 HydrophobicContact CG1-CD1 4.34Å; V31-L80 HydrophobicContact CG1-CD2 4.28Å; Y41-L80 HydrophobicContact CD1-CD1 4.06Å; Y41-L80 HydrophobicContact CD2-CD1 3.98Å; Y41-L80 HydrophobicContact CD2-CD2 3.79Å; Y41-L80 HydrophobicContact CD2-CG 4.18Å; Y41-L80 HydrophobicContact CE1-CD1 4.07Å; Y41-L80 HydrophobicContact CE2-CD1 3.96Å; Y41-L80 HydrophobicContact CE2-CD2 4.34Å; Y41-L80 HydrophobicContact CE2-CG 4.24Å; Y41-L80 HydrophobicContact CG-CD1 4.02Å; Y41-L80 HydrophobicContact CG-CD2 4.12Å; I56-L80 HydrophobicContact CD1-CD2 3.89Å; I56-L80 HydrophobicContact CG2-CD2 4.44Å; L64-L80 HydrophobicContact CD1-CB 4.46Å; L64-L80 HydrophobicContact CD1-CD2 3.74Å; L64-L80 HydrophobicContact CD1-CG 3.69Å; L80-L83 PolarHBondContact O-N 2.85Å; L80-V84 WeakPolarHBondContact O-CB 3.34Å; L80-V84 WeakPolarHBondContact O-CG2 3.21Å; L80-V84 PolarHBondContact O-N 2.75Å
81	E	87.7	Confident	77.4	Confident	94 Å²	94	70 Å²	70	44%	0.439	38%	0.375	S	S	.	.	H	α-helix	trans	-69.5	-45.8	176.8	-71.9	163.9	-151	0	0	110.9	W6 T79 L83 V84 L85	W6-E81 HydrophobicContact CH2-CG 4.25Å; W6-E81 HydrophobicContact CZ2-CG 3.88Å; T79-E81 PolarHBondContact O-N 3.4Å; T79-E81 PolarHBondContact OG1-N 2.75Å; E81-L83 VanDerWaalsContact C-N 3.28Å; E81-L83 PolarHBondContact O-N 2.75Å; E81-V84 PolarHBondContact O-N 2.86Å; E81-L85 WeakPolarHBondContact O-CB 3.5Å; E81-L85 WeakPolarHBondContact O-CD1 3.34Å; E81-L85 VanDerWaalsContact O-CG 3.26Å; E81-L85 WeakPolarHBondContact O-CG 3.29Å; E81-L85 PolarHBondContact O-N 3.05Å
82	D	84.6	Confident	78.4	Confident	71 Å²	71	70.6 Å²	70.6	38%	0.38	35%	0.353	S	S	.	.	H	α-helix	trans	-58.6	-40.5	171.7	-62.2	-57.5	0	0	0	111.9	F77 T79 G86	F77-D82 HydrophobicContact CB-CB 4.12Å; F77-D82 HydrophobicContact CD1-CB 4.18Å; F77-D82 WeakPolarHBondContact CD1-O 3.3Å; T79-D82 WeakPolarHBondContact CB-OD2 3.49Å; T79-D82 PolarHBondContact N-OD2 2.98Å; T79-D82 PolarHBondContact O-N 3.08Å; T79-D82 PolarHBondContact OG1-N 2.85Å; T79-D82 PolarHBondContact OG1-OD2 2.77Å; D82-G86 PolarHBondContact O-N 3.49Å
83	L	90.3	Very high	79.1	Confident	0 Å²	0	70 Å²	70	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-65.1	-49.4	179.2	-172.5	151.2	0	0	0	110.8	I56 L64 V66 F77 T79 L80 E81 G86 Y87	I56-L83 HydrophobicContact CD1-CD1 3.91Å; I56-L83 HydrophobicContact CD1-CD2 3.71Å; I56-L83 HydrophobicContact CG1-CD1 4.02Å; I56-L83 HydrophobicContact CG1-CD2 4.4Å; I56-L83 HydrophobicContact CG2-CD1 3.76Å; L64-L83 HydrophobicContact CB-CD1 4.08Å; V66-L83 HydrophobicContact CG2-CD1 4.38Å; V66-L83 HydrophobicContact CG2-CD2 4.42Å; F77-L83 HydrophobicContact CB-CB 3.86Å; F77-L83 HydrophobicContact CD1-CB 4.4Å; F77-L83 HydrophobicContact CD2-CB 3.89Å; F77-L83 HydrophobicContact CD2-CD1 3.92Å; F77-L83 HydrophobicContact CD2-CG 3.74Å; F77-L83 HydrophobicContact CE2-CG 4.13Å; F77-L83 HydrophobicContact CG-CB 3.8Å; F77-L83 HydrophobicContact CG-CG 4.19Å; T79-L83 WeakPolarHBondContact O-CB 3.31Å; T79-L83 PolarHBondContact O-N 3.34Å; L80-L83 PolarHBondContact O-N 2.85Å; E81-L83 VanDerWaalsContact C-N 3.28Å; E81-L83 PolarHBondContact O-N 2.75Å; L83-G86 PolarHBondContact O-N 2.88Å; L83-Y87 HydrophobicContact CD2-CD2 3.77Å; L83-Y87 HydrophobicContact CD2-CE2 4.09Å; L83-Y87 HydrophobicContact CG-CD2 3.98Å; L83-Y87 HydrophobicContact CG-CE2 3.99Å; L83-Y87 WeakPolarHBondContact O-CD2 3.32Å; L83-Y87 PolarHBondContact O-N 3.46Å
84	V	90.4	Very high	80.4	Confident	2 Å²	2	62.9 Å²	62.9	1%	0.012	33%	0.327	C	S	.	.	H	α-helix	trans	-61	-48.2	176.9	165.7	0	0	0	0	110.8	W6 Y29 V31 L80 E81 G86 Y87 Q88 L98	W6-V84 HydrophobicContact CD2-CG2 4.21Å; W6-V84 HydrophobicContact CE3-CG2 4Å; W6-V84 HydrophobicContact CH2-CB 4.34Å; W6-V84 HydrophobicContact CH2-CG2 3.73Å; W6-V84 HydrophobicContact CZ2-CB 4.12Å; W6-V84 HydrophobicContact CZ2-CG1 4.39Å; W6-V84 HydrophobicContact CZ2-CG2 3.91Å; W6-V84 HydrophobicContact CZ3-CG2 3.76Å; Y29-V84 HydrophobicContact CE2-CG1 3.7Å; Y29-V84 HydrophobicContact CE2-CG2 4.3Å; Y29-V84 WeakPolarHBondContact OH-CG1 3.46Å; V31-V84 HydrophobicContact CG2-CG2 4.24Å; L80-V84 WeakPolarHBondContact O-CB 3.34Å; L80-V84 WeakPolarHBondContact O-CG2 3.21Å; L80-V84 PolarHBondContact O-N 2.75Å; E81-V84 PolarHBondContact O-N 2.86Å; V84-G86 VanDerWaalsContact C-N 3.27Å; V84-G86 PolarHBondContact O-N 3.09Å; V84-Y87 CarbonylContact O-C 3.39Å; V84-Y87 PolarHBondContact O-N 3.39Å; V84-Y87 VanDerWaalsContact O-N 3.1Å; V84-Q88 HydrophobicContact CG1-CG 4.43Å; V84-Q88 WeakPolarHBondContact O-CG 2.93Å; V84-Q88 PolarHBondContact O-N 2.81Å; V84-L98 HydrophobicContact CB-CD1 4.32Å; V84-L98 HydrophobicContact CG1-CD1 4.12Å; V84-L98 HydrophobicContact CG2-CD1 4.18Å
85	L	87.3	Confident	80.8	Confident	101 Å²	101	62.4 Å²	62.4	53%	0.529	32%	0.324	S	S	.	.	H	α-helix	trans	-57.5	-39.8	174.8	-72.3	166.1	0	0	0	112.2	E81 Y87	E81-L85 WeakPolarHBondContact O-CB 3.5Å; E81-L85 WeakPolarHBondContact O-CD1 3.34Å; E81-L85 VanDerWaalsContact O-CG 3.26Å; E81-L85 WeakPolarHBondContact O-CG 3.29Å; E81-L85 PolarHBondContact O-N 3.05Å; L85-Y87 VanDerWaalsContact C-N 3.31Å; L85-Y87 PolarHBondContact O-N 3.23Å
86	G	83.7	Confident	81.2	Confident	16 Å²	16	61.2 Å²	61.2	17%	0.165	32%	0.318	C	S	.	.	H	α-helix	trans	-63.6	-31.5	176.5	0	0	0	0	0	114.3	D82 L83 V84 K92	D82-G86 PolarHBondContact O-N 3.49Å; L83-G86 PolarHBondContact O-N 2.88Å; V84-G86 VanDerWaalsContact C-N 3.27Å; V84-G86 PolarHBondContact O-N 3.09Å; G86-K92 WeakPolarHBondContact O-CG 3.27Å
87	Y	87.6	Confident	81.4	Confident	7 Å²	7	59.7 Å²	59.7	3%	0.027	31%	0.307	C	S	.	.	H	α-helix	trans	-102	-5.2	-179.2	-74.5	-67.4	0	0	0	114.9	V66 F77 L83 V84 L85 K92 L94 L98	V66-Y87 HydrophobicContact CB-CE2 4.38Å; V66-Y87 HydrophobicContact CG2-CD2 4.37Å; V66-Y87 HydrophobicContact CG2-CE2 3.53Å; F77-Y87 HydrophobicContact CD2-CE2 4.46Å; F77-Y87 HydrophobicContact CE2-CD2 4.23Å; F77-Y87 AromaticContact CE2-CE2 3.53Å; F77-Y87 HydrophobicContact CE2-CE2 3.53Å; F77-Y87 HydrophobicContact CZ-CD2 4.32Å; F77-Y87 AromaticContact CZ-CE2 3.96Å; F77-Y87 HydrophobicContact CZ-CE2 3.96Å; L83-Y87 HydrophobicContact CD2-CD2 3.77Å; L83-Y87 HydrophobicContact CD2-CE2 4.09Å; L83-Y87 HydrophobicContact CG-CD2 3.98Å; L83-Y87 HydrophobicContact CG-CE2 3.99Å; L83-Y87 WeakPolarHBondContact O-CD2 3.32Å; L83-Y87 PolarHBondContact O-N 3.46Å; V84-Y87 CarbonylContact O-C 3.39Å; V84-Y87 PolarHBondContact O-N 3.39Å; V84-Y87 VanDerWaalsContact O-N 3.1Å; L85-Y87 VanDerWaalsContact C-N 3.31Å; L85-Y87 PolarHBondContact O-N 3.23Å; Y87-K92 HydrophobicContact CD1-CB 3.72Å; Y87-K92 HydrophobicContact CE1-CB 3.95Å; Y87-K92 WeakPolarHBondContact CE1-O 3.48Å; Y87-L94 HydrophobicContact CD1-CD1 3.81Å; Y87-L94 HydrophobicContact CD1-CD2 4.2Å; Y87-L94 HydrophobicContact CD1-CG 3.56Å; Y87-L94 HydrophobicContact CE1-CD2 4.21Å; Y87-L94 HydrophobicContact CE1-CG 4Å; Y87-L94 HydrophobicContact CG-CD1 3.85Å; Y87-L94 HydrophobicContact CG-CG 4.12Å; Y87-L98 PolarHBondContact O-N 3.03Å
88	Q	87.6	Confident	81.8	Confident	72 Å²	72	58.4 Å²	58.4	34%	0.336	30%	0.301	S	S	.	.	H	α-helix	trans	-66.2	-25.6	160	-73.3	173.4	3.6	0	0	111.3	Y29 V84 L98	Y29-Q88 PolarHBondContact OH-NE2 2.67Å; V84-Q88 HydrophobicContact CG1-CG 4.43Å; V84-Q88 WeakPolarHBondContact O-CG 2.93Å; V84-Q88 PolarHBondContact O-N 2.81Å; Q88-L98 HydrophobicContact CG-CB 3.98Å; Q88-L98 WeakPolarHBondContact CG-O 3.28Å
89	Q	75.8	Confident	82.1	Confident	116 Å²	116	52.5 Å²	52.5	54%	0.542	29%	0.285	S	S	.	.	S	Bend	trans	-77.1	137.3	172.4	-63.8	-58.6	-44.2	0	0	111	K92	Q89-K92 HydrophobicContact CB-CG 4.3Å; Q89-K92 WeakPolarHBondContact O-CG 3.4Å
90	P	68.1	Low	82.4	Confident	53 Å²	53	54.9 Å²	54.9	34%	0.344	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	163.7	-175.5	35.8	-39.6	0	0	0	112.1	K92 P97	P90-K92 VanDerWaalsContact C-N 3.28Å; P90-K92 PolarHBondContact O-N 3.47Å; P90-P97 HydrophobicContact CB-CG 3.69Å
91	H	61.3	Low	82.6	Confident	126 Å²	126	56.7 Å²	56.7	58%	0.583	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.1	21.9	173.1	-29.4	-38.9	0	0	0	114.3	F1112	H91-F1112 HydrophobicContact CB-CD1 4.29Å; H91-F1112 HydrophobicContact CB-CD2 4.1Å; H91-F1112 HydrophobicContact CB-CE1 4.14Å; H91-F1112 HydrophobicContact CB-CE2 3.84Å; H91-F1112 HydrophobicContact CB-CG 4.39Å; H91-F1112 HydrophobicContact CB-CZ 3.95Å; H91-F1112 AromaticContact CD2-CD1 3.86Å; H91-F1112 AromaticContact CD2-CE1 3.68Å; H91-F1112 AromaticContact CE1-CE1 3.11Å; H91-F1112 WeakPolarHBondContact CE1-CE1 3.24Å; H91-F1112 AromaticContact CE1-CZ 3.5Å; H91-F1112 AromaticContact CG-CD1 3.74Å; H91-F1112 AromaticContact CG-CE1 3.34Å; H91-F1112 AromaticContact CG-CE2 3.9Å; H91-F1112 AromaticContact CG-CZ 3.46Å; H91-F1112 VanDerWaalsContact CG-CZ 3.46Å; H91-F1112 AromaticContact ND1-CD1 3.86Å; H91-F1112 AromaticContact ND1-CE1 2.97Å; H91-F1112 WeakPolarHBondContact ND1-CE1 3.47Å; H91-F1112 AromaticContact ND1-CE2 3.72Å; H91-F1112 AromaticContact ND1-CZ 2.91Å; H91-F1112 WeakPolarHBondContact ND1-CZ 3.27Å; H91-F1112 AromaticContact NE2-CE1 3.55Å
92	K	68	Low	82.8	Confident	100 Å²	100	52.9 Å²	52.9	44%	0.435	29%	0.288	S	S	.	.	S	Bend	trans	-95.1	-4.3	-175.6	-72.7	-77	-174.8	178.1	0	115.9	G86 Y87 Q89 P90	G86-K92 WeakPolarHBondContact O-CG 3.27Å; Y87-K92 HydrophobicContact CD1-CB 3.72Å; Y87-K92 HydrophobicContact CE1-CB 3.95Å; Y87-K92 WeakPolarHBondContact CE1-O 3.48Å; Q89-K92 HydrophobicContact CB-CG 4.3Å; Q89-K92 WeakPolarHBondContact O-CG 3.4Å; P90-K92 VanDerWaalsContact C-N 3.28Å; P90-K92 PolarHBondContact O-N 3.47Å
93	G	68.5	Low	82.9	Confident	51 Å²	51	53.2 Å²	53.2	53%	0.526	29%	0.294	S	S	.	.	S	Bend	trans	114.8	7.6	176.8	0	0	0	0	0	116.2
94	L	79.7	Confident	82.4	Confident	25 Å²	25	57.5 Å²	57.5	13%	0.131	31%	0.314	C	S	.	.	S	Bend	trans	-99	157.8	165.1	-53.6	-175.8	0	0	0	110.3	L43 L45 Y54 Y87 I96 L98	L43-L94 HydrophobicContact CD2-CD1 3.89Å; L43-L94 HydrophobicContact CD2-CD2 4.45Å; L45-L94 HydrophobicContact CD2-CB 4.12Å; L45-L94 HydrophobicContact CD2-CD1 4.12Å; Y54-L94 HydrophobicContact CD1-CD2 3.57Å; Y54-L94 HydrophobicContact CD2-CD2 3.99Å; Y54-L94 HydrophobicContact CE1-CD2 3.52Å; Y54-L94 HydrophobicContact CE2-CD2 3.97Å; Y54-L94 HydrophobicContact CG-CD2 3.81Å; Y87-L94 HydrophobicContact CD1-CD1 3.81Å; Y87-L94 HydrophobicContact CD1-CD2 4.2Å; Y87-L94 HydrophobicContact CD1-CG 3.56Å; Y87-L94 HydrophobicContact CE1-CD2 4.21Å; Y87-L94 HydrophobicContact CE1-CG 4Å; Y87-L94 HydrophobicContact CG-CD1 3.85Å; Y87-L94 HydrophobicContact CG-CG 4.12Å; L94-I96 VanDerWaalsContact C-N 3.28Å; L94-I96 WeakPolarHBondContact CB-O 3.46Å; L94-I96 PolarHBondContact O-N 2.91Å; L94-L98 HydrophobicContact CD1-CD2 3.65Å; L94-L98 HydrophobicContact CD1-CG 3.99Å
95	V	75.6	Confident	81.1	Confident	64 Å²	64	60.9 Å²	60.9	39%	0.388	33%	0.332	S	S	.	.	S	Bend	trans	-61.2	-32	-179.5	72.5	0	0	0	0	113.9	L45 F47 Y54	L45-V95 HydrophobicContact CD2-CG1 4.19Å; F47-V95 HydrophobicContact CB-CG1 3.83Å; F47-V95 HydrophobicContact CD1-CB 4.39Å; F47-V95 HydrophobicContact CD1-CG1 4.05Å; F47-V95 HydrophobicContact CD1-CG2 3.46Å; F47-V95 VanDerWaalsContact CD1-CG2 3.46Å; F47-V95 HydrophobicContact CE1-CG2 3.7Å; F47-V95 HydrophobicContact CG-CG1 4.07Å; F47-V95 HydrophobicContact CG-CG2 4.27Å; Y54-V95 WeakPolarHBondContact OH-CG1 3.33Å; Y54-V95 PolarHBondContact OH-N 2.78Å; Y54-V95 VanDerWaalsContact OH-N 3.12Å
96	I	84.1	Confident	79	Confident	30 Å²	30	62.3 Å²	62.3	15%	0.154	35%	0.345	C	S	.	.	S	Bend	trans	-145.8	155.5	172.6	-171.6	165.8	0	0	0	107.1	D26 L45 F47 L94 L99	D26-I96 HydrophobicContact CB-CD1 3.99Å; L45-I96 HydrophobicContact CD1-CG2 3.88Å; L45-I96 HydrophobicContact CD2-CG2 3.86Å; L45-I96 WeakPolarHBondContact CD2-O 3.35Å; L45-I96 HydrophobicContact CG-CG2 3.94Å; F47-I96 HydrophobicContact CB-CG2 3.95Å; F47-I96 HydrophobicContact CD2-CB 3.8Å; F47-I96 HydrophobicContact CD2-CD1 3.65Å; F47-I96 HydrophobicContact CD2-CG1 4.27Å; F47-I96 HydrophobicContact CD2-CG2 3.93Å; F47-I96 HydrophobicContact CE2-CB 4.22Å; F47-I96 HydrophobicContact CE2-CD1 3.88Å; F47-I96 HydrophobicContact CE2-CG1 4.49Å; F47-I96 HydrophobicContact CG-CB 4.32Å; F47-I96 HydrophobicContact CG-CG2 4.17Å; L94-I96 VanDerWaalsContact C-N 3.28Å; L94-I96 WeakPolarHBondContact CB-O 3.46Å; L94-I96 PolarHBondContact O-N 2.91Å; I96-L99 HydrophobicContact CD1-CD1 4.41Å
97	P	88.9	Confident	76.8	Confident	30 Å²	30	68.2 Å²	68.2	20%	0.195	37%	0.373	C	S	.	.			trans	-64.7	161.4	174.5	-17.3	31.6	0	0	0	111.4	P90 L99	P90-P97 HydrophobicContact CB-CG 3.69Å; P97-L99 HydrophobicContact CB-CD2 4.11Å; P97-L99 HydrophobicContact CB-CG 4.43Å; P97-L99 PolarHBondContact O-N 2.88Å
98	L	93	Very high	74.2	Confident	4 Å²	4	74.6 Å²	74.6	2%	0.021	41%	0.413	C	S	.	.			trans	-73.5	112.5	169.3	-55.5	-173.4	0	0	0	108.6	Y29 L43 L45 V84 Y87 Q88 L94	Y29-L98 HydrophobicContact CD1-CB 3.73Å; Y29-L98 HydrophobicContact CD1-CD2 4.34Å; Y29-L98 HydrophobicContact CD2-CB 4.3Å; Y29-L98 HydrophobicContact CD2-CD1 4.03Å; Y29-L98 HydrophobicContact CD2-CD2 4.23Å; Y29-L98 HydrophobicContact CD2-CG 4.41Å; Y29-L98 HydrophobicContact CE1-CB 3.72Å; Y29-L98 HydrophobicContact CE2-CB 4.3Å; Y29-L98 HydrophobicContact CE2-CD1 4.1Å; Y29-L98 HydrophobicContact CG-CB 4.03Å; Y29-L98 HydrophobicContact CG-CD1 4.44Å; Y29-L98 HydrophobicContact CG-CD2 3.89Å; Y29-L98 HydrophobicContact CG-CG 4.33Å; L43-L98 HydrophobicContact CD1-CD1 4.07Å; L43-L98 HydrophobicContact CD1-CD2 4Å; L43-L98 HydrophobicContact CD2-CD1 4.25Å; L43-L98 HydrophobicContact CD2-CD2 4.28Å; L45-L98 HydrophobicContact CD1-CD2 3.83Å; L45-L98 HydrophobicContact CD2-CD2 4.09Å; L45-L98 HydrophobicContact CG-CD2 4.42Å; V84-L98 HydrophobicContact CB-CD1 4.32Å; V84-L98 HydrophobicContact CG1-CD1 4.12Å; V84-L98 HydrophobicContact CG2-CD1 4.18Å; Y87-L98 PolarHBondContact O-N 3.03Å; Q88-L98 HydrophobicContact CG-CB 3.98Å; Q88-L98 WeakPolarHBondContact CG-O 3.28Å; L94-L98 HydrophobicContact CD1-CD2 3.65Å; L94-L98 HydrophobicContact CD1-CG 3.99Å
99	L	89.2	Confident	71.6	Confident	86 Å²	86	74.6 Å²	74.6	45%	0.45	43%	0.432	S	S	.	.			trans	-115.3	-42.8	-173.2	-63	179	0	0	0	113.4	G27 I96 P97	G27-L99 PolarHBondContact O-N 3Å; I96-L99 HydrophobicContact CD1-CD1 4.41Å; P97-L99 HydrophobicContact CB-CD2 4.11Å; P97-L99 HydrophobicContact CB-CG 4.43Å; P97-L99 PolarHBondContact O-N 2.88Å
100	Y	92.9	Very high	69.5	Low	100 Å²	100	76.5 Å²	76.5	39%	0.392	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	105.7	-171.9	-47.8	-72.3	0	0	0	111.3	R25 D26 G27 S28 Y29 V102	R25-Y100 VanDerWaalsContact CD-CD2 3.41Å; R25-Y100 HydrophobicContact CG-CD2 3.92Å; R25-Y100 HydrophobicContact CG-CE2 3.77Å; D26-Y100 WeakPolarHBondContact O-CD2 3.39Å; D26-Y100 VanDerWaalsContact O-CE2 3.32Å; D26-Y100 WeakPolarHBondContact O-CE2 3Å; G27-Y100 PolarHBondContact O-N 3.01Å; S28-Y100 CarbonylContact C-O 3.55Å; S28-Y100 VanDerWaalsContact CA-O 3.24Å; S28-Y100 WeakPolarHBondContact CA-O 3.44Å; Y29-Y100 VanDerWaalsContact CD1-O 3.32Å; Y29-Y100 WeakPolarHBondContact CD1-O 3.45Å; Y29-Y100 PolarHBondContact N-O 3.4Å; Y100-V102 PolarHBondContact O-N 3.02Å
101	A	91.1	Very high	67.8	Low	42 Å²	42	81.5 Å²	81.5	35%	0.347	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	123.3	176.6	0	0	0	0	0	110.7	W6 Y29 P103	W6-A101 HydrophobicContact CB-CB 3.93Å; W6-A101 HydrophobicContact CG-CB 4.45Å; Y29-A101 HydrophobicContact CE1-CB 4.16Å; A101-P103 WeakPolarHBondContact O-CD 3.32Å
102	V	92.3	Very high	66.3	Low	14 Å²	14	80.5 Å²	80.5	9%	0.085	47%	0.472	C	S	.	.	P	Polyproline II helix	trans	-84.4	117.1	174	-177.9	0	0	0	0	109.4	S5 H8 L19 L20 A23 Y29 L30 Y100	S5-V102 VanDerWaalsContact O-O 3.11Å; H8-V102 PolarHBondContact NE2-O 3.47Å; L19-V102 HydrophobicContact CB-CG1 4.31Å; L19-V102 HydrophobicContact CD2-CG1 4.2Å; L20-V102 HydrophobicContact CD2-CG2 3.81Å; A23-V102 HydrophobicContact CB-CG2 3.97Å; Y29-V102 PolarHBondContact O-N 2.84Å; L30-V102 HydrophobicContact CD2-CB 4.49Å; Y100-V102 PolarHBondContact O-N 3.02Å
103	P	84.8	Confident	64.4	Low	78 Å²	78	80.5 Å²	80.5	51%	0.506	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-74.2	168.7	179	33.5	-36.7	0	0	0	112.2	S5 H8 A101	S5-P103 WeakPolarHBondContact O-CA 3.14Å; H8-P103 VanDerWaalsContact CE1-C 3.49Å; H8-P103 PolarHBondContact CE1-O 3.01Å; A101-P103 WeakPolarHBondContact O-CD 3.32Å
104	H	79.7	Confident	62.7	Low	91 Å²	91	84.7 Å²	84.7	42%	0.421	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-63.2	139.2	167.6	-53.1	-46.7	0	0	0	111.5	Y7 H8 T106	Y7-H104 PolarHBondContact O-CE1 3.13Å; Y7-H104 VanDerWaalsContact O-CE1 3.31Å; H8-H104 AromaticContact CD2-CE1 3.97Å; H8-H104 AromaticContact CD2-ND1 3.8Å; H8-H104 AromaticContact CE1-ND1 3.34Å; H8-H104 PolarHBondContact CE1-ND1 3.22Å; H8-H104 VanDerWaalsContact CE1-ND1 3.34Å; H8-H104 AromaticContact CG-CE1 3.77Å; H8-H104 AromaticContact CG-ND1 3.46Å; H8-H104 AromaticContact ND1-CE1 3.92Å; H8-H104 AromaticContact ND1-ND1 3.13Å; H8-H104 PolarHBondContact ND1-ND1 3.11Å; H8-H104 VanDerWaalsContact ND1-ND1 3.13Å; H8-H104 AromaticContact NE2-ND1 3.7Å; H104-T106 PolarHBondContact O-N 3.12Å; H104-T106 VanDerWaalsContact O-N 3.08Å
105	D	63.7	Low	60.4	Low	72 Å²	72	90.4 Å²	90.4	39%	0.385	53%	0.525	S	S	.	.			trans	-66.4	102.6	163.9	-63	-44.1	0	0	0	108.2	R15 L19 R22 D107	R15-D105 IonicContact CZ-OD2 3.38Å; R15-D105 IonicContact NE-OD2 2.72Å; R15-D105 IonicContact NH2-OD2 3.2Å; R15-D105 PolarHBondContact NH2-OD2 3.01Å; L19-D105 WeakPolarHBondContact CD2-OD2 3.08Å; R22-D105 IonicContact NH2-OD1 2.72Å; R22-D105 PolarHBondContact NH2-OD1 3.02Å; R22-D105 IonicContact NH2-OD2 2.71Å; R22-D105 PolarHBondContact NH2-OD2 3.1Å; D105-D107 VanDerWaalsContact C-N 3.27Å; D105-D107 PolarHBondContact O-N 3.23Å
106	T	44.3	Very low	58.2	Low	132 Å²	132	96.5 Å²	96.5	81%	0.81	55%	0.549	S	S	*	.			trans	-86.5	69.5	169.7	56.6	0	0	0	0	110	H104 T108	H104-T106 PolarHBondContact O-N 3.12Å; H104-T106 VanDerWaalsContact O-N 3.08Å; T106-T108 PolarHBondContact O-N 2.83Å
107	D	36.1	Very low	55.6	Low	139 Å²	139	103.7 Å²	103.7	74%	0.743	58%	0.58	S	S	*	*			trans	-64.8	122.1	168.7	-85.1	-39.9	0	0	0	109.5	D105 G109	D105-D107 VanDerWaalsContact C-N 3.27Å; D105-D107 PolarHBondContact O-N 3.23Å; D107-G109 PolarHBondContact O-N 2.83Å
108	T	33.5	Very low	53.1	Low	142 Å²	142	106.9 Å²	106.9	87%	0.871	60%	0.6	S	S	*	*			trans	-68	100	164.8	47.7	0	0	0	0	107.9	T106	T106-T108 PolarHBondContact O-N 2.83Å
109	G	33.5	Very low	49.7	Very low	72 Å²	72	112 Å²	112	74%	0.742	64%	0.636	S	S	*	*			trans	-72.2	-173.3	177.9	0	0	0	0	0	113.3	D107	D107-G109 PolarHBondContact O-N 2.83Å
110	D	31.4	Very low	47.3	Very low	155 Å²	155	112.6 Å²	112.6	83%	0.829	65%	0.646	S	S	*	*			trans	-143.5	157.1	173	-147.3	-9.9	0	0	0	111.5
111	E	32.7	Very low	44.3	Very low	159 Å²	159	114.1 Å²	114.1	74%	0.743	67%	0.665	S	S	*	*			trans	62.3	107.1	170.5	-72.4	-62.7	162.8	0	0	122
112	S	29.4	Very low	41.1	Very low	105 Å²	105	120.7 Å²	120.7	73%	0.734	69%	0.688	S	S	*	*				87	104.1	126.4	-133.3	0	0	0	0	122.1
113	S	29	Very low	38	Very low	100 Å²	100	124.1 Å²	124.1	70%	0.699	72%	0.718	S	S	*	*				172.7	114	89	-174	0	0	0	0	113.7
114	D	31	Very low	35.9	Very low	139 Å²	139	126.2 Å²	126.2	74%	0.743	73%	0.732	S	S	*	*			trans	48.5	127	145.6	-52.5	-22.2	0	0	0	126
115	D	31.7	Very low	33.4	Very low	144 Å²	144	128 Å²	128	77%	0.77	75%	0.749	S	S	*	*			trans	52.6	141.2	144.2	-83.5	-39.4	0	0	0	121.8
116	E	29.7	Very low	31.7	Very low	192 Å²	192	131.3 Å²	131.3	90%	0.897	77%	0.767	S	S	*	*			cis	-133.4	165.4	37.9	-76	-165.7	109.8	0	0	118.3
117	K	29.7	Very low	30.8	Very low	181 Å²	181	131 Å²	131	79%	0.787	77%	0.765	S	S	*	*			trans	-63.6	-180	171.8	-87.1	179.4	166.3	168.4	0	117.3
118	P	35.6	Very low	30.5	Very low	97 Å²	97	130.2 Å²	130.2	63%	0.63	77%	0.765	S	S	*	*			cis	-148.2	144.4	-41.8	40.1	-21.1	0	0	0	117.7
119	S	21.9	Very low	30.1	Very low	111 Å²	111	128.1 Å²	128.1	78%	0.776	76%	0.756	S	S	*	*			trans	59.7	-173.6	137.7	81.4	0	0	0	0	120.1
120	P	40	Very low	29.8	Very low	100 Å²	100	133.1 Å²	133.1	65%	0.649	77%	0.765	S	S	*	*			cis	-133.4	172.1	-12.9	37.2	-18.9	0	0	0	116.7
121	V	28.5	Very low	30	Very low	131 Å²	131	132.3 Å²	132.3	79%	0.794	77%	0.765	S	S	*	*			trans	59.5	155.8	162	-75.9	0	0	0	0	119.2
122	Q	25.1	Very low	29.7	Very low	180 Å²	180	128.1 Å²	128.1	84%	0.841	77%	0.765	S	S	*	*			cis	-147.1	152	13.7	-146.5	158.7	40.1	0	0	113.5
123	A	27.2	Very low	29.8	Very low	86 Å²	86	129.3 Å²	129.3	71%	0.711	77%	0.768	S	S	*	*			trans	-111.2	164.8	167.3	0	0	0	0	0	110.2
124	P	41	Very low	30.3	Very low	123 Å²	123	130.6 Å²	130.6	80%	0.799	77%	0.774	S	S	*	*				-142.5	-170.4	82.8	31.5	-8	0	0	0	111.9
125	V	26.6	Very low	30.4	Very low	127 Å²	127	130.6 Å²	130.6	77%	0.77	78%	0.779	S	S	*	*			cis	-147.4	155.5	30	-178.4	0	0	0	0	111.7
126	N	27.2	Very low	30.9	Very low	142 Å²	142	133 Å²	133	76%	0.759	78%	0.782	S	S	*	*			trans	-68.2	170.5	178.6	-50.8	-51.2	0	0	0	113
127	T	26.5	Very low	31.4	Very low	126 Å²	126	129.8 Å²	129.8	77%	0.773	78%	0.779	S	S	*	*				-167.2	115.2	76.1	-55.4	0	0	0	0	113.1
128	V	29.1	Very low	32.5	Very low	122 Å²	122	124.2 Å²	124.2	74%	0.739	77%	0.766	S	S	*	*				17.1	139.2	127.6	173.2	0	0	0	0	117.8
129	S	25.9	Very low	33.4	Very low	98 Å²	98	124.8 Å²	124.8	69%	0.685	77%	0.768	S	S	*	*			cis	-177.6	162.6	-13.1	-88.2	0	0	0	0	107.9
130	L	27.3	Very low	35	Very low	177 Å²	177	123 Å²	123	93%	0.927	75%	0.747	S	S	*	*			trans	-167.5	155	134.3	-108.8	158.1	0	0	0	112.2
131	V	34.1	Very low	35.8	Very low	138 Å²	138	121 Å²	121	84%	0.836	74%	0.74	S	S	*	*			trans	-100.6	140.1	-173.6	172	0	0	0	0	110.8
132	G	27.8	Very low	37.4	Very low	72 Å²	72	120 Å²	120	74%	0.742	73%	0.729	S	S	*	*			trans	-130.2	146	167.5	0	0	0	0	0	111.1
133	T	31.3	Very low	39.2	Very low	130 Å²	130	116.9 Å²	116.9	80%	0.798	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-81.6	158.7	-174.9	30	0	0	0	0	113.6
134	P	38.9	Very low	40.8	Very low	126 Å²	126	114.9 Å²	114.9	82%	0.818	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-69.2	133.4	-175.7	27.8	-35.4	0	0	0	112.6
135	T	33.9	Very low	41.7	Very low	139 Å²	139	114.8 Å²	114.8	85%	0.853	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-82.6	155.5	172.2	38.6	0	0	0	0	112
136	K	40.9	Very low	43.5	Very low	194 Å²	194	115.2 Å²	115.2	84%	0.843	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-67.2	154.8	179.5	-66.6	178.7	-179.8	178.5	0	111.6
137	P	40	Very low	45.1	Very low	126 Å²	126	110.5 Å²	110.5	82%	0.818	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-56.7	144.6	169.7	25.3	-35.1	0	0	0	111.4
138	A	54.3	Low	46.6	Very low	63 Å²	63	111.7 Å²	111.7	52%	0.521	65%	0.646	S	S	.	*	P	Polyproline II helix	trans	-68.8	139.8	-172.2	0	0	0	0	0	112.9	Q140 A141	A138-Q140 PolarHBondContact O-N 2.94Å; A138-A141 PolarHBondContact O-N 3.04Å
139	T	53.2	Low	48.1	Very low	109 Å²	109	113 Å²	113	67%	0.669	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.2	-19.1	-175	-33.3	0	0	0	0	114.2	A141 F143	T139-A141 VanDerWaalsContact C-N 3.31Å; T139-A141 PolarHBondContact O-N 2.78Å; T139-F143 WeakPolarHBondContact O-CD2 3.4Å
140	Q	56.3	Low	49.5	Very low	74 Å²	74	114.1 Å²	114.1	35%	0.346	64%	0.639	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64	-30.6	178.6	-70	160.3	-56.9	0	0	113.3	A138 L142 F143 L144	A138-Q140 PolarHBondContact O-N 2.94Å; Q140-L142 VanDerWaalsContact C-N 3.32Å; Q140-L142 PolarHBondContact O-N 3.2Å; Q140-F143 PolarHBondContact O-N 2.89Å; Q140-F143 VanDerWaalsContact O-N 3.1Å; Q140-L144 PolarHBondContact O-N 2.75Å
141	A	57.7	Low	50.5	Low	59 Å²	59	111.5 Å²	111.5	49%	0.488	63%	0.627	S	S	.	*	H	α-helix	trans	-58.5	-40.9	-176.5	0	0	0	0	0	113	A138 T139 F143 L144 E145	A138-A141 PolarHBondContact O-N 3.04Å; T139-A141 VanDerWaalsContact C-N 3.31Å; T139-A141 PolarHBondContact O-N 2.78Å; A141-F143 PolarHBondContact O-N 3.3Å; A141-L144 PolarHBondContact O-N 2.94Å; A141-E145 PolarHBondContact O-N 3.24Å
142	L	62	Low	51.4	Low	109 Å²	109	108.3 Å²	108.3	57%	0.571	61%	0.608	S	S	*	*	H	α-helix	trans	-67	-18.3	179.6	-76.7	164.3	0	0	0	114.2	Q140	Q140-L142 VanDerWaalsContact C-N 3.32Å; Q140-L142 PolarHBondContact O-N 3.2Å
143	F	62.7	Low	52.4	Low	115 Å²	115	109.8 Å²	109.8	50%	0.504	61%	0.606	S	S	.	*	H	α-helix	trans	-88.5	-35.8	174.1	-68	-81.9	0	0	0	111.6	T139 Q140 A141 L147 L167	T139-F143 WeakPolarHBondContact O-CD2 3.4Å; Q140-F143 PolarHBondContact O-N 2.89Å; Q140-F143 VanDerWaalsContact O-N 3.1Å; A141-F143 PolarHBondContact O-N 3.3Å; F143-L147 WeakPolarHBondContact O-CB 3.26Å; F143-L147 PolarHBondContact O-N 3.07Å; F143-L167 HydrophobicContact CB-CD2 4.15Å
144	L	60.1	Low	53.2	Low	44 Å²	44	111.1 Å²	111.1	23%	0.23	61%	0.608	C	S	.	*	H	α-helix	trans	-67	-43.8	175.2	-72	163.6	0	0	0	111.8	Q140 A141 K146 L147 L148 L167 F168	Q140-L144 PolarHBondContact O-N 2.75Å; A141-L144 PolarHBondContact O-N 2.94Å; L144-K146 VanDerWaalsContact C-N 3.32Å; L144-K146 PolarHBondContact O-N 3.08Å; L144-L147 PolarHBondContact O-N 3.03Å; L144-L147 VanDerWaalsContact O-N 3.11Å; L144-L148 VanDerWaalsContact O-CG 3.32Å; L144-L148 WeakPolarHBondContact O-CG 3.48Å; L144-L148 PolarHBondContact O-N 3.02Å; L144-L167 HydrophobicContact CD2-CD1 4.37Å; L144-F168 HydrophobicContact CD1-CE1 3.84Å; L144-F168 HydrophobicContact CD1-CZ 3.66Å; L144-F168 HydrophobicContact CD2-CE1 4.39Å; L144-F168 HydrophobicContact CD2-CE2 3.74Å; L144-F168 HydrophobicContact CD2-CZ 3.51Å; L144-F168 HydrophobicContact CG-CZ 4.23Å
145	E	60.1	Low	53.7	Low	120 Å²	120	109.2 Å²	109.2	56%	0.561	59%	0.591	S	S	*	*	H	α-helix	trans	-55.2	-47.3	175.7	-167.6	168	-140.2	0	0	111	A141 L147 L148 E149	A141-E145 PolarHBondContact O-N 3.24Å; E145-L147 PolarHBondContact O-N 2.86Å; E145-L148 PolarHBondContact O-N 2.71Å; E145-E149 WeakPolarHBondContact O-CG 3.28Å; E145-E149 PolarHBondContact O-N 3.08Å
146	K	63.6	Low	54.8	Low	137 Å²	137	105.6 Å²	105.6	60%	0.596	58%	0.575	S	S	*	*	H	α-helix	trans	-67.8	-32.1	175.1	-73.8	-176.8	174.3	-177.3	0	114.7	L144 L148 E149 M150	L144-K146 VanDerWaalsContact C-N 3.32Å; L144-K146 PolarHBondContact O-N 3.08Å; K146-L148 VanDerWaalsContact C-N 3.28Å; K146-E149 PolarHBondContact O-N 3.32Å; K146-M150 WeakPolarHBondContact O-CG 3.49Å; K146-M150 PolarHBondContact O-N 2.86Å
147	L	61.3	Low	55.8	Low	43 Å²	43	99 Å²	99	23%	0.225	56%	0.562	C	S	.	*	H	α-helix	trans	-68	-33.3	175.1	-160.4	80.2	0	0	0	111	F143 L144 E145 L167	F143-L147 WeakPolarHBondContact O-CB 3.26Å; F143-L147 PolarHBondContact O-N 3.07Å; L144-L147 PolarHBondContact O-N 3.03Å; L144-L147 VanDerWaalsContact O-N 3.11Å; E145-L147 PolarHBondContact O-N 2.86Å; L147-L167 HydrophobicContact CD2-CD1 3.96Å
148	L	58.6	Low	57	Low	151 Å²	151	100.9 Å²	100.9	79%	0.791	56%	0.56	S	S	*	*	H	α-helix	trans	-77.1	-30.4	175.9	-66.6	166.2	0	0	0	112.7	L144 E145 K146 M150	L144-L148 VanDerWaalsContact O-CG 3.32Å; L144-L148 WeakPolarHBondContact O-CG 3.48Å; L144-L148 PolarHBondContact O-N 3.02Å; E145-L148 PolarHBondContact O-N 2.71Å; K146-L148 VanDerWaalsContact C-N 3.28Å; L148-M150 VanDerWaalsContact C-N 3.27Å; L148-M150 PolarHBondContact O-N 3.01Å
149	E	59.5	Low	57.8	Low	150 Å²	150	100.1 Å²	100.1	70%	0.701	55%	0.549	S	S	*	.	H	α-helix	trans	-67.9	-23.1	171.3	-73.9	-175.8	138.9	0	0	113.4	E145 K146 N151	E145-E149 WeakPolarHBondContact O-CG 3.28Å; E145-E149 PolarHBondContact O-N 3.08Å; K146-E149 PolarHBondContact O-N 3.32Å; E149-N151 PolarHBondContact O-N 3.38Å
150	M	55.4	Low	58.9	Low	120 Å²	120	97.1 Å²	97.1	59%	0.591	53%	0.528	S	S	*	.	S	Bend	trans	-72.3	124	178.4	-73.3	-176	69.4	0	0	111	K146 L148 T152	K146-M150 WeakPolarHBondContact O-CG 3.49Å; K146-M150 PolarHBondContact O-N 2.86Å; L148-M150 VanDerWaalsContact C-N 3.27Å; L148-M150 PolarHBondContact O-N 3.01Å; M150-T152 PolarHBondContact O-N 3.47Å
151	N	48.8	Very low	59.8	Low	123 Å²	123	95 Å²	95	66%	0.658	53%	0.526	S	S	*	.			trans	-72.2	89	-176.1	-169.7	-25.2	0	0	0	111.6	E149 S153	E149-N151 PolarHBondContact O-N 3.38Å; N151-S153 PolarHBondContact O-N 3.12Å; N151-S153 VanDerWaalsContact O-N 3.08Å; N151-S153 WeakPolarHBondContact OD1-CB 3.44Å; N151-S153 PolarHBondContact OD1-OG 3.02Å
152	T	53.4	Low	60.8	Low	71 Å²	71	94.5 Å²	94.5	44%	0.436	52%	0.515	S	S	.	.			trans	-72.2	7.8	-173	46.1	0	0	0	0	115.5	M150 N154 I155 I160	M150-T152 PolarHBondContact O-N 3.47Å; T152-N154 PolarHBondContact O-N 3.27Å; T152-I155 PolarHBondContact O-N 3.13Å; T152-I160 HydrophobicContact CG2-CD1 3.63Å; T152-I160 HydrophobicContact CG2-CG1 4.44Å
153	S	47.4	Very low	61.6	Low	102 Å²	102	92 Å²	92	71%	0.713	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-2.2	-173	55.8	0	0	0	0	116.5	N151	N151-S153 PolarHBondContact O-N 3.12Å; N151-S153 VanDerWaalsContact O-N 3.08Å; N151-S153 WeakPolarHBondContact OD1-CB 3.44Å; N151-S153 PolarHBondContact OD1-OG 3.02Å
154	N	49.3	Very low	62.3	Low	158 Å²	158	88.8 Å²	88.8	85%	0.845	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-145.6	26.8	-178.7	-154.7	37.9	0	0	0	114	T152	T152-N154 PolarHBondContact O-N 3.27Å
155	I	49.4	Very low	63.3	Low	87 Å²	87	91.4 Å²	91.4	45%	0.446	50%	0.504	S	S	.	.	S	Bend	trans	-117.3	138.9	178.4	-61.2	176.3	0	0	0	109.5	T152 G157 V159 I160	T152-I155 PolarHBondContact O-N 3.13Å; I155-G157 PolarHBondContact O-N 3.28Å; I155-V159 HydrophobicContact CG2-CB 4.39Å; I155-I160 HydrophobicContact CB-CD1 4.3Å; I155-I160 HydrophobicContact CG2-CD1 4.19Å; I155-I160 HydrophobicContact CG2-CG1 4.09Å
156	A	56.6	Low	64.4	Low	63 Å²	63	86.4 Å²	86.4	52%	0.521	48%	0.48	S	S	.	.			trans	-65	130.4	176.4	0	0	0	0	0	111.3	E158 V159	A156-E158 PolarHBondContact O-N 2.7Å; A156-E158 VanDerWaalsContact O-N 3.1Å; A156-V159 PolarHBondContact O-N 2.95Å; A156-V159 VanDerWaalsContact O-N 3.11Å
157	G	61.1	Low	65.2	Low	56 Å²	56	81.1 Å²	81.1	58%	0.577	46%	0.458	S	S	*	.	H	α-helix	trans	-58.8	-27.1	-173.2	0	0	0	0	0	114.7	I155 V159 I160 G161	I155-G157 PolarHBondContact O-N 3.28Å; G157-V159 VanDerWaalsContact C-N 3.34Å; G157-V159 PolarHBondContact O-N 2.91Å; G157-I160 PolarHBondContact O-N 3.38Å; G157-G161 PolarHBondContact O-N 2.73Å
158	E	66.4	Low	65.9	Low	164 Å²	164	84.6 Å²	84.6	77%	0.766	47%	0.472	S	S	*	.	H	α-helix	trans	-60.4	-40.2	176.9	-61.9	175.5	172	0	0	112.5	A156 I160 G161 L162	A156-E158 PolarHBondContact O-N 2.7Å; A156-E158 VanDerWaalsContact O-N 3.1Å; E158-I160 VanDerWaalsContact C-N 3.32Å; E158-I160 PolarHBondContact O-N 3.23Å; E158-G161 PolarHBondContact O-N 2.89Å; E158-L162 WeakPolarHBondContact O-CG 3.48Å; E158-L162 PolarHBondContact O-N 2.68Å
159	V	71.6	Confident	66.8	Low	48 Å²	48	81.1 Å²	81.1	29%	0.291	46%	0.46	S	S	.	.	H	α-helix	trans	-68.8	-35.1	177.7	-179	0	0	0	0	110.9	I155 A156 G157 L163 A195	I155-V159 HydrophobicContact CG2-CB 4.39Å; A156-V159 PolarHBondContact O-N 2.95Å; A156-V159 VanDerWaalsContact O-N 3.11Å; G157-V159 VanDerWaalsContact C-N 3.34Å; G157-V159 PolarHBondContact O-N 2.91Å; V159-L163 HydrophobicContact CG1-CD1 4.17Å; V159-L163 WeakPolarHBondContact O-CB 3.16Å; V159-L163 VanDerWaalsContact O-CG 3.3Å; V159-L163 WeakPolarHBondContact O-CG 3.42Å; V159-L163 PolarHBondContact O-N 2.84Å; V159-A195 HydrophobicContact CG1-CB 4.36Å
160	I	74.7	Confident	67.8	Low	46 Å²	46	76 Å²	76	24%	0.236	44%	0.438	C	S	.	.	H	α-helix	trans	-69.8	-36.2	175.1	-62	167.6	0	0	0	110.2	T152 I155 G157 E158 N164	T152-I160 HydrophobicContact CG2-CD1 3.63Å; T152-I160 HydrophobicContact CG2-CG1 4.44Å; I155-I160 HydrophobicContact CB-CD1 4.3Å; I155-I160 HydrophobicContact CG2-CD1 4.19Å; I155-I160 HydrophobicContact CG2-CG1 4.09Å; G157-I160 PolarHBondContact O-N 3.38Å; E158-I160 VanDerWaalsContact C-N 3.32Å; E158-I160 PolarHBondContact O-N 3.23Å; I160-N164 PolarHBondContact O-N 2.85Å; I160-N164 PolarHBondContact O-ND2 3.19Å
161	G	75.2	Confident	69.1	Low	30 Å²	30	71.3 Å²	71.3	31%	0.309	42%	0.415	S	S	.	.	H	α-helix	trans	-57.9	-58.2	170.2	0	0	0	0	0	111.8	G157 E158 L163 N164 D165	G157-G161 PolarHBondContact O-N 2.73Å; E158-G161 PolarHBondContact O-N 2.89Å; G161-L163 VanDerWaalsContact C-N 3.27Å; G161-L163 PolarHBondContact O-N 2.63Å; G161-N164 PolarHBondContact O-N 2.97Å; G161-D165 PolarHBondContact O-N 2.94Å
162	L	80.4	Confident	70.7	Confident	48 Å²	48	68.1 Å²	68.1	25%	0.251	40%	0.401	S	S	.	.	H	α-helix	trans	-55.9	-37.6	179	-69.1	171.6	0	0	0	113.2	E158 Y166 T191 T194 A195	E158-L162 WeakPolarHBondContact O-CG 3.48Å; E158-L162 PolarHBondContact O-N 2.68Å; L162-Y166 WeakPolarHBondContact O-CB 3.29Å; L162-Y166 PolarHBondContact O-N 3.26Å; L162-T191 HydrophobicContact CB-CG2 4.05Å; L162-T191 VanDerWaalsContact O-CG2 3.31Å; L162-T191 WeakPolarHBondContact O-CG2 3.45Å; L162-T194 HydrophobicContact CD1-CG2 4.09Å; L162-T194 HydrophobicContact CD2-CG2 4.19Å; L162-A195 HydrophobicContact CD1-CB 3.95Å
163	L	77.5	Confident	72.1	Confident	57 Å²	57	68.4 Å²	68.4	30%	0.298	40%	0.399	S	S	.	.	H	α-helix	trans	-69.4	-38.1	175.7	-75.7	168.9	0	0	0	112.8	V159 G161 L167	V159-L163 HydrophobicContact CG1-CD1 4.17Å; V159-L163 WeakPolarHBondContact O-CB 3.16Å; V159-L163 VanDerWaalsContact O-CG 3.3Å; V159-L163 WeakPolarHBondContact O-CG 3.42Å; V159-L163 PolarHBondContact O-N 2.84Å; G161-L163 VanDerWaalsContact C-N 3.27Å; G161-L163 PolarHBondContact O-N 2.63Å; L163-L167 VanDerWaalsContact O-CG 3.3Å; L163-L167 WeakPolarHBondContact O-CG 3.46Å; L163-L167 PolarHBondContact O-N 3.39Å
164	N	77.9	Confident	73.9	Confident	46 Å²	46	63.6 Å²	63.6	25%	0.246	37%	0.366	C	S	.	.	H	α-helix	trans	-67.6	-46.7	173.9	-80.7	-73	0	0	0	111.2	I160 G161 Y166 L167 F168	I160-N164 PolarHBondContact O-N 2.85Å; I160-N164 PolarHBondContact O-ND2 3.19Å; G161-N164 PolarHBondContact O-N 2.97Å; N164-Y166 PolarHBondContact O-N 3.5Å; N164-L167 PolarHBondContact O-N 3.15Å; N164-L167 VanDerWaalsContact O-N 3.08Å; N164-F168 HydrophobicContact CB-CD2 4.31Å; N164-F168 HydrophobicContact CB-CE2 4.47Å; N164-F168 VanDerWaalsContact O-CD2 3.26Å; N164-F168 WeakPolarHBondContact O-CD2 3.42Å; N164-F168 PolarHBondContact O-N 2.88Å
165	D	80.2	Confident	75.4	Confident	99 Å²	99	59.8 Å²	59.8	53%	0.529	35%	0.345	S	S	.	.	H	α-helix	trans	-55.2	-42.1	176.3	-70.6	-27.7	0	0	0	110.9	G161 S169	G161-D165 PolarHBondContact O-N 2.94Å; D165-S169 WeakPolarHBondContact O-CA 3.3Å; D165-S169 VanDerWaalsContact O-CB 3.24Å; D165-S169 WeakPolarHBondContact O-CB 3.47Å; D165-S169 PolarHBondContact O-N 2.71Å; D165-S169 PolarHBondContact O-OG 3.1Å
166	Y	84.6	Confident	76.9	Confident	16 Å²	16	60.4 Å²	60.4	6%	0.063	35%	0.346	C	S	.	.	I	π-helix	trans	-61.9	-52.3	172.7	175.5	-97.2	0	0	0	112.8	L162 N164 F168 D170 L171 H187 L188	L162-Y166 WeakPolarHBondContact O-CB 3.29Å; L162-Y166 PolarHBondContact O-N 3.26Å; N164-Y166 PolarHBondContact O-N 3.5Å; Y166-F168 VanDerWaalsContact C-N 3.3Å; Y166-F168 PolarHBondContact O-N 2.86Å; Y166-D170 HydrophobicContact CD2-CB 3.56Å; Y166-D170 HydrophobicContact CE2-CB 4Å; Y166-D170 HydrophobicContact CG-CB 4.43Å; Y166-D170 PolarHBondContact O-N 3.21Å; Y166-D170 VanDerWaalsContact O-N 3.13Å; Y166-L171 HydrophobicContact CD1-CB 4.39Å; Y166-L171 HydrophobicContact CE1-CB 3.91Å; Y166-L171 HydrophobicContact CE1-CD1 3.93Å; Y166-L171 HydrophobicContact CE1-CG 4.43Å; Y166-L171 HydrophobicContact CE2-CB 4.5Å; Y166-L171 VanDerWaalsContact O-CB 3.27Å; Y166-L171 WeakPolarHBondContact O-CB 3.35Å; Y166-L171 PolarHBondContact O-N 3.29Å; Y166-L171 WeakPolarHBondContact OH-CD1 3.36Å; Y166-H187 HydrophobicContact CE2-CB 4.19Å; Y166-L188 HydrophobicContact CD1-CD1 4.15Å; Y166-L188 HydrophobicContact CD2-CB 4.48Å; Y166-L188 HydrophobicContact CE1-CD1 3.88Å; Y166-L188 HydrophobicContact CE2-CB 3.72Å; Y166-L188 HydrophobicContact CE2-CD1 4.3Å; Y166-L188 HydrophobicContact CG-CD1 4.47Å
167	L	79.5	Confident	78.1	Confident	25 Å²	25	59.7 Å²	59.7	13%	0.131	33%	0.333	C	S	.	.	I	π-helix	trans	-61.6	-34.9	-177.1	-72.3	175.1	0	0	0	113.6	F143 L144 L147 L163 N164 L171	F143-L167 HydrophobicContact CB-CD2 4.15Å; L144-L167 HydrophobicContact CD2-CD1 4.37Å; L147-L167 HydrophobicContact CD2-CD1 3.96Å; L163-L167 VanDerWaalsContact O-CG 3.3Å; L163-L167 WeakPolarHBondContact O-CG 3.46Å; L163-L167 PolarHBondContact O-N 3.39Å; N164-L167 PolarHBondContact O-N 3.15Å; N164-L167 VanDerWaalsContact O-N 3.08Å; L167-L171 HydrophobicContact CD2-CD2 3.93Å
168	F	75.4	Confident	79.1	Confident	117 Å²	117	60.5 Å²	60.5	51%	0.513	33%	0.326	S	S	.	.	I	π-helix	trans	-89.4	-35.2	-178.2	-73.5	-68.9	0	0	0	114	L144 N164 Y166	L144-F168 HydrophobicContact CD1-CE1 3.84Å; L144-F168 HydrophobicContact CD1-CZ 3.66Å; L144-F168 HydrophobicContact CD2-CE1 4.39Å; L144-F168 HydrophobicContact CD2-CE2 3.74Å; L144-F168 HydrophobicContact CD2-CZ 3.51Å; L144-F168 HydrophobicContact CG-CZ 4.23Å; N164-F168 HydrophobicContact CB-CD2 4.31Å; N164-F168 HydrophobicContact CB-CE2 4.47Å; N164-F168 VanDerWaalsContact O-CD2 3.26Å; N164-F168 WeakPolarHBondContact O-CD2 3.42Å; N164-F168 PolarHBondContact O-N 2.88Å; Y166-F168 VanDerWaalsContact C-N 3.3Å; Y166-F168 PolarHBondContact O-N 2.86Å
169	S	77.8	Confident	79.7	Confident	78 Å²	78	60.1 Å²	60.1	55%	0.545	32%	0.324	S	S	.	.	I	π-helix	trans	-112.7	-45.5	-169.5	-52.2	0	0	0	0	114.4	D165	D165-S169 WeakPolarHBondContact O-CA 3.3Å; D165-S169 VanDerWaalsContact O-CB 3.24Å; D165-S169 WeakPolarHBondContact O-CB 3.47Å; D165-S169 PolarHBondContact O-N 2.71Å; D165-S169 PolarHBondContact O-OG 3.1Å
170	D	81.8	Confident	80.2	Confident	42 Å²	42	64.8 Å²	64.8	23%	0.225	34%	0.341	C	S	.	.	I	π-helix	trans	-94.5	-31.6	-172.6	-84.3	-47.9	0	0	0	114	Y166 P172 L173 D174 H187	Y166-D170 HydrophobicContact CD2-CB 3.56Å; Y166-D170 HydrophobicContact CE2-CB 4Å; Y166-D170 HydrophobicContact CG-CB 4.43Å; Y166-D170 PolarHBondContact O-N 3.21Å; Y166-D170 VanDerWaalsContact O-N 3.13Å; D170-P172 VanDerWaalsContact C-CD 3.44Å; D170-P172 VanDerWaalsContact C-N 3.33Å; D170-L173 WeakPolarHBondContact O-CA 3.48Å; D170-L173 VanDerWaalsContact O-CB 3.3Å; D170-L173 WeakPolarHBondContact O-CB 3.34Å; D170-L173 PolarHBondContact O-N 2.93Å; D170-D174 PolarHBondContact O-N 2.96Å; D170-D174 VanDerWaalsContact O-N 3.14Å; D170-H187 HydrophobicContact CB-CB 3.72Å; D170-H187 IonicContact OD1-CE1 2.76Å; D170-H187 IonicContact OD1-CG 3.43Å; D170-H187 IonicContact OD1-ND1 3.88Å; D170-H187 PolarHBondContact OD1-ND1 3.22Å
171	L	81.8	Confident	80.4	Confident	22 Å²	22	65.5 Å²	65.5	12%	0.115	36%	0.36	C	S	.	.	H	α-helix	trans	-54	-40.4	179.4	173.5	65.9	0	0	0	112.9	Y166 L167 L173 D174 I175	Y166-L171 HydrophobicContact CD1-CB 4.39Å; Y166-L171 HydrophobicContact CE1-CB 3.91Å; Y166-L171 HydrophobicContact CE1-CD1 3.93Å; Y166-L171 HydrophobicContact CE1-CG 4.43Å; Y166-L171 HydrophobicContact CE2-CB 4.5Å; Y166-L171 VanDerWaalsContact O-CB 3.27Å; Y166-L171 WeakPolarHBondContact O-CB 3.35Å; Y166-L171 PolarHBondContact O-N 3.29Å; Y166-L171 WeakPolarHBondContact OH-CD1 3.36Å; L167-L171 HydrophobicContact CD2-CD2 3.93Å; L171-L173 PolarHBondContact O-N 2.79Å; L171-D174 PolarHBondContact O-N 3.08Å; L171-I175 HydrophobicContact CD1-CD1 3.83Å; L171-I175 HydrophobicContact CD1-CG1 4.02Å; L171-I175 HydrophobicContact CD2-CD1 4.45Å; L171-I175 HydrophobicContact CG-CD1 3.78Å; L171-I175 HydrophobicContact CG-CG1 4.39Å; L171-I175 WeakPolarHBondContact O-CB 3.49Å; L171-I175 VanDerWaalsContact O-CG1 3.24Å; L171-I175 WeakPolarHBondContact O-CG1 3.3Å; L171-I175 PolarHBondContact O-N 3.18Å
172	P	82.6	Confident	80.5	Confident	55 Å²	55	65.1 Å²	65.1	36%	0.357	36%	0.356	S	S	.	.	H	α-helix	trans	-58.7	-34.1	172.8	-25.2	36	0	0	0	113.6	D170 E176	D170-P172 VanDerWaalsContact C-CD 3.44Å; D170-P172 VanDerWaalsContact C-N 3.33Å; P172-E176 WeakPolarHBondContact O-CB 3.39Å; P172-E176 PolarHBondContact O-N 3.46Å
173	L	83.9	Confident	80.5	Confident	78 Å²	78	69.6 Å²	69.6	41%	0.408	39%	0.385	S	S	.	.	H	α-helix	trans	-74.2	-42.8	-178.5	-52.8	176.7	0	0	0	111.3	D170 L171 E176 N177 H187	D170-L173 WeakPolarHBondContact O-CA 3.48Å; D170-L173 VanDerWaalsContact O-CB 3.3Å; D170-L173 WeakPolarHBondContact O-CB 3.34Å; D170-L173 PolarHBondContact O-N 2.93Å; L171-L173 PolarHBondContact O-N 2.79Å; L173-E176 PolarHBondContact O-N 3.27Å; L173-N177 WeakPolarHBondContact O-CB 3.49Å; L173-N177 PolarHBondContact O-N 3.45Å; L173-H187 VanDerWaalsContact CD1-CE1 3.46Å; L173-H187 WeakPolarHBondContact CD1-CE1 3.23Å
174	D	84.8	Confident	80.3	Confident	1 Å²	1	69 Å²	69	1%	0.005	38%	0.384	C	S	.	.	H	α-helix	trans	-67.1	-36.2	173.2	-95.4	-13.3	0	0	0	111.7	D170 L171 N177 V178 L185 N186 H187 L188	D170-D174 PolarHBondContact O-N 2.96Å; D170-D174 VanDerWaalsContact O-N 3.14Å; L171-D174 PolarHBondContact O-N 3.08Å; D174-N177 PolarHBondContact O-N 2.62Å; D174-V178 WeakPolarHBondContact O-CG2 3.48Å; D174-V178 PolarHBondContact O-N 2.74Å; D174-L185 HydrophobicContact CB-CD2 4.05Å; D174-L185 WeakPolarHBondContact OD1-CA 3.35Å; D174-L185 VanDerWaalsContact OD2-C 3.26Å; D174-L185 WeakPolarHBondContact OD2-CA 3.44Å; D174-N186 PolarHBondContact OD1-N 3.21Å; D174-N186 PolarHBondContact OD2-N 2.6Å; D174-H187 IonicContact OD1-CD2 3.85Å; D174-H187 PolarHBondContact OD1-CD2 3.29Å; D174-H187 PolarHBondContact OD1-N 3.33Å; D174-H187 VanDerWaalsContact OD1-N 3.1Å; D174-H187 WeakPolarHBondContact OD2-CA 3.38Å; D174-H187 WeakPolarHBondContact OD2-CB 3.4Å; D174-H187 PolarHBondContact OD2-N 3.27Å; D174-L188 PolarHBondContact OD2-N 3.47Å
175	I	80.9	Confident	80.6	Confident	78 Å²	78	70.3 Å²	70.3	40%	0.4	39%	0.39	S	S	.	.	H	α-helix	trans	-62.6	-44.1	171.2	-72.3	170.6	0	0	0	110.9	L171 N177 V178 H179	L171-I175 HydrophobicContact CD1-CD1 3.83Å; L171-I175 HydrophobicContact CD1-CG1 4.02Å; L171-I175 HydrophobicContact CD2-CD1 4.45Å; L171-I175 HydrophobicContact CG-CD1 3.78Å; L171-I175 HydrophobicContact CG-CG1 4.39Å; L171-I175 WeakPolarHBondContact O-CB 3.49Å; L171-I175 VanDerWaalsContact O-CG1 3.24Å; L171-I175 WeakPolarHBondContact O-CG1 3.3Å; L171-I175 PolarHBondContact O-N 3.18Å; I175-N177 VanDerWaalsContact C-N 3.35Å; I175-V178 PolarHBondContact O-N 3.5Å; I175-H179 PolarHBondContact O-N 3.22Å; I175-H179 PolarHBondContact O-ND1 3.02Å
176	E	81.4	Confident	80.6	Confident	100 Å²	100	68.6 Å²	68.6	47%	0.467	38%	0.382	S	S	.	.	H	α-helix	trans	-65.9	-37.8	177.8	-155.8	-159.3	178.5	0	0	111.7	P172 L173 H179 K180	P172-E176 WeakPolarHBondContact O-CB 3.39Å; P172-E176 PolarHBondContact O-N 3.46Å; L173-E176 PolarHBondContact O-N 3.27Å; E176-H179 PolarHBondContact O-N 3.28Å; E176-K180 HydrophobicContact CG-CD 4.49Å; E176-K180 WeakPolarHBondContact O-CG 3.43Å; E176-K180 PolarHBondContact O-N 2.88Å; E176-K180 WeakPolarHBondContact OE1-CE 3.2Å; E176-K180 IonicContact OE1-NZ 2.67Å; E176-K180 PolarHBondContact OE1-NZ 2.88Å; E176-K180 IonicContact OE2-NZ 2.93Å; E176-K180 PolarHBondContact OE2-NZ 3.05Å
177	N	81.5	Confident	80.6	Confident	47 Å²	47	69.9 Å²	69.9	25%	0.251	39%	0.388	S	S	.	.	H	α-helix	trans	-60.4	-45.4	174.3	-172.2	45.9	0	0	0	111.7	L173 D174 I175 K180 G181 G182 T184	L173-N177 WeakPolarHBondContact O-CB 3.49Å; L173-N177 PolarHBondContact O-N 3.45Å; D174-N177 PolarHBondContact O-N 2.62Å; I175-N177 VanDerWaalsContact C-N 3.35Å; N177-K180 CarbonylContact O-C 3.52Å; N177-K180 PolarHBondContact O-N 2.93Å; N177-K180 VanDerWaalsContact O-N 3.16Å; N177-G181 PolarHBondContact O-N 3.26Å; N177-G182 WeakPolarHBondContact O-CA 3.44Å; N177-G182 PolarHBondContact O-N 3.41Å; N177-T184 PolarHBondContact ND2-O 3.07Å
178	V	81.8	Confident	80.8	Confident	73 Å²	73	70.9 Å²	70.9	44%	0.442	39%	0.393	S	S	.	.	H	α-helix	trans	-65	-39.8	176.1	173	0	0	0	0	111.7	D174 I175 K180 G181 L185	D174-V178 WeakPolarHBondContact O-CG2 3.48Å; D174-V178 PolarHBondContact O-N 2.74Å; I175-V178 PolarHBondContact O-N 3.5Å; V178-K180 PolarHBondContact O-N 3.01Å; V178-G181 PolarHBondContact O-N 2.85Å; V178-L185 HydrophobicContact CG2-CD2 3.73Å
179	H	77.7	Confident	81	Confident	157 Å²	157	68.7 Å²	68.7	73%	0.727	38%	0.383	S	S	*	.	H	α-helix	trans	-63.8	-27	173.9	-78.1	83.8	0	0	0	113.2	I175 E176 G181	I175-H179 PolarHBondContact O-N 3.22Å; I175-H179 PolarHBondContact O-ND1 3.02Å; E176-H179 PolarHBondContact O-N 3.28Å; H179-G181 PolarHBondContact O-N 3.38Å
180	K	83.4	Confident	81.2	Confident	145 Å²	145	71 Å²	71	63%	0.63	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	5.6	172.1	-69.1	166.2	-176.9	168	0	113.4	E176 N177 V178	E176-K180 HydrophobicContact CG-CD 4.49Å; E176-K180 WeakPolarHBondContact O-CG 3.43Å; E176-K180 PolarHBondContact O-N 2.88Å; E176-K180 WeakPolarHBondContact OE1-CE 3.2Å; E176-K180 IonicContact OE1-NZ 2.67Å; E176-K180 PolarHBondContact OE1-NZ 2.88Å; E176-K180 IonicContact OE2-NZ 2.93Å; E176-K180 PolarHBondContact OE2-NZ 3.05Å; N177-K180 CarbonylContact O-C 3.52Å; N177-K180 PolarHBondContact O-N 2.93Å; N177-K180 VanDerWaalsContact O-N 3.16Å; V178-K180 PolarHBondContact O-N 3.01Å
181	G	78.6	Confident	81.3	Confident	62 Å²	62	69.6 Å²	69.6	64%	0.639	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.2	10.3	179.9	0	0	0	0	0	114.9	N177 V178 H179	N177-G181 PolarHBondContact O-N 3.26Å; V178-G181 PolarHBondContact O-N 2.85Å; H179-G181 PolarHBondContact O-N 3.38Å
182	G	77.1	Confident	81.2	Confident	22 Å²	22	72.1 Å²	72.1	23%	0.227	39%	0.386	C	S	.	.			trans	-66.2	131.8	175	0	0	0	0	0	112.2	N177	N177-G182 WeakPolarHBondContact O-CA 3.44Å; N177-G182 PolarHBondContact O-N 3.41Å
183	T	80.2	Confident	81.1	Confident	141 Å²	141	70 Å²	70	87%	0.865	37%	0.373	S	S	*	.			trans	-92.5	3.1	-178.5	52.1	0	0	0	0	113.9
184	T	73.7	Confident	80.9	Confident	45 Å²	45	69.2 Å²	69.2	28%	0.276	37%	0.372	S	S	.	.	S	Bend	trans	-130.3	140	-175.8	56.8	0	0	0	0	112.5	N177 N186	N177-T184 PolarHBondContact ND2-O 3.07Å; T184-N186 VanDerWaalsContact CB-OD1 3.28Å; T184-N186 WeakPolarHBondContact CB-OD1 3.36Å; T184-N186 PolarHBondContact O-N 2.93Å; T184-N186 PolarHBondContact OG1-ND2 3.26Å; T184-N186 PolarHBondContact OG1-OD1 3.08Å
185	L	83.1	Confident	80.7	Confident	73 Å²	73	70.8 Å²	70.8	38%	0.382	39%	0.385	S	S	.	.			trans	-92	87.7	171.6	-57	176.6	0	0	0	108	D174 V178 L188 K189	D174-L185 HydrophobicContact CB-CD2 4.05Å; D174-L185 WeakPolarHBondContact OD1-CA 3.35Å; D174-L185 VanDerWaalsContact OD2-C 3.26Å; D174-L185 WeakPolarHBondContact OD2-CA 3.44Å; V178-L185 HydrophobicContact CG2-CD2 3.73Å; L185-L188 HydrophobicContact CB-CB 3.9Å; L185-L188 HydrophobicContact CB-CD2 4.33Å; L185-L188 HydrophobicContact CD1-CD2 3.79Å; L185-K189 WeakPolarHBondContact O-CB 3.46Å; L185-K189 VanDerWaalsContact O-CG 3.3Å; L185-K189 WeakPolarHBondContact O-CG 3.36Å; L185-K189 PolarHBondContact O-N 3.41Å; L185-K189 VanDerWaalsContact O-N 3.12Å
186	N	81.9	Confident	80.5	Confident	64 Å²	64	69 Å²	69	34%	0.342	38%	0.379	S	S	.	.	H	α-helix	trans	-75.6	-30.8	-167.3	-68.8	-28.9	0	0	0	112.2	D174 T184 R190	D174-N186 PolarHBondContact OD1-N 3.21Å; D174-N186 PolarHBondContact OD2-N 2.6Å; T184-N186 VanDerWaalsContact CB-OD1 3.28Å; T184-N186 WeakPolarHBondContact CB-OD1 3.36Å; T184-N186 PolarHBondContact O-N 2.93Å; T184-N186 PolarHBondContact OG1-ND2 3.26Å; T184-N186 PolarHBondContact OG1-OD1 3.08Å; N186-R190 PolarHBondContact O-N 3.49Å
187	H	83.9	Confident	80.3	Confident	42 Å²	42	70 Å²	70	19%	0.194	38%	0.384	C	S	.	.	H	α-helix	trans	-83.3	-38.9	178.9	-63.1	-117	0	0	0	110.9	Y166 D170 L173 D174 K189 R190 T191	Y166-H187 HydrophobicContact CE2-CB 4.19Å; D170-H187 HydrophobicContact CB-CB 3.72Å; D170-H187 IonicContact OD1-CE1 2.76Å; D170-H187 IonicContact OD1-CG 3.43Å; D170-H187 IonicContact OD1-ND1 3.88Å; D170-H187 PolarHBondContact OD1-ND1 3.22Å; L173-H187 VanDerWaalsContact CD1-CE1 3.46Å; L173-H187 WeakPolarHBondContact CD1-CE1 3.23Å; D174-H187 IonicContact OD1-CD2 3.85Å; D174-H187 PolarHBondContact OD1-CD2 3.29Å; D174-H187 PolarHBondContact OD1-N 3.33Å; D174-H187 VanDerWaalsContact OD1-N 3.1Å; D174-H187 WeakPolarHBondContact OD2-CA 3.38Å; D174-H187 WeakPolarHBondContact OD2-CB 3.4Å; D174-H187 PolarHBondContact OD2-N 3.27Å; H187-K189 PolarHBondContact O-N 2.87Å; H187-R190 WeakPolarHBondContact O-CB 3.46Å; H187-R190 PolarHBondContact O-N 2.93Å; H187-R190 VanDerWaalsContact O-N 3.15Å; H187-T191 PolarHBondContact O-N 3.16Å; H187-T191 PolarHBondContact O-OG1 3.47Å
188	L	83.8	Confident	79.9	Confident	47 Å²	47	70.1 Å²	70.1	25%	0.246	40%	0.396	C	S	.	.	H	α-helix	trans	-59.5	-45.4	172.3	-177.3	58.2	0	0	0	111.5	Y166 D174 L185 R190 T191 L192	Y166-L188 HydrophobicContact CD1-CD1 4.15Å; Y166-L188 HydrophobicContact CD2-CB 4.48Å; Y166-L188 HydrophobicContact CE1-CD1 3.88Å; Y166-L188 HydrophobicContact CE2-CB 3.72Å; Y166-L188 HydrophobicContact CE2-CD1 4.3Å; Y166-L188 HydrophobicContact CG-CD1 4.47Å; D174-L188 PolarHBondContact OD2-N 3.47Å; L185-L188 HydrophobicContact CB-CB 3.9Å; L185-L188 HydrophobicContact CB-CD2 4.33Å; L185-L188 HydrophobicContact CD1-CD2 3.79Å; L188-R190 VanDerWaalsContact C-N 3.29Å; L188-R190 PolarHBondContact O-N 3Å; L188-T191 PolarHBondContact O-N 2.84Å; L188-L192 HydrophobicContact CD1-CD1 4.08Å; L188-L192 HydrophobicContact CD1-CG 4.14Å; L188-L192 HydrophobicContact CG-CD1 3.95Å; L188-L192 HydrophobicContact CG-CG 4.43Å; L188-L192 WeakPolarHBondContact O-CB 3.38Å; L188-L192 WeakPolarHBondContact O-CG 3.12Å; L188-L192 PolarHBondContact O-N 3.29Å
189	K	80.1	Confident	79.6	Confident	70 Å²	70	70.6 Å²	70.6	30%	0.304	40%	0.395	S	S	.	.	H	α-helix	trans	-54.3	-44.3	173.7	-81.2	-176.8	-177.2	-168	0	112	L185 H187 A193 E233	L185-K189 WeakPolarHBondContact O-CB 3.46Å; L185-K189 VanDerWaalsContact O-CG 3.3Å; L185-K189 WeakPolarHBondContact O-CG 3.36Å; L185-K189 PolarHBondContact O-N 3.41Å; L185-K189 VanDerWaalsContact O-N 3.12Å; H187-K189 PolarHBondContact O-N 2.87Å; K189-A193 WeakPolarHBondContact O-CB 3.29Å; K189-A193 PolarHBondContact O-N 2.85Å; K189-E233 HydrophobicContact CD-CG 4.27Å; K189-E233 IonicContact NZ-OE1 2.63Å; K189-E233 PolarHBondContact NZ-OE1 3.38Å
190	R	81.9	Confident	79.6	Confident	128 Å²	128	64.9 Å²	64.9	48%	0.483	37%	0.37	S	S	.	.	H	α-helix	trans	-66	-44.1	179	-171.8	-173.9	-62.5	149.2	3.5	112.1	N186 H187 L188 A193 T194	N186-R190 PolarHBondContact O-N 3.49Å; H187-R190 WeakPolarHBondContact O-CB 3.46Å; H187-R190 PolarHBondContact O-N 2.93Å; H187-R190 VanDerWaalsContact O-N 3.15Å; L188-R190 VanDerWaalsContact C-N 3.29Å; L188-R190 PolarHBondContact O-N 3Å; R190-A193 PolarHBondContact O-N 3.29Å; R190-T194 WeakPolarHBondContact O-CB 3.47Å; R190-T194 PolarHBondContact O-N 3.21Å; R190-T194 PolarHBondContact O-OG1 3.09Å
191	T	83.7	Confident	79.2	Confident	12 Å²	12	61.2 Å²	61.2	7%	0.074	36%	0.363	C	S	.	.	H	α-helix	trans	-60.4	-46.4	177.6	-51.7	0	0	0	0	110.7	L162 H187 L188 T194 A195	L162-T191 HydrophobicContact CB-CG2 4.05Å; L162-T191 VanDerWaalsContact O-CG2 3.31Å; L162-T191 WeakPolarHBondContact O-CG2 3.45Å; H187-T191 PolarHBondContact O-N 3.16Å; H187-T191 PolarHBondContact O-OG1 3.47Å; L188-T191 PolarHBondContact O-N 2.84Å; T191-T194 PolarHBondContact O-N 2.7Å; T191-A195 WeakPolarHBondContact O-CB 3.33Å; T191-A195 PolarHBondContact O-N 2.93Å
192	L	80.1	Confident	79.1	Confident	75 Å²	75	64.5 Å²	64.5	39%	0.393	36%	0.362	S	S	.	.	H	α-helix	trans	-65.7	-41.1	177.8	-68.7	172.4	0	0	0	112.6	L188 A195 C196 I236	L188-L192 HydrophobicContact CD1-CD1 4.08Å; L188-L192 HydrophobicContact CD1-CG 4.14Å; L188-L192 HydrophobicContact CG-CD1 3.95Å; L188-L192 HydrophobicContact CG-CG 4.43Å; L188-L192 WeakPolarHBondContact O-CB 3.38Å; L188-L192 WeakPolarHBondContact O-CG 3.12Å; L188-L192 PolarHBondContact O-N 3.29Å; L192-A195 PolarHBondContact O-N 3.34Å; L192-C196 WeakPolarHBondContact O-CB 3.31Å; L192-C196 PolarHBondContact O-N 2.78Å; L192-C196 PolarHBondContact O-SG 2.68Å; L192-I236 HydrophobicContact CB-CD1 4.02Å
193	A	79	Confident	79.3	Confident	10 Å²	10	64.3 Å²	64.3	8%	0.083	36%	0.355	C	S	.	.	H	α-helix	trans	-61.8	-43.2	174.8	0	0	0	0	0	111.8	K189 R190 C196 Q197 E235 I236	K189-A193 WeakPolarHBondContact O-CB 3.29Å; K189-A193 PolarHBondContact O-N 2.85Å; R190-A193 PolarHBondContact O-N 3.29Å; A193-C196 PolarHBondContact O-N 3.46Å; A193-Q197 PolarHBondContact O-N 3.06Å; A193-E235 HydrophobicContact CB-CB 4.43Å; A193-I236 HydrophobicContact CB-CG1 4.44Å
194	T	80.4	Confident	79.1	Confident	62 Å²	62	60.9 Å²	60.9	38%	0.38	33%	0.332	S	S	.	.	H	α-helix	trans	-63.1	-47.8	176.7	-52.2	0	0	0	0	111.2	L162 R190 T191 C196 Q197	L162-T194 HydrophobicContact CD1-CG2 4.09Å; L162-T194 HydrophobicContact CD2-CG2 4.19Å; R190-T194 WeakPolarHBondContact O-CB 3.47Å; R190-T194 PolarHBondContact O-N 3.21Å; R190-T194 PolarHBondContact O-OG1 3.09Å; T191-T194 PolarHBondContact O-N 2.7Å; T194-C196 PolarHBondContact O-N 3.22Å; T194-Q197 VanDerWaalsContact O-CB 3.24Å; T194-Q197 WeakPolarHBondContact O-CB 3.22Å; T194-Q197 PolarHBondContact O-N 3.36Å
195	A	80.7	Confident	79.3	Confident	34 Å²	34	64.8 Å²	64.8	28%	0.281	35%	0.35	S	S	.	.	H	α-helix	trans	-61.1	-27.3	176.8	0	0	0	0	0	113.2	V159 L162 T191 L192	V159-A195 HydrophobicContact CG1-CB 4.36Å; L162-A195 HydrophobicContact CD1-CB 3.95Å; T191-A195 WeakPolarHBondContact O-CB 3.33Å; T191-A195 PolarHBondContact O-N 2.93Å; L192-A195 PolarHBondContact O-N 3.34Å
196	C	77.1	Confident	79.1	Confident	41 Å²	41	64.4 Å²	64.4	28%	0.277	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-2.2	176.8	-64.1	0	0	0	0	114.4	L192 A193 T194 G198 L199 N200 L239	L192-C196 WeakPolarHBondContact O-CB 3.31Å; L192-C196 PolarHBondContact O-N 2.78Å; L192-C196 PolarHBondContact O-SG 2.68Å; A193-C196 PolarHBondContact O-N 3.46Å; T194-C196 PolarHBondContact O-N 3.22Å; C196-G198 PolarHBondContact O-N 2.69Å; C196-L199 PolarHBondContact O-N 2.7Å; C196-N200 WeakPolarHBondContact O-CB 3.37Å; C196-N200 PolarHBondContact O-N 3.48Å; C196-L239 HydrophobicContact CB-CD2 3.7Å
197	Q	76.1	Confident	78.9	Confident	121 Å²	121	61.9 Å²	61.9	57%	0.565	34%	0.337	S	S	*	.	H	α-helix	trans	-65.6	-35.7	-171.9	-172	176	-5.7	0	0	113.2	A193 T194 S201	A193-Q197 PolarHBondContact O-N 3.06Å; T194-Q197 VanDerWaalsContact O-CB 3.24Å; T194-Q197 WeakPolarHBondContact O-CB 3.22Å; T194-Q197 PolarHBondContact O-N 3.36Å; Q197-S201 PolarHBondContact O-N 3.42Å; Q197-S201 PolarHBondContact O-OG 3.06Å
198	G	73.3	Confident	78.6	Confident	48 Å²	48	63 Å²	63	50%	0.495	35%	0.35	S	S	.	.	H	α-helix	trans	-62.6	-54	173.9	0	0	0	0	0	111.8	C196 N200 S201 E202	C196-G198 PolarHBondContact O-N 2.69Å; G198-N200 VanDerWaalsContact C-N 3.29Å; G198-N200 PolarHBondContact O-N 3.12Å; G198-S201 WeakPolarHBondContact O-CA 3.43Å; G198-S201 WeakPolarHBondContact O-CB 3.16Å; G198-S201 PolarHBondContact O-N 2.96Å; G198-E202 PolarHBondContact O-N 2.91Å
199	L	75.2	Confident	78.2	Confident	84 Å²	84	64.2 Å²	64.2	44%	0.44	36%	0.362	S	S	.	.	H	α-helix	trans	-55.9	-41.5	176.9	177	61	0	0	0	112.4	C196 S201 E202 I203	C196-L199 PolarHBondContact O-N 2.7Å; L199-S201 VanDerWaalsContact C-N 3.27Å; L199-S201 PolarHBondContact O-N 3.34Å; L199-E202 PolarHBondContact O-N 3.08Å; L199-I203 HydrophobicContact CD1-CD1 3.79Å; L199-I203 HydrophobicContact CD1-CG1 4.21Å; L199-I203 HydrophobicContact CG-CD1 3.8Å; L199-I203 WeakPolarHBondContact O-CB 3.49Å; L199-I203 WeakPolarHBondContact O-CD1 3.43Å; L199-I203 VanDerWaalsContact O-CG1 3.26Å; L199-I203 WeakPolarHBondContact O-CG1 3.33Å; L199-I203 PolarHBondContact O-N 3.45Å
200	N	77.4	Confident	78.1	Confident	36 Å²	36	62 Å²	62	19%	0.193	35%	0.354	C	S	.	.	H	α-helix	trans	-60.5	-37	176.1	-168.1	24.1	0	0	0	112.2	C196 G198 D204 L239 K242	C196-N200 WeakPolarHBondContact O-CB 3.37Å; C196-N200 PolarHBondContact O-N 3.48Å; G198-N200 VanDerWaalsContact C-N 3.29Å; G198-N200 PolarHBondContact O-N 3.12Å; N200-D204 PolarHBondContact O-N 3.49Å; N200-L239 HydrophobicContact CB-CD1 3.98Å; N200-K242 WeakPolarHBondContact OD1-CD 3.46Å; N200-K242 PolarHBondContact OD1-NZ 2.85Å
201	S	75.1	Confident	77.8	Confident	69 Å²	69	57.9 Å²	57.9	48%	0.483	34%	0.34	S	S	.	.	H	α-helix	trans	-76	-39.5	179.1	-53.1	0	0	0	0	112.4	Q197 G198 L199 I203 D204 L205	Q197-S201 PolarHBondContact O-N 3.42Å; Q197-S201 PolarHBondContact O-OG 3.06Å; G198-S201 WeakPolarHBondContact O-CA 3.43Å; G198-S201 WeakPolarHBondContact O-CB 3.16Å; G198-S201 PolarHBondContact O-N 2.96Å; L199-S201 VanDerWaalsContact C-N 3.27Å; L199-S201 PolarHBondContact O-N 3.34Å; S201-I203 VanDerWaalsContact C-N 3.35Å; S201-D204 PolarHBondContact O-N 2.9Å; S201-L205 PolarHBondContact O-N 2.68Å; S201-L205 VanDerWaalsContact O-N 3.1Å
202	E	78.1	Confident	77.3	Confident	131 Å²	131	61.2 Å²	61.2	61%	0.612	36%	0.36	S	S	*	.	H	α-helix	trans	-64.6	-38.9	173.3	-69.7	-174.3	160	0	0	112	G198 L199 L205 T206	G198-E202 PolarHBondContact O-N 2.91Å; L199-E202 PolarHBondContact O-N 3.08Å; E202-L205 PolarHBondContact O-N 3.27Å; E202-T206 WeakPolarHBondContact O-CB 3.49Å; E202-T206 PolarHBondContact O-N 3.36Å; E202-T206 PolarHBondContact O-OG1 3.36Å
203	I	80.7	Confident	76.9	Confident	17 Å²	17	61.4 Å²	61.4	9%	0.087	36%	0.361	C	S	.	.	H	α-helix	trans	-64.2	-42.6	175.3	-73.1	162.9	0	0	0	111	L199 S201 T206 L207 L239 K242 I243	L199-I203 HydrophobicContact CD1-CD1 3.79Å; L199-I203 HydrophobicContact CD1-CG1 4.21Å; L199-I203 HydrophobicContact CG-CD1 3.8Å; L199-I203 WeakPolarHBondContact O-CB 3.49Å; L199-I203 WeakPolarHBondContact O-CD1 3.43Å; L199-I203 VanDerWaalsContact O-CG1 3.26Å; L199-I203 WeakPolarHBondContact O-CG1 3.33Å; L199-I203 PolarHBondContact O-N 3.45Å; S201-I203 VanDerWaalsContact C-N 3.35Å; I203-T206 PolarHBondContact O-N 3.26Å; I203-L207 VanDerWaalsContact O-CB 3.3Å; I203-L207 WeakPolarHBondContact O-CB 3.38Å; I203-L207 PolarHBondContact O-N 2.95Å; I203-L239 HydrophobicContact CD1-CD1 3.62Å; I203-K242 HydrophobicContact CG2-CB 3.82Å; I203-K242 HydrophobicContact CG2-CD 4.37Å; I203-I243 HydrophobicContact CD1-CD1 4.12Å; I203-I243 HydrophobicContact CD1-CG1 3.63Å
204	D	76.4	Confident	76.7	Confident	70 Å²	70	61 Å²	61	37%	0.374	36%	0.358	S	S	.	.	H	α-helix	trans	-62.8	-43.3	176.4	-76.9	-20	0	0	0	112.2	N200 S201 T206 L207 S208 K242	N200-D204 PolarHBondContact O-N 3.49Å; S201-D204 PolarHBondContact O-N 2.9Å; D204-T206 VanDerWaalsContact C-N 3.34Å; D204-T206 PolarHBondContact O-N 3.06Å; D204-L207 PolarHBondContact O-N 2.9Å; D204-S208 WeakPolarHBondContact O-CB 3.27Å; D204-S208 PolarHBondContact O-N 2.86Å; D204-K242 WeakPolarHBondContact OD1-CD 3.29Å; D204-K242 WeakPolarHBondContact OD1-CE 3.35Å; D204-K242 IonicContact OD1-NZ 2.71Å; D204-K242 PolarHBondContact OD1-NZ 3.34Å; D204-K242 IonicContact OD2-NZ 3.61Å; D204-K242 PolarHBondContact OD2-NZ 2.76Å
205	L	78.1	Confident	76.4	Confident	126 Å²	126	63.6 Å²	63.6	66%	0.66	36%	0.364	S	S	*	.	H	α-helix	trans	-62.3	-42	175.6	-169	75.6	0	0	0	111.6	S201 E202 S209	S201-L205 PolarHBondContact O-N 2.68Å; S201-L205 VanDerWaalsContact O-N 3.1Å; E202-L205 PolarHBondContact O-N 3.27Å; L205-S209 WeakPolarHBondContact O-CB 3.36Å; L205-S209 PolarHBondContact O-N 2.85Å; L205-S209 PolarHBondContact O-OG 2.64Å
206	T	77.1	Confident	76.1	Confident	65 Å²	65	67 Å²	67	40%	0.399	38%	0.381	S	S	.	.	H	α-helix	trans	-69.6	-42.8	179.7	-53.6	0	0	0	0	111.4	E202 I203 D204 S209 L210 L246	E202-T206 WeakPolarHBondContact O-CB 3.49Å; E202-T206 PolarHBondContact O-N 3.36Å; E202-T206 PolarHBondContact O-OG1 3.36Å; I203-T206 PolarHBondContact O-N 3.26Å; D204-T206 VanDerWaalsContact C-N 3.34Å; D204-T206 PolarHBondContact O-N 3.06Å; T206-S209 PolarHBondContact O-N 2.93Å; T206-L210 HydrophobicContact CG2-CD1 4Å; T206-L210 HydrophobicContact CG2-CG 4.46Å; T206-L210 WeakPolarHBondContact O-CB 3.44Å; T206-L210 VanDerWaalsContact O-CG 3.31Å; T206-L210 WeakPolarHBondContact O-CG 3.29Å; T206-L210 PolarHBondContact O-N 3.05Å; T206-L246 HydrophobicContact CG2-CD1 3.87Å
207	L	79.7	Confident	75.9	Confident	12 Å²	12	68.3 Å²	68.3	6%	0.063	38%	0.382	C	S	.	.	H	α-helix	trans	-61.6	-46.8	177	-162.1	90.1	0	0	0	110.6	I203 D204 S209 L210 E211 L224 L246 L249	I203-L207 VanDerWaalsContact O-CB 3.3Å; I203-L207 WeakPolarHBondContact O-CB 3.38Å; I203-L207 PolarHBondContact O-N 2.95Å; D204-L207 PolarHBondContact O-N 2.9Å; L207-S209 VanDerWaalsContact C-N 3.32Å; L207-S209 PolarHBondContact O-N 2.9Å; L207-L210 PolarHBondContact O-N 3.22Å; L207-E211 WeakPolarHBondContact O-CG 3.49Å; L207-E211 PolarHBondContact O-N 3.41Å; L207-L224 HydrophobicContact CD2-CB 4.23Å; L207-L246 HydrophobicContact CB-CD1 4.44Å; L207-L246 HydrophobicContact CD1-CB 3.91Å; L207-L246 HydrophobicContact CD1-CD1 4.15Å; L207-L246 HydrophobicContact CD1-CG 4.49Å; L207-L249 HydrophobicContact CD1-CD2 4.42Å
208	S	77.7	Confident	75.4	Confident	66 Å²	66	69.3 Å²	69.3	46%	0.462	39%	0.391	S	S	.	.	H	α-helix	trans	-61.5	-38.3	176.7	-172.5	0	0	0	0	112.9	D204 T212	D204-S208 WeakPolarHBondContact O-CB 3.27Å; D204-S208 PolarHBondContact O-N 2.86Å; S208-T212 WeakPolarHBondContact O-CB 3.34Å; S208-T212 PolarHBondContact O-N 3.26Å; S208-T212 PolarHBondContact O-OG1 2.85Å
209	S	74.4	Confident	74.9	Confident	72 Å²	72	68.6 Å²	68.6	50%	0.503	38%	0.375	S	S	.	.	H	α-helix	trans	-65.8	-42.4	174.6	-58.3	0	0	0	0	111.8	L205 T206 L207 T212 L213	L205-S209 WeakPolarHBondContact O-CB 3.36Å; L205-S209 PolarHBondContact O-N 2.85Å; L205-S209 PolarHBondContact O-OG 2.64Å; T206-S209 PolarHBondContact O-N 2.93Å; L207-S209 VanDerWaalsContact C-N 3.32Å; L207-S209 PolarHBondContact O-N 2.9Å; S209-T212 WeakPolarHBondContact O-CB 3.05Å; S209-T212 PolarHBondContact O-N 3.23Å; S209-L213 PolarHBondContact O-N 2.89Å
210	L	77	Confident	74	Confident	24 Å²	24	69.2 Å²	69.2	13%	0.126	38%	0.384	C	S	.	.	H	α-helix	trans	-70.9	-37	177.2	-71.2	169.7	0	0	0	112.8	T206 L207 T212 L213 A214 L246 L249 L250	T206-L210 HydrophobicContact CG2-CD1 4Å; T206-L210 HydrophobicContact CG2-CG 4.46Å; T206-L210 WeakPolarHBondContact O-CB 3.44Å; T206-L210 VanDerWaalsContact O-CG 3.31Å; T206-L210 WeakPolarHBondContact O-CG 3.29Å; T206-L210 PolarHBondContact O-N 3.05Å; L207-L210 PolarHBondContact O-N 3.22Å; L210-T212 VanDerWaalsContact C-N 3.25Å; L210-T212 PolarHBondContact O-N 3.32Å; L210-L213 HydrophobicContact CD2-CD2 4.42Å; L210-L213 PolarHBondContact O-N 3.02Å; L210-A214 VanDerWaalsContact O-CB 3.29Å; L210-A214 WeakPolarHBondContact O-CB 3.39Å; L210-A214 PolarHBondContact O-N 2.8Å; L210-L246 HydrophobicContact CD1-CD1 3.96Å; L210-L246 HydrophobicContact CD1-CG 4.24Å; L210-L249 HydrophobicContact CB-CD2 3.73Å; L210-L249 HydrophobicContact CB-CG 4.46Å; L210-L250 HydrophobicContact CD1-CD1 4.34Å; L210-L250 HydrophobicContact CD1-CD2 3.71Å; L210-L250 HydrophobicContact CD1-CG 3.87Å; L210-L250 HydrophobicContact CD2-CD2 3.71Å; L210-L250 HydrophobicContact CG-CD2 4.38Å
211	E	76.3	Confident	72.7	Confident	40 Å²	40	70.5 Å²	70.5	19%	0.187	40%	0.396	C	S	.	.	H	α-helix	trans	-62.8	-34.2	171.1	-76.8	-174.2	173.4	0	0	111.8	L207 A214 K215 L249	L207-E211 WeakPolarHBondContact O-CG 3.49Å; L207-E211 PolarHBondContact O-N 3.41Å; E211-A214 PolarHBondContact O-N 3.48Å; E211-K215 WeakPolarHBondContact O-CG 3.33Å; E211-K215 PolarHBondContact O-N 2.83Å; E211-L249 HydrophobicContact CG-CD2 4.14Å
212	T	74.3	Confident	71.4	Confident	82 Å²	82	72 Å²	72	50%	0.503	41%	0.405	S	S	.	.	H	α-helix	trans	-69.9	-41.9	174.6	-57.7	0	0	0	0	111	S208 S209 L210 K215	S208-T212 WeakPolarHBondContact O-CB 3.34Å; S208-T212 PolarHBondContact O-N 3.26Å; S208-T212 PolarHBondContact O-OG1 2.85Å; S209-T212 WeakPolarHBondContact O-CB 3.05Å; S209-T212 PolarHBondContact O-N 3.23Å; L210-T212 VanDerWaalsContact C-N 3.25Å; L210-T212 PolarHBondContact O-N 3.32Å; T212-K215 PolarHBondContact O-N 3.1Å
213	L	70.8	Confident	70.1	Confident	79 Å²	79	70.4 Å²	70.4	41%	0.414	41%	0.409	S	S	.	.	H	α-helix	trans	-63.4	-38.9	171.8	-171.9	70.2	0	0	0	112.2	S209 L210 K215 V216 F217 L253	S209-L213 PolarHBondContact O-N 2.89Å; L210-L213 HydrophobicContact CD2-CD2 4.42Å; L210-L213 PolarHBondContact O-N 3.02Å; L213-K215 VanDerWaalsContact C-N 3.27Å; L213-K215 PolarHBondContact O-N 2.86Å; L213-V216 VanDerWaalsContact O-CB 3.32Å; L213-V216 WeakPolarHBondContact O-CB 3.41Å; L213-V216 PolarHBondContact O-N 3.43Å; L213-F217 HydrophobicContact CD1-CE2 4.33Å; L213-F217 HydrophobicContact CG-CE2 4.42Å; L213-F217 WeakPolarHBondContact O-CD2 3.44Å; L213-L253 HydrophobicContact CB-CD1 4.25Å; L213-L253 HydrophobicContact CD2-CD1 4.02Å; L213-L253 HydrophobicContact CD2-CD2 3.91Å; L213-L253 HydrophobicContact CG-CD1 4.17Å; L213-L253 HydrophobicContact CG-CD2 4.36Å
214	A	73.9	Confident	68.7	Low	1 Å²	1	73.2 Å²	73.2	1%	0.008	42%	0.424	C	S	.	.	H	α-helix	trans	-62.7	-32.5	-178	0	0	0	0	0	112.8	L210 E211 V216 F217 H219 L249 L253	L210-A214 VanDerWaalsContact O-CB 3.29Å; L210-A214 WeakPolarHBondContact O-CB 3.39Å; L210-A214 PolarHBondContact O-N 2.8Å; E211-A214 PolarHBondContact O-N 3.48Å; A214-V216 PolarHBondContact O-N 2.94Å; A214-F217 PolarHBondContact O-N 2.84Å; A214-H219 HydrophobicContact CB-CB 3.8Å; A214-H219 VanDerWaalsContact O-CB 3.23Å; A214-H219 WeakPolarHBondContact O-CB 3.25Å; A214-H219 PolarHBondContact O-N 2.7Å; A214-H219 VanDerWaalsContact O-N 3.08Å; A214-L249 HydrophobicContact CB-CD1 4.29Å; A214-L253 HydrophobicContact CB-CD1 3.86Å
215	K	74.7	Confident	67.4	Low	117 Å²	117	75.6 Å²	75.6	51%	0.509	44%	0.441	S	S	.	.	G	3₁₀ helix	trans	-65.9	-22.2	175	-69.1	162.5	-168.8	165.7	0	113.2	E211 T212 L213 F217	E211-K215 WeakPolarHBondContact O-CG 3.33Å; E211-K215 PolarHBondContact O-N 2.83Å; T212-K215 PolarHBondContact O-N 3.1Å; L213-K215 VanDerWaalsContact C-N 3.27Å; L213-K215 PolarHBondContact O-N 2.86Å; K215-F217 PolarHBondContact O-N 2.94Å
216	V	74.3	Confident	65.9	Low	107 Å²	107	73 Å²	73	65%	0.648	43%	0.431	S	S	*	.	G	3₁₀ helix	trans	-72.5	-19.6	176.2	-173.4	0	0	0	0	111.9	L213 A214	L213-V216 VanDerWaalsContact O-CB 3.32Å; L213-V216 WeakPolarHBondContact O-CB 3.41Å; L213-V216 PolarHBondContact O-N 3.43Å; A214-V216 PolarHBondContact O-N 2.94Å
217	F	72.9	Confident	64.4	Low	67 Å²	67	75.3 Å²	75.3	29%	0.294	45%	0.45	S	S	.	.	G	3₁₀ helix	trans	-116.8	27.9	-177.6	-58.1	-78.4	0	0	0	112.6	L213 A214 K215 H219 K256 V257 A260	L213-F217 HydrophobicContact CD1-CE2 4.33Å; L213-F217 HydrophobicContact CG-CE2 4.42Å; L213-F217 WeakPolarHBondContact O-CD2 3.44Å; A214-F217 PolarHBondContact O-N 2.84Å; K215-F217 PolarHBondContact O-N 2.94Å; F217-H219 PolarHBondContact O-N 3.21Å; F217-K256 VanDerWaalsContact O-CD 3.27Å; F217-K256 WeakPolarHBondContact O-CD 3.29Å; F217-K256 PolarHBondContact O-NZ 3.28Å; F217-V257 HydrophobicContact CD1-CG2 4.05Å; F217-V257 HydrophobicContact CD2-CG2 3.87Å; F217-V257 HydrophobicContact CE1-CG2 3.91Å; F217-V257 HydrophobicContact CE2-CG2 3.72Å; F217-V257 HydrophobicContact CG-CG2 4.04Å; F217-V257 HydrophobicContact CZ-CG2 3.74Å; F217-A260 HydrophobicContact CD1-CB 4.47Å
218	D	66.5	Low	62.9	Low	142 Å²	142	84.3 Å²	84.3	76%	0.759	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.2	38.5	-176.8	-69.7	-44.2	0	0	0	113.1	K256	D218-K256 VanDerWaalsContact C-NZ 3.29Å; D218-K256 PolarHBondContact O-NZ 3.05Å
219	H	61.5	Low	61.3	Low	33 Å²	33	83.7 Å²	83.7	15%	0.153	49%	0.487	C	S	.	.			trans	-71.4	129	176.4	-161	-67.4	0	0	0	109	A214 F217 S221 S252 K256	A214-H219 HydrophobicContact CB-CB 3.8Å; A214-H219 VanDerWaalsContact O-CB 3.23Å; A214-H219 WeakPolarHBondContact O-CB 3.25Å; A214-H219 PolarHBondContact O-N 2.7Å; A214-H219 VanDerWaalsContact O-N 3.08Å; F217-H219 PolarHBondContact O-N 3.21Å; H219-S221 PolarHBondContact O-N 2.61Å; H219-S252 WeakPolarHBondContact NE2-CB 3.3Å; H219-S252 PolarHBondContact NE2-OG 2.79Å; H219-K256 HydrophobicContact CB-CD 4.32Å
220	P	56.7	Low	60	Low	98 Å²	98	89.8 Å²	89.8	64%	0.636	51%	0.508	S	S	*	.			trans	-62.4	106.3	168.1	26.5	-32.8	0	0	0	107.9	C222	P220-C222 PolarHBondContact O-N 2.74Å
221	S	50.4	Low	58.8	Low	63 Å²	63	90 Å²	90	44%	0.441	52%	0.516	S	S	.	.			trans	-76.8	102.3	-179.7	55.4	0	0	0	0	109.2	H219 S223	H219-S221 PolarHBondContact O-N 2.61Å; S221-S223 PolarHBondContact O-N 2.86Å; S221-S223 VanDerWaalsContact O-N 3.12Å
222	C	47.7	Very low	57.6	Low	99 Å²	99	91 Å²	91	67%	0.669	53%	0.526	S	S	*	.			trans	-57.7	115.3	160.3	-77.3	0	0	0	0	107.7	P220 L224	P220-C222 PolarHBondContact O-N 2.74Å; C222-L224 VanDerWaalsContact C-N 3.31Å; C222-L224 HydrophobicContact CB-CD1 4.43Å; C222-L224 HydrophobicContact CB-CG 4.29Å; C222-L224 PolarHBondContact O-N 2.84Å
223	S	50	Low	56.4	Low	98 Å²	98	92.1 Å²	92.1	69%	0.685	53%	0.526	S	S	*	.			trans	-69.5	88.6	177.6	55.5	0	0	0	0	109.5	S221 T225	S221-S223 PolarHBondContact O-N 2.86Å; S221-S223 VanDerWaalsContact O-N 3.12Å; S223-T225 PolarHBondContact O-N 2.91Å
224	L	53.1	Low	55.7	Low	77 Å²	77	94.7 Å²	94.7	40%	0.403	53%	0.534	S	S	.	.			trans	-81.2	46.2	-174.2	-78.5	154.2	0	0	0	111.7	L207 C222 P226 A245	L207-L224 HydrophobicContact CD2-CB 4.23Å; C222-L224 VanDerWaalsContact C-N 3.31Å; C222-L224 HydrophobicContact CB-CD1 4.43Å; C222-L224 HydrophobicContact CB-CG 4.29Å; C222-L224 PolarHBondContact O-N 2.84Å; L224-P226 WeakPolarHBondContact O-CD 3.15Å; L224-A245 HydrophobicContact CD1-CB 4.01Å; L224-A245 HydrophobicContact CD2-CB 4.01Å
225	T	48.8	Very low	55.2	Low	119 Å²	119	99 Å²	99	73%	0.73	55%	0.553	S	S	*	*			trans	-78.4	108.7	171.3	52.8	0	0	0	0	109.6	S223 S227	S223-T225 PolarHBondContact O-N 2.91Å; T225-S227 PolarHBondContact O-N 2.87Å
226	P	46.2	Very low	55	Low	71 Å²	71	96 Å²	96	46%	0.461	54%	0.542	S	S	.	.			trans	-69.2	135.5	172.1	-10.8	29.5	0	0	0	108.3	L224 K228	L224-P226 WeakPolarHBondContact O-CD 3.15Å; P226-K228 PolarHBondContact O-N 3.12Å
227	S	45.8	Very low	54.9	Low	114 Å²	114	95.6 Å²	95.6	80%	0.797	54%	0.537	S	S	*	.			trans	-58	141	171.4	-175	0	0	0	0	109.9	T225 A229	T225-S227 PolarHBondContact O-N 2.87Å; S227-A229 VanDerWaalsContact C-N 3.32Å; S227-A229 PolarHBondContact O-N 2.89Å
228	K	46.9	Very low	55	Low	202 Å²	202	94.1 Å²	94.1	88%	0.878	53%	0.534	S	S	*	.			trans	-63.8	87.4	-177.8	-76.9	-173.9	174	-178.2	0	111.3	P226 Q230	P226-K228 PolarHBondContact O-N 3.12Å; K228-Q230 PolarHBondContact O-N 2.88Å
229	A	44.4	Very low	55.4	Low	52 Å²	52	88 Å²	88	43%	0.43	50%	0.502	S	S	.	.			trans	-76	98.9	175.2	0	0	0	0	0	110.2	S227 G231 K234	S227-A229 VanDerWaalsContact C-N 3.32Å; S227-A229 PolarHBondContact O-N 2.89Å; A229-G231 PolarHBondContact O-N 3.38Å; A229-K234 HydrophobicContact CB-CB 4.12Å; A229-K234 HydrophobicContact CB-CD 4.16Å
230	Q	48.3	Very low	56	Low	200 Å²	200	91.4 Å²	91.4	94%	0.935	52%	0.521	S	S	*	.			trans	-74	105	171.3	-71.1	-176.6	-54.3	0	0	110.2	K228	K228-Q230 PolarHBondContact O-N 2.88Å
231	G	51.9	Low	56.9	Low	29 Å²	29	91 Å²	91	30%	0.299	52%	0.519	S	S	.	.	S	Bend	trans	155.6	130	169.1	0	0	0	0	0	112.7	A229 E233 K234	A229-G231 PolarHBondContact O-N 3.38Å; G231-E233 PolarHBondContact O-N 3.3Å; G231-K234 PolarHBondContact O-N 3.37Å
232	P	49.7	Very low	58.2	Low	62 Å²	62	89 Å²	89	40%	0.403	50%	0.502	S	S	.	.	G	3₁₀ helix	trans	-64.3	-17.9	-173.6	26.3	-35.6	0	0	0	113.8	K234	P232-K234 PolarHBondContact O-N 2.88Å
233	E	49.3	Very low	59.7	Low	104 Å²	104	87.1 Å²	87.1	49%	0.486	49%	0.485	S	S	.	.	G	3₁₀ helix	trans	-68.6	-15.7	174.1	-63.3	-153.1	102.5	0	0	114.3	K189 G231	K189-E233 HydrophobicContact CD-CG 4.27Å; K189-E233 IonicContact NZ-OE1 2.63Å; K189-E233 PolarHBondContact NZ-OE1 3.38Å; G231-E233 PolarHBondContact O-N 3.3Å
234	K	56.7	Low	61	Low	134 Å²	134	86 Å²	86	58%	0.583	48%	0.477	S	S	*	.	G	3₁₀ helix	trans	-108.5	-2.9	-176.8	-67.4	-173.5	175.2	-177.7	0	114.4	A229 G231 P232 S238	A229-K234 HydrophobicContact CB-CB 4.12Å; A229-K234 HydrophobicContact CB-CD 4.16Å; G231-K234 PolarHBondContact O-N 3.37Å; P232-K234 PolarHBondContact O-N 2.88Å; K234-S238 VanDerWaalsContact O-CB 3.25Å; K234-S238 WeakPolarHBondContact O-CB 3.27Å; K234-S238 PolarHBondContact O-N 2.89Å; K234-S238 VanDerWaalsContact O-N 3.07Å
235	E	64	Low	62.2	Low	90 Å²	90	83.1 Å²	83.1	42%	0.421	46%	0.464	S	S	.	.	H	α-helix	trans	-75.5	-37.1	-174.6	-66.7	178.5	146.8	0	0	112.1	A193 S238 L239	A193-E235 HydrophobicContact CB-CB 4.43Å; E235-S238 WeakPolarHBondContact O-CB 3.38Å; E235-S238 PolarHBondContact O-N 3.4Å; E235-L239 WeakPolarHBondContact O-CB 3.08Å; E235-L239 PolarHBondContact O-N 3.37Å
236	I	70.9	Confident	63.6	Low	54 Å²	54	78.8 Å²	78.8	28%	0.277	44%	0.437	S	S	.	.	H	α-helix	trans	-70.3	-42.8	177	-60.7	175.3	0	0	0	111.1	L192 A193 S238 L239 L240	L192-I236 HydrophobicContact CB-CD1 4.02Å; A193-I236 HydrophobicContact CB-CG1 4.44Å; I236-S238 VanDerWaalsContact C-N 3.32Å; I236-S238 PolarHBondContact O-N 2.86Å; I236-L239 WeakPolarHBondContact O-CB 3.35Å; I236-L239 PolarHBondContact O-N 2.82Å; I236-L240 HydrophobicContact CG2-CD1 4.5Å; I236-L240 WeakPolarHBondContact O-CG 3.42Å; I236-L240 PolarHBondContact O-N 2.89Å
237	D	70.9	Confident	65.2	Low	100 Å²	100	80.3 Å²	80.3	54%	0.535	44%	0.44	S	S	.	.	H	α-helix	trans	-63.9	-38.3	175.2	-67	-25.6	0	0	0	111.8	L240 C241	D237-L240 PolarHBondContact O-N 2.7Å; D237-C241 PolarHBondContact O-N 3.5Å; D237-C241 PolarHBondContact O-SG 3.18Å
238	S	76	Confident	66.7	Low	35 Å²	35	78.3 Å²	78.3	25%	0.245	43%	0.426	C	S	.	.	H	α-helix	trans	-61.2	-45.2	173.2	-175	0	0	0	0	111.5	K234 E235 I236 L240 C241 K242	K234-S238 VanDerWaalsContact O-CB 3.25Å; K234-S238 WeakPolarHBondContact O-CB 3.27Å; K234-S238 PolarHBondContact O-N 2.89Å; K234-S238 VanDerWaalsContact O-N 3.07Å; E235-S238 WeakPolarHBondContact O-CB 3.38Å; E235-S238 PolarHBondContact O-N 3.4Å; I236-S238 VanDerWaalsContact C-N 3.32Å; I236-S238 PolarHBondContact O-N 2.86Å; S238-L240 PolarHBondContact O-N 2.75Å; S238-C241 WeakPolarHBondContact O-CB 3.35Å; S238-C241 PolarHBondContact O-N 3.19Å; S238-K242 WeakPolarHBondContact O-CG 3.42Å; S238-K242 PolarHBondContact O-N 3.36Å
239	L	73.9	Confident	68.3	Low	13 Å²	13	69.6 Å²	69.6	7%	0.068	39%	0.389	C	S	.	.	H	α-helix	trans	-60	-45.7	176.2	-179.6	60.9	0	0	0	112.1	C196 N200 I203 E235 I236 C241 K242 I243	C196-L239 HydrophobicContact CB-CD2 3.7Å; N200-L239 HydrophobicContact CB-CD1 3.98Å; I203-L239 HydrophobicContact CD1-CD1 3.62Å; E235-L239 WeakPolarHBondContact O-CB 3.08Å; E235-L239 PolarHBondContact O-N 3.37Å; I236-L239 WeakPolarHBondContact O-CB 3.35Å; I236-L239 PolarHBondContact O-N 2.82Å; L239-C241 VanDerWaalsContact C-N 3.33Å; L239-C241 PolarHBondContact O-N 2.89Å; L239-K242 PolarHBondContact O-N 3.41Å; L239-I243 HydrophobicContact CD1-CD1 4.39Å; L239-I243 HydrophobicContact CG-CD1 4.24Å; L239-I243 WeakPolarHBondContact O-CG1 3.31Å; L239-I243 PolarHBondContact O-N 2.73Å
240	L	75.1	Confident	70	Confident	106 Å²	106	70.8 Å²	70.8	56%	0.555	39%	0.388	S	S	*	.	H	α-helix	trans	-61.8	-39.8	176.1	-68.7	172.1	0	0	0	112.1	I236 D237 S238 I243 S244	I236-L240 HydrophobicContact CG2-CD1 4.5Å; I236-L240 WeakPolarHBondContact O-CG 3.42Å; I236-L240 PolarHBondContact O-N 2.89Å; D237-L240 PolarHBondContact O-N 2.7Å; S238-L240 PolarHBondContact O-N 2.75Å; L240-I243 PolarHBondContact O-N 3.2Å; L240-S244 PolarHBondContact O-N 2.98Å; L240-S244 VanDerWaalsContact O-N 3.11Å
241	C	75.8	Confident	71.4	Confident	89 Å²	89	63.2 Å²	63.2	60%	0.601	36%	0.357	S	S	*	.	H	α-helix	trans	-63.1	-42.9	173.6	-68.3	0	0	0	0	112.3	D237 S238 L239 S244 A245	D237-C241 PolarHBondContact O-N 3.5Å; D237-C241 PolarHBondContact O-SG 3.18Å; S238-C241 WeakPolarHBondContact O-CB 3.35Å; S238-C241 PolarHBondContact O-N 3.19Å; L239-C241 VanDerWaalsContact C-N 3.33Å; L239-C241 PolarHBondContact O-N 2.89Å; C241-S244 PolarHBondContact O-N 3.28Å; C241-A245 WeakPolarHBondContact O-CB 3.19Å; C241-A245 PolarHBondContact O-N 3.29Å
242	K	77.4	Confident	72.8	Confident	21 Å²	21	64 Å²	64	9%	0.091	36%	0.358	C	S	.	.	H	α-helix	trans	-62.4	-42.6	176.4	-70.2	177	-178.2	-171.2	0	112.6	N200 I203 D204 S238 L239 A245 L246	N200-K242 WeakPolarHBondContact OD1-CD 3.46Å; N200-K242 PolarHBondContact OD1-NZ 2.85Å; I203-K242 HydrophobicContact CG2-CB 3.82Å; I203-K242 HydrophobicContact CG2-CD 4.37Å; D204-K242 WeakPolarHBondContact OD1-CD 3.29Å; D204-K242 WeakPolarHBondContact OD1-CE 3.35Å; D204-K242 IonicContact OD1-NZ 2.71Å; D204-K242 PolarHBondContact OD1-NZ 3.34Å; D204-K242 IonicContact OD2-NZ 3.61Å; D204-K242 PolarHBondContact OD2-NZ 2.76Å; S238-K242 WeakPolarHBondContact O-CG 3.42Å; S238-K242 PolarHBondContact O-N 3.36Å; L239-K242 PolarHBondContact O-N 3.41Å; K242-A245 PolarHBondContact O-N 3.32Å; K242-L246 WeakPolarHBondContact O-CB 3.38Å; K242-L246 PolarHBondContact O-N 3.45Å
243	I	79.5	Confident	74.3	Confident	59 Å²	59	61.8 Å²	61.8	30%	0.303	34%	0.343	S	S	.	.	H	α-helix	trans	-61.8	-45.8	177.3	-66.5	171.2	0	0	0	110.5	I203 L239 L240 A245 L246 I247	I203-I243 HydrophobicContact CD1-CD1 4.12Å; I203-I243 HydrophobicContact CD1-CG1 3.63Å; L239-I243 HydrophobicContact CD1-CD1 4.39Å; L239-I243 HydrophobicContact CG-CD1 4.24Å; L239-I243 WeakPolarHBondContact O-CG1 3.31Å; L239-I243 PolarHBondContact O-N 2.73Å; L240-I243 PolarHBondContact O-N 3.2Å; I243-A245 VanDerWaalsContact C-N 3.32Å; I243-A245 PolarHBondContact O-N 2.96Å; I243-L246 PolarHBondContact O-N 3.05Å; I243-I247 HydrophobicContact CG2-CD1 3.9Å; I243-I247 WeakPolarHBondContact O-CG1 3.27Å; I243-I247 PolarHBondContact O-N 3.41Å
244	S	77.1	Confident	75.7	Confident	74 Å²	74	63.3 Å²	63.3	52%	0.517	35%	0.35	S	S	.	.	H	α-helix	trans	-60.2	-41.3	175.8	-171.8	0	0	0	0	112.4	L240 C241 S248	L240-S244 PolarHBondContact O-N 2.98Å; L240-S244 VanDerWaalsContact O-N 3.11Å; C241-S244 PolarHBondContact O-N 3.28Å; S244-S248 WeakPolarHBondContact O-CB 3.47Å; S244-S248 PolarHBondContact O-N 3.04Å; S244-S248 PolarHBondContact O-OG 3.08Å
245	A	77.8	Confident	77	Confident	17 Å²	17	63.2 Å²	63.2	14%	0.14	35%	0.349	C	S	.	.	H	α-helix	trans	-65.9	-42	176.4	0	0	0	0	0	112.8	L224 C241 K242 I243 S248 L249	L224-A245 HydrophobicContact CD1-CB 4.01Å; L224-A245 HydrophobicContact CD2-CB 4.01Å; C241-A245 WeakPolarHBondContact O-CB 3.19Å; C241-A245 PolarHBondContact O-N 3.29Å; K242-A245 PolarHBondContact O-N 3.32Å; I243-A245 VanDerWaalsContact C-N 3.32Å; I243-A245 PolarHBondContact O-N 2.96Å; A245-S248 PolarHBondContact O-N 3.28Å; A245-L249 WeakPolarHBondContact O-CB 3.16Å; A245-L249 PolarHBondContact O-N 3.09Å
246	L	78.4	Confident	77.6	Confident	29 Å²	29	62.2 Å²	62.2	15%	0.152	34%	0.344	C	S	.	.	H	α-helix	trans	-62.6	-45.4	177	-176.8	120.4	0	0	0	112	T206 L207 L210 K242 I243 S248 L249 L250	T206-L246 HydrophobicContact CG2-CD1 3.87Å; L207-L246 HydrophobicContact CB-CD1 4.44Å; L207-L246 HydrophobicContact CD1-CB 3.91Å; L207-L246 HydrophobicContact CD1-CD1 4.15Å; L207-L246 HydrophobicContact CD1-CG 4.49Å; L210-L246 HydrophobicContact CD1-CD1 3.96Å; L210-L246 HydrophobicContact CD1-CG 4.24Å; K242-L246 WeakPolarHBondContact O-CB 3.38Å; K242-L246 PolarHBondContact O-N 3.45Å; I243-L246 PolarHBondContact O-N 3.05Å; L246-S248 VanDerWaalsContact C-N 3.31Å; L246-S248 PolarHBondContact O-N 3.44Å; L246-L249 PolarHBondContact O-N 3.09Å; L246-L250 HydrophobicContact CD2-CD1 3.86Å; L246-L250 HydrophobicContact CG-CD1 4.18Å; L246-L250 WeakPolarHBondContact O-CB 3.47Å; L246-L250 WeakPolarHBondContact O-CG 3.35Å; L246-L250 PolarHBondContact O-N 3.45Å
247	I	78.6	Confident	78.1	Confident	102 Å²	102	61.6 Å²	61.6	52%	0.523	34%	0.342	S	S	.	.	H	α-helix	trans	-60.4	-42.8	175.3	-67.2	165.1	0	0	0	110.8	I243 L250 S251	I243-I247 HydrophobicContact CG2-CD1 3.9Å; I243-I247 WeakPolarHBondContact O-CG1 3.27Å; I243-I247 PolarHBondContact O-N 3.41Å; I247-L250 PolarHBondContact O-N 3.4Å; I247-S251 PolarHBondContact O-N 2.72Å; I247-S251 VanDerWaalsContact O-N 3.1Å
248	S	78.9	Confident	78.5	Confident	73 Å²	73	61.3 Å²	61.3	51%	0.51	34%	0.34	S	S	.	.	H	α-helix	trans	-64.6	-44	178.7	-58.8	0	0	0	0	112.2	S244 A245 L246 S252	S244-S248 WeakPolarHBondContact O-CB 3.47Å; S244-S248 PolarHBondContact O-N 3.04Å; S244-S248 PolarHBondContact O-OG 3.08Å; A245-S248 PolarHBondContact O-N 3.28Å; L246-S248 VanDerWaalsContact C-N 3.31Å; L246-S248 PolarHBondContact O-N 3.44Å; S248-S252 WeakPolarHBondContact O-CB 3.43Å; S248-S252 PolarHBondContact O-N 3.06Å; S248-S252 VanDerWaalsContact O-N 3.15Å
249	L	80.5	Confident	78.8	Confident	18 Å²	18	64.3 Å²	64.3	9%	0.094	35%	0.35	C	S	.	.	H	α-helix	trans	-63	-46.4	176.8	-179.3	60	0	0	0	111.3	L207 L210 E211 A214 A245 L246 S252 L253	L207-L249 HydrophobicContact CD1-CD2 4.42Å; L210-L249 HydrophobicContact CB-CD2 3.73Å; L210-L249 HydrophobicContact CB-CG 4.46Å; E211-L249 HydrophobicContact CG-CD2 4.14Å; A214-L249 HydrophobicContact CB-CD1 4.29Å; A245-L249 WeakPolarHBondContact O-CB 3.16Å; A245-L249 PolarHBondContact O-N 3.09Å; L246-L249 PolarHBondContact O-N 3.09Å; L249-S252 PolarHBondContact O-N 2.84Å; L249-L253 VanDerWaalsContact O-CB 3.29Å; L249-L253 WeakPolarHBondContact O-CB 3.43Å; L249-L253 PolarHBondContact O-N 2.84Å
250	L	78.5	Confident	78.8	Confident	78 Å²	78	65.6 Å²	65.6	41%	0.408	36%	0.363	S	S	.	.	H	α-helix	trans	-58.4	-50.4	178.1	-77.7	166.4	0	0	0	112.3	L210 L246 I247 S252 L253 E254	L210-L250 HydrophobicContact CD1-CD1 4.34Å; L210-L250 HydrophobicContact CD1-CD2 3.71Å; L210-L250 HydrophobicContact CD1-CG 3.87Å; L210-L250 HydrophobicContact CD2-CD2 3.71Å; L210-L250 HydrophobicContact CG-CD2 4.38Å; L246-L250 HydrophobicContact CD2-CD1 3.86Å; L246-L250 HydrophobicContact CG-CD1 4.18Å; L246-L250 WeakPolarHBondContact O-CB 3.47Å; L246-L250 WeakPolarHBondContact O-CG 3.35Å; L246-L250 PolarHBondContact O-N 3.45Å; I247-L250 PolarHBondContact O-N 3.4Å; L250-S252 VanDerWaalsContact C-N 3.28Å; L250-S252 PolarHBondContact O-N 2.83Å; L250-L253 PolarHBondContact O-N 2.9Å; L250-E254 WeakPolarHBondContact O-CB 3.39Å; L250-E254 PolarHBondContact O-N 2.93Å
251	S	78.8	Confident	78.6	Confident	41 Å²	41	65.7 Å²	65.7	29%	0.287	36%	0.363	S	S	.	.	H	α-helix	trans	-66.7	-28.4	-179.6	-171.5	0	0	0	0	113.1	I247 K255	I247-S251 PolarHBondContact O-N 2.72Å; I247-S251 VanDerWaalsContact O-N 3.1Å; S251-K255 VanDerWaalsContact O-CD 3.3Å; S251-K255 WeakPolarHBondContact O-CD 3.31Å; S251-K255 VanDerWaalsContact O-CG 3.29Å; S251-K255 WeakPolarHBondContact O-CG 3.47Å; S251-K255 PolarHBondContact O-N 2.87Å; S251-K255 PolarHBondContact OG-NZ 2.74Å
252	S	80.7	Confident	78.6	Confident	46 Å²	46	66 Å²	66	32%	0.322	36%	0.356	S	S	.	.	H	α-helix	trans	-76.1	-40.5	174.9	-163	0	0	0	0	112	H219 S248 L249 L250 K255 K256	H219-S252 WeakPolarHBondContact NE2-CB 3.3Å; H219-S252 PolarHBondContact NE2-OG 2.79Å; S248-S252 WeakPolarHBondContact O-CB 3.43Å; S248-S252 PolarHBondContact O-N 3.06Å; S248-S252 VanDerWaalsContact O-N 3.15Å; L249-S252 PolarHBondContact O-N 2.84Å; L250-S252 VanDerWaalsContact C-N 3.28Å; L250-S252 PolarHBondContact O-N 2.83Å; S252-K255 PolarHBondContact O-N 3.1Å; S252-K256 PolarHBondContact O-N 2.68Å
253	L	81	Confident	78.3	Confident	15 Å²	15	68.4 Å²	68.4	8%	0.079	37%	0.37	C	S	.	.	H	α-helix	trans	-67.2	-42.5	177.9	-160.6	158.6	0	0	0	111.1	L213 A214 L249 L250 K255 K256 V257	L213-L253 HydrophobicContact CB-CD1 4.25Å; L213-L253 HydrophobicContact CD2-CD1 4.02Å; L213-L253 HydrophobicContact CD2-CD2 3.91Å; L213-L253 HydrophobicContact CG-CD1 4.17Å; L213-L253 HydrophobicContact CG-CD2 4.36Å; A214-L253 HydrophobicContact CB-CD1 3.86Å; L249-L253 VanDerWaalsContact O-CB 3.29Å; L249-L253 WeakPolarHBondContact O-CB 3.43Å; L249-L253 PolarHBondContact O-N 2.84Å; L250-L253 PolarHBondContact O-N 2.9Å; L253-K255 PolarHBondContact O-N 3.18Å; L253-K256 PolarHBondContact O-N 2.68Å; L253-V257 HydrophobicContact CD2-CG2 3.74Å; L253-V257 WeakPolarHBondContact O-CG2 3.32Å; L253-V257 PolarHBondContact O-N 3.05Å
254	E	80.1	Confident	77.6	Confident	135 Å²	135	67.2 Å²	67.2	63%	0.631	37%	0.369	S	S	*	.	H	α-helix	trans	-54	-49.8	171.9	-179.6	-177	-152.7	0	0	111.7	L250 K256 V257 L258	L250-E254 WeakPolarHBondContact O-CB 3.39Å; L250-E254 PolarHBondContact O-N 2.93Å; E254-K256 PolarHBondContact O-N 2.9Å; E254-V257 PolarHBondContact O-N 3.35Å; E254-L258 WeakPolarHBondContact O-CB 3.43Å; E254-L258 PolarHBondContact O-N 3.25Å
255	K	82.4	Confident	77.1	Confident	132 Å²	132	66.6 Å²	66.6	57%	0.574	36%	0.362	S	S	*	.	H	α-helix	trans	-63.3	-41.3	177.7	-72.3	165.5	-174.9	144.8	0	112.3	S251 S252 L253 L258 Q259	S251-K255 VanDerWaalsContact O-CD 3.3Å; S251-K255 WeakPolarHBondContact O-CD 3.31Å; S251-K255 VanDerWaalsContact O-CG 3.29Å; S251-K255 WeakPolarHBondContact O-CG 3.47Å; S251-K255 PolarHBondContact O-N 2.87Å; S251-K255 PolarHBondContact OG-NZ 2.74Å; S252-K255 PolarHBondContact O-N 3.1Å; L253-K255 PolarHBondContact O-N 3.18Å; K255-L258 PolarHBondContact O-N 3.44Å; K255-Q259 WeakPolarHBondContact O-CB 3.29Å; K255-Q259 PolarHBondContact O-N 3.25Å
256	K	78.4	Confident	76.6	Confident	70 Å²	70	70.6 Å²	70.6	30%	0.304	39%	0.385	S	S	.	.	H	α-helix	trans	-64.2	-42.9	175.6	-90.3	-138.6	166	-157.4	0	112.9	F217 D218 H219 S252 L253 E254 Q259 A260	F217-K256 VanDerWaalsContact O-CD 3.27Å; F217-K256 WeakPolarHBondContact O-CD 3.29Å; F217-K256 PolarHBondContact O-NZ 3.28Å; D218-K256 VanDerWaalsContact C-NZ 3.29Å; D218-K256 PolarHBondContact O-NZ 3.05Å; H219-K256 HydrophobicContact CB-CD 4.32Å; S252-K256 PolarHBondContact O-N 2.68Å; L253-K256 PolarHBondContact O-N 2.68Å; E254-K256 PolarHBondContact O-N 2.9Å; K256-Q259 PolarHBondContact O-N 2.88Å; K256-A260 WeakPolarHBondContact O-CB 3.15Å; K256-A260 PolarHBondContact O-N 3.41Å
257	V	79.9	Confident	75.9	Confident	40 Å²	40	75 Å²	75	24%	0.242	41%	0.408	C	S	.	.	H	α-helix	trans	-66.6	-41.5	176.8	170.5	0	0	0	0	110.6	F217 L253 E254 A260 L261	F217-V257 HydrophobicContact CD1-CG2 4.05Å; F217-V257 HydrophobicContact CD2-CG2 3.87Å; F217-V257 HydrophobicContact CE1-CG2 3.91Å; F217-V257 HydrophobicContact CE2-CG2 3.72Å; F217-V257 HydrophobicContact CG-CG2 4.04Å; F217-V257 HydrophobicContact CZ-CG2 3.74Å; L253-V257 HydrophobicContact CD2-CG2 3.74Å; L253-V257 WeakPolarHBondContact O-CG2 3.32Å; L253-V257 PolarHBondContact O-N 3.05Å; E254-V257 PolarHBondContact O-N 3.35Å; V257-A260 PolarHBondContact O-N 2.9Å; V257-L261 HydrophobicContact CG1-CD1 3.85Å; V257-L261 HydrophobicContact CG1-CG 4.38Å; V257-L261 WeakPolarHBondContact O-CB 3.49Å; V257-L261 VanDerWaalsContact O-CG 3.26Å; V257-L261 WeakPolarHBondContact O-CG 3.44Å; V257-L261 PolarHBondContact O-N 2.88Å
258	L	80.3	Confident	74.9	Confident	95 Å²	95	76.6 Å²	76.6	50%	0.497	41%	0.413	S	S	.	.	H	α-helix	trans	-60.8	-45.4	174.6	-178.7	61.1	0	0	0	111.8	E254 K255 L261 Q262	E254-L258 WeakPolarHBondContact O-CB 3.43Å; E254-L258 PolarHBondContact O-N 3.25Å; K255-L258 PolarHBondContact O-N 3.44Å; L258-L261 PolarHBondContact O-N 3.15Å; L258-Q262 HydrophobicContact CD1-CG 4.46Å; L258-Q262 WeakPolarHBondContact O-CB 3.47Å; L258-Q262 VanDerWaalsContact O-CG 3.26Å; L258-Q262 WeakPolarHBondContact O-CG 3.29Å; L258-Q262 PolarHBondContact O-N 2.93Å
259	Q	81.2	Confident	73.6	Confident	97 Å²	97	80 Å²	80	45%	0.453	43%	0.426	S	S	.	.	H	α-helix	trans	-61.3	-50.2	175.1	-174	66.8	56.9	0	0	111.2	K255 K256 L261 Q262 D263	K255-Q259 WeakPolarHBondContact O-CB 3.29Å; K255-Q259 PolarHBondContact O-N 3.25Å; K256-Q259 PolarHBondContact O-N 2.88Å; Q259-L261 VanDerWaalsContact C-N 3.28Å; Q259-L261 PolarHBondContact O-N 2.86Å; Q259-Q262 PolarHBondContact O-N 2.88Å; Q259-Q262 VanDerWaalsContact O-N 3.08Å; Q259-D263 PolarHBondContact NE2-OD1 2.81Å; Q259-D263 PolarHBondContact NE2-OD2 3.35Å; Q259-D263 WeakPolarHBondContact O-CB 3.34Å; Q259-D263 PolarHBondContact O-N 2.81Å
260	A	74.9	Confident	72.3	Confident	41 Å²	41	85 Å²	85	34%	0.339	45%	0.452	S	S	.	.	H	α-helix	trans	-60.9	-35	179.6	0	0	0	0	0	112.8	F217 K256 V257 A264	F217-A260 HydrophobicContact CD1-CB 4.47Å; K256-A260 WeakPolarHBondContact O-CB 3.15Å; K256-A260 PolarHBondContact O-N 3.41Å; V257-A260 PolarHBondContact O-N 2.9Å; A260-A264 WeakPolarHBondContact O-CB 3.49Å; A260-A264 PolarHBondContact O-N 2.96Å
261	L	70.2	Confident	70.5	Confident	107 Å²	107	84.5 Å²	84.5	56%	0.56	46%	0.459	S	S	*	.	H	α-helix	trans	-71.4	-38.9	173.4	-72.5	170.4	0	0	0	112.4	V257 L258 Q259 A264 V265	V257-L261 HydrophobicContact CG1-CD1 3.85Å; V257-L261 HydrophobicContact CG1-CG 4.38Å; V257-L261 WeakPolarHBondContact O-CB 3.49Å; V257-L261 VanDerWaalsContact O-CG 3.26Å; V257-L261 WeakPolarHBondContact O-CG 3.44Å; V257-L261 PolarHBondContact O-N 2.88Å; L258-L261 PolarHBondContact O-N 3.15Å; Q259-L261 VanDerWaalsContact C-N 3.28Å; Q259-L261 PolarHBondContact O-N 2.86Å; L261-A264 PolarHBondContact O-N 3.5Å; L261-V265 WeakPolarHBondContact O-CB 3.35Å; L261-V265 VanDerWaalsContact O-CG2 3.29Å; L261-V265 WeakPolarHBondContact O-CG2 3.34Å; L261-V265 PolarHBondContact O-N 2.93Å
262	Q	76.9	Confident	69	Low	97 Å²	97	89.1 Å²	89.1	45%	0.453	49%	0.486	S	S	.	.	H	α-helix	trans	-65.5	-43.5	174.3	-73.9	172	1	0	0	111.4	L258 Q259 V265 T266	L258-Q262 HydrophobicContact CD1-CG 4.46Å; L258-Q262 WeakPolarHBondContact O-CB 3.47Å; L258-Q262 VanDerWaalsContact O-CG 3.26Å; L258-Q262 WeakPolarHBondContact O-CG 3.29Å; L258-Q262 PolarHBondContact O-N 2.93Å; Q259-Q262 PolarHBondContact O-N 2.88Å; Q259-Q262 VanDerWaalsContact O-N 3.08Å; Q262-V265 PolarHBondContact O-N 3.01Å; Q262-T266 WeakPolarHBondContact O-CB 3.14Å; Q262-T266 PolarHBondContact O-N 3.23Å; Q262-T266 PolarHBondContact O-OG1 2.84Å
263	D	70.8	Confident	66.8	Low	70 Å²	70	95.6 Å²	95.6	37%	0.374	51%	0.511	S	S	.	.	H	α-helix	trans	-64.1	-41.8	175.3	-63.8	-19.1	0	0	0	110.7	Q259 T266 N267	Q259-D263 PolarHBondContact NE2-OD1 2.81Å; Q259-D263 PolarHBondContact NE2-OD2 3.35Å; Q259-D263 WeakPolarHBondContact O-CB 3.34Å; Q259-D263 PolarHBondContact O-N 2.81Å; D263-T266 PolarHBondContact O-N 3.13Å; D263-N267 VanDerWaalsContact O-CB 3.24Å; D263-N267 WeakPolarHBondContact O-CB 3.17Å; D263-N267 VanDerWaalsContact O-CG 3.27Å; D263-N267 PolarHBondContact O-N 2.82Å; D263-N267 PolarHBondContact O-ND2 2.89Å
264	A	64.9	Low	64.9	Low	35 Å²	35	100.7 Å²	100.7	29%	0.289	55%	0.545	S	S	.	.	H	α-helix	trans	-64.4	-42.8	175.1	0	0	0	0	0	112.7	A260 L261 T266 H268	A260-A264 WeakPolarHBondContact O-CB 3.49Å; A260-A264 PolarHBondContact O-N 2.96Å; L261-A264 PolarHBondContact O-N 3.5Å; A264-T266 VanDerWaalsContact C-N 3.31Å; A264-T266 PolarHBondContact O-N 3.4Å; A264-H268 VanDerWaalsContact O-CB 3.29Å; A264-H268 WeakPolarHBondContact O-CB 3.29Å; A264-H268 PolarHBondContact O-CD2 2.95Å; A264-H268 PolarHBondContact O-N 3.36Å
265	V	66.6	Low	62.7	Low	61 Å²	61	99.7 Å²	99.7	37%	0.37	55%	0.553	S	S	.	*	H	α-helix	trans	-62.5	-40	175.4	166.9	0	0	0	0	111.2	L261 Q262 N269 L270 A271	L261-V265 WeakPolarHBondContact O-CB 3.35Å; L261-V265 VanDerWaalsContact O-CG2 3.29Å; L261-V265 WeakPolarHBondContact O-CG2 3.34Å; L261-V265 PolarHBondContact O-N 2.93Å; Q262-V265 PolarHBondContact O-N 3.01Å; V265-N269 PolarHBondContact O-N 3.01Å; V265-L270 HydrophobicContact CG2-CB 4.4Å; V265-L270 PolarHBondContact O-N 2.65Å; V265-A271 HydrophobicContact CG1-CB 4.25Å
266	T	67.6	Low	60.3	Low	100 Å²	100	102 Å²	102	61%	0.613	57%	0.566	S	S	*	*	H	α-helix	trans	-72.3	-44.1	-179.4	-52.9	0	0	0	0	112	Q262 D263 A264	Q262-T266 WeakPolarHBondContact O-CB 3.14Å; Q262-T266 PolarHBondContact O-N 3.23Å; Q262-T266 PolarHBondContact O-OG1 2.84Å; D263-T266 PolarHBondContact O-N 3.13Å; A264-T266 VanDerWaalsContact C-N 3.31Å; A264-T266 PolarHBondContact O-N 3.4Å
267	N	62.8	Low	58.4	Low	121 Å²	121	104.2 Å²	104.2	65%	0.647	59%	0.587	S	S	*	*	H	α-helix	trans	-80.3	-23.9	-177.1	-68.6	-45.6	0	0	0	113.8	D263	D263-N267 VanDerWaalsContact O-CB 3.24Å; D263-N267 WeakPolarHBondContact O-CB 3.17Å; D263-N267 VanDerWaalsContact O-CG 3.27Å; D263-N267 PolarHBondContact O-N 2.82Å; D263-N267 PolarHBondContact O-ND2 2.89Å
268	H	57.9	Low	56.5	Low	136 Å²	136	107.8 Å²	107.8	63%	0.63	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.7	10.3	179.9	-58.8	-59	0	0	0	114.5	A264 L270	A264-H268 VanDerWaalsContact O-CB 3.29Å; A264-H268 WeakPolarHBondContact O-CB 3.29Å; A264-H268 PolarHBondContact O-CD2 2.95Å; A264-H268 PolarHBondContact O-N 3.36Å; H268-L270 HydrophobicContact CB-CD1 4.37Å; H268-L270 HydrophobicContact CB-CG 4.26Å; H268-L270 PolarHBondContact O-N 3.25Å
269	N	50.8	Low	54.4	Low	144 Å²	144	109.3 Å²	109.3	77%	0.77	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	52.9	35.1	178.1	-72.5	-59.3	0	0	0	114.4	V265 A271	V265-N269 PolarHBondContact O-N 3.01Å; N269-A271 PolarHBondContact O-N 3.06Å
270	L	53.7	Low	52.1	Low	123 Å²	123	112.3 Å²	112.3	64%	0.644	65%	0.646	S	S	*	*			trans	-80.3	12.9	178.2	-65.9	173.2	0	0	0	113.3	V265 H268 V272	V265-L270 HydrophobicContact CG2-CB 4.4Å; V265-L270 PolarHBondContact O-N 2.65Å; H268-L270 HydrophobicContact CB-CD1 4.37Å; H268-L270 HydrophobicContact CB-CG 4.26Å; H268-L270 PolarHBondContact O-N 3.25Å; L270-V272 PolarHBondContact O-N 2.78Å
271	A	41.6	Very low	50.2	Low	69 Å²	69	116 Å²	116	57%	0.57	67%	0.666	S	S	*	*			trans	-74.1	105.2	177.6	0	0	0	0	0	111.3	V265 N269 Q273	V265-A271 HydrophobicContact CG1-CB 4.25Å; N269-A271 PolarHBondContact O-N 3.06Å; A271-Q273 PolarHBondContact O-N 3.32Å
272	V	46.2	Very low	48.4	Very low	138 Å²	138	115.1 Å²	115.1	84%	0.836	67%	0.674	S	S	*	*			trans	-56.9	123.7	160	177.3	0	0	0	0	107.8	L270	L270-V272 PolarHBondContact O-N 2.78Å
273	Q	35.7	Very low	46.3	Very low	181 Å²	181	116.5 Å²	116.5	85%	0.846	69%	0.692	S	S	*	*			trans	-60.6	132.4	-179.8	-74.2	-162.5	0.7	0	0	110.8	A271 S275	A271-Q273 PolarHBondContact O-N 3.32Å; Q273-S275 PolarHBondContact O-N 2.87Å
274	P	39.1	Very low	44.3	Very low	123 Å²	123	119 Å²	119	80%	0.799	71%	0.71	S	S	*	*			trans	-67.6	115.7	173.2	27.7	-32.8	0	0	0	109.4	Q276	P274-Q276 PolarHBondContact O-N 2.85Å
275	S	34.1	Very low	42.6	Very low	114 Å²	114	124.7 Å²	124.7	80%	0.797	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-55.5	134.3	169.9	53.6	0	0	0	0	110.3	Q273	Q273-S275 PolarHBondContact O-N 2.87Å
276	Q	32.4	Very low	41.3	Very low	181 Å²	181	127.5 Å²	127.5	85%	0.846	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-54.2	144.6	178.7	-69.9	-177.6	-61.8	0	0	111.8	P274	P274-Q276 PolarHBondContact O-N 2.85Å
277	P	39.3	Very low	39.4	Very low	115 Å²	115	128.3 Å²	128.3	75%	0.747	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-64.3	142.1	175.7	28.1	-34.8	0	0	0	110.7
278	P	38.5	Very low	37.9	Very low	115 Å²	115	128 Å²	128	75%	0.747	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-66.1	146.4	174.2	28.9	-34.6	0	0	0	110.8
279	P	36.3	Very low	36.4	Very low	127 Å²	127	125.9 Å²	125.9	83%	0.825	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-66.9	142.4	176.5	28.1	-34.3	0	0	0	111.4
280	N	33.3	Very low	35.6	Very low	160 Å²	160	128.4 Å²	128.4	86%	0.856	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-65.9	151.7	177.1	-93	-36.4	0	0	0	112.4
281	P	35.3	Very low	34.3	Very low	118 Å²	118	129.6 Å²	129.6	77%	0.766	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-74.8	135.8	-165.2	28.5	-35.8	0	0	0	114.2
282	A	33.1	Very low	33.8	Very low	89 Å²	89	134.2 Å²	134.2	74%	0.736	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-74.3	153.1	160.9	0	0	0	0	0	110.6
283	P	32.1	Very low	33.2	Very low	127 Å²	127	133.9 Å²	133.9	83%	0.825	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-68.7	144.4	-167.7	26.1	-35.1	0	0	0	114.5	I285	P283-I285 PolarHBondContact O-N 3.19Å; P283-I285 VanDerWaalsContact O-N 3.14Å
284	T	30	Very low	33.5	Very low	123 Å²	123	133.8 Å²	133.8	76%	0.755	78%	0.783	S	S	*	*			trans	-64.8	104.5	-174.4	-44.4	0	0	0	0	113.4	V286	T284-V286 HydrophobicContact CG2-CG2 3.92Å; T284-V286 PolarHBondContact O-N 3.18Å
285	I	29.1	Very low	33.8	Very low	154 Å²	154	135.9 Å²	135.9	79%	0.79	78%	0.782	S	S	*	*			trans	-78.1	110.3	154.4	-66.6	178.8	0	0	0	107.3	P283 T287	P283-I285 PolarHBondContact O-N 3.19Å; P283-I285 VanDerWaalsContact O-N 3.14Å; I285-T287 PolarHBondContact O-N 3.13Å
286	V	37.9	Very low	34.5	Very low	120 Å²	120	137.1 Å²	137.1	73%	0.727	78%	0.779	S	S	*	*			trans	-73.9	95.5	-179.4	-178.8	0	0	0	0	110	T284	T284-V286 HydrophobicContact CG2-CG2 3.92Å; T284-V286 PolarHBondContact O-N 3.18Å
287	T	29	Very low	36.2	Very low	117 Å²	117	129.9 Å²	129.9	72%	0.718	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-88	133.6	149.8	46.4	0	0	0	0	108.9	I285 A289	I285-T287 PolarHBondContact O-N 3.13Å; T287-A289 PolarHBondContact O-N 3.14Å
288	P	30.6	Very low	38.4	Very low	115 Å²	115	126.9 Å²	126.9	75%	0.747	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-63.5	128.7	-176.4	26	-34	0	0	0	110.4	K290	P288-K290 PolarHBondContact O-N 3.22Å
289	A	26.4	Very low	40.8	Very low	91 Å²	91	123.8 Å²	123.8	75%	0.752	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-58.8	127.2	177.6	0	0	0	0	0	110	T287 N291	T287-A289 PolarHBondContact O-N 3.14Å; A289-N291 PolarHBondContact O-N 2.99Å
290	K	34.1	Very low	43.4	Very low	196 Å²	196	121.3 Å²	121.3	85%	0.852	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-64.5	123.9	163.8	-74.6	-178.2	176.6	178	0	107.3	P288 N292	P288-K290 PolarHBondContact O-N 3.22Å; K290-N292 PolarHBondContact O-N 3.06Å
291	N	27	Very low	46.2	Very low	148 Å²	148	114 Å²	114	79%	0.791	65%	0.65	S	S	*	*			trans	-55.7	109.6	174.2	-67.5	-22.9	0	0	0	109.3	A289 T293	A289-N291 PolarHBondContact O-N 2.99Å; N291-T293 PolarHBondContact O-N 3.14Å; N291-T293 PolarHBondContact O-OG1 2.88Å
292	N	31.5	Very low	48.9	Very low	167 Å²	167	112.4 Å²	112.4	89%	0.893	63%	0.632	S	S	*	*			trans	-62.2	108.3	169.7	-90.4	-7.2	0	0	0	107.5	K290	K290-N292 PolarHBondContact O-N 3.06Å
293	T	32.6	Very low	51.7	Low	131 Å²	131	108.3 Å²	108.3	80%	0.804	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-71.3	145	-167.2	-36.4	0	0	0	0	109.8	N291 Q295	N291-T293 PolarHBondContact O-N 3.14Å; N291-T293 PolarHBondContact O-OG1 2.88Å; T293-Q295 PolarHBondContact O-N 2.96Å
294	R	42.8	Very low	54.5	Low	178 Å²	178	109 Å²	109	67%	0.672	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-47.8	135.8	171.6	-139.6	-177.5	-163.4	179.2	7.4	109.5	L296 D318	R294-L296 PolarHBondContact O-N 2.87Å; R294-D318 IonicContact NH1-OD1 2.67Å; R294-D318 PolarHBondContact NH1-OD1 3.39Å; R294-D318 IonicContact NH1-OD2 3.71Å
295	Q	45.1	Very low	57.2	Low	168 Å²	168	103.4 Å²	103.4	79%	0.785	55%	0.553	S	S	*	*	S	Bend	trans	-53.4	133.2	177.5	-171.9	168.3	-16.3	0	0	109.8	T293 S297	T293-Q295 PolarHBondContact O-N 2.96Å; Q295-S297 PolarHBondContact O-N 3.35Å; Q295-S297 VanDerWaalsContact O-N 3.12Å
296	L	48.3	Very low	59.6	Low	140 Å²	140	100.9 Å²	100.9	73%	0.733	55%	0.545	S	S	*	.			trans	-48.5	112.4	-157.7	-71.6	161.3	0	0	0	113.6	R294 V298 H299	R294-L296 PolarHBondContact O-N 2.87Å; L296-V298 PolarHBondContact O-N 3.18Å; L296-V298 VanDerWaalsContact O-N 3.09Å; L296-H299 PolarHBondContact O-CE1 2.73Å
297	S	67.9	Low	61.2	Low	28 Å²	28	103 Å²	103	20%	0.196	54%	0.54	C	S	.	.			trans	-72.9	5.4	175.7	36.5	0	0	0	0	114.5	Q295 V317 D318	Q295-S297 PolarHBondContact O-N 3.35Å; Q295-S297 VanDerWaalsContact O-N 3.12Å; S297-V317 PolarHBondContact O-N 3.33Å; S297-V317 VanDerWaalsContact O-N 3.08Å; S297-D318 WeakPolarHBondContact CB-OD2 3.37Å; S297-D318 PolarHBondContact OG-OD2 2.84Å
298	V	85.1	Confident	63.3	Low	53 Å²	53	103 Å²	103	32%	0.321	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	100.2	-179.1	-173.6	0	0	0	0	110.6	L296 V315 D316	L296-V298 PolarHBondContact O-N 3.18Å; L296-V298 VanDerWaalsContact O-N 3.09Å; V298-V315 CarbonylContact C-O 3.53Å; V298-V315 WeakPolarHBondContact CA-O 3.4Å; V298-D316 HydrophobicContact CG2-CB 3.98Å
299	H	89.9	Confident	65.8	Low	50 Å²	50	99.3 Å²	99.3	23%	0.231	51%	0.511	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	126.3	-176.2	-65.8	78.6	0	0	0	110.6	L296 F301 S314 V315 L382	L296-H299 PolarHBondContact O-CE1 2.73Å; H299-F301 HydrophobicContact CB-CE2 4Å; H299-F301 HydrophobicContact CB-CZ 4.5Å; H299-S314 CarbonylContact O-C 3.6Å; H299-S314 WeakPolarHBondContact O-CA 3.27Å; H299-V315 PolarHBondContact N-O 3.19Å; H299-V315 PolarHBondContact O-N 2.83Å; H299-L382 HydrophobicContact CB-CD1 3.62Å
300	S	91.4	Very high	68.6	Low	75 Å²	75	104.3 Å²	104.3	52%	0.524	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	128.7	-167.6	-61.1	0	0	0	0	113.5	S314	S300-S314 WeakPolarHBondContact OG-CB 3.44Å; S300-S314 PolarHBondContact OG-OG 2.89Å
301	F	92.1	Very high	71.2	Confident	7 Å²	7	95.5 Å²	95.5	3%	0.031	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	129.6	-175.2	-61.9	-90.8	0	0	0	110.9	H299 V303 I312 V313 V315 F370 K375 F379 L382	H299-F301 HydrophobicContact CB-CE2 4Å; H299-F301 HydrophobicContact CB-CZ 4.5Å; F301-V303 HydrophobicContact CB-CG1 4.41Å; F301-I312 WeakPolarHBondContact O-CA 3.37Å; F301-V313 PolarHBondContact N-O 3.3Å; F301-V313 PolarHBondContact O-N 3.08Å; F301-V315 HydrophobicContact CD2-CG2 4.5Å; F301-V315 HydrophobicContact CE2-CG2 4.23Å; F301-F370 HydrophobicContact CB-CD1 4.14Å; F301-F370 HydrophobicContact CB-CE1 3.84Å; F301-F370 HydrophobicContact CD1-CD1 4.26Å; F301-F370 HydrophobicContact CD1-CE1 4.22Å; F301-F370 HydrophobicContact CG-CD1 4.45Å; F301-F370 HydrophobicContact CG-CE1 4.07Å; F301-K375 HydrophobicContact CD1-CB 4.16Å; F301-K375 HydrophobicContact CE1-CB 4.33Å; F301-K375 WeakPolarHBondContact CE1-O 3.29Å; F301-F379 HydrophobicContact CD1-CB 4.32Å; F301-F379 HydrophobicContact CD2-CB 4.27Å; F301-F379 AromaticContact CD2-CD2 3.7Å; F301-F379 HydrophobicContact CD2-CD2 3.7Å; F301-F379 HydrophobicContact CD2-CG 4.47Å; F301-F379 HydrophobicContact CE1-CB 4.18Å; F301-F379 HydrophobicContact CE2-CB 4.12Å; F301-F379 HydrophobicContact CE2-CD2 4.02Å; F301-F379 HydrophobicContact CG-CB 4.38Å; F301-F379 HydrophobicContact CG-CD2 4.23Å; F301-F379 HydrophobicContact CZ-CB 4.08Å; F301-L382 HydrophobicContact CE2-CD1 3.86Å; F301-L382 HydrophobicContact CZ-CD1 3.71Å
302	Q	91.3	Very high	74.1	Confident	84 Å²	84	90.7 Å²	90.7	39%	0.393	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	124.6	169.4	-176.7	165.1	-5.2	0	0	109.6
303	V	92.1	Very high	77	Confident	2 Å²	2	82.8 Å²	82.8	1%	0.012	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	149.6	-176.7	-62.9	0	0	0	0	112	F301 M305 R310 Q311 V313 T369 F370	F301-V303 HydrophobicContact CB-CG1 4.41Å; V303-M305 HydrophobicContact CG2-CG 4.09Å; V303-M305 HydrophobicContact CG2-SD 4.08Å; V303-R310 WeakPolarHBondContact O-CA 3.36Å; V303-Q311 PolarHBondContact N-O 3.41Å; V303-Q311 PolarHBondContact O-N 3.03Å; V303-V313 HydrophobicContact CG2-CB 4.32Å; V303-V313 HydrophobicContact CG2-CG2 3.55Å; V303-T369 CarbonylContact C-O 3.57Å; V303-T369 WeakPolarHBondContact CA-O 3.34Å; V303-F370 HydrophobicContact CG1-CD1 3.58Å; V303-F370 HydrophobicContact CG1-CD2 4.4Å; V303-F370 HydrophobicContact CG1-CE1 3.48Å; V303-F370 VanDerWaalsContact CG1-CE1 3.48Å; V303-F370 HydrophobicContact CG1-CE2 4.31Å; V303-F370 HydrophobicContact CG1-CG 4.04Å; V303-F370 HydrophobicContact CG1-CZ 3.84Å
304	K	91.3	Very high	79.9	Confident	143 Å²	143	77.2 Å²	77.2	62%	0.622	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.8	110.8	167.5	-173.4	180	179.3	-177.4	0	108.9	T369	K304-T369 PolarHBondContact N-O 3.18Å; K304-T369 PolarHBondContact O-N 2.72Å
305	M	86	Confident	82.3	Confident	5 Å²	5	68.8 Å²	68.8	3%	0.025	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	127.5	176.9	-63.2	-70.6	-80.1	0	0	109.7	V303 R307 Y308 G309 Q311 F324 R366 M368	V303-M305 HydrophobicContact CG2-CG 4.09Å; V303-M305 HydrophobicContact CG2-SD 4.08Å; M305-R307 PolarHBondContact O-N 3.34Å; M305-R307 VanDerWaalsContact O-N 3.13Å; M305-Y308 HydrophobicContact CB-CD2 4.39Å; M305-Y308 HydrophobicContact CE-CD2 4.44Å; M305-Y308 PolarHBondContact O-N 2.94Å; M305-G309 PolarHBondContact N-O 3.06Å; M305-G309 PolarHBondContact O-N 2.79Å; M305-Q311 HydrophobicContact CG-CB 4.23Å; M305-Q311 HydrophobicContact CG-CG 4.3Å; M305-F324 HydrophobicContact CE-CD1 4.25Å; M305-F324 HydrophobicContact CE-CE1 3.74Å; M305-F324 HydrophobicContact SD-CE1 4.45Å; M305-R366 HydrophobicContact CE-CB 4.07Å; M305-R366 HydrophobicContact CE-CG 4.28Å; M305-M368 HydrophobicContact CE-CE 4.23Å; M305-M368 HydrophobicContact SD-CB 3.84Å; M305-M368 HydrophobicContact SD-CE 3.71Å; M305-M368 HydrophobicContact SD-CG 4.06Å
306	V	79.9	Confident	84.5	Confident	101 Å²	101	61.6 Å²	61.6	61%	0.612	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-34.2	-174	173.1	0	0	0	0	113.3	E367	V306-E367 HydrophobicContact CB-CB 4.2Å; V306-E367 HydrophobicContact CG2-CB 3.56Å; V306-E367 PolarHBondContact N-O 2.99Å; V306-E367 VanDerWaalsContact N-O 3.15Å
307	R	70.6	Confident	86.6	Confident	165 Å²	165	55.2 Å²	55.2	62%	0.623	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	-12.5	-178.9	-65.7	-174.6	177.1	-144.8	-5.9	115.4	M305 T364	M305-R307 PolarHBondContact O-N 3.34Å; M305-R307 VanDerWaalsContact O-N 3.13Å; R307-T364 PolarHBondContact NH1-OG1 3.09Å; R307-T364 VanDerWaalsContact NH1-OG1 3.11Å
308	Y	73.9	Confident	87.6	Confident	115 Å²	115	56.4 Å²	56.4	45%	0.451	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.6	9.1	-164.4	-51.5	-65.4	0	0	0	114.9	M305	M305-Y308 HydrophobicContact CB-CD2 4.39Å; M305-Y308 HydrophobicContact CE-CD2 4.44Å; M305-Y308 PolarHBondContact O-N 2.94Å
309	G	82	Confident	87.8	Confident	39 Å²	39	58 Å²	58	40%	0.402	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	72.8	-148.7	178.3	0	0	0	0	0	113.3	M305	M305-G309 PolarHBondContact N-O 3.06Å; M305-G309 PolarHBondContact O-N 2.79Å
310	R	85.8	Confident	87.9	Confident	195 Å²	195	55.6 Å²	55.6	74%	0.736	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.8	129	176.7	-88.9	171.5	157.9	164.3	-6.4	110.4	V303	V303-R310 WeakPolarHBondContact O-CA 3.36Å
311	Q	88.2	Confident	87.9	Confident	12 Å²	12	53.1 Å²	53.1	6%	0.056	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	164.7	173.9	-71	-174.1	-11.9	0	0	110.2	V303 M305	V303-Q311 PolarHBondContact N-O 3.41Å; V303-Q311 PolarHBondContact O-N 3.03Å; M305-Q311 HydrophobicContact CG-CB 4.23Å; M305-Q311 HydrophobicContact CG-CG 4.3Å
312	I	89.5	Confident	87.9	Confident	47 Å²	47	52.8 Å²	52.8	24%	0.241	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	130.8	164.4	-59.5	172.4	0	0	0	107.1	F301 D325	F301-I312 WeakPolarHBondContact O-CA 3.37Å; I312-D325 HydrophobicContact CB-CB 4.21Å; I312-D325 PolarHBondContact O-N 3.26Å
313	V	91.7	Very high	87.9	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	123.7	174.3	178.9	0	0	0	0	108.2	F301 V303 L322 L323 F324 M368 F379	F301-V313 PolarHBondContact N-O 3.3Å; F301-V313 PolarHBondContact O-N 3.08Å; V303-V313 HydrophobicContact CG2-CB 4.32Å; V303-V313 HydrophobicContact CG2-CG2 3.55Å; V313-L322 HydrophobicContact CG1-CD2 4.09Å; V313-L323 CarbonylContact C-O 3.56Å; V313-L323 VanDerWaalsContact CA-O 3.3Å; V313-L323 WeakPolarHBondContact CA-O 3.35Å; V313-F324 HydrophobicContact CG1-CE1 4.21Å; V313-F324 HydrophobicContact CG1-CE2 4.43Å; V313-F324 HydrophobicContact CG1-CZ 4.1Å; V313-F324 HydrophobicContact CG2-CD1 3.54Å; V313-F324 HydrophobicContact CG2-CE1 3.48Å; V313-F324 VanDerWaalsContact CG2-CE1 3.48Å; V313-F324 HydrophobicContact CG2-CG 4.3Å; V313-F324 HydrophobicContact CG2-CZ 4.22Å; V313-M368 HydrophobicContact CG1-CE 4.35Å; V313-M368 HydrophobicContact CG2-CE 3.97Å; V313-F379 HydrophobicContact CG1-CE2 3.84Å; V313-F379 HydrophobicContact CG1-CZ 4.27Å
314	S	92.3	Very high	87.7	Confident	15 Å²	15	50.2 Å²	50.2	11%	0.105	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	135.3	-178.8	-47.3	0	0	0	0	111.3	H299 S300 L322 L323	H299-S314 CarbonylContact O-C 3.6Å; H299-S314 WeakPolarHBondContact O-CA 3.27Å; S300-S314 WeakPolarHBondContact OG-CB 3.44Å; S300-S314 PolarHBondContact OG-OG 2.89Å; S314-L322 CarbonylContact O-C 3.59Å; S314-L322 WeakPolarHBondContact O-CA 3.46Å; S314-L323 PolarHBondContact N-O 3.29Å; S314-L323 PolarHBondContact O-N 3.29Å
315	V	93.8	Very high	87.4	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	112.4	172.4	-167.9	0	0	0	0	108.3	V298 H299 F301 V317 L322 F379 L382 L383 M386	V298-V315 CarbonylContact C-O 3.53Å; V298-V315 WeakPolarHBondContact CA-O 3.4Å; H299-V315 PolarHBondContact N-O 3.19Å; H299-V315 PolarHBondContact O-N 2.83Å; F301-V315 HydrophobicContact CD2-CG2 4.5Å; F301-V315 HydrophobicContact CE2-CG2 4.23Å; V315-V317 HydrophobicContact CG1-CG2 4.21Å; V315-L322 HydrophobicContact CB-CD2 4.29Å; V315-L322 HydrophobicContact CG1-CD2 4.45Å; V315-L322 HydrophobicContact CG2-CD2 3.78Å; V315-F379 HydrophobicContact CG2-CD2 3.51Å; V315-F379 HydrophobicContact CG2-CE2 3.57Å; V315-L382 HydrophobicContact CB-CB 4.3Å; V315-L382 HydrophobicContact CG1-CB 4.06Å; V315-L382 HydrophobicContact CG2-CB 4.35Å; V315-L383 HydrophobicContact CG1-CD2 4.14Å; V315-M386 HydrophobicContact CG1-CB 4.37Å; V315-M386 HydrophobicContact CG1-SD 3.89Å
316	D	92.3	Very high	86.7	Confident	18 Å²	18	49 Å²	49	10%	0.096	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	102.3	170.1	-176.5	-18.6	0	0	0	109.1	V298 D318 T319 G320 V321	V298-D316 HydrophobicContact CG2-CB 3.98Å; D316-D318 PolarHBondContact OD1-N 3.41Å; D316-D318 VanDerWaalsContact OD1-N 3.08Å; D316-T319 PolarHBondContact OD1-N 3.09Å; D316-T319 PolarHBondContact OD1-OG1 2.83Å; D316-T319 WeakPolarHBondContact OD2-CB 3.34Å; D316-T319 VanDerWaalsContact OD2-CG2 3.28Å; D316-T319 WeakPolarHBondContact OD2-CG2 3.33Å; D316-T319 PolarHBondContact OD2-OG1 3.44Å; D316-G320 WeakPolarHBondContact O-CA 3.46Å; D316-G320 PolarHBondContact O-N 3.26Å; D316-V321 HydrophobicContact CB-CG2 4.09Å; D316-V321 PolarHBondContact N-O 3.37Å; D316-V321 PolarHBondContact O-N 3.41Å
317	V	90.6	Very high	85.7	Confident	5 Å²	5	52.1 Å²	52.1	3%	0.03	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-29.7	-175.9	-177.4	0	0	0	0	111.6	S297 V315 L382 L385 M386 H390	S297-V317 PolarHBondContact O-N 3.33Å; S297-V317 VanDerWaalsContact O-N 3.08Å; V315-V317 HydrophobicContact CG1-CG2 4.21Å; V317-L382 HydrophobicContact CG2-CD2 4.11Å; V317-L385 HydrophobicContact CG1-CB 4.5Å; V317-L385 HydrophobicContact CG1-CD2 3.92Å; V317-L385 HydrophobicContact CG1-CG 3.8Å; V317-M386 HydrophobicContact CG1-CB 4.49Å; V317-H390 PolarHBondContact O-NE2 2.95Å
318	D	89.5	Confident	84.8	Confident	53 Å²	53	48.9 Å²	48.9	28%	0.283	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-39.3	-176.6	-78	-22.1	0	0	0	112.2	R294 S297 D316 R389 H390	R294-D318 IonicContact NH1-OD1 2.67Å; R294-D318 PolarHBondContact NH1-OD1 3.39Å; R294-D318 IonicContact NH1-OD2 3.71Å; S297-D318 WeakPolarHBondContact CB-OD2 3.37Å; S297-D318 PolarHBondContact OG-OD2 2.84Å; D316-D318 PolarHBondContact OD1-N 3.41Å; D316-D318 VanDerWaalsContact OD1-N 3.08Å; D318-R389 IonicContact OD1-CZ 3.02Å; D318-R389 IonicContact OD1-NH1 3.95Å; D318-R389 PolarHBondContact OD1-NH1 2.89Å; D318-H390 PolarHBondContact O-CE1 3.21Å; D318-H390 PolarHBondContact O-NE2 3.38Å; D318-H390 VanDerWaalsContact O-NE2 3.13Å
319	T	90.1	Very high	83.6	Confident	87 Å²	87	48.8 Å²	48.8	53%	0.534	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-8.2	175.3	78.1	0	0	0	0	114.1	D316	D316-T319 PolarHBondContact OD1-N 3.09Å; D316-T319 PolarHBondContact OD1-OG1 2.83Å; D316-T319 WeakPolarHBondContact OD2-CB 3.34Å; D316-T319 VanDerWaalsContact OD2-CG2 3.28Å; D316-T319 WeakPolarHBondContact OD2-CG2 3.33Å; D316-T319 PolarHBondContact OD2-OG1 3.44Å
320	G	91.1	Very high	82.2	Confident	0 Å²	0	52 Å²	52	0%	0	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.9	34.4	170.2	0	0	0	0	0	113.8	D316 H338 H390	D316-G320 WeakPolarHBondContact O-CA 3.46Å; D316-G320 PolarHBondContact O-N 3.26Å; G320-H338 WeakPolarHBondContact O-CB 3.21Å; G320-H338 PolarHBondContact O-N 3.32Å; G320-H338 PolarHBondContact O-ND1 3.39Å; G320-H390 WeakPolarHBondContact CA-NE2 3.37Å; G320-H390 PolarHBondContact N-CE1 2.76Å; G320-H390 PolarHBondContact N-NE2 3.15Å
321	V	92.4	Very high	80.7	Confident	23 Å²	23	49.9 Å²	49.9	14%	0.139	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	147.9	-176.7	-51.4	0	0	0	0	113.5	D316 L323 V336	D316-V321 HydrophobicContact CB-CG2 4.09Å; D316-V321 PolarHBondContact N-O 3.37Å; D316-V321 PolarHBondContact O-N 3.41Å; V321-L323 HydrophobicContact CG2-CD2 3.68Å; V321-L323 HydrophobicContact CG2-CG 4.22Å; V321-V336 WeakPolarHBondContact CA-O 3.36Å
322	L	91.7	Very high	79.6	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	137.2	157.2	-75.2	178.1	0	0	0	110.3	V313 S314 V315 F324 K335 V336 I341 M356 F379 L383	V313-L322 HydrophobicContact CG1-CD2 4.09Å; S314-L322 CarbonylContact O-C 3.59Å; S314-L322 WeakPolarHBondContact O-CA 3.46Å; V315-L322 HydrophobicContact CB-CD2 4.29Å; V315-L322 HydrophobicContact CG1-CD2 4.45Å; V315-L322 HydrophobicContact CG2-CD2 3.78Å; L322-F324 HydrophobicContact CB-CE2 3.99Å; L322-F324 HydrophobicContact CD1-CE2 4.27Å; L322-K335 WeakPolarHBondContact O-CA 3.41Å; L322-V336 HydrophobicContact CB-CB 4.31Å; L322-V336 PolarHBondContact N-O 3.43Å; L322-V336 PolarHBondContact O-N 2.8Å; L322-I341 HydrophobicContact CD1-CD1 3.65Å; L322-I341 HydrophobicContact CG-CD1 4.01Å; L322-M356 HydrophobicContact CD1-CE 3.77Å; L322-M356 HydrophobicContact CD1-SD 3.57Å; L322-M356 VanDerWaalsContact CD1-SD 3.57Å; L322-F379 HydrophobicContact CD1-CZ 4.34Å; L322-F379 HydrophobicContact CD2-CE2 3.8Å; L322-F379 HydrophobicContact CD2-CZ 4Å; L322-L383 HydrophobicContact CD1-CD2 4.18Å; L322-L383 HydrophobicContact CD2-CD2 3.81Å; L322-L383 HydrophobicContact CG-CD2 3.97Å
323	L	91.2	Very high	79	Confident	32 Å²	32	55 Å²	55	17%	0.168	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	133.7	172	-53.2	177.7	0	0	0	109.6	V313 S314 V321 I333 K335	V313-L323 CarbonylContact C-O 3.56Å; V313-L323 VanDerWaalsContact CA-O 3.3Å; V313-L323 WeakPolarHBondContact CA-O 3.35Å; S314-L323 PolarHBondContact N-O 3.29Å; S314-L323 PolarHBondContact O-N 3.29Å; V321-L323 HydrophobicContact CG2-CD2 3.68Å; V321-L323 HydrophobicContact CG2-CG 4.22Å; L323-I333 HydrophobicContact CB-CG2 3.99Å; L323-I333 HydrophobicContact CD2-CG2 4.29Å; L323-K335 HydrophobicContact CD2-CB 4.4Å; L323-K335 HydrophobicContact CD2-CD 3.83Å; L323-K335 HydrophobicContact CD2-CG 3.68Å
324	F	88.4	Confident	78.7	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	108.3	175	-73.6	-100	0	0	0	109.9	M305 V313 L322 E334 V336 M356 M368	M305-F324 HydrophobicContact CE-CD1 4.25Å; M305-F324 HydrophobicContact CE-CE1 3.74Å; M305-F324 HydrophobicContact SD-CE1 4.45Å; V313-F324 HydrophobicContact CG1-CE1 4.21Å; V313-F324 HydrophobicContact CG1-CE2 4.43Å; V313-F324 HydrophobicContact CG1-CZ 4.1Å; V313-F324 HydrophobicContact CG2-CD1 3.54Å; V313-F324 HydrophobicContact CG2-CE1 3.48Å; V313-F324 VanDerWaalsContact CG2-CE1 3.48Å; V313-F324 HydrophobicContact CG2-CG 4.3Å; V313-F324 HydrophobicContact CG2-CZ 4.22Å; L322-F324 HydrophobicContact CB-CE2 3.99Å; L322-F324 HydrophobicContact CD1-CE2 4.27Å; F324-E334 HydrophobicContact CB-CB 4.14Å; F324-E334 PolarHBondContact N-O 3.42Å; F324-E334 PolarHBondContact O-N 3.46Å; F324-E334 VanDerWaalsContact O-N 3.14Å; F324-V336 HydrophobicContact CD2-CG2 4.33Å; F324-V336 HydrophobicContact CE2-CG2 4.09Å; F324-M356 HydrophobicContact CE2-CE 4.22Å; F324-M356 HydrophobicContact CZ-CE 3.68Å; F324-M368 HydrophobicContact CE1-CE 3.67Å; F324-M368 HydrophobicContact CZ-CE 3.87Å
325	D	83.8	Confident	78.6	Confident	51 Å²	51	63.4 Å²	63.4	27%	0.273	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	128.2	173	176.1	32.4	0	0	0	110.9	I312 K327	I312-D325 HydrophobicContact CB-CB 4.21Å; I312-D325 PolarHBondContact O-N 3.26Å; D325-K327 WeakPolarHBondContact OD2-CE 3.34Å; D325-K327 WeakPolarHBondContact OD2-CG 3.4Å
326	R	72.3	Confident	78.4	Confident	71 Å²	71	63.5 Å²	63.5	27%	0.268	35%	0.354	S	S	.	.			trans	-116.6	91.2	-178	-61.6	-172.3	-179.4	-166.5	4.7	109.1	S328 E334	R326-S328 PolarHBondContact O-N 3.16Å; R326-E334 IonicContact CZ-OE2 3.64Å; R326-E334 IonicContact NE-OE2 3.76Å; R326-E334 IonicContact NH2-OE1 3.52Å; R326-E334 IonicContact NH2-OE2 3.63Å; R326-E334 PolarHBondContact NH2-OE2 3.43Å
327	K	58.9	Low	78.2	Confident	166 Å²	166	64.4 Å²	64.4	72%	0.722	36%	0.361	S	S	*	.			trans	-66.9	22	-179.5	-62	-167.7	173.9	-172.8	0	116	D325	D325-K327 WeakPolarHBondContact OD2-CE 3.34Å; D325-K327 WeakPolarHBondContact OD2-CG 3.4Å
328	S	51.1	Low	78.1	Confident	97 Å²	97	66 Å²	66	68%	0.678	37%	0.369	S	S	*	.	S	Bend	trans	-118.9	119.8	175.1	-169.6	0	0	0	0	109.3	R326 S330	R326-S328 PolarHBondContact O-N 3.16Å; S328-S330 PolarHBondContact O-N 2.97Å
329	S	49.2	Very low	78	Confident	114 Å²	114	68.5 Å²	68.5	80%	0.797	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	110.1	-169.6	51.4	0	0	0	0	114.9
330	S	52	Low	77.9	Confident	106 Å²	106	68.4 Å²	68.4	74%	0.741	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	160.8	-24.8	145.2	42.2	0	0	0	0	113.2	S328	S328-S330 PolarHBondContact O-N 2.97Å
331	F	54.2	Low	77.8	Confident	150 Å²	150	68.5 Å²	68.5	66%	0.658	37%	0.372	S	S	*	.			trans	-114.7	127.1	-177.2	-66.2	-88.9	0	0	0	111.5
332	G	64.9	Low	77.4	Confident	63 Å²	63	71.2 Å²	71.2	65%	0.649	39%	0.386	S	S	*	.			trans	-72.7	-178.8	-176.5	0	0	0	0	0	115.2	E334	G332-E334 PolarHBondContact O-N 3.29Å; G332-E334 VanDerWaalsContact O-N 3.16Å
333	I	78.1	Confident	77.1	Confident	103 Å²	103	74.9 Å²	74.9	53%	0.528	40%	0.403	S	S	.	.			trans	-56.8	116.7	-178	-57.6	172	0	0	0	110.3	L323	L323-I333 HydrophobicContact CB-CG2 3.99Å; L323-I333 HydrophobicContact CD2-CG2 4.29Å
334	E	85.5	Confident	77	Confident	51 Å²	51	73.4 Å²	73.4	24%	0.238	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	126.4	177.1	170.6	-178.8	-145.1	0	0	109.9	F324 R326 G332 R366	F324-E334 HydrophobicContact CB-CB 4.14Å; F324-E334 PolarHBondContact N-O 3.42Å; F324-E334 PolarHBondContact O-N 3.46Å; F324-E334 VanDerWaalsContact O-N 3.14Å; R326-E334 IonicContact CZ-OE2 3.64Å; R326-E334 IonicContact NE-OE2 3.76Å; R326-E334 IonicContact NH2-OE1 3.52Å; R326-E334 IonicContact NH2-OE2 3.63Å; R326-E334 PolarHBondContact NH2-OE2 3.43Å; G332-E334 PolarHBondContact O-N 3.29Å; G332-E334 VanDerWaalsContact O-N 3.16Å; E334-R366 IonicContact OE1-CZ 3.61Å; E334-R366 IonicContact OE1-NH1 3.76Å; E334-R366 IonicContact OE1-NH2 2.69Å; E334-R366 PolarHBondContact OE1-NH2 3.49Å; E334-R366 IonicContact OE2-CZ 3.44Å; E334-R366 IonicContact OE2-NH1 2.68Å; E334-R366 PolarHBondContact OE2-NH1 2.68Å; E334-R366 IonicContact OE2-NH2 3.23Å; E334-R366 PolarHBondContact OE2-NH2 2.98Å
335	K	88.7	Confident	77	Confident	141 Å²	141	73.8 Å²	73.8	61%	0.613	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.6	133.8	179.3	-54.6	-161.9	176.8	-172.7	0	111.4	L322 L323	L322-K335 WeakPolarHBondContact O-CA 3.41Å; L323-K335 HydrophobicContact CD2-CB 4.4Å; L323-K335 HydrophobicContact CD2-CD 3.83Å; L323-K335 HydrophobicContact CD2-CG 3.68Å
336	V	89.4	Confident	77.1	Confident	2 Å²	2	73.3 Å²	73.3	1%	0.012	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	110.9	174.6	-179.4	0	0	0	0	109	V321 L322 F324 R340 I341 V358	V321-V336 WeakPolarHBondContact CA-O 3.36Å; L322-V336 HydrophobicContact CB-CB 4.31Å; L322-V336 PolarHBondContact N-O 3.43Å; L322-V336 PolarHBondContact O-N 2.8Å; F324-V336 HydrophobicContact CD2-CG2 4.33Å; F324-V336 HydrophobicContact CE2-CG2 4.09Å; V336-R340 HydrophobicContact CG1-CB 4.28Å; V336-I341 HydrophobicContact CG1-CG1 4.07Å; V336-V358 HydrophobicContact CG1-CG1 3.58Å; V336-V358 HydrophobicContact CG1-CG2 4.15Å; V336-V358 HydrophobicContact CG2-CG1 4.48Å
337	S	89.8	Confident	77.7	Confident	37 Å²	37	70.8 Å²	70.8	26%	0.259	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	148.9	178.8	50.7	0	0	0	0	112.6	N339 R340	S337-N339 VanDerWaalsContact CB-OD1 3.25Å; S337-N339 WeakPolarHBondContact CB-OD1 3.4Å; S337-N339 PolarHBondContact O-N 2.81Å; S337-N339 VanDerWaalsContact O-N 3.07Å; S337-N339 PolarHBondContact OG-OD1 2.91Å; S337-R340 PolarHBondContact O-N 3.19Å
338	H	87.6	Confident	78.6	Confident	40 Å²	40	67.5 Å²	67.5	19%	0.185	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-52.4	-32.9	-176.1	70.2	-86.9	0	0	0	114	G320 I341 M386 K387 H390	G320-H338 WeakPolarHBondContact O-CB 3.21Å; G320-H338 PolarHBondContact O-N 3.32Å; G320-H338 PolarHBondContact O-ND1 3.39Å; H338-I341 PolarHBondContact O-N 3.14Å; H338-M386 HydrophobicContact CB-CE 3.72Å; H338-M386 HydrophobicContact CB-CG 4.39Å; H338-M386 HydrophobicContact CB-SD 4.49Å; H338-K387 HydrophobicContact CB-CG 4.26Å; H338-K387 PolarHBondContact O-NZ 2.64Å; H338-H390 VanDerWaalsContact CE1-CB 3.5Å; H338-H390 WeakPolarHBondContact CE1-CB 3.32Å; H338-H390 AromaticContact ND1-CG 3.97Å
339	N	86.8	Confident	80.2	Confident	104 Å²	104	68.3 Å²	68.3	56%	0.556	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-71.5	-29.6	179.9	64.2	-16.9	0	0	0	112.9	S337 I341	S337-N339 VanDerWaalsContact CB-OD1 3.25Å; S337-N339 WeakPolarHBondContact CB-OD1 3.4Å; S337-N339 PolarHBondContact O-N 2.81Å; S337-N339 VanDerWaalsContact O-N 3.07Å; S337-N339 PolarHBondContact OG-OD1 2.91Å; N339-I341 VanDerWaalsContact C-N 3.28Å; N339-I341 PolarHBondContact O-N 2.77Å
340	R	88.4	Confident	81.9	Confident	86 Å²	86	67.8 Å²	67.8	33%	0.325	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-78.9	-9	176.3	-67.3	178.4	63	-153.6	-3.9	113.3	V336 S337 L342 V358 D359	V336-R340 HydrophobicContact CG1-CB 4.28Å; S337-R340 PolarHBondContact O-N 3.19Å; R340-L342 PolarHBondContact O-N 3.03Å; R340-V358 HydrophobicContact CB-CG1 4.24Å; R340-V358 CarbonylContact O-C 3.56Å; R340-V358 VanDerWaalsContact O-CA 3.3Å; R340-V358 WeakPolarHBondContact O-CA 3.18Å; R340-D359 HydrophobicContact CB-CB 4.33Å; R340-D359 PolarHBondContact NE-O 2.87Å; R340-D359 PolarHBondContact NH2-O 3.14Å; R340-D359 PolarHBondContact O-N 2.77Å
341	I	88.4	Confident	83.5	Confident	2 Å²	2	66.3 Å²	66.3	1%	0.01	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	101.6	175.7	-48.2	175.7	0	0	0	108.5	L322 V336 H338 N339 I344 M356 L383 M386 K387 L861	L322-I341 HydrophobicContact CD1-CD1 3.65Å; L322-I341 HydrophobicContact CG-CD1 4.01Å; V336-I341 HydrophobicContact CG1-CG1 4.07Å; H338-I341 PolarHBondContact O-N 3.14Å; N339-I341 VanDerWaalsContact C-N 3.28Å; N339-I341 PolarHBondContact O-N 2.77Å; I341-I344 HydrophobicContact CG2-CD1 4.5Å; I341-I344 HydrophobicContact CG2-CG1 4.35Å; I341-M356 HydrophobicContact CD1-SD 4.42Å; I341-M356 HydrophobicContact CG1-SD 4.42Å; I341-M356 HydrophobicContact CG2-CG 3.92Å; I341-M356 HydrophobicContact CG2-SD 3.78Å; I341-L383 HydrophobicContact CD1-CD2 3.99Å; I341-M386 HydrophobicContact CD1-CE 3.84Å; I341-K387 PolarHBondContact O-NZ 2.92Å; I341-L861 HydrophobicContact CG2-CD1 4.14Å; I341-L861 WeakPolarHBondContact O-CD1 3.36Å
342	L	84.9	Confident	85.3	Confident	80 Å²	80	60.3 Å²	60.3	42%	0.419	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	-39.2	-171	-61.3	-179.4	0	0	0	113.1	R340 V357 D359 K856	R340-L342 PolarHBondContact O-N 3.03Å; L342-V357 HydrophobicContact CB-CG1 4.44Å; L342-V357 HydrophobicContact CD1-CG1 4.45Å; L342-V357 PolarHBondContact N-O 2.77Å; L342-D359 HydrophobicContact CD1-CB 3.97Å; L342-D359 HydrophobicContact CD2-CB 4.25Å; L342-D359 HydrophobicContact CG-CB 4.1Å; L342-K856 PolarHBondContact O-NZ 3.49Å
343	Q	85.9	Confident	86.7	Confident	77 Å²	77	59.3 Å²	59.3	36%	0.36	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	149.7	-173.6	-167.6	175.8	30.4	0	0	111.7	V357 L861 C863	Q343-V357 HydrophobicContact CB-CB 4.06Å; Q343-V357 HydrophobicContact CB-CG2 4.1Å; Q343-V357 PolarHBondContact O-N 3.1Å; Q343-L861 CarbonylContact C-O 3.59Å; Q343-L861 WeakPolarHBondContact CA-O 3.17Å; Q343-C863 PolarHBondContact NE2-SG 3.28Å
344	I	88.7	Confident	87.4	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	120.1	170.2	-58.7	176.3	0	0	0	108.7	I341 I354 M356 L383 L861 F862 C863	I341-I344 HydrophobicContact CG2-CD1 4.5Å; I341-I344 HydrophobicContact CG2-CG1 4.35Å; I344-I354 HydrophobicContact CG2-CB 4.04Å; I344-I354 HydrophobicContact CG2-CD1 4.02Å; I344-I354 HydrophobicContact CG2-CG1 4.47Å; I344-I354 HydrophobicContact CG2-CG2 4.22Å; I344-M356 HydrophobicContact CG1-CG 4.29Å; I344-L383 HydrophobicContact CD1-CD1 3.48Å; I344-L383 VanDerWaalsContact CD1-CD1 3.48Å; I344-L861 HydrophobicContact CD1-CD2 3.54Å; I344-L861 HydrophobicContact CD1-CG 4.16Å; I344-L861 HydrophobicContact CG1-CD2 4Å; I344-L861 HydrophobicContact CG1-CG 4.06Å; I344-L861 PolarHBondContact N-O 3.49Å; I344-F862 HydrophobicContact CB-CD1 3.95Å; I344-F862 HydrophobicContact CB-CE1 3.81Å; I344-F862 HydrophobicContact CB-CZ 4.43Å; I344-F862 HydrophobicContact CD1-CE1 3.94Å; I344-F862 HydrophobicContact CD1-CZ 3.81Å; I344-F862 HydrophobicContact CG1-CE1 4.46Å; I344-F862 HydrophobicContact CG2-CD1 4.01Å; I344-F862 HydrophobicContact CG2-CE1 3.69Å; I344-F862 WeakPolarHBondContact O-CA 3.36Å; I344-C863 PolarHBondContact O-N 3.25Å
345	V	87.5	Confident	87.7	Confident	9 Å²	9	54.9 Å²	54.9	6%	0.055	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	123.5	172.7	-160.3	0	0	0	0	109.1	I354 R355 C863 E865	V345-I354 CarbonylContact O-C 3.51Å; V345-I354 WeakPolarHBondContact O-CA 3.32Å; V345-I354 VanDerWaalsContact O-CB 3.3Å; V345-I354 WeakPolarHBondContact O-CB 3.15Å; V345-R355 HydrophobicContact CB-CB 4.01Å; V345-R355 HydrophobicContact CG2-CB 4.01Å; V345-R355 HydrophobicContact CG2-CG 4.38Å; V345-R355 PolarHBondContact N-O 3.4Å; V345-R355 PolarHBondContact O-N 3.32Å; V345-C863 CarbonylContact C-O 3.58Å; V345-C863 WeakPolarHBondContact CA-O 3.49Å; V345-E865 HydrophobicContact CG1-CB 3.5Å
346	K	86.9	Confident	87.8	Confident	41 Å²	41	48.1 Å²	48.1	18%	0.178	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	136.4	164.5	-73.5	-169.8	176.2	-171.5	0	109.8	I354 D377 C380 F862 C863 F864 E865	K346-I354 HydrophobicContact CG-CG2 3.99Å; K346-D377 IonicContact NZ-OD1 3.27Å; K346-D377 PolarHBondContact NZ-OD1 3.34Å; K346-C380 WeakPolarHBondContact CE-SG 3.16Å; K346-F862 HydrophobicContact CG-CD1 4.43Å; K346-C863 PolarHBondContact N-O 3.21Å; K346-F864 HydrophobicContact CB-CD1 3.81Å; K346-F864 HydrophobicContact CB-CE1 3.85Å; K346-F864 HydrophobicContact CD-CE1 3.96Å; K346-F864 HydrophobicContact CG-CE1 4.43Å; K346-F864 WeakPolarHBondContact O-CA 3.45Å; K346-E865 PolarHBondContact O-N 3.25Å; K346-E865 VanDerWaalsContact O-N 3.14Å
347	F	84.7	Confident	87.7	Confident	17 Å²	17	49.8 Å²	49.8	8%	0.075	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	118.3	178.1	-66.2	-86.6	0	0	0	110.5	N349 H350 K353 R355 E865	F347-N349 VanDerWaalsContact C-N 3.34Å; F347-N349 PolarHBondContact O-N 3.4Å; F347-H350 HydrophobicContact CB-CB 3.99Å; F347-H350 CarbonylContact O-C 3.6Å; F347-H350 PolarHBondContact O-N 2.87Å; F347-H350 VanDerWaalsContact O-N 3.08Å; F347-K353 HydrophobicContact CD2-CB 3.9Å; F347-K353 HydrophobicContact CD2-CD 3.62Å; F347-K353 HydrophobicContact CD2-CG 3.66Å; F347-K353 WeakPolarHBondContact CD2-O 3.45Å; F347-K353 HydrophobicContact CE2-CD 3.64Å; F347-K353 HydrophobicContact CE2-CG 3.8Å; F347-K353 HydrophobicContact CG-CD 4.25Å; F347-K353 HydrophobicContact CZ-CD 4.28Å; F347-R355 HydrophobicContact CE2-CB 3.99Å; F347-R355 HydrophobicContact CZ-CB 4.04Å; F347-E865 HydrophobicContact CD1-CB 4.47Å; F347-E865 WeakPolarHBondContact CE1-OE2 3.47Å
348	Q	78.8	Confident	87.6	Confident	98 Å²	98	48.4 Å²	48.4	46%	0.458	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-40.9	-175.7	-64.8	-167.8	-27	0	0	112.7	H350 F864 E865	Q348-H350 VanDerWaalsContact C-N 3.28Å; Q348-H350 PolarHBondContact O-N 2.93Å; Q348-F864 HydrophobicContact CG-CB 4.27Å; Q348-F864 HydrophobicContact CG-CD1 4.43Å; Q348-E865 PolarHBondContact N-O 3.1Å
349	N	83.4	Confident	87.3	Confident	113 Å²	113	50.7 Å²	50.7	60%	0.604	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-6.6	179.2	-62	-13.7	0	0	0	113.7	F347	F347-N349 VanDerWaalsContact C-N 3.34Å; F347-N349 PolarHBondContact O-N 3.4Å
350	H	86.3	Confident	86.6	Confident	104 Å²	104	48.1 Å²	48.1	48%	0.481	25%	0.245	S	C	.	.			trans	-142.1	69.8	-175.9	-62.2	100.4	0	0	0	110	F347 Q348 A352 K353	F347-H350 HydrophobicContact CB-CB 3.99Å; F347-H350 CarbonylContact O-C 3.6Å; F347-H350 PolarHBondContact O-N 2.87Å; F347-H350 VanDerWaalsContact O-N 3.08Å; Q348-H350 VanDerWaalsContact C-N 3.28Å; Q348-H350 PolarHBondContact O-N 2.93Å; H350-A352 PolarHBondContact O-N 2.88Å; H350-K353 HydrophobicContact CB-CB 4.01Å; H350-K353 WeakPolarHBondContact O-CB 3.48Å; H350-K353 PolarHBondContact O-N 2.92Å
351	P	85.4	Confident	84.8	Confident	75 Å²	75	54.9 Å²	54.9	49%	0.487	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-14	-169.5	26.1	-36	0	0	0	114.7	K353 C376	P351-K353 VanDerWaalsContact C-N 3.31Å; P351-C376 PolarHBondContact O-SG 2.6Å
352	A	91.9	Very high	83.2	Confident	23 Å²	23	63.5 Å²	63.5	19%	0.19	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	5.5	170.3	0	0	0	0	0	113.8	H350 T369 F370	H350-A352 PolarHBondContact O-N 2.88Å; A352-T369 CarbonylContact O-C 3.52Å; A352-T369 WeakPolarHBondContact O-CA 3.48Å; A352-F370 PolarHBondContact O-N 2.87Å
353	K	93	Very high	82.1	Confident	42 Å²	42	61.6 Å²	61.6	18%	0.183	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	140.8	-176.5	-169.6	-168.8	175.8	-159.6	0	111	F347 H350 P351 E367 M368 T369	F347-K353 HydrophobicContact CD2-CB 3.9Å; F347-K353 HydrophobicContact CD2-CD 3.62Å; F347-K353 HydrophobicContact CD2-CG 3.66Å; F347-K353 WeakPolarHBondContact CD2-O 3.45Å; F347-K353 HydrophobicContact CE2-CD 3.64Å; F347-K353 HydrophobicContact CE2-CG 3.8Å; F347-K353 HydrophobicContact CG-CD 4.25Å; F347-K353 HydrophobicContact CZ-CD 4.28Å; H350-K353 HydrophobicContact CB-CB 4.01Å; H350-K353 WeakPolarHBondContact O-CB 3.48Å; H350-K353 PolarHBondContact O-N 2.92Å; P351-K353 VanDerWaalsContact C-N 3.31Å; K353-E367 WeakPolarHBondContact CE-OE2 3.39Å; K353-E367 IonicContact NZ-OE1 2.72Å; K353-E367 IonicContact NZ-OE2 2.77Å; K353-E367 PolarHBondContact NZ-OE2 2.84Å; K353-M368 WeakPolarHBondContact CA-O 3.24Å; K353-M368 WeakPolarHBondContact CG-O 3.3Å; K353-T369 HydrophobicContact CB-CG2 4.44Å
354	I	93	Very high	81.3	Confident	0 Å²	0	61 Å²	61	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	161.7	167	67.4	-174	0	0	0	112.4	I344 V345 K346 E367 M368 F370 C376 F379	I344-I354 HydrophobicContact CG2-CB 4.04Å; I344-I354 HydrophobicContact CG2-CD1 4.02Å; I344-I354 HydrophobicContact CG2-CG1 4.47Å; I344-I354 HydrophobicContact CG2-CG2 4.22Å; V345-I354 CarbonylContact O-C 3.51Å; V345-I354 WeakPolarHBondContact O-CA 3.32Å; V345-I354 VanDerWaalsContact O-CB 3.3Å; V345-I354 WeakPolarHBondContact O-CB 3.15Å; K346-I354 HydrophobicContact CG-CG2 3.99Å; I354-E367 WeakPolarHBondContact O-CA 3.15Å; I354-M368 HydrophobicContact CD1-CG 4.43Å; I354-M368 HydrophobicContact CD1-SD 3.78Å; I354-M368 HydrophobicContact CG1-CB 4.34Å; I354-M368 HydrophobicContact CG1-CG 3.84Å; I354-M368 HydrophobicContact CG1-SD 3.86Å; I354-M368 PolarHBondContact N-O 2.96Å; I354-M368 PolarHBondContact O-N 2.84Å; I354-F370 HydrophobicContact CD1-CE2 3.78Å; I354-F370 HydrophobicContact CD1-CZ 4.19Å; I354-F370 HydrophobicContact CG1-CE2 4.01Å; I354-C376 VanDerWaalsContact CG2-SG 3.55Å; I354-F379 HydrophobicContact CD1-CD1 3.86Å; I354-F379 HydrophobicContact CD1-CE1 3.56Å
355	R	91.9	Very high	81.1	Confident	61 Å²	61	64 Å²	64	23%	0.23	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	113.2	167.5	-179.8	-168.6	-62.1	147.4	3.9	108.6	V345 F347 P365 R366 E367 E865	V345-R355 HydrophobicContact CB-CB 4.01Å; V345-R355 HydrophobicContact CG2-CB 4.01Å; V345-R355 HydrophobicContact CG2-CG 4.38Å; V345-R355 PolarHBondContact N-O 3.4Å; V345-R355 PolarHBondContact O-N 3.32Å; F347-R355 HydrophobicContact CE2-CB 3.99Å; F347-R355 HydrophobicContact CZ-CB 4.04Å; R355-P365 HydrophobicContact CG-CB 3.5Å; R355-P365 VanDerWaalsContact CG-CB 3.5Å; R355-R366 WeakPolarHBondContact CA-O 3.43Å; R355-E367 HydrophobicContact CB-CG 3.98Å; R355-E367 HydrophobicContact CG-CG 3.87Å; R355-E367 IonicContact CZ-OE1 3.84Å; R355-E367 VanDerWaalsContact CZ-OE1 3.27Å; R355-E367 IonicContact NE-OE1 3.77Å; R355-E367 PolarHBondContact NE-OE1 3.05Å; R355-E367 IonicContact NH2-OE1 3.03Å; R355-E367 PolarHBondContact NH2-OE1 2.93Å; R355-E865 IonicContact CZ-OE1 3.66Å; R355-E865 IonicContact CZ-OE2 2.75Å; R355-E865 IonicContact NH1-OE1 3.9Å; R355-E865 PolarHBondContact NH1-OE1 3.3Å; R355-E865 IonicContact NH1-OE2 3.61Å; R355-E865 PolarHBondContact NH1-OE2 2.82Å; R355-E865 IonicContact NH2-OE1 2.69Å; R355-E865 IonicContact NH2-OE2 3.66Å; R355-E865 PolarHBondContact NH2-OE2 2.88Å
356	M	90.8	Very high	81	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	129.3	177.9	-176.1	176.9	63.9	0	0	111.2	L322 F324 I341 I344 V358 R366 M368	L322-M356 HydrophobicContact CD1-CE 3.77Å; L322-M356 HydrophobicContact CD1-SD 3.57Å; L322-M356 VanDerWaalsContact CD1-SD 3.57Å; F324-M356 HydrophobicContact CE2-CE 4.22Å; F324-M356 HydrophobicContact CZ-CE 3.68Å; I341-M356 HydrophobicContact CD1-SD 4.42Å; I341-M356 HydrophobicContact CG1-SD 4.42Å; I341-M356 HydrophobicContact CG2-CG 3.92Å; I341-M356 HydrophobicContact CG2-SD 3.78Å; I344-M356 HydrophobicContact CG1-CG 4.29Å; M356-V358 HydrophobicContact CE-CG2 3.67Å; M356-V358 HydrophobicContact CG-CG2 4.08Å; M356-V358 HydrophobicContact SD-CG2 4.23Å; M356-R366 HydrophobicContact CB-CB 4.48Å; M356-R366 PolarHBondContact N-O 2.85Å; M356-R366 PolarHBondContact O-N 2.92Å; M356-M368 HydrophobicContact CB-SD 4.37Å
357	V	88.1	Confident	81.2	Confident	36 Å²	36	65.2 Å²	65.2	22%	0.218	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	125.9	173.7	-172.3	0	0	0	0	108.9	L342 Q343 P365	L342-V357 HydrophobicContact CB-CG1 4.44Å; L342-V357 HydrophobicContact CD1-CG1 4.45Å; L342-V357 PolarHBondContact N-O 2.77Å; Q343-V357 HydrophobicContact CB-CB 4.06Å; Q343-V357 HydrophobicContact CB-CG2 4.1Å; Q343-V357 PolarHBondContact O-N 3.1Å; V357-P365 HydrophobicContact CG2-CB 4.4Å; V357-P365 HydrophobicContact CG2-CG 4.37Å
358	V	87.1	Confident	81.5	Confident	8 Å²	8	64.4 Å²	64.4	5%	0.048	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	137.8	-178.2	-179.5	0	0	0	0	109.4	V336 R340 M356 S360 S363	V336-V358 HydrophobicContact CG1-CG1 3.58Å; V336-V358 HydrophobicContact CG1-CG2 4.15Å; V336-V358 HydrophobicContact CG2-CG1 4.48Å; R340-V358 HydrophobicContact CB-CG1 4.24Å; R340-V358 CarbonylContact O-C 3.56Å; R340-V358 VanDerWaalsContact O-CA 3.3Å; R340-V358 WeakPolarHBondContact O-CA 3.18Å; M356-V358 HydrophobicContact CE-CG2 3.67Å; M356-V358 HydrophobicContact CG-CG2 4.08Å; M356-V358 HydrophobicContact SD-CG2 4.23Å; V358-S360 PolarHBondContact O-N 3.03Å; V358-S363 PolarHBondContact O-OG 2.78Å
359	D	80.9	Confident	82.2	Confident	89 Å²	89	62 Å²	62	48%	0.476	32%	0.319	S	S	.	.			trans	-68.6	108.7	174.8	-172.8	12.6	0	0	0	112.2	R340 L342	R340-D359 HydrophobicContact CB-CB 4.33Å; R340-D359 PolarHBondContact NE-O 2.87Å; R340-D359 PolarHBondContact NH2-O 3.14Å; R340-D359 PolarHBondContact O-N 2.77Å; L342-D359 HydrophobicContact CD1-CB 3.97Å; L342-D359 HydrophobicContact CD2-CB 4.25Å; L342-D359 HydrophobicContact CG-CB 4.1Å
360	S	73	Confident	82.7	Confident	49 Å²	49	57.2 Å²	57.2	34%	0.343	29%	0.293	S	S	.	.	S	Bend	trans	-161.8	155.4	153.7	72.6	0	0	0	0	111	V358 H362 S363	V358-S360 PolarHBondContact O-N 3.03Å; S360-H362 PolarHBondContact O-N 3.11Å; S360-S363 PolarHBondContact N-OG 3.4Å; S360-S363 VanDerWaalsContact N-OG 3.15Å; S360-S363 PolarHBondContact O-N 3.43Å; S360-S363 PolarHBondContact O-OG 2.91Å; S360-S363 WeakPolarHBondContact OG-CB 3.46Å; S360-S363 PolarHBondContact OG-N 2.81Å; S360-S363 PolarHBondContact OG-OG 2.78Å
361	Y	51.2	Low	83	Confident	229 Å²	229	57.4 Å²	57.4	90%	0.898	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.9	-19.4	-174.6	-64.2	-86.3	0	0	0	117.4
362	H	54.3	Low	83.3	Confident	183 Å²	183	55.9 Å²	55.9	85%	0.847	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138	15.6	178.7	-60.6	-55.8	0	0	0	115.1	S360 T364	S360-H362 PolarHBondContact O-N 3.11Å; H362-T364 PolarHBondContact O-N 2.89Å
363	S	61.6	Low	83.2	Confident	39 Å²	39	57.4 Å²	57.4	27%	0.273	29%	0.294	S	S	.	.			trans	-79.9	105.3	-173.7	36.4	0	0	0	0	113.7	V358 S360	V358-S363 PolarHBondContact O-OG 2.78Å; S360-S363 PolarHBondContact N-OG 3.4Å; S360-S363 VanDerWaalsContact N-OG 3.15Å; S360-S363 PolarHBondContact O-N 3.43Å; S360-S363 PolarHBondContact O-OG 2.91Å; S360-S363 WeakPolarHBondContact OG-CB 3.46Å; S360-S363 PolarHBondContact OG-N 2.81Å; S360-S363 PolarHBondContact OG-OG 2.78Å
364	T	69.9	Low	83	Confident	64 Å²	64	59.9 Å²	59.9	39%	0.393	30%	0.303	S	S	.	.			trans	-61.7	143.3	159.9	59.2	0	0	0	0	110.5	R307 H362	R307-T364 PolarHBondContact NH1-OG1 3.09Å; R307-T364 VanDerWaalsContact NH1-OG1 3.11Å; H362-T364 PolarHBondContact O-N 2.89Å
365	P	82.6	Confident	82.9	Confident	63 Å²	63	63.2 Å²	63.2	41%	0.409	32%	0.317	S	S	.	.			trans	-54.5	143.3	-178.9	-27.3	35	0	0	0	114.2	R355 V357 E367	R355-P365 HydrophobicContact CG-CB 3.5Å; R355-P365 VanDerWaalsContact CG-CB 3.5Å; V357-P365 HydrophobicContact CG2-CB 4.4Å; V357-P365 HydrophobicContact CG2-CG 4.37Å; P365-E367 PolarHBondContact O-N 2.87Å
366	R	86.7	Confident	82.9	Confident	34 Å²	34	60.4 Å²	60.4	13%	0.128	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	101	-179.6	-66	-175.5	-172.1	-132.9	-9.7	110.1	M305 E334 R355 M356 M368	M305-R366 HydrophobicContact CE-CB 4.07Å; M305-R366 HydrophobicContact CE-CG 4.28Å; E334-R366 IonicContact OE1-CZ 3.61Å; E334-R366 IonicContact OE1-NH1 3.76Å; E334-R366 IonicContact OE1-NH2 2.69Å; E334-R366 PolarHBondContact OE1-NH2 3.49Å; E334-R366 IonicContact OE2-CZ 3.44Å; E334-R366 IonicContact OE2-NH1 2.68Å; E334-R366 PolarHBondContact OE2-NH1 2.68Å; E334-R366 IonicContact OE2-NH2 3.23Å; E334-R366 PolarHBondContact OE2-NH2 2.98Å; R355-R366 WeakPolarHBondContact CA-O 3.43Å; M356-R366 HydrophobicContact CB-CB 4.48Å; M356-R366 PolarHBondContact N-O 2.85Å; M356-R366 PolarHBondContact O-N 2.92Å; R366-M368 WeakPolarHBondContact O-CG 3.16Å
367	E	90.1	Very high	82.9	Confident	42 Å²	42	62.3 Å²	62.3	20%	0.196	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	124.8	169.2	-66.2	-157.1	163.4	0	0	111.2	V306 K353 I354 R355 P365	V306-E367 HydrophobicContact CB-CB 4.2Å; V306-E367 HydrophobicContact CG2-CB 3.56Å; V306-E367 PolarHBondContact N-O 2.99Å; V306-E367 VanDerWaalsContact N-O 3.15Å; K353-E367 WeakPolarHBondContact CE-OE2 3.39Å; K353-E367 IonicContact NZ-OE1 2.72Å; K353-E367 IonicContact NZ-OE2 2.77Å; K353-E367 PolarHBondContact NZ-OE2 2.84Å; I354-E367 WeakPolarHBondContact O-CA 3.15Å; R355-E367 HydrophobicContact CB-CG 3.98Å; R355-E367 HydrophobicContact CG-CG 3.87Å; R355-E367 IonicContact CZ-OE1 3.84Å; R355-E367 VanDerWaalsContact CZ-OE1 3.27Å; R355-E367 IonicContact NE-OE1 3.77Å; R355-E367 PolarHBondContact NE-OE1 3.05Å; R355-E367 IonicContact NH2-OE1 3.03Å; R355-E367 PolarHBondContact NH2-OE1 2.93Å; P365-E367 PolarHBondContact O-N 2.87Å
368	M	91.8	Very high	83.1	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	136.5	-173	-5.9	175.7	70.3	0	0	108.7	M305 V313 F324 K353 I354 M356 R366 F370 F379	M305-M368 HydrophobicContact CE-CE 4.23Å; M305-M368 HydrophobicContact SD-CB 3.84Å; M305-M368 HydrophobicContact SD-CE 3.71Å; M305-M368 HydrophobicContact SD-CG 4.06Å; V313-M368 HydrophobicContact CG1-CE 4.35Å; V313-M368 HydrophobicContact CG2-CE 3.97Å; F324-M368 HydrophobicContact CE1-CE 3.67Å; F324-M368 HydrophobicContact CZ-CE 3.87Å; K353-M368 WeakPolarHBondContact CA-O 3.24Å; K353-M368 WeakPolarHBondContact CG-O 3.3Å; I354-M368 HydrophobicContact CD1-CG 4.43Å; I354-M368 HydrophobicContact CD1-SD 3.78Å; I354-M368 HydrophobicContact CG1-CB 4.34Å; I354-M368 HydrophobicContact CG1-CG 3.84Å; I354-M368 HydrophobicContact CG1-SD 3.86Å; I354-M368 PolarHBondContact N-O 2.96Å; I354-M368 PolarHBondContact O-N 2.84Å; M356-M368 HydrophobicContact CB-SD 4.37Å; R366-M368 WeakPolarHBondContact O-CG 3.16Å; M368-F370 HydrophobicContact CB-CE2 4.48Å; M368-F379 HydrophobicContact SD-CE1 4.45Å; M368-F379 HydrophobicContact SD-CZ 4.47Å
369	T	93.3	Very high	83.3	Confident	49 Å²	49	60.3 Å²	60.3	30%	0.301	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	124.3	172.2	-45.6	0	0	0	0	109.6	V303 K304 A352 K353	V303-T369 CarbonylContact C-O 3.57Å; V303-T369 WeakPolarHBondContact CA-O 3.34Å; K304-T369 PolarHBondContact N-O 3.18Å; K304-T369 PolarHBondContact O-N 2.72Å; A352-T369 CarbonylContact O-C 3.52Å; A352-T369 WeakPolarHBondContact O-CA 3.48Å; K353-T369 HydrophobicContact CB-CG2 4.44Å
370	F	94.3	Very high	83.8	Confident	12 Å²	12	56.2 Å²	56.2	5%	0.053	28%	0.283	C	S	.	.			trans	-85.1	170.7	177.2	-65	-97.3	0	0	0	110.9	F301 V303 A352 I354 M368 S372 C376 F379	F301-F370 HydrophobicContact CB-CD1 4.14Å; F301-F370 HydrophobicContact CB-CE1 3.84Å; F301-F370 HydrophobicContact CD1-CD1 4.26Å; F301-F370 HydrophobicContact CD1-CE1 4.22Å; F301-F370 HydrophobicContact CG-CD1 4.45Å; F301-F370 HydrophobicContact CG-CE1 4.07Å; V303-F370 HydrophobicContact CG1-CD1 3.58Å; V303-F370 HydrophobicContact CG1-CD2 4.4Å; V303-F370 HydrophobicContact CG1-CE1 3.48Å; V303-F370 VanDerWaalsContact CG1-CE1 3.48Å; V303-F370 HydrophobicContact CG1-CE2 4.31Å; V303-F370 HydrophobicContact CG1-CG 4.04Å; V303-F370 HydrophobicContact CG1-CZ 3.84Å; A352-F370 PolarHBondContact O-N 2.87Å; I354-F370 HydrophobicContact CD1-CE2 3.78Å; I354-F370 HydrophobicContact CD1-CZ 4.19Å; I354-F370 HydrophobicContact CG1-CE2 4.01Å; M368-F370 HydrophobicContact CB-CE2 4.48Å; F370-S372 VanDerWaalsContact C-N 3.3Å; F370-C376 HydrophobicContact CB-CB 3.98Å; F370-C376 HydrophobicContact CD2-CB 3.56Å; F370-C376 HydrophobicContact CE2-CB 4.24Å; F370-C376 HydrophobicContact CG-CB 3.79Å; F370-F379 HydrophobicContact CE1-CB 3.65Å; F370-F379 HydrophobicContact CE1-CD1 4.08Å; F370-F379 AromaticContact CE1-CD2 3.98Å; F370-F379 HydrophobicContact CE1-CD2 3.98Å; F370-F379 AromaticContact CE1-CG 3.64Å; F370-F379 HydrophobicContact CE1-CG 3.64Å; F370-F379 HydrophobicContact CE2-CD1 4.2Å; F370-F379 HydrophobicContact CZ-CB 3.83Å; F370-F379 AromaticContact CZ-CD1 3.39Å; F370-F379 HydrophobicContact CZ-CD1 3.39Å; F370-F379 AromaticContact CZ-CD2 4Å; F370-F379 HydrophobicContact CZ-CD2 4Å; F370-F379 AromaticContact CZ-CE1 3.86Å; F370-F379 HydrophobicContact CZ-CE1 3.86Å; F370-F379 HydrophobicContact CZ-CE2 4.4Å; F370-F379 AromaticContact CZ-CG 3.46Å; F370-F379 HydrophobicContact CZ-CG 3.46Å; F370-F379 VanDerWaalsContact CZ-CG 3.46Å; F370-F379 HydrophobicContact CZ-CZ 4.33Å
371	E	92.3	Very high	84.7	Confident	107 Å²	107	55.4 Å²	55.4	50%	0.5	27%	0.274	S	S	.	.	S	Bend	trans	-70.1	-27.3	177.4	-56.8	175.6	146.7	0	0	112.7	K375	E371-K375 HydrophobicContact CB-CD 4.46Å; E371-K375 WeakPolarHBondContact OE2-CD 3.49Å; E371-K375 IonicContact OE2-NZ 2.81Å; E371-K375 PolarHBondContact OE2-NZ 3.06Å
372	S	91.8	Very high	86.6	Confident	44 Å²	44	44.5 Å²	44.5	31%	0.308	23%	0.231	S	C	.	.	S	Bend	trans	-151.7	164.6	179.1	68.3	0	0	0	0	111	F370 K375 C376	F370-S372 VanDerWaalsContact C-N 3.3Å; S372-K375 PolarHBondContact OG-N 2.81Å; S372-K375 VanDerWaalsContact OG-N 3.1Å; S372-C376 PolarHBondContact O-N 2.89Å
373	S	89.5	Confident	88.3	Confident	54 Å²	54	35.8 Å²	35.8	38%	0.378	19%	0.191	S	C	.	.	H	α-helix	trans	-59.6	-46.5	167.5	45.9	0	0	0	0	111	K375 C376 D377	S373-K375 PolarHBondContact O-N 3.01Å; S373-C376 CarbonylContact O-C 3.51Å; S373-C376 WeakPolarHBondContact O-CA 3.27Å; S373-C376 WeakPolarHBondContact O-CB 3.42Å; S373-C376 PolarHBondContact O-N 3.01Å; S373-D377 PolarHBondContact O-N 3.47Å; S373-D377 VanDerWaalsContact O-OD2 3.14Å
374	R	89	Confident	89.6	Confident	95 Å²	95	34.3 Å²	34.3	36%	0.358	18%	0.18	S	C	.	.	H	α-helix	trans	-50.8	-49.3	178.1	-172.5	-175.1	-71.2	-162.6	-2.5	112.8	C376 D377 S378 T429 P430 D431	R374-C376 VanDerWaalsContact C-N 3.35Å; R374-C376 PolarHBondContact O-N 3.41Å; R374-D377 PolarHBondContact O-N 3.37Å; R374-S378 PolarHBondContact O-N 2.86Å; R374-S378 PolarHBondContact O-OG 2.81Å; R374-T429 VanDerWaalsContact CZ-O 3.29Å; R374-T429 VanDerWaalsContact CZ-OG1 3.32Å; R374-T429 PolarHBondContact NE-O 2.91Å; R374-T429 VanDerWaalsContact NE-O 3.1Å; R374-T429 PolarHBondContact NH1-OG1 3.13Å; R374-T429 PolarHBondContact NH2-O 3.06Å; R374-T429 PolarHBondContact NH2-OG1 2.9Å; R374-P430 PolarHBondContact NH1-O 3.3Å; R374-D431 HydrophobicContact CG-CB 3.91Å
375	K	91.6	Very high	90.5	Very high	70 Å²	70	34 Å²	34	30%	0.304	18%	0.175	S	C	.	.	H	α-helix	trans	-66.9	-33.6	176.4	-75.9	-169.9	-178.4	-176.5	0	113.2	F301 E371 S372 S373 F379 D431	F301-K375 HydrophobicContact CD1-CB 4.16Å; F301-K375 HydrophobicContact CE1-CB 4.33Å; F301-K375 WeakPolarHBondContact CE1-O 3.29Å; E371-K375 HydrophobicContact CB-CD 4.46Å; E371-K375 WeakPolarHBondContact OE2-CD 3.49Å; E371-K375 IonicContact OE2-NZ 2.81Å; E371-K375 PolarHBondContact OE2-NZ 3.06Å; S372-K375 PolarHBondContact OG-N 2.81Å; S372-K375 VanDerWaalsContact OG-N 3.1Å; S373-K375 PolarHBondContact O-N 3.01Å; K375-F379 WeakPolarHBondContact O-CB 3.44Å; K375-F379 PolarHBondContact O-N 2.85Å; K375-D431 VanDerWaalsContact CG-OD2 3.3Å; K375-D431 WeakPolarHBondContact CG-OD2 3.17Å
376	C	91.8	Very high	90.8	Very high	1 Å²	1	31 Å²	31	1%	0.007	16%	0.156	C	C	.	.	H	α-helix	trans	-65	-43.7	172.9	-176.7	0	0	0	0	111.7	P351 I354 F370 S372 S373 R374 C380	P351-C376 PolarHBondContact O-SG 2.6Å; I354-C376 VanDerWaalsContact CG2-SG 3.55Å; F370-C376 HydrophobicContact CB-CB 3.98Å; F370-C376 HydrophobicContact CD2-CB 3.56Å; F370-C376 HydrophobicContact CE2-CB 4.24Å; F370-C376 HydrophobicContact CG-CB 3.79Å; S372-C376 PolarHBondContact O-N 2.89Å; S373-C376 CarbonylContact O-C 3.51Å; S373-C376 WeakPolarHBondContact O-CA 3.27Å; S373-C376 WeakPolarHBondContact O-CB 3.42Å; S373-C376 PolarHBondContact O-N 3.01Å; R374-C376 VanDerWaalsContact C-N 3.35Å; R374-C376 PolarHBondContact O-N 3.41Å; C376-C380 PolarHBondContact O-N 3.47Å; C376-C380 VanDerWaalsContact O-N 3.08Å; C376-C380 PolarHBondContact O-SG 3.08Å
377	D	89.9	Confident	90.9	Very high	41 Å²	41	31 Å²	31	22%	0.219	16%	0.157	C	C	.	.	H	α-helix	trans	-69.7	-42.4	-179.6	-70.2	-49	0	0	0	111.9	K346 S373 R374 C380 Q381	K346-D377 IonicContact NZ-OD1 3.27Å; K346-D377 PolarHBondContact NZ-OD1 3.34Å; S373-D377 PolarHBondContact O-N 3.47Å; S373-D377 VanDerWaalsContact O-OD2 3.14Å; R374-D377 PolarHBondContact O-N 3.37Å; D377-C380 CarbonylContact O-C 3.49Å; D377-C380 WeakPolarHBondContact O-CA 3.27Å; D377-C380 WeakPolarHBondContact O-CB 3.4Å; D377-C380 PolarHBondContact O-N 3.33Å; D377-C380 VanDerWaalsContact O-N 3.07Å; D377-Q381 WeakPolarHBondContact O-CG 3.43Å; D377-Q381 PolarHBondContact O-N 2.84Å
378	S	91.4	Very high	90.6	Very high	2 Å²	2	31 Å²	31	1%	0.014	16%	0.162	C	C	.	.	H	α-helix	trans	-65.8	-37	174.2	-71.9	0	0	0	0	113.1	R374 C380 Q381 L382 D431 T434	R374-S378 PolarHBondContact O-N 2.86Å; R374-S378 PolarHBondContact O-OG 2.81Å; S378-C380 VanDerWaalsContact C-N 3.29Å; S378-C380 PolarHBondContact O-N 3.04Å; S378-Q381 PolarHBondContact O-N 3.3Å; S378-L382 WeakPolarHBondContact O-CB 3.49Å; S378-L382 WeakPolarHBondContact O-CD1 3.36Å; S378-L382 WeakPolarHBondContact O-CG 3.35Å; S378-L382 PolarHBondContact O-N 3.3Å; S378-D431 WeakPolarHBondContact OG-CB 3.43Å; S378-T434 PolarHBondContact OG-OG1 2.92Å
379	F	93.3	Very high	90.4	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-58.1	-41.3	167.7	173.3	-95	0	0	0	111.9	F301 V313 V315 L322 I354 M368 F370 K375 L383	F301-F379 HydrophobicContact CD1-CB 4.32Å; F301-F379 HydrophobicContact CD2-CB 4.27Å; F301-F379 AromaticContact CD2-CD2 3.7Å; F301-F379 HydrophobicContact CD2-CD2 3.7Å; F301-F379 HydrophobicContact CD2-CG 4.47Å; F301-F379 HydrophobicContact CE1-CB 4.18Å; F301-F379 HydrophobicContact CE2-CB 4.12Å; F301-F379 HydrophobicContact CE2-CD2 4.02Å; F301-F379 HydrophobicContact CG-CB 4.38Å; F301-F379 HydrophobicContact CG-CD2 4.23Å; F301-F379 HydrophobicContact CZ-CB 4.08Å; V313-F379 HydrophobicContact CG1-CE2 3.84Å; V313-F379 HydrophobicContact CG1-CZ 4.27Å; V315-F379 HydrophobicContact CG2-CD2 3.51Å; V315-F379 HydrophobicContact CG2-CE2 3.57Å; L322-F379 HydrophobicContact CD1-CZ 4.34Å; L322-F379 HydrophobicContact CD2-CE2 3.8Å; L322-F379 HydrophobicContact CD2-CZ 4Å; I354-F379 HydrophobicContact CD1-CD1 3.86Å; I354-F379 HydrophobicContact CD1-CE1 3.56Å; M368-F379 HydrophobicContact SD-CE1 4.45Å; M368-F379 HydrophobicContact SD-CZ 4.47Å; F370-F379 HydrophobicContact CE1-CB 3.65Å; F370-F379 HydrophobicContact CE1-CD1 4.08Å; F370-F379 AromaticContact CE1-CD2 3.98Å; F370-F379 HydrophobicContact CE1-CD2 3.98Å; F370-F379 AromaticContact CE1-CG 3.64Å; F370-F379 HydrophobicContact CE1-CG 3.64Å; F370-F379 HydrophobicContact CE2-CD1 4.2Å; F370-F379 HydrophobicContact CZ-CB 3.83Å; F370-F379 AromaticContact CZ-CD1 3.39Å; F370-F379 HydrophobicContact CZ-CD1 3.39Å; F370-F379 AromaticContact CZ-CD2 4Å; F370-F379 HydrophobicContact CZ-CD2 4Å; F370-F379 AromaticContact CZ-CE1 3.86Å; F370-F379 HydrophobicContact CZ-CE1 3.86Å; F370-F379 HydrophobicContact CZ-CE2 4.4Å; F370-F379 AromaticContact CZ-CG 3.46Å; F370-F379 HydrophobicContact CZ-CG 3.46Å; F370-F379 VanDerWaalsContact CZ-CG 3.46Å; F370-F379 HydrophobicContact CZ-CZ 4.33Å; K375-F379 WeakPolarHBondContact O-CB 3.44Å; K375-F379 PolarHBondContact O-N 2.85Å; F379-L383 HydrophobicContact CD1-CD1 3.95Å; F379-L383 HydrophobicContact CE1-CD1 3.31Å; F379-L383 HydrophobicContact CE1-CG 4.21Å; F379-L383 HydrophobicContact CE2-CD1 4.36Å; F379-L383 HydrophobicContact CZ-CD1 3.57Å; F379-L383 HydrophobicContact CZ-CG 4.24Å; F379-L383 WeakPolarHBondContact O-CB 3.45Å; F379-L383 WeakPolarHBondContact O-CG 3.42Å; F379-L383 PolarHBondContact O-N 3.07Å
380	C	91.2	Very high	90	Very high	3 Å²	3	36.8 Å²	36.8	2%	0.02	18%	0.18	C	C	.	.	H	α-helix	trans	-68.3	-38.1	175.6	-65.2	0	0	0	0	113.3	K346 C376 D377 S378 L383 L384 F862	K346-C380 WeakPolarHBondContact CE-SG 3.16Å; C376-C380 PolarHBondContact O-N 3.47Å; C376-C380 VanDerWaalsContact O-N 3.08Å; C376-C380 PolarHBondContact O-SG 3.08Å; D377-C380 CarbonylContact O-C 3.49Å; D377-C380 WeakPolarHBondContact O-CA 3.27Å; D377-C380 WeakPolarHBondContact O-CB 3.4Å; D377-C380 PolarHBondContact O-N 3.33Å; D377-C380 VanDerWaalsContact O-N 3.07Å; S378-C380 VanDerWaalsContact C-N 3.29Å; S378-C380 PolarHBondContact O-N 3.04Å; C380-L383 PolarHBondContact O-N 3.43Å; C380-L384 WeakPolarHBondContact O-CG 3.42Å; C380-L384 PolarHBondContact O-N 3.46Å; C380-F862 HydrophobicContact CB-CE1 3.73Å; C380-F862 HydrophobicContact CB-CZ 3.71Å
381	Q	90.3	Very high	89.2	Confident	31 Å²	31	38.1 Å²	38.1	15%	0.145	19%	0.191	C	C	.	.	H	α-helix	trans	-62.4	-46.6	174.1	-71.3	172.4	-2.6	0	0	111.3	D377 S378 L383 L384 L385 T434	D377-Q381 WeakPolarHBondContact O-CG 3.43Å; D377-Q381 PolarHBondContact O-N 2.84Å; S378-Q381 PolarHBondContact O-N 3.3Å; Q381-L383 VanDerWaalsContact C-N 3.31Å; Q381-L383 PolarHBondContact O-N 2.94Å; Q381-L384 WeakPolarHBondContact O-CB 3.38Å; Q381-L384 PolarHBondContact O-N 2.87Å; Q381-L384 VanDerWaalsContact O-N 3.16Å; Q381-L385 PolarHBondContact O-N 2.83Å; Q381-T434 HydrophobicContact CB-CG2 4.21Å; Q381-T434 VanDerWaalsContact OE1-CB 3.29Å; Q381-T434 PolarHBondContact OE1-OG1 3.17Å
382	L	91.9	Very high	88.3	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-64.2	-34.6	177	-69.9	161.6	0	0	0	112.1	H299 F301 V315 V317 S378 L385 M386 T434 L437	H299-L382 HydrophobicContact CB-CD1 3.62Å; F301-L382 HydrophobicContact CE2-CD1 3.86Å; F301-L382 HydrophobicContact CZ-CD1 3.71Å; V315-L382 HydrophobicContact CB-CB 4.3Å; V315-L382 HydrophobicContact CG1-CB 4.06Å; V315-L382 HydrophobicContact CG2-CB 4.35Å; V317-L382 HydrophobicContact CG2-CD2 4.11Å; S378-L382 WeakPolarHBondContact O-CB 3.49Å; S378-L382 WeakPolarHBondContact O-CD1 3.36Å; S378-L382 WeakPolarHBondContact O-CG 3.35Å; S378-L382 PolarHBondContact O-N 3.3Å; L382-L385 PolarHBondContact O-N 2.86Å; L382-M386 VanDerWaalsContact O-CB 3.23Å; L382-M386 WeakPolarHBondContact O-CB 3.42Å; L382-M386 PolarHBondContact O-N 2.67Å; L382-T434 HydrophobicContact CD1-CG2 4.04Å; L382-T434 HydrophobicContact CD2-CG2 4.15Å; L382-T434 HydrophobicContact CG-CG2 3.73Å; L382-L437 HydrophobicContact CD2-CD1 4.19Å
383	L	90.2	Very high	87.4	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-68.2	-35.5	172.2	-81	-176.6	0	0	0	113.6	V315 L322 I341 I344 F379 C380 Q381 M386 K387	V315-L383 HydrophobicContact CG1-CD2 4.14Å; L322-L383 HydrophobicContact CD1-CD2 4.18Å; L322-L383 HydrophobicContact CD2-CD2 3.81Å; L322-L383 HydrophobicContact CG-CD2 3.97Å; I341-L383 HydrophobicContact CD1-CD2 3.99Å; I344-L383 HydrophobicContact CD1-CD1 3.48Å; I344-L383 VanDerWaalsContact CD1-CD1 3.48Å; F379-L383 HydrophobicContact CD1-CD1 3.95Å; F379-L383 HydrophobicContact CE1-CD1 3.31Å; F379-L383 HydrophobicContact CE1-CG 4.21Å; F379-L383 HydrophobicContact CE2-CD1 4.36Å; F379-L383 HydrophobicContact CZ-CD1 3.57Å; F379-L383 HydrophobicContact CZ-CG 4.24Å; F379-L383 WeakPolarHBondContact O-CB 3.45Å; F379-L383 WeakPolarHBondContact O-CG 3.42Å; F379-L383 PolarHBondContact O-N 3.07Å; C380-L383 PolarHBondContact O-N 3.43Å; Q381-L383 VanDerWaalsContact C-N 3.31Å; Q381-L383 PolarHBondContact O-N 2.94Å; L383-M386 HydrophobicContact CD2-CE 3.26Å; L383-M386 HydrophobicContact CD2-SD 4.31Å; L383-K387 WeakPolarHBondContact O-CB 3.43Å; L383-K387 PolarHBondContact O-N 2.91Å
384	L	88.7	Confident	86.7	Confident	8 Å²	8	48 Å²	48	4%	0.042	23%	0.232	C	C	.	.	H	α-helix	trans	-65.8	-46.7	172.1	-76.2	163	0	0	0	110.9	C380 Q381 M386 K387 S388 M398 Q701 I858 F862	C380-L384 WeakPolarHBondContact O-CG 3.42Å; C380-L384 PolarHBondContact O-N 3.46Å; Q381-L384 WeakPolarHBondContact O-CB 3.38Å; Q381-L384 PolarHBondContact O-N 2.87Å; Q381-L384 VanDerWaalsContact O-N 3.16Å; L384-M386 PolarHBondContact O-N 3.31Å; L384-K387 PolarHBondContact O-N 2.91Å; L384-S388 WeakPolarHBondContact O-CB 3.07Å; L384-S388 PolarHBondContact O-N 2.83Å; L384-M398 HydrophobicContact CB-CE 4.14Å; L384-M398 HydrophobicContact CD1-CE 4.21Å; L384-M398 HydrophobicContact CD2-CE 4.32Å; L384-M398 HydrophobicContact CG-CE 4.46Å; L384-Q701 VanDerWaalsContact CD1-OE1 3.32Å; L384-I858 HydrophobicContact CD2-CG2 3.95Å; L384-F862 HydrophobicContact CD1-CE2 3.9Å; L384-F862 HydrophobicContact CD1-CZ 4.48Å; L384-F862 HydrophobicContact CD2-CD2 4.11Å; L384-F862 HydrophobicContact CD2-CE2 3.63Å; L384-F862 HydrophobicContact CG-CD2 4.45Å; L384-F862 HydrophobicContact CG-CE2 3.61Å; L384-F862 HydrophobicContact CG-CZ 4.31Å
385	L	88.4	Confident	86.5	Confident	56 Å²	56	45.7 Å²	45.7	29%	0.293	23%	0.226	S	C	.	.	H	α-helix	trans	-59.7	-44.7	176.1	-177.5	63.4	0	0	0	111.7	V317 Q381 L382 S388 R389 L437	V317-L385 HydrophobicContact CG1-CB 4.5Å; V317-L385 HydrophobicContact CG1-CD2 3.92Å; V317-L385 HydrophobicContact CG1-CG 3.8Å; Q381-L385 PolarHBondContact O-N 2.83Å; L382-L385 PolarHBondContact O-N 2.86Å; L385-S388 PolarHBondContact O-N 3.35Å; L385-R389 WeakPolarHBondContact O-CB 3.48Å; L385-R389 PolarHBondContact O-N 3.48Å; L385-L437 HydrophobicContact CD2-CD1 4.11Å; L385-L437 HydrophobicContact CD2-CD2 3.88Å
386	M	90.3	Very high	86.4	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-62.4	-44.8	175.6	-176	-173.3	73.9	0	0	112.1	V315 V317 H338 I341 L382 L383 L384 H390	V315-M386 HydrophobicContact CG1-CB 4.37Å; V315-M386 HydrophobicContact CG1-SD 3.89Å; V317-M386 HydrophobicContact CG1-CB 4.49Å; H338-M386 HydrophobicContact CB-CE 3.72Å; H338-M386 HydrophobicContact CB-CG 4.39Å; H338-M386 HydrophobicContact CB-SD 4.49Å; I341-M386 HydrophobicContact CD1-CE 3.84Å; L382-M386 VanDerWaalsContact O-CB 3.23Å; L382-M386 WeakPolarHBondContact O-CB 3.42Å; L382-M386 PolarHBondContact O-N 2.67Å; L383-M386 HydrophobicContact CD2-CE 3.26Å; L383-M386 HydrophobicContact CD2-SD 4.31Å; L384-M386 PolarHBondContact O-N 3.31Å; M386-H390 PolarHBondContact O-CD2 3.02Å; M386-H390 VanDerWaalsContact O-CD2 3.24Å; M386-H390 PolarHBondContact O-N 2.83Å
387	K	87	Confident	86.2	Confident	35 Å²	35	43.3 Å²	43.3	15%	0.152	22%	0.218	C	C	.	.	H	α-helix	trans	-68.6	-34.7	176.2	-75.6	-171.3	82.5	90.6	0	112.2	H338 I341 L383 L384 S391 I858 L861	H338-K387 HydrophobicContact CB-CG 4.26Å; H338-K387 PolarHBondContact O-NZ 2.64Å; I341-K387 PolarHBondContact O-NZ 2.92Å; L383-K387 WeakPolarHBondContact O-CB 3.43Å; L383-K387 PolarHBondContact O-N 2.91Å; L384-K387 PolarHBondContact O-N 2.91Å; K387-S391 WeakPolarHBondContact O-CA 3.22Å; K387-S391 VanDerWaalsContact O-CB 3.27Å; K387-S391 WeakPolarHBondContact O-CB 3.24Å; K387-S391 PolarHBondContact O-N 3.44Å; K387-I858 HydrophobicContact CB-CG2 4.11Å; K387-L861 HydrophobicContact CD-CD1 4.05Å; K387-L861 HydrophobicContact CD-CD2 3.65Å; K387-L861 HydrophobicContact CD-CG 4.36Å
388	S	85.4	Confident	86.3	Confident	43 Å²	43	42.7 Å²	42.7	30%	0.301	21%	0.214	S	C	.	.	H	α-helix	trans	-64.3	-55.4	176.2	-170.3	0	0	0	0	111.4	L384 L385 H390 S391	L384-S388 WeakPolarHBondContact O-CB 3.07Å; L384-S388 PolarHBondContact O-N 2.83Å; L385-S388 PolarHBondContact O-N 3.35Å; S388-H390 PolarHBondContact O-N 2.87Å; S388-S391 WeakPolarHBondContact O-CB 3.35Å; S388-S391 PolarHBondContact O-N 2.96Å; S388-S391 PolarHBondContact O-OG 2.99Å
389	R	86.1	Confident	86.5	Confident	124 Å²	124	42.7 Å²	42.7	47%	0.468	21%	0.214	S	C	.	.	H	α-helix	trans	-56.3	-26.2	179.4	179.7	168.7	-66.4	167	10.6	114.1	D318 L385	D318-R389 IonicContact OD1-CZ 3.02Å; D318-R389 IonicContact OD1-NH1 3.95Å; D318-R389 PolarHBondContact OD1-NH1 2.89Å; L385-R389 WeakPolarHBondContact O-CB 3.48Å; L385-R389 PolarHBondContact O-N 3.48Å
390	H	86.1	Confident	86.6	Confident	45 Å²	45	43.8 Å²	43.8	21%	0.208	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.2	7.2	-178.6	-68.6	-100.2	0	0	0	114.2	V317 D318 G320 H338 M386 S388 Q392	V317-H390 PolarHBondContact O-NE2 2.95Å; D318-H390 PolarHBondContact O-CE1 3.21Å; D318-H390 PolarHBondContact O-NE2 3.38Å; D318-H390 VanDerWaalsContact O-NE2 3.13Å; G320-H390 WeakPolarHBondContact CA-NE2 3.37Å; G320-H390 PolarHBondContact N-CE1 2.76Å; G320-H390 PolarHBondContact N-NE2 3.15Å; H338-H390 VanDerWaalsContact CE1-CB 3.5Å; H338-H390 WeakPolarHBondContact CE1-CB 3.32Å; H338-H390 AromaticContact ND1-CG 3.97Å; M386-H390 PolarHBondContact O-CD2 3.02Å; M386-H390 VanDerWaalsContact O-CD2 3.24Å; M386-H390 PolarHBondContact O-N 2.83Å; S388-H390 PolarHBondContact O-N 2.87Å; H390-Q392 VanDerWaalsContact C-N 3.27Å; H390-Q392 PolarHBondContact O-N 3.32Å
391	S	76.3	Confident	87	Confident	40 Å²	40	43.6 Å²	43.6	28%	0.28	22%	0.22	S	C	.	.	S	Bend	trans	-69.9	-17.1	-172.3	60.3	0	0	0	0	115.4	K387 S388 L393	K387-S391 WeakPolarHBondContact O-CA 3.22Å; K387-S391 VanDerWaalsContact O-CB 3.27Å; K387-S391 WeakPolarHBondContact O-CB 3.24Å; K387-S391 PolarHBondContact O-N 3.44Å; S388-S391 WeakPolarHBondContact O-CB 3.35Å; S388-S391 PolarHBondContact O-N 2.96Å; S388-S391 PolarHBondContact O-OG 2.99Å; S391-L393 PolarHBondContact O-N 3.13Å; S391-L393 PolarHBondContact OG-N 3.04Å
392	Q	73.3	Confident	87.4	Confident	194 Å²	194	42.1 Å²	42.1	91%	0.907	21%	0.213	S	C	*	.			trans	56.6	25	-170.1	-54.8	-174.8	3.1	0	0	113.8	H390	H390-Q392 VanDerWaalsContact C-N 3.27Å; H390-Q392 PolarHBondContact O-N 3.32Å
393	L	73.1	Confident	87.7	Confident	67 Å²	67	42.2 Å²	42.2	35%	0.351	21%	0.214	S	C	.	.			trans	-93.3	131.4	172.9	-62.6	170	0	0	0	109.6	S391 E395 R855 I858	S391-L393 PolarHBondContact O-N 3.13Å; S391-L393 PolarHBondContact OG-N 3.04Å; L393-E395 PolarHBondContact O-N 3.37Å; L393-R855 VanDerWaalsContact CD1-NH1 3.32Å; L393-I858 HydrophobicContact CD1-CD1 4.16Å
394	D	76.3	Confident	88.1	Confident	151 Å²	151	42.2 Å²	42.2	81%	0.807	21%	0.214	S	C	*	.	S	Bend	trans	-68	-25.5	173.9	-58.7	-55.7	0	0	0	112.2	R496	D394-R496 PolarHBondContact O-NH2 2.8Å
395	E	84.9	Confident	88.6	Confident	48 Å²	48	41.8 Å²	41.8	22%	0.224	21%	0.212	C	C	.	.	S	Bend	trans	-121.3	136.1	-176	-70.9	-57.5	133	0	0	112.2	L393 R496 N526	L393-E395 PolarHBondContact O-N 3.37Å; E395-R496 IonicContact OE1-CZ 3.75Å; E395-R496 IonicContact OE1-NE 3.66Å; E395-R496 PolarHBondContact OE1-NE 2.91Å; E395-R496 IonicContact OE1-NH2 3.97Å; E395-R496 PolarHBondContact OE1-NH2 3.35Å; E395-R496 IonicContact OE2-CZ 3.18Å; E395-R496 IonicContact OE2-NE 2.72Å; E395-R496 PolarHBondContact OE2-NE 3.23Å; E395-R496 IonicContact OE2-NH2 3.26Å; E395-R496 PolarHBondContact OE2-NH2 3.14Å; E395-N526 PolarHBondContact OE2-ND2 3.01Å
396	P	88.6	Confident	89.1	Confident	21 Å²	21	39.1 Å²	39.1	14%	0.136	20%	0.198	C	C	.	.			trans	-72	141.3	179.1	30.1	-34.3	0	0	0	111.5	F525 V704	P396-F525 HydrophobicContact CG-CE1 4.15Å; P396-F525 HydrophobicContact CG-CZ 4.41Å; P396-V704 VanDerWaalsContact O-CG2 3.27Å; P396-V704 WeakPolarHBondContact O-CG2 3.49Å
397	D	88.5	Confident	89.5	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.199	C	C	.	.	S	Bend	trans	-82.7	-17.5	168.6	-71.9	-15.6	0	0	0	112.9	G703 V704 R855 K857 I858 Y859	D397-G703 CarbonylContact O-C 3.52Å; D397-G703 WeakPolarHBondContact O-CA 3.46Å; D397-V704 PolarHBondContact O-N 3.31Å; D397-R855 IonicContact OD1-CZ 2.74Å; D397-R855 IonicContact OD1-NH1 3.42Å; D397-R855 PolarHBondContact OD1-NH1 2.95Å; D397-R855 IonicContact OD1-NH2 3.39Å; D397-R855 PolarHBondContact OD1-NH2 3.13Å; D397-R855 IonicContact OD2-NH1 3.53Å; D397-K857 VanDerWaalsContact OD2-CA 3.29Å; D397-K857 WeakPolarHBondContact OD2-CA 3.3Å; D397-I858 HydrophobicContact CB-CD1 4.28Å; D397-I858 PolarHBondContact OD2-N 3.44Å; D397-Y859 HydrophobicContact CB-CE1 4.42Å; D397-Y859 WeakPolarHBondContact O-CE1 3.29Å
398	M	91.2	Very high	90.1	Very high	28 Å²	28	37.7 Å²	37.7	14%	0.138	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	139.1	-167.2	-168.6	-174.5	74.1	0	0	110.2	L384 Q701 V702 Y859	L384-M398 HydrophobicContact CB-CE 4.14Å; L384-M398 HydrophobicContact CD1-CE 4.21Å; L384-M398 HydrophobicContact CD2-CE 4.32Å; L384-M398 HydrophobicContact CG-CE 4.46Å; M398-Q701 HydrophobicContact CE-CB 4.46Å; M398-Q701 HydrophobicContact CE-CG 4.24Å; M398-Q701 HydrophobicContact CG-CB 4.49Å; M398-Q701 HydrophobicContact SD-CB 3.97Å; M398-Q701 HydrophobicContact SD-CG 4.38Å; M398-V702 CarbonylContact C-O 3.55Å; M398-V702 VanDerWaalsContact CA-O 3.25Å; M398-V702 WeakPolarHBondContact CA-O 3.47Å; M398-V702 WeakPolarHBondContact CG-O 3.49Å; M398-Y859 HydrophobicContact CB-CD1 4.23Å; M398-Y859 HydrophobicContact CG-CD1 4.46Å; M398-Y859 HydrophobicContact SD-CD1 4.45Å
399	V	94.8	Very high	90.5	Very high	1 Å²	1	36 Å²	36	1%	0.006	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	155.8	175.4	-62.7	0	0	0	0	110.9	V401 D440 I441 F525 F530 V702 V704	V399-V401 HydrophobicContact CG2-CG2 4.12Å; V399-D440 WeakPolarHBondContact CA-OD2 3.4Å; V399-D440 HydrophobicContact CB-CB 4.15Å; V399-I441 HydrophobicContact CG2-CD1 4.41Å; V399-F525 HydrophobicContact CG1-CE1 3.86Å; V399-F525 HydrophobicContact CG1-CE2 4.27Å; V399-F525 HydrophobicContact CG1-CZ 3.65Å; V399-F530 HydrophobicContact CG2-CZ 4.21Å; V399-V702 HydrophobicContact CG2-CB 4.27Å; V399-V702 PolarHBondContact N-O 2.99Å; V399-V702 PolarHBondContact O-N 2.84Å; V399-V704 HydrophobicContact CG1-CG1 4.42Å; V399-V704 HydrophobicContact CG1-CG2 4.25Å; V399-V704 HydrophobicContact CG2-CG1 3.86Å
400	S	96.5	Very high	90.9	Very high	23 Å²	23	32.2 Å²	32.2	16%	0.161	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	124.5	171.8	-165.9	0	0	0	0	110.7	H439 D440 I441 F700	S400-H439 PolarHBondContact OG-ND1 3.38Å; S400-D440 PolarHBondContact N-OD2 2.82Å; S400-D440 PolarHBondContact O-N 2.85Å; S400-I441 PolarHBondContact O-N 3.38Å; S400-F700 CarbonylContact C-O 3.55Å; S400-F700 WeakPolarHBondContact CA-O 3.32Å
401	V	98.7	Very high	91.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	122.1	-177.5	-175.2	0	0	0	0	109.6	V399 V403 I441 F530 F532 F578 T699 F700 V702	V399-V401 HydrophobicContact CG2-CG2 4.12Å; V401-V403 HydrophobicContact CG1-CG2 4.29Å; V401-I441 HydrophobicContact CG1-CB 4.33Å; V401-I441 HydrophobicContact CG1-CG2 4.2Å; V401-I441 HydrophobicContact CG2-CB 4.35Å; V401-I441 HydrophobicContact CG2-CD1 4.2Å; V401-F530 HydrophobicContact CG2-CE1 4.06Å; V401-F532 HydrophobicContact CG1-CE1 3.82Å; V401-F532 HydrophobicContact CG1-CZ 3.85Å; V401-F578 HydrophobicContact CG1-CE2 4.38Å; V401-F578 HydrophobicContact CG1-CZ 4.49Å; V401-T699 CarbonylContact O-C 3.58Å; V401-T699 WeakPolarHBondContact O-CA 3.49Å; V401-F700 HydrophobicContact CB-CB 4.5Å; V401-F700 PolarHBondContact N-O 2.79Å; V401-F700 PolarHBondContact O-N 3.19Å; V401-V702 HydrophobicContact CB-CG2 4.35Å; V401-V702 HydrophobicContact CG2-CB 4.37Å; V401-V702 HydrophobicContact CG2-CG2 3.78Å
402	F	98.8	Very high	91.9	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	136.2	166.7	175.6	-84	0	0	0	110.2	W420 H439 I441 Y442 A443 L444 F697 T699	F402-W420 WeakPolarHBondContact CE2-O 3.28Å; F402-W420 WeakPolarHBondContact CZ-O 3.35Å; F402-H439 HydrophobicContact CB-CB 4.21Å; F402-I441 PolarHBondContact N-O 2.69Å; F402-Y442 HydrophobicContact CB-CD1 3.54Å; F402-Y442 HydrophobicContact CB-CE1 4.02Å; F402-Y442 HydrophobicContact CB-CG 4.06Å; F402-Y442 AromaticContact CD1-CD1 3.68Å; F402-Y442 HydrophobicContact CD1-CD1 3.68Å; F402-Y442 HydrophobicContact CD1-CG 4.38Å; F402-Y442 HydrophobicContact CD2-CD1 4.31Å; F402-Y442 HydrophobicContact CD2-CE1 4.48Å; F402-Y442 HydrophobicContact CE1-CD1 4.48Å; F402-Y442 AromaticContact CG-CD1 3.59Å; F402-Y442 HydrophobicContact CG-CD1 3.59Å; F402-Y442 HydrophobicContact CG-CE1 4.13Å; F402-Y442 HydrophobicContact CG-CG 4.44Å; F402-A443 PolarHBondContact O-N 2.94Å; F402-L444 HydrophobicContact CE1-CD2 4.42Å; F402-L444 HydrophobicContact CE1-CG 4.18Å; F402-F697 HydrophobicContact CE2-CB 3.75Å; F402-F697 HydrophobicContact CZ-CB 3.96Å; F402-T699 HydrophobicContact CB-CG2 4.42Å; F402-T699 HydrophobicContact CD2-CG2 3.92Å
403	V	98.9	Very high	92.9	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.012	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	128.5	168.2	-175.6	0	0	0	0	108.4	V401 A443 F532 F578 C580 I667 F697 A698 F700	V401-V403 HydrophobicContact CG1-CG2 4.29Å; V403-A443 CarbonylContact C-O 3.5Å; V403-A443 WeakPolarHBondContact CA-O 3.33Å; V403-F532 HydrophobicContact CG2-CD1 4.36Å; V403-F532 HydrophobicContact CG2-CE1 4.05Å; V403-F578 HydrophobicContact CG2-CB 4.22Å; V403-F578 HydrophobicContact CG2-CD1 3.95Å; V403-F578 HydrophobicContact CG2-CG 4.04Å; V403-C580 HydrophobicContact CG1-CB 4.02Å; V403-I667 HydrophobicContact CB-CD1 4.34Å; V403-I667 HydrophobicContact CB-CG2 4.11Å; V403-I667 HydrophobicContact CG1-CD1 4.16Å; V403-I667 HydrophobicContact CG1-CG1 4.41Å; V403-I667 HydrophobicContact CG1-CG2 3.79Å; V403-I667 VanDerWaalsContact O-CD1 3.23Å; V403-I667 WeakPolarHBondContact O-CD1 3.42Å; V403-F697 CarbonylContact O-C 3.44Å; V403-A698 PolarHBondContact N-O 2.77Å; V403-A698 PolarHBondContact O-N 2.95Å; V403-F700 HydrophobicContact CB-CE2 4.33Å; V403-F700 HydrophobicContact CG2-CD2 4.27Å; V403-F700 HydrophobicContact CG2-CE2 3.97Å
404	G	98.9	Very high	93.9	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	146.8	174	0	0	0	0	0	111.8	A443 G445 V696	G404-A443 PolarHBondContact N-O 3.17Å; G404-G445 PolarHBondContact O-N 2.99Å; G404-V696 WeakPolarHBondContact CA-O 3.35Å
405	T	98.9	Very high	94.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	139.7	164.4	-177.9	0	0	0	0	111	G445 Q447 C580 G581 D665 I667 V696	T405-G445 WeakPolarHBondContact CA-O 3.29Å; T405-Q447 PolarHBondContact OG1-NE2 3.02Å; T405-C580 HydrophobicContact CG2-CB 4.28Å; T405-G581 VanDerWaalsContact OG1-CA 3.27Å; T405-G581 WeakPolarHBondContact OG1-CA 3.24Å; T405-G581 PolarHBondContact OG1-N 3.47Å; T405-D665 HydrophobicContact CG2-CB 4.29Å; T405-I667 HydrophobicContact CG2-CD1 4.43Å; T405-I667 HydrophobicContact CG2-CG1 3.95Å; T405-V696 HydrophobicContact CG2-CB 3.9Å; T405-V696 HydrophobicContact CG2-CG1 4.29Å; T405-V696 PolarHBondContact N-O 2.89Å; T405-V696 PolarHBondContact O-N 2.82Å
406	W	98.8	Very high	94.7	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	120.8	174.9	-178.5	32.7	0	0	0	112.6	M408 P413 L417 W420 G445 T446 Q447 I688 H693 P695	W406-M408 HydrophobicContact CD2-CG 3.69Å; W406-M408 HydrophobicContact CE3-CG 3.57Å; W406-M408 HydrophobicContact CE3-SD 4.22Å; W406-M408 HydrophobicContact CG-CG 4.31Å; W406-M408 HydrophobicContact CH2-CG 4.18Å; W406-M408 HydrophobicContact CZ2-CG 4.28Å; W406-M408 HydrophobicContact CZ3-CE 4.14Å; W406-M408 HydrophobicContact CZ3-CG 3.84Å; W406-M408 HydrophobicContact CZ3-SD 4.31Å; W406-M408 PolarHBondContact O-N 3.14Å; W406-P413 HydrophobicContact CH2-CB 4.13Å; W406-P413 HydrophobicContact CZ3-CB 3.99Å; W406-L417 HydrophobicContact CH2-CD2 4.45Å; W406-L417 HydrophobicContact CZ3-CD2 3.87Å; W406-W420 HydrophobicContact CB-CH2 4.08Å; W406-W420 HydrophobicContact CB-CZ2 3.85Å; W406-W420 HydrophobicContact CE3-CZ3 4.5Å; W406-G445 PolarHBondContact N-O 3.07Å; W406-G445 VanDerWaalsContact N-O 3.16Å; W406-T446 VanDerWaalsContact O-CA 3.24Å; W406-T446 WeakPolarHBondContact O-CA 3.49Å; W406-Q447 PolarHBondContact O-N 2.95Å; W406-Q447 PolarHBondContact O-OE1 3.37Å; W406-I688 HydrophobicContact CH2-CG2 3.72Å; W406-I688 HydrophobicContact CZ2-CG2 3.52Å; W406-I688 HydrophobicContact CZ3-CG2 4.5Å; W406-H693 PolarHBondContact NE1-O 3.32Å; W406-P695 HydrophobicContact CB-CB 4.01Å; W406-P695 HydrophobicContact CB-CG 4.42Å; W406-P695 HydrophobicContact CD2-CB 4.26Å; W406-P695 HydrophobicContact CD2-CG 3.71Å; W406-P695 HydrophobicContact CE3-CG 4.3Å; W406-P695 HydrophobicContact CG-CB 3.86Å; W406-P695 HydrophobicContact CG-CG 3.74Å; W406-P695 HydrophobicContact CZ2-CG 4.42Å
407	N	98.7	Very high	95.1	Very high	4 Å²	4	28.8 Å²	28.8	2%	0.021	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	113.9	165.1	-174.6	-22.4	0	0	0	109.1	G409 Q447 E448 D582 S691 H693	N407-G409 VanDerWaalsContact C-N 3.3Å; N407-G409 PolarHBondContact O-N 3.47Å; N407-G409 PolarHBondContact OD1-N 2.89Å; N407-Q447 CarbonylContact C-O 3.48Å; N407-Q447 WeakPolarHBondContact CA-O 3.36Å; N407-Q447 HydrophobicContact CB-CB 4.23Å; N407-Q447 PolarHBondContact OD1-O 2.71Å; N407-E448 WeakPolarHBondContact OD1-CB 3.48Å; N407-D582 HydrophobicContact CB-CB 4.31Å; N407-D582 PolarHBondContact ND2-OD2 3.25Å; N407-S691 VanDerWaalsContact O-CB 3.32Å; N407-S691 WeakPolarHBondContact O-CB 3.28Å; N407-S691 PolarHBondContact O-OG 2.95Å; N407-H693 HydrophobicContact CB-CB 4.17Å; N407-H693 PolarHBondContact ND2-NE2 2.67Å
408	M	98.4	Very high	95.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.178	C	C	.	.			trans	-83.3	-4.7	-176	-64.9	172.4	68.8	0	0	113.2	W406 G410 S411 P413 T446 Q447 N449 W456	W406-M408 HydrophobicContact CD2-CG 3.69Å; W406-M408 HydrophobicContact CE3-CG 3.57Å; W406-M408 HydrophobicContact CE3-SD 4.22Å; W406-M408 HydrophobicContact CG-CG 4.31Å; W406-M408 HydrophobicContact CH2-CG 4.18Å; W406-M408 HydrophobicContact CZ2-CG 4.28Å; W406-M408 HydrophobicContact CZ3-CE 4.14Å; W406-M408 HydrophobicContact CZ3-CG 3.84Å; W406-M408 HydrophobicContact CZ3-SD 4.31Å; W406-M408 PolarHBondContact O-N 3.14Å; M408-G410 PolarHBondContact O-N 3.26Å; M408-G410 VanDerWaalsContact O-N 3.16Å; M408-S411 PolarHBondContact O-N 2.98Å; M408-P413 HydrophobicContact CE-CB 4.1Å; M408-P413 HydrophobicContact CE-CG 4.17Å; M408-T446 HydrophobicContact CG-CG2 4.41Å; M408-T446 HydrophobicContact SD-CG2 3.75Å; M408-Q447 PolarHBondContact N-O 3.19Å; M408-N449 HydrophobicContact SD-CB 3.58Å; M408-N449 VanDerWaalsContact SD-CB 3.58Å; M408-N449 PolarHBondContact SD-ND2 3.32Å; M408-N449 VanDerWaalsContact SD-ND2 3.45Å; M408-W456 HydrophobicContact CE-CZ3 4.04Å; M408-W456 HydrophobicContact SD-CH2 4.34Å; M408-W456 HydrophobicContact SD-CZ3 4.12Å
409	G	95	Very high	95.6	Very high	9 Å²	9	31.6 Å²	31.6	9%	0.093	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	59	27.7	174.6	0	0	0	0	0	114.6	N407 S411 R640	N407-G409 VanDerWaalsContact C-N 3.3Å; N407-G409 PolarHBondContact O-N 3.47Å; N407-G409 PolarHBondContact OD1-N 2.89Å; G409-S411 PolarHBondContact O-N 3Å; G409-R640 PolarHBondContact O-NH1 3.37Å; G409-R640 PolarHBondContact O-NH2 3.32Å
410	G	93.7	Very high	95.8	Very high	43 Å²	43	31.5 Å²	31.5	44%	0.443	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.8	9	-175.4	0	0	0	0	0	115	M408 E448	M408-G410 PolarHBondContact O-N 3.26Å; M408-G410 VanDerWaalsContact O-N 3.16Å; G410-E448 VanDerWaalsContact CA-O 3.25Å; G410-E448 WeakPolarHBondContact CA-O 3.42Å; G410-E448 PolarHBondContact N-O 3.47Å
411	S	91.5	Very high	95.8	Very high	30 Å²	30	30.4 Å²	30.4	21%	0.21	17%	0.167	C	C	.	.			trans	-106.9	147.9	179.4	-75.2	0	0	0	0	112.5	M408 G409 R640 T690	M408-S411 PolarHBondContact O-N 2.98Å; G409-S411 PolarHBondContact O-N 3Å; S411-R640 PolarHBondContact OG-NH1 3.17Å; S411-T690 WeakPolarHBondContact CB-O 3.38Å
412	P	92.1	Very high	95.6	Very high	82 Å²	82	30.7 Å²	30.7	53%	0.532	17%	0.168	S	C	.	.	P	Polyproline II helix	trans	-64.7	156	176.8	27.9	-35	0	0	0	111.3	T690	P412-T690 WeakPolarHBondContact O-CB 3.48Å; P412-T690 PolarHBondContact O-OG1 2.86Å
413	P	94.8	Very high	95.5	Very high	18 Å²	18	30.8 Å²	30.8	12%	0.117	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-72.1	158.8	176.8	32.3	-36.4	0	0	0	111.9	W406 M408 L417 Q451 W456	W406-P413 HydrophobicContact CH2-CB 4.13Å; W406-P413 HydrophobicContact CZ3-CB 3.99Å; M408-P413 HydrophobicContact CE-CB 4.1Å; M408-P413 HydrophobicContact CE-CG 4.17Å; P413-L417 HydrophobicContact CB-CD1 4.28Å; P413-L417 HydrophobicContact CB-CD2 4.13Å; P413-Q451 VanDerWaalsContact CG-OE1 3.23Å; P413-W456 HydrophobicContact CG-CZ3 4.49Å
414	P	94.3	Very high	95.4	Very high	34 Å²	34	33.2 Å²	33.2	22%	0.221	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-63.4	163.5	164.6	28.6	-33.6	0	0	0	111.5	T416 L417 Q459 I688 T690	P414-T416 WeakPolarHBondContact CG-O 3.43Å; P414-T416 PolarHBondContact O-N 2.73Å; P414-L417 HydrophobicContact CG-CD2 4.05Å; P414-Q459 PolarHBondContact O-NE2 2.97Å; P414-I688 HydrophobicContact CG-CG1 4.07Å; P414-I688 HydrophobicContact CG-CG2 4.01Å; P414-T690 HydrophobicContact CB-CG2 4.44Å
415	R	88.6	Confident	95.2	Very high	256 Å²	256	34.4 Å²	34.4	97%	0.966	20%	0.198	S	C	*	.	S	Bend	trans	-62.2	-25.7	-178	-68	-172.7	178	-153.8	-0.1	114.3
416	T	89.9	Confident	95.1	Very high	74 Å²	74	35.8 Å²	35.8	45%	0.454	21%	0.205	S	C	.	.			trans	-121.5	138	174.1	-179.5	0	0	0	0	109.6	P414 Q418	P414-T416 WeakPolarHBondContact CG-O 3.43Å; P414-T416 PolarHBondContact O-N 2.73Å; T416-Q418 WeakPolarHBondContact OG1-CB 3.39Å; T416-Q418 PolarHBondContact OG1-N 3.31Å
417	L	96	Very high	94.9	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	22%	0.216	C	C	.	.			trans	-116.3	18	171.3	-64.4	170.6	0	0	0	110.7	W406 P413 P414 S419 W420 V421 W456 I460 T463 I688	W406-L417 HydrophobicContact CH2-CD2 4.45Å; W406-L417 HydrophobicContact CZ3-CD2 3.87Å; P413-L417 HydrophobicContact CB-CD1 4.28Å; P413-L417 HydrophobicContact CB-CD2 4.13Å; P414-L417 HydrophobicContact CG-CD2 4.05Å; L417-S419 PolarHBondContact O-N 3.45Å; L417-W420 PolarHBondContact O-N 3.09Å; L417-V421 PolarHBondContact O-N 3.48Å; L417-W456 HydrophobicContact CD1-CH2 3.99Å; L417-W456 HydrophobicContact CD1-CZ3 3.94Å; L417-I460 HydrophobicContact CD1-CD1 3.7Å; L417-T463 HydrophobicContact CB-CG2 4.07Å; L417-I688 HydrophobicContact CD2-CD1 3.98Å
418	Q	95.1	Very high	94.7	Very high	76 Å²	76	40 Å²	40	36%	0.355	23%	0.23	S	C	.	.	H	α-helix	trans	-59	-42.2	-171.2	-176.2	177.8	-6.9	0	0	112.7	T416 W420 V421 T422 Y467	T416-Q418 WeakPolarHBondContact OG1-CB 3.39Å; T416-Q418 PolarHBondContact OG1-N 3.31Å; Q418-W420 VanDerWaalsContact C-N 3.3Å; Q418-W420 PolarHBondContact O-N 3.36Å; Q418-V421 WeakPolarHBondContact O-CG2 3.2Å; Q418-V421 PolarHBondContact O-N 2.89Å; Q418-T422 HydrophobicContact CG-CG2 4.09Å; Q418-T422 WeakPolarHBondContact O-CB 3.23Å; Q418-T422 WeakPolarHBondContact O-CG2 3.42Å; Q418-T422 PolarHBondContact O-N 2.88Å; Q418-T422 PolarHBondContact O-OG1 3.34Å; Q418-Y467 HydrophobicContact CG-CD1 4.45Å
419	S	95.8	Very high	94.6	Very high	11 Å²	11	40.4 Å²	40.4	8%	0.077	23%	0.233	C	C	.	.	H	α-helix	trans	-57.3	-42.8	178.5	54.8	0	0	0	0	112.3	L417 T422 C423 C424 D687	L417-S419 PolarHBondContact O-N 3.45Å; S419-T422 PolarHBondContact O-N 2.94Å; S419-T422 PolarHBondContact O-OG1 3.47Å; S419-C423 PolarHBondContact O-N 2.83Å; S419-C423 VanDerWaalsContact O-N 3.07Å; S419-C424 PolarHBondContact O-N 3.42Å; S419-D687 VanDerWaalsContact CB-OD1 3.27Å; S419-D687 WeakPolarHBondContact CB-OD1 3.11Å; S419-D687 WeakPolarHBondContact CB-OD2 3.25Å; S419-D687 PolarHBondContact OG-OD1 3.47Å; S419-D687 PolarHBondContact OG-OD2 3.4Å
420	W	98	Very high	94.4	Very high	0 Å²	0	41 Å²	41	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-63.9	-48.7	179.4	-173.8	36	0	0	0	111.8	F402 W406 L417 Q418 T422 C423 L444 T446 W456 T685 I688 P695 V696	F402-W420 WeakPolarHBondContact CE2-O 3.28Å; F402-W420 WeakPolarHBondContact CZ-O 3.35Å; W406-W420 HydrophobicContact CB-CH2 4.08Å; W406-W420 HydrophobicContact CB-CZ2 3.85Å; W406-W420 HydrophobicContact CE3-CZ3 4.5Å; L417-W420 PolarHBondContact O-N 3.09Å; Q418-W420 VanDerWaalsContact C-N 3.3Å; Q418-W420 PolarHBondContact O-N 3.36Å; W420-T422 VanDerWaalsContact C-N 3.34Å; W420-T422 PolarHBondContact O-N 3.24Å; W420-C423 PolarHBondContact O-N 3.18Å; W420-L444 HydrophobicContact CE3-CD2 4.16Å; W420-L444 HydrophobicContact CH2-CB 4.22Å; W420-L444 HydrophobicContact CH2-CD2 4.09Å; W420-L444 HydrophobicContact CZ3-CD2 3.71Å; W420-T446 HydrophobicContact CH2-CG2 4.14Å; W420-W456 HydrophobicContact CH2-CH2 4.35Å; W420-W456 HydrophobicContact CH2-CZ2 4.18Å; W420-W456 AromaticContact CZ3-CH2 3.76Å; W420-W456 HydrophobicContact CZ3-CH2 3.76Å; W420-W456 AromaticContact CZ3-CZ2 3.86Å; W420-W456 HydrophobicContact CZ3-CZ2 3.86Å; W420-T685 HydrophobicContact CB-CG2 3.88Å; W420-T685 HydrophobicContact CG-CG2 4.47Å; W420-I688 HydrophobicContact CB-CD1 4.12Å; W420-P695 HydrophobicContact CB-CB 4.37Å; W420-P695 VanDerWaalsContact CD1-CB 3.49Å; W420-P695 HydrophobicContact CD2-CB 3.99Å; W420-P695 HydrophobicContact CG-CB 3.73Å; W420-V696 PolarHBondContact NE1-O 2.81Å
421	V	96.3	Very high	94.3	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-77.5	-14.7	-178.4	-62.9	0	0	0	0	114.4	L417 Q418 Y442 L444 T463 L464 Y467	L417-V421 PolarHBondContact O-N 3.48Å; Q418-V421 WeakPolarHBondContact O-CG2 3.2Å; Q418-V421 PolarHBondContact O-N 2.89Å; V421-Y442 HydrophobicContact CB-CE1 4.44Å; V421-L444 HydrophobicContact CG1-CD2 4.07Å; V421-T463 HydrophobicContact CG2-CG2 3.91Å; V421-L464 HydrophobicContact CB-CD2 4.17Å; V421-L464 HydrophobicContact CG1-CD2 4.22Å; V421-L464 HydrophobicContact CG2-CD2 4.42Å; V421-Y467 HydrophobicContact CB-CE1 4.29Å; V421-Y467 HydrophobicContact CG2-CD1 4.25Å; V421-Y467 HydrophobicContact CG2-CE1 3.42Å; V421-Y467 VanDerWaalsContact CG2-CE1 3.42Å; V421-Y467 PolarHBondContact O-OH 2.86Å
422	T	95.6	Very high	94	Very high	5 Å²	5	47.1 Å²	47.1	3%	0.031	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	7.3	171.9	57.5	0	0	0	0	113.3	Q418 S419 W420 C424 A435 L436 Y467	Q418-T422 HydrophobicContact CG-CG2 4.09Å; Q418-T422 WeakPolarHBondContact O-CB 3.23Å; Q418-T422 WeakPolarHBondContact O-CG2 3.42Å; Q418-T422 PolarHBondContact O-N 2.88Å; Q418-T422 PolarHBondContact O-OG1 3.34Å; S419-T422 PolarHBondContact O-N 2.94Å; S419-T422 PolarHBondContact O-OG1 3.47Å; W420-T422 VanDerWaalsContact C-N 3.34Å; W420-T422 PolarHBondContact O-N 3.24Å; T422-C424 VanDerWaalsContact C-N 3.28Å; T422-C424 PolarHBondContact O-N 3.46Å; T422-C424 PolarHBondContact OG1-SG 3.38Å; T422-A435 WeakPolarHBondContact CB-O 3.19Å; T422-L436 HydrophobicContact CG2-CD2 4.22Å; T422-Y467 HydrophobicContact CG2-CD1 4.48Å; T422-Y467 HydrophobicContact CG2-CD2 3.84Å; T422-Y467 HydrophobicContact CG2-CE1 4.32Å; T422-Y467 HydrophobicContact CG2-CE2 3.63Å; T422-Y467 HydrophobicContact CG2-CG 4.26Å
423	C	96.9	Very high	93.6	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.014	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	32.7	-179.7	-58.7	0	0	0	0	114.8	S419 W420 T429 P430 A681 F697 T699	S419-C423 PolarHBondContact O-N 2.83Å; S419-C423 VanDerWaalsContact O-N 3.07Å; W420-C423 PolarHBondContact O-N 3.18Å; C423-T429 WeakPolarHBondContact O-CB 3.3Å; C423-T429 WeakPolarHBondContact O-CG2 3.44Å; C423-P430 HydrophobicContact CB-CG 4.03Å; C423-P430 WeakPolarHBondContact O-CD 3.48Å; C423-A681 HydrophobicContact CB-CB 4.16Å; C423-F697 VanDerWaalsContact C-CZ 3.46Å; C423-F697 HydrophobicContact CB-CD2 3.45Å; C423-F697 VanDerWaalsContact CB-CD2 3.45Å; C423-F697 HydrophobicContact CB-CE2 3.58Å; C423-F697 HydrophobicContact CB-CG 4.02Å; C423-F697 HydrophobicContact CB-CZ 4.21Å; C423-F697 WeakPolarHBondContact O-CE2 3.39Å; C423-F697 VanDerWaalsContact O-CZ 3.23Å; C423-F697 WeakPolarHBondContact O-CZ 3.22Å; C423-F697 VanDerWaalsContact SG-CD2 3.57Å; C423-T699 WeakPolarHBondContact SG-CG2 3.12Å
424	C	95.1	Very high	93.4	Very high	53 Å²	53	43.8 Å²	43.8	36%	0.358	23%	0.228	S	C	.	.			trans	-82.9	144.5	177.1	-66.1	0	0	0	0	112	S419 T422 F697	S419-C424 PolarHBondContact O-N 3.42Å; T422-C424 VanDerWaalsContact C-N 3.28Å; T422-C424 PolarHBondContact O-N 3.46Å; T422-C424 PolarHBondContact OG1-SG 3.38Å; C424-F697 WeakPolarHBondContact O-CE1 3.25Å
425	G	95.4	Very high	93	Very high	26 Å²	26	42.9 Å²	42.9	27%	0.268	22%	0.224	S	C	.	.	S	Bend	trans	126.2	-135.8	178	0	0	0	0	0	113.1	T429 D686	G425-T429 WeakPolarHBondContact O-CG2 3.17Å; G425-D686 WeakPolarHBondContact CA-OD1 3.37Å
426	L	96.5	Very high	92.9	Very high	29 Å²	29	34.9 Å²	34.9	15%	0.152	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	150.3	-170.8	-57.2	178.4	0	0	0	112.6	F632 P633 G683 C684 D686	L426-F632 HydrophobicContact CB-CB 4.19Å; L426-P633 HydrophobicContact CD1-CG 3.61Å; L426-G683 CarbonylContact O-C 3.53Å; L426-G683 WeakPolarHBondContact O-CA 3.38Å; L426-C684 PolarHBondContact N-O 3.02Å; L426-C684 PolarHBondContact O-N 3.46Å; L426-D686 HydrophobicContact CD1-CB 4.11Å; L426-D686 WeakPolarHBondContact CD2-OD2 3.43Å; L426-D686 HydrophobicContact CG-CB 4.02Å; L426-D686 WeakPolarHBondContact CG-OD2 3.42Å
427	G	95.6	Very high	92.9	Very high	21 Å²	21	33.8 Å²	33.8	22%	0.216	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	103.5	-149.8	178.8	0	0	0	0	0	113.6	T429	G427-T429 PolarHBondContact O-N 3.19Å; G427-T429 VanDerWaalsContact O-N 3.15Å
428	H	94.6	Very high	92.8	Very high	70 Å²	70	36.2 Å²	36.2	32%	0.324	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	90	173.1	-174.3	52.8	0	0	0	109	A681 Y682	H428-A681 CarbonylContact O-C 3.57Å; H428-A681 WeakPolarHBondContact O-CA 3.07Å; H428-A681 WeakPolarHBondContact O-CB 3.38Å; H428-Y682 PolarHBondContact N-O 2.95Å; H428-Y682 PolarHBondContact O-N 2.54Å
429	T	94.8	Very high	92.9	Very high	9 Å²	9	33.8 Å²	33.8	6%	0.055	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-102.9	151.4	178.8	55.2	0	0	0	0	112.2	R374 C423 G425 G427 F697	R374-T429 VanDerWaalsContact CZ-O 3.29Å; R374-T429 VanDerWaalsContact CZ-OG1 3.32Å; R374-T429 PolarHBondContact NE-O 2.91Å; R374-T429 VanDerWaalsContact NE-O 3.1Å; R374-T429 PolarHBondContact NH1-OG1 3.13Å; R374-T429 PolarHBondContact NH2-O 3.06Å; R374-T429 PolarHBondContact NH2-OG1 2.9Å; C423-T429 WeakPolarHBondContact O-CB 3.3Å; C423-T429 WeakPolarHBondContact O-CG2 3.44Å; G425-T429 WeakPolarHBondContact O-CG2 3.17Å; G427-T429 PolarHBondContact O-N 3.19Å; G427-T429 VanDerWaalsContact O-N 3.15Å; T429-F697 HydrophobicContact CG2-CE2 3.91Å; T429-F697 HydrophobicContact CG2-CZ 3.63Å
430	P	91.7	Very high	92.9	Very high	21 Å²	21	34.7 Å²	34.7	14%	0.136	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-61.8	166.7	176.3	26	-35.1	0	0	0	112.9	R374 C423 A435	R374-P430 PolarHBondContact NH1-O 3.3Å; C423-P430 HydrophobicContact CB-CG 4.03Å; C423-P430 WeakPolarHBondContact O-CD 3.48Å; P430-A435 HydrophobicContact CB-CB 4.27Å; P430-A435 HydrophobicContact CG-CB 3.8Å
431	D	91	Very high	93	Very high	20 Å²	20	34.7 Å²	34.7	11%	0.107	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-74.7	156.9	167.6	-162	-105.4	0	0	0	111.1	R374 K375 S378 S433 T434 A435	R374-D431 HydrophobicContact CG-CB 3.91Å; K375-D431 VanDerWaalsContact CG-OD2 3.3Å; K375-D431 WeakPolarHBondContact CG-OD2 3.17Å; S378-D431 WeakPolarHBondContact OG-CB 3.43Å; D431-S433 PolarHBondContact O-N 3.42Å; D431-S433 VanDerWaalsContact O-N 3.12Å; D431-S433 WeakPolarHBondContact OD1-CB 3.47Å; D431-S433 PolarHBondContact OD1-N 2.86Å; D431-S433 PolarHBondContact OD1-OG 2.81Å; D431-T434 PolarHBondContact O-N 2.9Å; D431-A435 WeakPolarHBondContact O-CB 3.38Å; D431-A435 PolarHBondContact O-N 3.39Å
432	E	86.2	Confident	93.1	Very high	183 Å²	183	34.7 Å²	34.7	86%	0.855	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53	-32.3	171	-65.2	167.4	-163.9	0	0	111.9	T434	E432-T434 VanDerWaalsContact C-N 3.29Å; E432-T434 PolarHBondContact O-N 3.27Å
433	S	84.4	Confident	93.3	Very high	20 Å²	20	34.5 Å²	34.5	14%	0.14	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-10.3	175.9	59.9	0	0	0	0	115.7	D431	D431-S433 PolarHBondContact O-N 3.42Å; D431-S433 VanDerWaalsContact O-N 3.12Å; D431-S433 WeakPolarHBondContact OD1-CB 3.47Å; D431-S433 PolarHBondContact OD1-N 2.86Å; D431-S433 PolarHBondContact OD1-OG 2.81Å
434	T	88.6	Confident	93.3	Very high	9 Å²	9	34.4 Å²	34.4	6%	0.055	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.5	-10.7	176.5	59.1	0	0	0	0	115.9	S378 Q381 L382 D431 E432 L436 L437	S378-T434 PolarHBondContact OG-OG1 2.92Å; Q381-T434 HydrophobicContact CB-CG2 4.21Å; Q381-T434 VanDerWaalsContact OE1-CB 3.29Å; Q381-T434 PolarHBondContact OE1-OG1 3.17Å; L382-T434 HydrophobicContact CD1-CG2 4.04Å; L382-T434 HydrophobicContact CD2-CG2 4.15Å; L382-T434 HydrophobicContact CG-CG2 3.73Å; D431-T434 PolarHBondContact O-N 2.9Å; E432-T434 VanDerWaalsContact C-N 3.29Å; E432-T434 PolarHBondContact O-N 3.27Å; T434-L436 PolarHBondContact O-N 2.91Å; T434-L436 VanDerWaalsContact O-N 3.14Å; T434-L437 HydrophobicContact CG2-CD1 3.78Å; T434-L437 WeakPolarHBondContact O-CB 3.41Å; T434-L437 PolarHBondContact O-N 2.92Å
435	A	86.4	Confident	93.5	Very high	16 Å²	16	31.9 Å²	31.9	13%	0.132	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-22.2	-179.4	0	0	0	0	0	115.1	T422 P430 D431	T422-A435 WeakPolarHBondContact CB-O 3.19Å; P430-A435 HydrophobicContact CB-CB 4.27Å; P430-A435 HydrophobicContact CG-CB 3.8Å; D431-A435 WeakPolarHBondContact O-CB 3.38Å; D431-A435 PolarHBondContact O-N 3.39Å
436	L	87.9	Confident	93.7	Very high	88 Å²	88	30.7 Å²	30.7	46%	0.461	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	5.2	177.7	-62.2	179	0	0	0	113.9	T422 T434	T422-L436 HydrophobicContact CG2-CD2 4.22Å; T434-L436 PolarHBondContact O-N 2.91Å; T434-L436 VanDerWaalsContact O-N 3.14Å
437	L	89.6	Confident	93.8	Very high	50 Å²	50	29.3 Å²	29.3	26%	0.262	16%	0.16	S	C	.	.	S	Bend	trans	-73.3	130.7	174	-65.9	178.7	0	0	0	109.9	L382 L385 T434	L382-L437 HydrophobicContact CD2-CD1 4.19Å; L385-L437 HydrophobicContact CD2-CD1 4.11Å; L385-L437 HydrophobicContact CD2-CD2 3.88Å; T434-L437 HydrophobicContact CG2-CD1 3.78Å; T434-L437 WeakPolarHBondContact O-CB 3.41Å; T434-L437 PolarHBondContact O-N 2.92Å
438	P	93.7	Very high	93.8	Very high	52 Å²	52	31 Å²	31	34%	0.338	16%	0.162	S	C	.	.	P	Polyproline II helix	trans	-67	140.8	174.2	28.4	-33.9	0	0	0	110.8	T468 I470 F472	P438-T468 HydrophobicContact CB-CG2 3.85Å; P438-I470 HydrophobicContact CB-CD1 4.06Å; P438-I470 HydrophobicContact CG-CD1 4.05Å; P438-F472 HydrophobicContact CB-CZ 4.41Å
439	H	96	Very high	93.9	Very high	24 Å²	24	27.7 Å²	27.7	11%	0.111	15%	0.148	C	C	.	.	P	Polyproline II helix	trans	-82.1	157.8	162.9	-53.2	-62	0	0	0	110.9	S400 F402 Y442 T699	S400-H439 PolarHBondContact OG-ND1 3.38Å; F402-H439 HydrophobicContact CB-CB 4.21Å; H439-Y442 HydrophobicContact CB-CD2 4.42Å; H439-Y442 HydrophobicContact CB-CE1 4.18Å; H439-Y442 HydrophobicContact CB-CE2 3.85Å; H439-Y442 AromaticContact CD2-CE1 3.66Å; H439-Y442 AromaticContact CD2-CZ 3.83Å; H439-Y442 PolarHBondContact N-OH 3.08Å; H439-Y442 VanDerWaalsContact O-CE2 3.22Å; H439-Y442 WeakPolarHBondContact O-CE2 3.4Å; H439-T699 VanDerWaalsContact CE1-CG2 3.47Å; H439-T699 WeakPolarHBondContact CE1-CG2 3.45Å; H439-T699 WeakPolarHBondContact NE2-CG2 3.42Å
440	D	97.4	Very high	93.9	Very high	31 Å²	31	30.2 Å²	30.2	17%	0.166	16%	0.164	C	C	.	.	S	Bend	trans	-83.9	-30.8	-176.6	-56.4	-47.4	0	0	0	111.7	V399 S400 V489 N490 H493	V399-D440 WeakPolarHBondContact CA-OD2 3.4Å; V399-D440 HydrophobicContact CB-CB 4.15Å; S400-D440 PolarHBondContact N-OD2 2.82Å; S400-D440 PolarHBondContact O-N 2.85Å; D440-V489 WeakPolarHBondContact O-CA 3.3Å; D440-V489 WeakPolarHBondContact O-CG2 3.43Å; D440-N490 PolarHBondContact O-N 3.31Å; D440-H493 IonicContact OD1-NE2 3.93Å
441	I	98.8	Very high	94.1	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	135.4	177.5	-63.7	160.4	0	0	0	108.9	V399 S400 V401 F402 V487 F488 V489 F523 F525 F532	V399-I441 HydrophobicContact CG2-CD1 4.41Å; S400-I441 PolarHBondContact O-N 3.38Å; V401-I441 HydrophobicContact CG1-CB 4.33Å; V401-I441 HydrophobicContact CG1-CG2 4.2Å; V401-I441 HydrophobicContact CG2-CB 4.35Å; V401-I441 HydrophobicContact CG2-CD1 4.2Å; F402-I441 PolarHBondContact N-O 2.69Å; I441-V487 HydrophobicContact CG2-CG1 4.07Å; I441-F488 CarbonylContact C-O 3.43Å; I441-F488 WeakPolarHBondContact CA-O 3.22Å; I441-V489 HydrophobicContact CG1-CG2 4.15Å; I441-F523 HydrophobicContact CD1-CE2 4.25Å; I441-F523 HydrophobicContact CD1-CZ 4.05Å; I441-F523 HydrophobicContact CG2-CZ 4.29Å; I441-F525 HydrophobicContact CD1-CD2 4.15Å; I441-F525 HydrophobicContact CD1-CE2 4.46Å; I441-F532 HydrophobicContact CG2-CZ 4.13Å
442	Y	98.9	Very high	94.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	118.8	170.4	-63.9	-105.7	0	0	0	110.5	F402 V421 H439 L464 Y467 F472 V487 F488	F402-Y442 HydrophobicContact CB-CD1 3.54Å; F402-Y442 HydrophobicContact CB-CE1 4.02Å; F402-Y442 HydrophobicContact CB-CG 4.06Å; F402-Y442 AromaticContact CD1-CD1 3.68Å; F402-Y442 HydrophobicContact CD1-CD1 3.68Å; F402-Y442 HydrophobicContact CD1-CG 4.38Å; F402-Y442 HydrophobicContact CD2-CD1 4.31Å; F402-Y442 HydrophobicContact CD2-CE1 4.48Å; F402-Y442 HydrophobicContact CE1-CD1 4.48Å; F402-Y442 AromaticContact CG-CD1 3.59Å; F402-Y442 HydrophobicContact CG-CD1 3.59Å; F402-Y442 HydrophobicContact CG-CE1 4.13Å; F402-Y442 HydrophobicContact CG-CG 4.44Å; V421-Y442 HydrophobicContact CB-CE1 4.44Å; H439-Y442 HydrophobicContact CB-CD2 4.42Å; H439-Y442 HydrophobicContact CB-CE1 4.18Å; H439-Y442 HydrophobicContact CB-CE2 3.85Å; H439-Y442 AromaticContact CD2-CE1 3.66Å; H439-Y442 AromaticContact CD2-CZ 3.83Å; H439-Y442 PolarHBondContact N-OH 3.08Å; H439-Y442 VanDerWaalsContact O-CE2 3.22Å; H439-Y442 WeakPolarHBondContact O-CE2 3.4Å; Y442-L464 HydrophobicContact CD1-CD2 3.76Å; Y442-L464 HydrophobicContact CD2-CD1 4.2Å; Y442-L464 HydrophobicContact CD2-CD2 4.23Å; Y442-L464 HydrophobicContact CE1-CD2 3.59Å; Y442-L464 HydrophobicContact CE2-CD2 4.07Å; Y442-L464 HydrophobicContact CG-CD1 4.3Å; Y442-L464 HydrophobicContact CG-CD2 4.1Å; Y442-Y467 PolarHBondContact OH-OH 2.98Å; Y442-F472 HydrophobicContact CD2-CD1 4.14Å; Y442-F472 AromaticContact CD2-CE1 3.76Å; Y442-F472 HydrophobicContact CD2-CE1 3.76Å; Y442-F472 HydrophobicContact CD2-CZ 4.24Å; Y442-F472 HydrophobicContact CE2-CD1 4.22Å; Y442-F472 AromaticContact CE2-CE1 3.49Å; Y442-F472 HydrophobicContact CE2-CE1 3.49Å; Y442-F472 VanDerWaalsContact CE2-CE1 3.49Å; Y442-F472 HydrophobicContact CE2-CE2 4.23Å; Y442-F472 AromaticContact CE2-CZ 3.51Å; Y442-F472 HydrophobicContact CE2-CZ 3.51Å; Y442-V487 CarbonylContact O-C 3.56Å; Y442-V487 WeakPolarHBondContact O-CA 3.36Å; Y442-F488 PolarHBondContact N-O 3.1Å; Y442-F488 PolarHBondContact O-N 3.47Å
443	A	98.9	Very high	94.6	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.008	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	114.2	171.5	0	0	0	0	0	110.2	F402 V403 G404 L485 V487 F532	F402-A443 PolarHBondContact O-N 2.94Å; V403-A443 CarbonylContact C-O 3.5Å; V403-A443 WeakPolarHBondContact CA-O 3.33Å; G404-A443 PolarHBondContact N-O 3.17Å; A443-L485 HydrophobicContact CB-CD1 4.36Å; A443-V487 HydrophobicContact CB-CG1 4.44Å; A443-V487 HydrophobicContact CB-CG2 4.01Å; A443-F532 HydrophobicContact CB-CD1 3.36Å; A443-F532 HydrophobicContact CB-CE1 3.61Å; A443-F532 HydrophobicContact CB-CG 3.95Å; A443-F532 HydrophobicContact CB-CZ 4.36Å
444	L	98.8	Very high	95.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	104.8	-176.8	-57.5	92.4	0	0	0	110.6	F402 W420 V421 I460 L485 A486 F488	F402-L444 HydrophobicContact CE1-CD2 4.42Å; F402-L444 HydrophobicContact CE1-CG 4.18Å; W420-L444 HydrophobicContact CE3-CD2 4.16Å; W420-L444 HydrophobicContact CH2-CB 4.22Å; W420-L444 HydrophobicContact CH2-CD2 4.09Å; W420-L444 HydrophobicContact CZ3-CD2 3.71Å; V421-L444 HydrophobicContact CG1-CD2 4.07Å; L444-I460 HydrophobicContact CD1-CG2 3.95Å; L444-I460 HydrophobicContact CD2-CD1 3.75Å; L444-I460 HydrophobicContact CD2-CG1 4.15Å; L444-I460 HydrophobicContact CD2-CG2 4Å; L444-L485 WeakPolarHBondContact O-CA 3.26Å; L444-A486 PolarHBondContact N-O 3.37Å; L444-A486 PolarHBondContact O-N 3.42Å; L444-F488 HydrophobicContact CD1-CD2 3.77Å; L444-F488 HydrophobicContact CD1-CE2 3.96Å
445	G	98.8	Very high	95.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	138.9	168.5	0	0	0	0	0	111.6	G404 T405 W406 R484 N534	G404-G445 PolarHBondContact O-N 2.99Å; T405-G445 WeakPolarHBondContact CA-O 3.29Å; W406-G445 PolarHBondContact N-O 3.07Å; W406-G445 VanDerWaalsContact N-O 3.16Å; G445-R484 CarbonylContact C-O 3.46Å; G445-R484 WeakPolarHBondContact CA-O 3.36Å; G445-N534 WeakPolarHBondContact CA-ND2 3.46Å
446	T	98.8	Very high	96	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	154	167.9	50.4	0	0	0	0	111.4	W406 M408 W420 N449 W456 M483 R484 N534	W406-T446 VanDerWaalsContact O-CA 3.24Å; W406-T446 WeakPolarHBondContact O-CA 3.49Å; M408-T446 HydrophobicContact CG-CG2 4.41Å; M408-T446 HydrophobicContact SD-CG2 3.75Å; W420-T446 HydrophobicContact CH2-CG2 4.14Å; T446-N449 PolarHBondContact OG1-ND2 3.12Å; T446-W456 HydrophobicContact CG2-CH2 3.67Å; T446-W456 HydrophobicContact CG2-CZ2 3.33Å; T446-M483 WeakPolarHBondContact O-CA 3.37Å; T446-R484 PolarHBondContact N-O 3.19Å; T446-R484 PolarHBondContact O-N 2.74Å; T446-N534 PolarHBondContact N-ND2 3.44Å; T446-N534 VanDerWaalsContact N-ND2 3.18Å; T446-N534 PolarHBondContact O-ND2 3.41Å
447	Q	98.5	Very high	96.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	151.9	173.4	-45.8	78.6	35.3	0	0	109.2	T405 W406 N407 M408 N449 N482 N534 H536 D582	T405-Q447 PolarHBondContact OG1-NE2 3.02Å; W406-Q447 PolarHBondContact O-N 2.95Å; W406-Q447 PolarHBondContact O-OE1 3.37Å; N407-Q447 CarbonylContact C-O 3.48Å; N407-Q447 WeakPolarHBondContact CA-O 3.36Å; N407-Q447 HydrophobicContact CB-CB 4.23Å; N407-Q447 PolarHBondContact OD1-O 2.71Å; M408-Q447 PolarHBondContact N-O 3.19Å; Q447-N449 PolarHBondContact O-N 3.39Å; Q447-N482 CarbonylContact C-O 3.54Å; Q447-N534 PolarHBondContact NE2-OD1 3.15Å; Q447-H536 HydrophobicContact CB-CB 4.24Å; Q447-H536 HydrophobicContact CG-CB 3.97Å; Q447-D582 HydrophobicContact CB-CB 4.46Å; Q447-D582 HydrophobicContact CG-CB 4Å
448	E	96.7	Very high	96.8	Very high	56 Å²	56	36.5 Å²	36.5	26%	0.262	18%	0.183	S	C	.	.	S	Bend	trans	48.2	31.7	-171.5	-48.5	-160.3	164.5	0	0	114.1	N407 G410 P450 N482 H536	N407-E448 WeakPolarHBondContact OD1-CB 3.48Å; G410-E448 VanDerWaalsContact CA-O 3.25Å; G410-E448 WeakPolarHBondContact CA-O 3.42Å; G410-E448 PolarHBondContact N-O 3.47Å; E448-P450 WeakPolarHBondContact O-CD 3.43Å; E448-N482 CarbonylContact C-O 3.57Å; E448-N482 WeakPolarHBondContact CA-O 3.4Å; E448-N482 PolarHBondContact N-O 2.75Å; E448-H536 IonicContact OE1-CE1 3.43Å; E448-H536 PolarHBondContact OE1-CE1 2.54Å
449	N	96.8	Very high	96.9	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.011	18%	0.176	C	C	.	.			trans	-70.9	117.7	176.2	-173.9	-26.9	0	0	0	109.8	M408 T446 Q447 Q451 N482 R484	M408-N449 HydrophobicContact SD-CB 3.58Å; M408-N449 VanDerWaalsContact SD-CB 3.58Å; M408-N449 PolarHBondContact SD-ND2 3.32Å; M408-N449 VanDerWaalsContact SD-ND2 3.45Å; T446-N449 PolarHBondContact OG1-ND2 3.12Å; Q447-N449 PolarHBondContact O-N 3.39Å; N449-Q451 WeakPolarHBondContact OD1-CB 3.17Å; N449-Q451 PolarHBondContact OD1-N 3.06Å; N449-N482 PolarHBondContact N-O 2.85Å; N449-N482 WeakPolarHBondContact O-CB 3.28Å; N449-R484 PolarHBondContact ND2-NH1 2.95Å; N449-R484 PolarHBondContact OD1-NH1 3.19Å
450	P	94.8	Very high	97	Very high	62 Å²	62	34.7 Å²	34.7	40%	0.403	17%	0.171	S	C	.	.			trans	-84.2	-11.5	-178.6	34.7	-35.6	0	0	0	113.8	E448	E448-P450 WeakPolarHBondContact O-CD 3.43Å
451	Q	94.7	Very high	97	Very high	13 Å²	13	35.6 Å²	35.6	6%	0.061	17%	0.173	C	C	.	.	S	Bend	trans	-82.2	158.9	-174.1	-64.8	179.4	-70.2	0	0	112.4	P413 N449 E455 W456 R484	P413-Q451 VanDerWaalsContact CG-OE1 3.23Å; N449-Q451 WeakPolarHBondContact OD1-CB 3.17Å; N449-Q451 PolarHBondContact OD1-N 3.06Å; Q451-E455 WeakPolarHBondContact CA-OE2 3.39Å; Q451-E455 HydrophobicContact CB-CB 4.36Å; Q451-E455 HydrophobicContact CB-CG 4.29Å; Q451-E455 VanDerWaalsContact CB-OE2 3.25Å; Q451-E455 WeakPolarHBondContact CB-OE2 3.1Å; Q451-E455 HydrophobicContact CG-CG 4.44Å; Q451-E455 WeakPolarHBondContact CG-OE1 3.35Å; Q451-E455 VanDerWaalsContact NE2-CD 3.33Å; Q451-E455 PolarHBondContact NE2-OE1 2.83Å; Q451-W456 VanDerWaalsContact OE1-CE3 3.3Å; Q451-R484 VanDerWaalsContact O-CZ 3.25Å; Q451-R484 PolarHBondContact O-NH1 2.84Å; Q451-R484 PolarHBondContact O-NH2 2.86Å
452	G	92.9	Very high	96.8	Very high	38 Å²	38	38.6 Å²	38.6	39%	0.392	20%	0.198	S	C	.	.			trans	-70	160.3	170.8	0	0	0	0	0	112.9	R454 E455 W456 R484	G452-R454 VanDerWaalsContact C-N 3.33Å; G452-R454 PolarHBondContact O-N 2.9Å; G452-E455 PolarHBondContact N-OE2 2.58Å; G452-E455 PolarHBondContact O-N 2.97Å; G452-W456 WeakPolarHBondContact O-CB 3.46Å; G452-W456 PolarHBondContact O-N 2.87Å; G452-R484 PolarHBondContact O-NH1 3.38Å
453	E	95.3	Very high	96.7	Very high	78 Å²	78	39 Å²	39	36%	0.364	20%	0.2	S	C	.	.	H	α-helix	trans	-59.1	-43.9	179.1	-57.6	-157.1	125.1	0	0	112.5	T457 S479	E453-T457 WeakPolarHBondContact O-CB 3.08Å; E453-T457 WeakPolarHBondContact O-CG2 3.49Å; E453-T457 PolarHBondContact O-N 2.84Å; E453-T457 PolarHBondContact O-OG1 3.01Å; E453-S479 WeakPolarHBondContact CG-OG 3.49Å; E453-S479 WeakPolarHBondContact OE1-CB 3.35Å; E453-S479 PolarHBondContact OE1-N 3.32Å; E453-S479 PolarHBondContact OE1-OG 2.82Å
454	R	95.9	Very high	96.6	Very high	205 Å²	205	38.9 Å²	38.9	77%	0.774	20%	0.2	S	C	*	.	H	α-helix	trans	-65.3	-43.6	178.3	-175.6	178.1	-179.7	179.9	0.2	112	G452 T457 E458	G452-R454 VanDerWaalsContact C-N 3.33Å; G452-R454 PolarHBondContact O-N 2.9Å; R454-T457 WeakPolarHBondContact CA-OG1 3.49Å; R454-T457 PolarHBondContact O-N 3.27Å; R454-T457 PolarHBondContact O-OG1 2.67Å; R454-E458 HydrophobicContact CG-CG 4.38Å; R454-E458 WeakPolarHBondContact O-CB 3.18Å; R454-E458 VanDerWaalsContact O-CG 3.31Å; R454-E458 WeakPolarHBondContact O-CG 3.39Å; R454-E458 PolarHBondContact O-N 3.45Å
455	E	96.4	Very high	96.4	Very high	105 Å²	105	45.5 Å²	45.5	49%	0.491	23%	0.225	S	C	.	.	H	α-helix	trans	-61.6	-49.9	178.4	-172.3	-166.3	168.5	0	0	110.9	Q451 G452 Q459	Q451-E455 WeakPolarHBondContact CA-OE2 3.39Å; Q451-E455 HydrophobicContact CB-CB 4.36Å; Q451-E455 HydrophobicContact CB-CG 4.29Å; Q451-E455 VanDerWaalsContact CB-OE2 3.25Å; Q451-E455 WeakPolarHBondContact CB-OE2 3.1Å; Q451-E455 HydrophobicContact CG-CG 4.44Å; Q451-E455 WeakPolarHBondContact CG-OE1 3.35Å; Q451-E455 VanDerWaalsContact NE2-CD 3.33Å; Q451-E455 PolarHBondContact NE2-OE1 2.83Å; G452-E455 PolarHBondContact N-OE2 2.58Å; G452-E455 PolarHBondContact O-N 2.97Å; E455-Q459 WeakPolarHBondContact O-CB 3.47Å; E455-Q459 PolarHBondContact O-N 2.78Å
456	W	96.5	Very high	96.2	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-60.1	-48.7	176.6	179	-111.7	0	0	0	112.4	M408 P413 L417 W420 T446 Q451 G452 Q459 I460	M408-W456 HydrophobicContact CE-CZ3 4.04Å; M408-W456 HydrophobicContact SD-CH2 4.34Å; M408-W456 HydrophobicContact SD-CZ3 4.12Å; P413-W456 HydrophobicContact CG-CZ3 4.49Å; L417-W456 HydrophobicContact CD1-CH2 3.99Å; L417-W456 HydrophobicContact CD1-CZ3 3.94Å; W420-W456 HydrophobicContact CH2-CH2 4.35Å; W420-W456 HydrophobicContact CH2-CZ2 4.18Å; W420-W456 AromaticContact CZ3-CH2 3.76Å; W420-W456 HydrophobicContact CZ3-CH2 3.76Å; W420-W456 AromaticContact CZ3-CZ2 3.86Å; W420-W456 HydrophobicContact CZ3-CZ2 3.86Å; T446-W456 HydrophobicContact CG2-CH2 3.67Å; T446-W456 HydrophobicContact CG2-CZ2 3.33Å; Q451-W456 VanDerWaalsContact OE1-CE3 3.3Å; G452-W456 WeakPolarHBondContact O-CB 3.46Å; G452-W456 PolarHBondContact O-N 2.87Å; W456-Q459 PolarHBondContact O-N 2.72Å; W456-I460 HydrophobicContact CD2-CG1 4.19Å; W456-I460 HydrophobicContact CH2-CD1 3.89Å; W456-I460 HydrophobicContact CH2-CG1 4.35Å; W456-I460 HydrophobicContact CZ2-CD1 3.8Å; W456-I460 HydrophobicContact CZ2-CG1 3.88Å; W456-I460 HydrophobicContact CZ3-CD1 4.34Å; W456-I460 WeakPolarHBondContact O-CG1 3.17Å; W456-I460 PolarHBondContact O-N 2.96Å
457	T	97.6	Very high	95.7	Very high	7 Å²	7	50.4 Å²	50.4	4%	0.043	25%	0.254	C	S	.	.	H	α-helix	trans	-68.1	-38	-176.5	48.4	0	0	0	0	112.8	E453 R454 K461 L474 V477 A486 F488	E453-T457 WeakPolarHBondContact O-CB 3.08Å; E453-T457 WeakPolarHBondContact O-CG2 3.49Å; E453-T457 PolarHBondContact O-N 2.84Å; E453-T457 PolarHBondContact O-OG1 3.01Å; R454-T457 WeakPolarHBondContact CA-OG1 3.49Å; R454-T457 PolarHBondContact O-N 3.27Å; R454-T457 PolarHBondContact O-OG1 2.67Å; T457-K461 WeakPolarHBondContact O-CG 3.3Å; T457-K461 PolarHBondContact O-N 2.86Å; T457-L474 HydrophobicContact CG2-CD1 3.96Å; T457-L474 HydrophobicContact CG2-CD2 4.18Å; T457-V477 HydrophobicContact CG2-CB 4.14Å; T457-V477 HydrophobicContact CG2-CG1 4.49Å; T457-V477 HydrophobicContact CG2-CG2 4.07Å; T457-A486 HydrophobicContact CG2-CB 3.98Å; T457-F488 HydrophobicContact CG2-CZ 4.14Å
458	E	96.6	Very high	95.5	Very high	92 Å²	92	51.5 Å²	51.5	43%	0.43	26%	0.26	S	S	.	.	H	α-helix	trans	-70.7	-35.9	173.5	-63.6	-51.6	135.1	0	0	112.3	R454 I460 K461 A462	R454-E458 HydrophobicContact CG-CG 4.38Å; R454-E458 WeakPolarHBondContact O-CB 3.18Å; R454-E458 VanDerWaalsContact O-CG 3.31Å; R454-E458 WeakPolarHBondContact O-CG 3.39Å; R454-E458 PolarHBondContact O-N 3.45Å; E458-I460 PolarHBondContact O-N 2.91Å; E458-K461 PolarHBondContact O-N 2.86Å; E458-K461 IonicContact OE1-NZ 3.22Å; E458-K461 PolarHBondContact OE1-NZ 2.83Å; E458-K461 WeakPolarHBondContact OE2-CD 3.36Å; E458-K461 IonicContact OE2-NZ 3.48Å; E458-A462 WeakPolarHBondContact O-CB 3.46Å; E458-A462 PolarHBondContact O-N 2.87Å
459	Q	96.3	Very high	95.4	Very high	39 Å²	39	56 Å²	56	18%	0.182	28%	0.282	C	S	.	.	H	α-helix	trans	-63.6	-40.1	173.6	-178	170.2	-1.9	0	0	112	P414 E455 W456 T463	P414-Q459 PolarHBondContact O-NE2 2.97Å; E455-Q459 WeakPolarHBondContact O-CB 3.47Å; E455-Q459 PolarHBondContact O-N 2.78Å; W456-Q459 PolarHBondContact O-N 2.72Å; Q459-T463 WeakPolarHBondContact O-CB 3.34Å; Q459-T463 PolarHBondContact O-N 3.13Å; Q459-T463 PolarHBondContact O-OG1 3.4Å
460	I	97.6	Very high	95.3	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-67.7	-44.6	174.4	-65.4	-54.2	0	0	0	111.4	L417 L444 W456 E458 A462 T463 L464 F488	L417-I460 HydrophobicContact CD1-CD1 3.7Å; L444-I460 HydrophobicContact CD1-CG2 3.95Å; L444-I460 HydrophobicContact CD2-CD1 3.75Å; L444-I460 HydrophobicContact CD2-CG1 4.15Å; L444-I460 HydrophobicContact CD2-CG2 4Å; W456-I460 HydrophobicContact CD2-CG1 4.19Å; W456-I460 HydrophobicContact CH2-CD1 3.89Å; W456-I460 HydrophobicContact CH2-CG1 4.35Å; W456-I460 HydrophobicContact CZ2-CD1 3.8Å; W456-I460 HydrophobicContact CZ2-CG1 3.88Å; W456-I460 HydrophobicContact CZ3-CD1 4.34Å; W456-I460 WeakPolarHBondContact O-CG1 3.17Å; W456-I460 PolarHBondContact O-N 2.96Å; E458-I460 PolarHBondContact O-N 2.91Å; I460-A462 VanDerWaalsContact C-N 3.34Å; I460-A462 PolarHBondContact O-N 2.93Å; I460-T463 PolarHBondContact O-N 3.19Å; I460-T463 VanDerWaalsContact O-N 3.17Å; I460-L464 HydrophobicContact CG2-CD1 4.02Å; I460-L464 HydrophobicContact CG2-CG 4.16Å; I460-L464 WeakPolarHBondContact O-CG 3.31Å; I460-L464 PolarHBondContact O-N 2.93Å; I460-F488 HydrophobicContact CB-CE2 4.05Å; I460-F488 HydrophobicContact CB-CZ 4.02Å; I460-F488 HydrophobicContact CG2-CD2 4.03Å; I460-F488 HydrophobicContact CG2-CE2 3.48Å; I460-F488 VanDerWaalsContact CG2-CE2 3.48Å; I460-F488 HydrophobicContact CG2-CZ 3.84Å
461	K	96.9	Very high	95.4	Very high	49 Å²	49	58.7 Å²	58.7	21%	0.213	29%	0.292	C	S	.	.	H	α-helix	trans	-56	-47.4	173.4	-73.8	171.5	-175.2	173.9	0	112	T457 E458 T463 L464 R465 F488	T457-K461 WeakPolarHBondContact O-CG 3.3Å; T457-K461 PolarHBondContact O-N 2.86Å; E458-K461 PolarHBondContact O-N 2.86Å; E458-K461 IonicContact OE1-NZ 3.22Å; E458-K461 PolarHBondContact OE1-NZ 2.83Å; E458-K461 WeakPolarHBondContact OE2-CD 3.36Å; E458-K461 IonicContact OE2-NZ 3.48Å; K461-T463 VanDerWaalsContact C-N 3.32Å; K461-T463 PolarHBondContact O-N 3.14Å; K461-L464 PolarHBondContact O-N 2.67Å; K461-R465 WeakPolarHBondContact O-CB 3.44Å; K461-R465 PolarHBondContact O-N 3.2Å; K461-F488 HydrophobicContact CG-CD1 4.28Å; K461-F488 HydrophobicContact CG-CE1 3.71Å
462	A	96.6	Very high	95.6	Very high	63 Å²	63	58.3 Å²	58.3	52%	0.521	29%	0.29	S	S	.	.	H	α-helix	trans	-60.9	-41.2	177.7	0	0	0	0	0	111.7	E458 I460 S466	E458-A462 WeakPolarHBondContact O-CB 3.46Å; E458-A462 PolarHBondContact O-N 2.87Å; I460-A462 VanDerWaalsContact C-N 3.34Å; I460-A462 PolarHBondContact O-N 2.93Å; A462-S466 WeakPolarHBondContact O-CB 3.23Å; A462-S466 PolarHBondContact O-N 2.85Å
463	T	96.3	Very high	95.8	Very high	8 Å²	8	59.8 Å²	59.8	5%	0.049	29%	0.286	C	S	.	.	H	α-helix	trans	-62.8	-53.7	175.1	-54.9	0	0	0	0	111	L417 V421 Q459 I460 K461 R465 S466 Y467	L417-T463 HydrophobicContact CB-CG2 4.07Å; V421-T463 HydrophobicContact CG2-CG2 3.91Å; Q459-T463 WeakPolarHBondContact O-CB 3.34Å; Q459-T463 PolarHBondContact O-N 3.13Å; Q459-T463 PolarHBondContact O-OG1 3.4Å; I460-T463 PolarHBondContact O-N 3.19Å; I460-T463 VanDerWaalsContact O-N 3.17Å; K461-T463 VanDerWaalsContact C-N 3.32Å; K461-T463 PolarHBondContact O-N 3.14Å; T463-R465 PolarHBondContact O-N 3.42Å; T463-S466 PolarHBondContact O-N 3.38Å; T463-S466 PolarHBondContact O-OG 2.86Å; T463-Y467 WeakPolarHBondContact O-CD1 3.19Å
464	L	96.3	Very high	96	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-56.7	-48.9	179	-67.8	178.8	0	0	0	111.3	V421 Y442 I460 K461 S466 Y467 T468 F472 F488	V421-L464 HydrophobicContact CB-CD2 4.17Å; V421-L464 HydrophobicContact CG1-CD2 4.22Å; V421-L464 HydrophobicContact CG2-CD2 4.42Å; Y442-L464 HydrophobicContact CD1-CD2 3.76Å; Y442-L464 HydrophobicContact CD2-CD1 4.2Å; Y442-L464 HydrophobicContact CD2-CD2 4.23Å; Y442-L464 HydrophobicContact CE1-CD2 3.59Å; Y442-L464 HydrophobicContact CE2-CD2 4.07Å; Y442-L464 HydrophobicContact CG-CD1 4.3Å; Y442-L464 HydrophobicContact CG-CD2 4.1Å; I460-L464 HydrophobicContact CG2-CD1 4.02Å; I460-L464 HydrophobicContact CG2-CG 4.16Å; I460-L464 WeakPolarHBondContact O-CG 3.31Å; I460-L464 PolarHBondContact O-N 2.93Å; K461-L464 PolarHBondContact O-N 2.67Å; L464-S466 VanDerWaalsContact C-N 3.3Å; L464-S466 PolarHBondContact O-N 3.47Å; L464-Y467 HydrophobicContact CD2-CE1 4.08Å; L464-T468 WeakPolarHBondContact O-CB 3.44Å; L464-T468 WeakPolarHBondContact O-CG2 3.26Å; L464-T468 PolarHBondContact O-N 3.07Å; L464-T468 PolarHBondContact O-OG1 3.37Å; L464-F472 HydrophobicContact CB-CD2 3.83Å; L464-F472 HydrophobicContact CB-CE2 4.39Å; L464-F472 HydrophobicContact CB-CG 4.43Å; L464-F472 HydrophobicContact CD1-CB 3.98Å; L464-F472 HydrophobicContact CD1-CD1 4.37Å; L464-F472 HydrophobicContact CD1-CD2 4.08Å; L464-F472 HydrophobicContact CD1-CG 3.88Å; L464-F488 HydrophobicContact CD1-CB 4.35Å; L464-F488 HydrophobicContact CD1-CG 4.34Å
465	R	95.6	Very high	96.1	Very high	139 Å²	139	50.4 Å²	50.4	53%	0.525	25%	0.254	S	S	.	.	H	α-helix	trans	-62.4	-33.9	179.5	-176.7	170.2	168.9	168.4	-7.9	112.9	K461 T463 Y467 Q469 I470 D471	K461-R465 WeakPolarHBondContact O-CB 3.44Å; K461-R465 PolarHBondContact O-N 3.2Å; T463-R465 PolarHBondContact O-N 3.42Å; R465-Y467 PolarHBondContact O-N 2.8Å; R465-Q469 VanDerWaalsContact O-CA 3.28Å; R465-Q469 WeakPolarHBondContact O-CA 3.42Å; R465-Q469 PolarHBondContact O-N 3.36Å; R465-I470 WeakPolarHBondContact CA-O 3.21Å; R465-D471 IonicContact CZ-OD1 2.74Å; R465-D471 IonicContact NE-OD1 2.71Å; R465-D471 IonicContact NH1-OD1 3.14Å; R465-D471 PolarHBondContact NH1-OD1 3.2Å
466	S	93.2	Very high	96.2	Very high	69 Å²	69	46.1 Å²	46.1	48%	0.483	24%	0.237	S	C	.	.	H	α-helix	trans	-64.5	-36.3	-176.9	72	0	0	0	0	114.2	A462 T463 L464 Q469	A462-S466 WeakPolarHBondContact O-CB 3.23Å; A462-S466 PolarHBondContact O-N 2.85Å; T463-S466 PolarHBondContact O-N 3.38Å; T463-S466 PolarHBondContact O-OG 2.86Å; L464-S466 VanDerWaalsContact C-N 3.3Å; L464-S466 PolarHBondContact O-N 3.47Å; S466-Q469 PolarHBondContact O-NE2 3.43Å
467	Y	89.3	Confident	96.3	Very high	34 Å²	34	47.7 Å²	47.7	13%	0.133	25%	0.246	C	C	.	.	H	α-helix	trans	-101.5	-34.2	178.5	80	-87.6	0	0	0	113.6	Q418 V421 T422 Y442 T463 L464 R465	Q418-Y467 HydrophobicContact CG-CD1 4.45Å; V421-Y467 HydrophobicContact CB-CE1 4.29Å; V421-Y467 HydrophobicContact CG2-CD1 4.25Å; V421-Y467 HydrophobicContact CG2-CE1 3.42Å; V421-Y467 VanDerWaalsContact CG2-CE1 3.42Å; V421-Y467 PolarHBondContact O-OH 2.86Å; T422-Y467 HydrophobicContact CG2-CD1 4.48Å; T422-Y467 HydrophobicContact CG2-CD2 3.84Å; T422-Y467 HydrophobicContact CG2-CE1 4.32Å; T422-Y467 HydrophobicContact CG2-CE2 3.63Å; T422-Y467 HydrophobicContact CG2-CG 4.26Å; Y442-Y467 PolarHBondContact OH-OH 2.98Å; T463-Y467 WeakPolarHBondContact O-CD1 3.19Å; L464-Y467 HydrophobicContact CD2-CE1 4.08Å; R465-Y467 PolarHBondContact O-N 2.8Å
468	T	92.9	Very high	96.3	Very high	22 Å²	22	49.3 Å²	49.3	14%	0.135	25%	0.253	C	S	.	.	H	α-helix	trans	-83.3	-23.6	-179.5	65.5	0	0	0	0	114	P438 L464 I470 F472	P438-T468 HydrophobicContact CB-CG2 3.85Å; L464-T468 WeakPolarHBondContact O-CB 3.44Å; L464-T468 WeakPolarHBondContact O-CG2 3.26Å; L464-T468 PolarHBondContact O-N 3.07Å; L464-T468 PolarHBondContact O-OG1 3.37Å; T468-I470 PolarHBondContact O-N 2.88Å; T468-I470 PolarHBondContact OG1-N 3.26Å; T468-F472 HydrophobicContact CG2-CE2 4.05Å
469	Q	94.6	Very high	96.3	Very high	152 Å²	152	46 Å²	46	71%	0.71	24%	0.24	S	C	*	.			trans	60.2	17.3	-165	-51.9	-60.8	-50.3	0	0	114.6	R465 S466	R465-Q469 VanDerWaalsContact O-CA 3.28Å; R465-Q469 WeakPolarHBondContact O-CA 3.42Å; R465-Q469 PolarHBondContact O-N 3.36Å; S466-Q469 PolarHBondContact O-NE2 3.43Å
470	I	95.6	Very high	96.2	Very high	41 Å²	41	45 Å²	45	21%	0.21	24%	0.236	C	C	.	.			trans	-105.8	137.5	178.7	-60.4	169.7	0	0	0	110.2	P438 R465 T468 F472 P491	P438-I470 HydrophobicContact CB-CD1 4.06Å; P438-I470 HydrophobicContact CG-CD1 4.05Å; R465-I470 WeakPolarHBondContact CA-O 3.21Å; T468-I470 PolarHBondContact O-N 2.88Å; T468-I470 PolarHBondContact OG1-N 3.26Å; I470-F472 HydrophobicContact CB-CD2 3.96Å; I470-F472 HydrophobicContact CB-CE2 3.64Å; I470-F472 HydrophobicContact CB-CZ 4.42Å; I470-F472 HydrophobicContact CD1-CE2 4.33Å; I470-F472 HydrophobicContact CD1-CZ 4.43Å; I470-F472 HydrophobicContact CG2-CD2 3.79Å; I470-F472 HydrophobicContact CG2-CE2 3.68Å; I470-F472 HydrophobicContact CG2-CG 4.4Å; I470-F472 HydrophobicContact CG2-CZ 4.17Å; I470-F472 PolarHBondContact O-N 3.35Å; I470-P491 VanDerWaalsContact CG2-CD 3.46Å; I470-P491 HydrophobicContact CG2-CG 4.12Å
471	D	96.8	Very high	95.9	Very high	79 Å²	79	49.8 Å²	49.8	42%	0.422	25%	0.254	S	S	.	.			trans	-91.6	74.5	178.9	-162.7	65.6	0	0	0	111	R465 P491	R465-D471 IonicContact CZ-OD1 2.74Å; R465-D471 IonicContact NE-OD1 2.71Å; R465-D471 IonicContact NH1-OD1 3.14Å; R465-D471 PolarHBondContact NH1-OD1 3.2Å; D471-P491 WeakPolarHBondContact O-CG 3.31Å
472	F	98.1	Very high	95.7	Very high	5 Å²	5	51.4 Å²	51.4	2%	0.022	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-55.1	133.8	-172.9	-84.4	-93.3	0	0	0	114.1	P438 Y442 L464 T468 I470 F488 V489 N490	P438-F472 HydrophobicContact CB-CZ 4.41Å; Y442-F472 HydrophobicContact CD2-CD1 4.14Å; Y442-F472 AromaticContact CD2-CE1 3.76Å; Y442-F472 HydrophobicContact CD2-CE1 3.76Å; Y442-F472 HydrophobicContact CD2-CZ 4.24Å; Y442-F472 HydrophobicContact CE2-CD1 4.22Å; Y442-F472 AromaticContact CE2-CE1 3.49Å; Y442-F472 HydrophobicContact CE2-CE1 3.49Å; Y442-F472 VanDerWaalsContact CE2-CE1 3.49Å; Y442-F472 HydrophobicContact CE2-CE2 4.23Å; Y442-F472 AromaticContact CE2-CZ 3.51Å; Y442-F472 HydrophobicContact CE2-CZ 3.51Å; L464-F472 HydrophobicContact CB-CD2 3.83Å; L464-F472 HydrophobicContact CB-CE2 4.39Å; L464-F472 HydrophobicContact CB-CG 4.43Å; L464-F472 HydrophobicContact CD1-CB 3.98Å; L464-F472 HydrophobicContact CD1-CD1 4.37Å; L464-F472 HydrophobicContact CD1-CD2 4.08Å; L464-F472 HydrophobicContact CD1-CG 3.88Å; T468-F472 HydrophobicContact CG2-CE2 4.05Å; I470-F472 HydrophobicContact CB-CD2 3.96Å; I470-F472 HydrophobicContact CB-CE2 3.64Å; I470-F472 HydrophobicContact CB-CZ 4.42Å; I470-F472 HydrophobicContact CD1-CE2 4.33Å; I470-F472 HydrophobicContact CD1-CZ 4.43Å; I470-F472 HydrophobicContact CG2-CD2 3.79Å; I470-F472 HydrophobicContact CG2-CE2 3.68Å; I470-F472 HydrophobicContact CG2-CG 4.4Å; I470-F472 HydrophobicContact CG2-CZ 4.17Å; I470-F472 PolarHBondContact O-N 3.35Å; F472-F488 HydrophobicContact CB-CB 4.37Å; F472-F488 HydrophobicContact CD1-CB 4.49Å; F472-V489 VanDerWaalsContact CD1-C 3.47Å; F472-V489 WeakPolarHBondContact CD1-O 3.33Å; F472-N490 HydrophobicContact CE1-CB 3.89Å; F472-N490 HydrophobicContact CZ-CB 4.44Å
473	K	98.3	Very high	95.7	Very high	68 Å²	68	48.6 Å²	48.6	30%	0.296	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	138.2	176.6	-58	-52.7	-169.5	-163.6	0	110.4	F488 V489 P491 E494	K473-F488 CarbonylContact O-C 3.6Å; K473-F488 WeakPolarHBondContact O-CA 3.24Å; K473-F488 WeakPolarHBondContact O-CB 3.37Å; K473-V489 HydrophobicContact CB-CG1 4.03Å; K473-V489 PolarHBondContact N-O 2.73Å; K473-V489 PolarHBondContact O-N 2.86Å; K473-P491 HydrophobicContact CG-CB 4.32Å; K473-P491 HydrophobicContact CG-CG 4.18Å; K473-E494 WeakPolarHBondContact CE-OE2 3.48Å; K473-E494 HydrophobicContact CG-CB 4.45Å; K473-E494 HydrophobicContact CG-CG 4.27Å
474	L	98.6	Very high	95.7	Very high	60 Å²	60	48.9 Å²	48.9	31%	0.314	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	118	168.7	-179.6	71.9	0	0	0	108.1	T457 A476 V477 A486 F488	T457-L474 HydrophobicContact CG2-CD1 3.96Å; T457-L474 HydrophobicContact CG2-CD2 4.18Å; L474-A476 WeakPolarHBondContact CD1-O 3.39Å; L474-V477 HydrophobicContact CD1-CB 4.46Å; L474-V477 HydrophobicContact CD2-CB 4.49Å; L474-V477 HydrophobicContact CD2-CG1 4.27Å; L474-A486 HydrophobicContact CD1-CB 4.32Å; L474-F488 HydrophobicContact CB-CD1 4.13Å; L474-F488 HydrophobicContact CB-CE1 4.03Å; L474-F488 HydrophobicContact CD1-CD1 3.97Å; L474-F488 HydrophobicContact CD1-CE1 3.54Å; L474-F488 HydrophobicContact CD1-CE2 4.24Å; L474-F488 HydrophobicContact CD1-CG 4.49Å; L474-F488 HydrophobicContact CD1-CZ 3.7Å; L474-F488 HydrophobicContact CG-CE1 4.38Å
475	V	98.5	Very high	95.9	Very high	27 Å²	27	49 Å²	49	16%	0.164	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	-49.9	173.7	176.5	0	0	0	0	109.8	V487 V489 V497 V500 F523	V475-V487 HydrophobicContact CB-CB 4.49Å; V475-V487 HydrophobicContact CB-CG1 4.49Å; V475-V487 WeakPolarHBondContact CB-O 3.33Å; V475-V487 PolarHBondContact N-O 2.99Å; V475-V489 HydrophobicContact CG2-CB 3.7Å; V475-V489 HydrophobicContact CG2-CG1 3.54Å; V475-V497 HydrophobicContact CG1-CG1 3.85Å; V475-V497 HydrophobicContact CG2-CG1 4.42Å; V475-V500 HydrophobicContact CG1-CG1 4.02Å; V475-V500 HydrophobicContact CG1-CG2 3.87Å; V475-F523 HydrophobicContact CG1-CD1 4.07Å; V475-F523 HydrophobicContact CG1-CG 4.37Å
476	A	98.6	Very high	96	Very high	14 Å²	14	42.3 Å²	42.3	12%	0.116	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	159.2	174.1	0	0	0	0	0	111.3	L474 V487 V500 T502 V521	L474-A476 WeakPolarHBondContact CD1-O 3.39Å; A476-V487 PolarHBondContact N-O 3.27Å; A476-V487 PolarHBondContact O-N 3.17Å; A476-V500 HydrophobicContact CB-CG1 3.96Å; A476-T502 HydrophobicContact CB-CG2 3.74Å; A476-V521 HydrophobicContact CB-CG1 3.82Å; A476-V521 HydrophobicContact CB-CG2 4.16Å
477	V	98.4	Very high	96.3	Very high	34 Å²	34	39 Å²	39	21%	0.206	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	142.9	162.7	62.4	0	0	0	0	108.9	T457 L474 R484 L485 A486	T457-V477 HydrophobicContact CG2-CB 4.14Å; T457-V477 HydrophobicContact CG2-CG1 4.49Å; T457-V477 HydrophobicContact CG2-CG2 4.07Å; L474-V477 HydrophobicContact CD1-CB 4.46Å; L474-V477 HydrophobicContact CD2-CB 4.49Å; L474-V477 HydrophobicContact CD2-CG1 4.27Å; V477-R484 HydrophobicContact CG2-CG 3.78Å; V477-L485 CarbonylContact C-O 3.57Å; V477-L485 WeakPolarHBondContact CA-O 3.4Å; V477-A486 HydrophobicContact CB-CB 4.38Å; V477-A486 HydrophobicContact CG2-CB 4.09Å
478	Q	98.3	Very high	96.7	Very high	40 Å²	40	37.4 Å²	37.4	19%	0.187	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	123.1	174.7	179.2	67.2	72.3	0	0	109.5	R484 L485 T502 A503 V519 V521	Q478-R484 CarbonylContact O-C 3.37Å; Q478-R484 WeakPolarHBondContact O-CA 3.15Å; Q478-L485 PolarHBondContact N-O 3.44Å; Q478-L485 PolarHBondContact O-N 2.8Å; Q478-T502 VanDerWaalsContact OE1-CB 3.24Å; Q478-T502 PolarHBondContact OE1-OG1 3.34Å; Q478-A503 WeakPolarHBondContact CG-O 3.43Å; Q478-V519 HydrophobicContact CB-CB 4.42Å; Q478-V519 HydrophobicContact CG-CB 3.86Å; Q478-V519 HydrophobicContact CG-CG1 4.01Å; Q478-V521 HydrophobicContact CB-CG2 4.39Å
479	S	96.6	Very high	97	Very high	22 Å²	22	36.5 Å²	36.5	15%	0.154	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	160.5	169.8	-55.5	0	0	0	0	113	E453 M483 R484	E453-S479 WeakPolarHBondContact CG-OG 3.49Å; E453-S479 WeakPolarHBondContact OE1-CB 3.35Å; E453-S479 PolarHBondContact OE1-N 3.32Å; E453-S479 PolarHBondContact OE1-OG 2.82Å; S479-M483 CarbonylContact C-O 3.58Å; S479-M483 VanDerWaalsContact CA-O 3.23Å; S479-M483 WeakPolarHBondContact CA-O 3.49Å; S479-R484 WeakPolarHBondContact OG-CG 3.12Å; S479-R484 PolarHBondContact OG-NE 3.41Å
480	L	94	Very high	97.1	Very high	18 Å²	18	29.7 Å²	29.7	9%	0.094	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	104	165.1	171.8	59.1	0	0	0	107.4	M483 V505 K506 V519	L480-M483 HydrophobicContact CB-CE 4.05Å; L480-M483 HydrophobicContact CD2-CE 4Å; L480-M483 HydrophobicContact CG-CE 4.18Å; L480-M483 PolarHBondContact N-O 2.71Å; L480-M483 PolarHBondContact O-N 2.86Å; L480-V505 WeakPolarHBondContact CD2-O 3.48Å; L480-K506 HydrophobicContact CD1-CG 4.09Å; L480-K506 HydrophobicContact CD2-CG 4.08Å; L480-V519 HydrophobicContact CB-CG1 3.49Å; L480-V519 VanDerWaalsContact CB-CG1 3.49Å
481	W	91	Very high	97.2	Very high	102 Å²	102	29.7 Å²	29.7	39%	0.386	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.3	-140.6	-160.4	-53.8	-76.3	0	0	0	110.9	M483 K506 G514	W481-M483 PolarHBondContact O-N 3.41Å; W481-K506 HydrophobicContact CH2-CB 4.11Å; W481-K506 HydrophobicContact CH2-CD 3.6Å; W481-K506 HydrophobicContact CH2-CG 3.53Å; W481-K506 HydrophobicContact CZ2-CD 4.13Å; W481-K506 HydrophobicContact CZ2-CG 4.47Å; W481-K506 HydrophobicContact CZ3-CB 4.4Å; W481-K506 HydrophobicContact CZ3-CD 4.41Å; W481-K506 HydrophobicContact CZ3-CG 3.87Å; W481-G514 WeakPolarHBondContact CH2-O 3.16Å; W481-G514 WeakPolarHBondContact CZ3-O 3.43Å
482	N	92.8	Very high	97	Very high	83 Å²	83	31.9 Å²	31.9	44%	0.444	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	22.7	-177.5	-57.7	25.9	0	0	0	113.1	Q447 E448 N449	Q447-N482 CarbonylContact C-O 3.54Å; E448-N482 CarbonylContact C-O 3.57Å; E448-N482 WeakPolarHBondContact CA-O 3.4Å; E448-N482 PolarHBondContact N-O 2.75Å; N449-N482 PolarHBondContact N-O 2.85Å; N449-N482 WeakPolarHBondContact O-CB 3.28Å
483	M	95.5	Very high	96.9	Very high	4 Å²	4	32.3 Å²	32.3	2%	0.02	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	131.8	175.1	167.5	-178.7	54.9	0	0	108.5	T446 S479 L480 W481 V519 C535 H536	T446-M483 WeakPolarHBondContact O-CA 3.37Å; S479-M483 CarbonylContact C-O 3.58Å; S479-M483 VanDerWaalsContact CA-O 3.23Å; S479-M483 WeakPolarHBondContact CA-O 3.49Å; L480-M483 HydrophobicContact CB-CE 4.05Å; L480-M483 HydrophobicContact CD2-CE 4Å; L480-M483 HydrophobicContact CG-CE 4.18Å; L480-M483 PolarHBondContact N-O 2.71Å; L480-M483 PolarHBondContact O-N 2.86Å; W481-M483 PolarHBondContact O-N 3.41Å; M483-V519 HydrophobicContact CE-CG1 4.23Å; M483-V519 HydrophobicContact CG-CG2 4.17Å; M483-C535 VanDerWaalsContact SD-CA 3.6Å; M483-H536 HydrophobicContact SD-CB 3.95Å; M483-H536 PolarHBondContact SD-N 3.35Å; M483-H536 VanDerWaalsContact SD-N 3.36Å
484	R	97.6	Very high	96.8	Very high	14 Å²	14	34.3 Å²	34.3	5%	0.053	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	142.7	-169.4	-177.1	175.3	-61.6	133.3	1.5	111.8	G445 T446 N449 Q451 G452 V477 Q478 S479 N534	G445-R484 CarbonylContact C-O 3.46Å; G445-R484 WeakPolarHBondContact CA-O 3.36Å; T446-R484 PolarHBondContact N-O 3.19Å; T446-R484 PolarHBondContact O-N 2.74Å; N449-R484 PolarHBondContact ND2-NH1 2.95Å; N449-R484 PolarHBondContact OD1-NH1 3.19Å; Q451-R484 VanDerWaalsContact O-CZ 3.25Å; Q451-R484 PolarHBondContact O-NH1 2.84Å; Q451-R484 PolarHBondContact O-NH2 2.86Å; G452-R484 PolarHBondContact O-NH1 3.38Å; V477-R484 HydrophobicContact CG2-CG 3.78Å; Q478-R484 CarbonylContact O-C 3.37Å; Q478-R484 WeakPolarHBondContact O-CA 3.15Å; S479-R484 WeakPolarHBondContact OG-CG 3.12Å; S479-R484 PolarHBondContact OG-NE 3.41Å; R484-N534 PolarHBondContact O-ND2 3.04Å
485	L	98.8	Very high	96.6	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	122.4	168.4	175.5	59.9	0	0	0	108.4	A443 L444 V477 Q478 V487 V519 V521 F532 N534	A443-L485 HydrophobicContact CB-CD1 4.36Å; L444-L485 WeakPolarHBondContact O-CA 3.26Å; V477-L485 CarbonylContact C-O 3.57Å; V477-L485 WeakPolarHBondContact CA-O 3.4Å; Q478-L485 PolarHBondContact N-O 3.44Å; Q478-L485 PolarHBondContact O-N 2.8Å; L485-V487 HydrophobicContact CD1-CG2 4.3Å; L485-V487 HydrophobicContact CG-CG2 4.21Å; L485-V519 HydrophobicContact CB-CG2 3.73Å; L485-V521 HydrophobicContact CD2-CB 4.12Å; L485-V521 HydrophobicContact CD2-CG2 3.94Å; L485-V521 HydrophobicContact CG-CG2 4.09Å; L485-F532 HydrophobicContact CD2-CB 3.87Å; L485-F532 WeakPolarHBondContact CD2-O 3.36Å; L485-N534 HydrophobicContact CB-CB 4.05Å; L485-N534 HydrophobicContact CD1-CB 4.44Å; L485-N534 HydrophobicContact CD2-CB 4.45Å
486	A	98.8	Very high	96.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	131.9	171.7	0	0	0	0	0	109.1	L444 T457 L474 V477 F488	L444-A486 PolarHBondContact N-O 3.37Å; L444-A486 PolarHBondContact O-N 3.42Å; T457-A486 HydrophobicContact CG2-CB 3.98Å; L474-A486 HydrophobicContact CD1-CB 4.32Å; V477-A486 HydrophobicContact CB-CB 4.38Å; V477-A486 HydrophobicContact CG2-CB 4.09Å; A486-F488 HydrophobicContact CB-CE2 3.69Å; A486-F488 HydrophobicContact CB-CZ 4.14Å
487	V	98.9	Very high	96.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	128.7	178.4	-173.3	0	0	0	0	110.1	I441 Y442 A443 V475 A476 L485 V521 F523	I441-V487 HydrophobicContact CG2-CG1 4.07Å; Y442-V487 CarbonylContact O-C 3.56Å; Y442-V487 WeakPolarHBondContact O-CA 3.36Å; A443-V487 HydrophobicContact CB-CG1 4.44Å; A443-V487 HydrophobicContact CB-CG2 4.01Å; V475-V487 HydrophobicContact CB-CB 4.49Å; V475-V487 HydrophobicContact CB-CG1 4.49Å; V475-V487 WeakPolarHBondContact CB-O 3.33Å; V475-V487 PolarHBondContact N-O 2.99Å; A476-V487 PolarHBondContact N-O 3.27Å; A476-V487 PolarHBondContact O-N 3.17Å; L485-V487 HydrophobicContact CD1-CG2 4.3Å; L485-V487 HydrophobicContact CG-CG2 4.21Å; V487-V521 HydrophobicContact CB-CG1 4.27Å; V487-V521 HydrophobicContact CG2-CB 3.89Å; V487-V521 HydrophobicContact CG2-CG1 3.83Å; V487-V521 HydrophobicContact CG2-CG2 4.13Å; V487-F523 HydrophobicContact CG1-CE1 3.98Å
488	F	98.8	Very high	96.3	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	151.7	-179.4	-58.2	-93	0	0	0	111.1	I441 Y442 L444 T457 I460 K461 L464 F472 K473 L474 A486	I441-F488 CarbonylContact C-O 3.43Å; I441-F488 WeakPolarHBondContact CA-O 3.22Å; Y442-F488 PolarHBondContact N-O 3.1Å; Y442-F488 PolarHBondContact O-N 3.47Å; L444-F488 HydrophobicContact CD1-CD2 3.77Å; L444-F488 HydrophobicContact CD1-CE2 3.96Å; T457-F488 HydrophobicContact CG2-CZ 4.14Å; I460-F488 HydrophobicContact CB-CE2 4.05Å; I460-F488 HydrophobicContact CB-CZ 4.02Å; I460-F488 HydrophobicContact CG2-CD2 4.03Å; I460-F488 HydrophobicContact CG2-CE2 3.48Å; I460-F488 VanDerWaalsContact CG2-CE2 3.48Å; I460-F488 HydrophobicContact CG2-CZ 3.84Å; K461-F488 HydrophobicContact CG-CD1 4.28Å; K461-F488 HydrophobicContact CG-CE1 3.71Å; L464-F488 HydrophobicContact CD1-CB 4.35Å; L464-F488 HydrophobicContact CD1-CG 4.34Å; F472-F488 HydrophobicContact CB-CB 4.37Å; F472-F488 HydrophobicContact CD1-CB 4.49Å; K473-F488 CarbonylContact O-C 3.6Å; K473-F488 WeakPolarHBondContact O-CA 3.24Å; K473-F488 WeakPolarHBondContact O-CB 3.37Å; L474-F488 HydrophobicContact CB-CD1 4.13Å; L474-F488 HydrophobicContact CB-CE1 4.03Å; L474-F488 HydrophobicContact CD1-CD1 3.97Å; L474-F488 HydrophobicContact CD1-CE1 3.54Å; L474-F488 HydrophobicContact CD1-CE2 4.24Å; L474-F488 HydrophobicContact CD1-CG 4.49Å; L474-F488 HydrophobicContact CD1-CZ 3.7Å; L474-F488 HydrophobicContact CG-CE1 4.38Å; A486-F488 HydrophobicContact CB-CE2 3.69Å; A486-F488 HydrophobicContact CB-CZ 4.14Å
489	V	98.6	Very high	96.2	Very high	3 Å²	3	43.9 Å²	43.9	2%	0.018	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	145.9	176.3	71.6	0	0	0	0	111	D440 I441 F472 K473 V475 H493 V497	D440-V489 WeakPolarHBondContact O-CA 3.3Å; D440-V489 WeakPolarHBondContact O-CG2 3.43Å; I441-V489 HydrophobicContact CG1-CG2 4.15Å; F472-V489 VanDerWaalsContact CD1-C 3.47Å; F472-V489 WeakPolarHBondContact CD1-O 3.33Å; K473-V489 HydrophobicContact CB-CG1 4.03Å; K473-V489 PolarHBondContact N-O 2.73Å; K473-V489 PolarHBondContact O-N 2.86Å; V475-V489 HydrophobicContact CG2-CB 3.7Å; V475-V489 HydrophobicContact CG2-CG1 3.54Å; V489-H493 HydrophobicContact CG2-CB 3.89Å; V489-V497 HydrophobicContact CG1-CG2 4.37Å; V489-V497 HydrophobicContact CG2-CG2 4.19Å
490	N	97.2	Very high	96.2	Very high	9 Å²	9	46.1 Å²	46.1	5%	0.048	24%	0.239	C	C	.	.			trans	-57.5	129.4	169.7	179.8	-10.3	0	0	0	109.4	D440 F472 E492 H493	D440-N490 PolarHBondContact O-N 3.31Å; F472-N490 HydrophobicContact CE1-CB 3.89Å; F472-N490 HydrophobicContact CZ-CB 4.44Å; N490-E492 PolarHBondContact ND2-OE1 2.83Å; N490-E492 PolarHBondContact O-N 3.41Å; N490-E492 PolarHBondContact OD1-N 2.71Å; N490-H493 PolarHBondContact O-N 3.28Å
491	P	97.1	Very high	96.4	Very high	41 Å²	41	47.4 Å²	47.4	27%	0.266	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-54.7	-27.3	-177	-28.3	36.1	0	0	0	115	I470 D471 K473 H493 E494	I470-P491 VanDerWaalsContact CG2-CD 3.46Å; I470-P491 HydrophobicContact CG2-CG 4.12Å; D471-P491 WeakPolarHBondContact O-CG 3.31Å; K473-P491 HydrophobicContact CG-CB 4.32Å; K473-P491 HydrophobicContact CG-CG 4.18Å; P491-H493 PolarHBondContact O-N 3.15Å; P491-H493 VanDerWaalsContact O-N 3.09Å; P491-E494 WeakPolarHBondContact O-CB 3.22Å; P491-E494 PolarHBondContact O-N 2.91Å; P491-E494 VanDerWaalsContact O-N 3.13Å
492	E	93.3	Very high	96.7	Very high	125 Å²	125	45 Å²	45	58%	0.584	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-68.1	-6	176.8	80.7	-169.1	125.7	0	0	113.8	N490 R496	N490-E492 PolarHBondContact ND2-OE1 2.83Å; N490-E492 PolarHBondContact O-N 3.41Å; N490-E492 PolarHBondContact OD1-N 2.71Å; E492-R496 PolarHBondContact O-NH1 3.07Å
493	H	95.6	Very high	96.9	Very high	13 Å²	13	41.8 Å²	41.8	6%	0.06	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-116.8	8.6	173.5	-53	-25.8	0	0	0	113.8	D440 V489 N490 P491 S495 R496 V497 F525	D440-H493 IonicContact OD1-NE2 3.93Å; V489-H493 HydrophobicContact CG2-CB 3.89Å; N490-H493 PolarHBondContact O-N 3.28Å; P491-H493 PolarHBondContact O-N 3.15Å; P491-H493 VanDerWaalsContact O-N 3.09Å; H493-S495 PolarHBondContact O-N 2.73Å; H493-R496 HydrophobicContact CB-CB 4.42Å; H493-R496 WeakPolarHBondContact O-CB 3.22Å; H493-R496 PolarHBondContact O-N 2.68Å; H493-V497 PolarHBondContact O-N 3.25Å; H493-F525 HydrophobicContact CB-CE2 3.63Å; H493-F525 HydrophobicContact CB-CZ 3.91Å; H493-F525 AromaticContact CD2-CE2 3.68Å; H493-F525 AromaticContact CD2-CZ 3.64Å; H493-F525 AromaticContact CG-CE2 3.78Å; H493-F525 AromaticContact CG-CZ 3.67Å
494	E	95.4	Very high	97	Very high	110 Å²	110	44.1 Å²	44.1	51%	0.514	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-55.7	-38.9	-179.5	-175.1	168.2	-157.5	0	0	112.1	K473 P491 R496	K473-E494 WeakPolarHBondContact CE-OE2 3.48Å; K473-E494 HydrophobicContact CG-CB 4.45Å; K473-E494 HydrophobicContact CG-CG 4.27Å; P491-E494 WeakPolarHBondContact O-CB 3.22Å; P491-E494 PolarHBondContact O-N 2.91Å; P491-E494 VanDerWaalsContact O-N 3.13Å; E494-R496 VanDerWaalsContact C-N 3.28Å; E494-R496 PolarHBondContact O-N 2.92Å
495	S	94.6	Very high	96.8	Very high	110 Å²	110	43.9 Å²	43.9	77%	0.769	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-72.9	-11.3	175.5	55.5	0	0	0	0	115.5	H493	H493-S495 PolarHBondContact O-N 2.73Å
496	R	95.4	Very high	96.3	Very high	44 Å²	44	48.2 Å²	48.2	17%	0.166	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-95.5	-15.1	-177.6	-62.4	-176.6	168.5	96.2	1.2	112.9	D394 E395 E492 H493 E494 F525 N526	D394-R496 PolarHBondContact O-NH2 2.8Å; E395-R496 IonicContact OE1-CZ 3.75Å; E395-R496 IonicContact OE1-NE 3.66Å; E395-R496 PolarHBondContact OE1-NE 2.91Å; E395-R496 IonicContact OE1-NH2 3.97Å; E395-R496 PolarHBondContact OE1-NH2 3.35Å; E395-R496 IonicContact OE2-CZ 3.18Å; E395-R496 IonicContact OE2-NE 2.72Å; E395-R496 PolarHBondContact OE2-NE 3.23Å; E395-R496 IonicContact OE2-NH2 3.26Å; E395-R496 PolarHBondContact OE2-NH2 3.14Å; E492-R496 PolarHBondContact O-NH1 3.07Å; H493-R496 HydrophobicContact CB-CB 4.42Å; H493-R496 WeakPolarHBondContact O-CB 3.22Å; H493-R496 PolarHBondContact O-N 2.68Å; E494-R496 VanDerWaalsContact C-N 3.28Å; E494-R496 PolarHBondContact O-N 2.92Å; R496-F525 HydrophobicContact CB-CE1 4.35Å; R496-F525 HydrophobicContact CB-CE2 4.35Å; R496-F525 HydrophobicContact CB-CZ 4.23Å; R496-F525 WeakPolarHBondContact O-CA 3.3Å; R496-N526 WeakPolarHBondContact CB-OD1 3.17Å; R496-N526 WeakPolarHBondContact CG-OD1 3.17Å; R496-N526 PolarHBondContact O-N 2.89Å
497	V	97.3	Very high	95.5	Very high	29 Å²	29	48.2 Å²	48.2	18%	0.176	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	126	179.1	176.9	0	0	0	0	109.8	V475 V489 H493 V500 F523 L524 F525	V475-V497 HydrophobicContact CG1-CG1 3.85Å; V475-V497 HydrophobicContact CG2-CG1 4.42Å; V489-V497 HydrophobicContact CG1-CG2 4.37Å; V489-V497 HydrophobicContact CG2-CG2 4.19Å; H493-V497 PolarHBondContact O-N 3.25Å; V497-V500 HydrophobicContact CG1-CG2 3.82Å; V497-F523 HydrophobicContact CG1-CB 4.07Å; V497-F523 HydrophobicContact CG1-CD2 3.88Å; V497-F523 HydrophobicContact CG1-CG 4.08Å; V497-F523 HydrophobicContact CG2-CD2 4.27Å; V497-F523 HydrophobicContact CG2-CE2 4.32Å; V497-L524 WeakPolarHBondContact CA-O 3.27Å; V497-F525 HydrophobicContact CG2-CD2 4.31Å
498	S	96.3	Very high	93.7	Very high	44 Å²	44	48.7 Å²	48.7	31%	0.308	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	175.3	176.3	65.4	0	0	0	0	111	V500 F523 L524	S498-V500 PolarHBondContact O-N 3.36Å; S498-V500 VanDerWaalsContact O-N 3.17Å; S498-F523 WeakPolarHBondContact O-CB 3.13Å; S498-L524 PolarHBondContact N-O 3.18Å; S498-L524 PolarHBondContact O-N 2.91Å
499	H	95.9	Very high	91.3	Very high	150 Å²	150	53.2 Å²	53.2	69%	0.694	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	53.6	38.4	175.1	-56.4	85.1	0	0	0	113.9	N501 L524	H499-N501 PolarHBondContact O-N 2.81Å; H499-L524 HydrophobicContact CB-CB 4.17Å
500	V	98	Very high	88.9	Confident	68 Å²	68	56.2 Å²	56.2	41%	0.412	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	126.4	178.5	-173.5	0	0	0	0	109.6	V475 A476 V497 S498 S522 F523	V475-V500 HydrophobicContact CG1-CG1 4.02Å; V475-V500 HydrophobicContact CG1-CG2 3.87Å; A476-V500 HydrophobicContact CB-CG1 3.96Å; V497-V500 HydrophobicContact CG1-CG2 3.82Å; S498-V500 PolarHBondContact O-N 3.36Å; S498-V500 VanDerWaalsContact O-N 3.17Å; V500-S522 CarbonylContact C-O 3.52Å; V500-S522 WeakPolarHBondContact CA-O 3.28Å; V500-F523 HydrophobicContact CG2-CB 4.03Å
501	N	97.6	Very high	86.7	Confident	46 Å²	46	58.2 Å²	58.2	25%	0.246	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	143.7	-179.7	-177	13.9	0	0	0	109.5	H499 V521 S522 S559 G561	H499-N501 PolarHBondContact O-N 2.81Å; N501-V521 WeakPolarHBondContact O-CA 3.32Å; N501-S522 PolarHBondContact N-O 2.93Å; N501-S522 PolarHBondContact O-N 2.87Å; N501-S559 PolarHBondContact ND2-O 3.32Å; N501-G561 PolarHBondContact ND2-N 3.09Å; N501-G561 PolarHBondContact ND2-O 3.1Å
502	T	98.2	Very high	83.8	Confident	52 Å²	52	60.9 Å²	60.9	32%	0.319	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	148.8	178.9	70.8	0	0	0	0	111.2	A476 Q478 G520 V521	A476-T502 HydrophobicContact CB-CG2 3.74Å; Q478-T502 VanDerWaalsContact OE1-CB 3.24Å; Q478-T502 PolarHBondContact OE1-OG1 3.34Å; T502-G520 WeakPolarHBondContact CA-O 3.4Å; T502-V521 HydrophobicContact CG2-CG2 4.06Å
503	A	96.6	Very high	81.4	Confident	14 Å²	14	60.4 Å²	60.4	12%	0.116	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	164	-179.1	0	0	0	0	0	111.5	Q478 V519 G520 L558 L560	Q478-A503 WeakPolarHBondContact CG-O 3.43Å; A503-V519 CarbonylContact O-C 3.55Å; A503-V519 WeakPolarHBondContact O-CA 3.48Å; A503-G520 PolarHBondContact N-O 3.41Å; A503-G520 VanDerWaalsContact N-O 3.07Å; A503-G520 PolarHBondContact O-N 3.49Å; A503-L558 HydrophobicContact CB-CD1 3.7Å; A503-L558 HydrophobicContact CB-CG 4.13Å; A503-L560 HydrophobicContact CB-CD2 3.65Å; A503-L560 HydrophobicContact CB-CG 3.92Å
504	S	96.3	Very high	79.7	Confident	53 Å²	53	61.6 Å²	61.6	37%	0.371	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	155	169.5	73.5	0	0	0	0	111.9	G518	S504-G518 CarbonylContact C-O 3.57Å; S504-G518 VanDerWaalsContact CA-O 3.24Å; S504-G518 WeakPolarHBondContact CA-O 3.34Å; S504-G518 WeakPolarHBondContact CB-O 3.23Å
505	V	94.1	Very high	79	Confident	10 Å²	10	59.7 Å²	59.7	6%	0.061	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	131.6	178.9	175.7	0	0	0	0	109	L480 T507 G517 G518 I554 L557 L558	L480-V505 WeakPolarHBondContact CD2-O 3.48Å; V505-T507 HydrophobicContact CG1-CG2 4.04Å; V505-G517 CarbonylContact O-C 3.5Å; V505-G517 WeakPolarHBondContact O-CA 3.13Å; V505-G518 PolarHBondContact N-O 3.07Å; V505-G518 PolarHBondContact O-N 2.92Å; V505-I554 HydrophobicContact CB-CG1 4.26Å; V505-I554 HydrophobicContact CG1-CG1 4.22Å; V505-L557 HydrophobicContact CG1-CB 3.98Å; V505-L557 HydrophobicContact CG1-CD1 4.15Å; V505-L557 VanDerWaalsContact CG2-C 3.43Å; V505-L557 HydrophobicContact CG2-CB 3.68Å; V505-L558 VanDerWaalsContact CG2-CA 3.5Å; V505-L558 HydrophobicContact CG2-CB 3.72Å; V505-L558 HydrophobicContact CG2-CD1 3.85Å; V505-L558 HydrophobicContact CG2-CG 4.42Å; V505-L558 VanDerWaalsContact CG2-N 3.34Å
506	K	89.1	Confident	78.8	Confident	91 Å²	91	55.5 Å²	55.5	40%	0.396	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	134.3	174	-63.3	179.7	169.9	-175.5	0	109.9	L480 W481 N511	L480-K506 HydrophobicContact CD1-CG 4.09Å; L480-K506 HydrophobicContact CD2-CG 4.08Å; W481-K506 HydrophobicContact CH2-CB 4.11Å; W481-K506 HydrophobicContact CH2-CD 3.6Å; W481-K506 HydrophobicContact CH2-CG 3.53Å; W481-K506 HydrophobicContact CZ2-CD 4.13Å; W481-K506 HydrophobicContact CZ2-CG 4.47Å; W481-K506 HydrophobicContact CZ3-CB 4.4Å; W481-K506 HydrophobicContact CZ3-CD 4.41Å; W481-K506 HydrophobicContact CZ3-CG 3.87Å; K506-N511 WeakPolarHBondContact CB-O 3.25Å
507	T	80.6	Confident	78.7	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	32%	0.32	C	S	.	.			trans	-136.1	21.2	177.4	66.7	0	0	0	0	113.3	V505 K516 G517 R546 S550 D553 I554	V505-T507 HydrophobicContact CG1-CG2 4.04Å; T507-K516 PolarHBondContact N-O 3Å; T507-G517 WeakPolarHBondContact OG1-CA 3.36Å; T507-G517 PolarHBondContact OG1-N 2.84Å; T507-R546 PolarHBondContact O-NH2 3.22Å; T507-S550 PolarHBondContact OG1-OG 3.25Å; T507-D553 HydrophobicContact CG2-CB 3.9Å; T507-I554 HydrophobicContact CG2-CD1 4.29Å; T507-I554 HydrophobicContact CG2-CG1 3.82Å
508	G	61.5	Low	78.7	Confident	11 Å²	11	52 Å²	52	11%	0.113	31%	0.312	C	S	.	.	S	Bend	trans	-71.1	-157.2	170.6	0	0	0	0	0	113.6	G510 N511 L513 K516 R546	G508-G510 PolarHBondContact O-N 3.07Å; G508-N511 PolarHBondContact O-N 3.14Å; G508-L513 CarbonylContact C-O 3.58Å; G508-L513 VanDerWaalsContact CA-O 3.25Å; G508-L513 WeakPolarHBondContact CA-O 3.48Å; G508-K516 PolarHBondContact N-O 3.38Å; G508-R546 PolarHBondContact O-NH2 2.9Å
509	L	48.6	Very low	78.8	Confident	95 Å²	95	50 Å²	50	50%	0.497	30%	0.297	S	S	.	.	B	Isolated β-bridge	trans	-59.9	135.5	176.5	-164	74.7	0	0	0	109.6	N511 T512 L513	L509-N511 PolarHBondContact O-N 3.26Å; L509-T512 PolarHBondContact O-N 3.15Å; L509-T512 PolarHBondContact O-OG1 3.45Å; L509-L513 HydrophobicContact CB-CB 4.42Å; L509-L513 PolarHBondContact N-O 2.89Å; L509-L513 PolarHBondContact O-N 3.05Å
510	G	47.3	Very low	78.9	Confident	66 Å²	66	42.8 Å²	42.8	68%	0.68	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	11	-174.1	0	0	0	0	0	115.5	G508 T512	G508-G510 PolarHBondContact O-N 3.07Å; G510-T512 PolarHBondContact O-N 2.77Å; G510-T512 VanDerWaalsContact O-N 3.16Å
511	N	51.2	Low	79	Confident	51 Å²	51	39.6 Å²	39.6	27%	0.273	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	16.1	-164	-69.3	9.1	0	0	0	114.5	K506 G508 L509 R546 D553	K506-N511 WeakPolarHBondContact CB-O 3.25Å; G508-N511 PolarHBondContact O-N 3.14Å; L509-N511 PolarHBondContact O-N 3.26Å; N511-R546 PolarHBondContact OD1-NH2 2.9Å; N511-D553 PolarHBondContact ND2-OD2 3.49Å
512	T	36.5	Very low	79	Confident	96 Å²	96	37.4 Å²	37.4	59%	0.589	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-122.4	-30.7	-177	51.7	0	0	0	0	113.7	L509 G510	L509-T512 PolarHBondContact O-N 3.15Å; L509-T512 PolarHBondContact O-OG1 3.45Å; G510-T512 PolarHBondContact O-N 2.77Å; G510-T512 VanDerWaalsContact O-N 3.16Å
513	L	43.4	Very low	79	Confident	115 Å²	115	35.2 Å²	35.2	60%	0.602	22%	0.219	S	C	*	.	B	Isolated β-bridge	trans	-120.8	135.6	-165.9	-166.4	74.4	0	0	0	113.1	G508 L509	G508-L513 CarbonylContact C-O 3.58Å; G508-L513 VanDerWaalsContact CA-O 3.25Å; G508-L513 WeakPolarHBondContact CA-O 3.48Å; L509-L513 HydrophobicContact CB-CB 4.42Å; L509-L513 PolarHBondContact N-O 2.89Å; L509-L513 PolarHBondContact O-N 3.05Å
514	G	58.9	Low	79.1	Confident	38 Å²	38	36.7 Å²	36.7	39%	0.392	22%	0.224	S	C	.	.	S	Bend	trans	94.6	158.6	174.1	0	0	0	0	0	115.4	W481 K516	W481-G514 WeakPolarHBondContact CH2-O 3.16Å; W481-G514 WeakPolarHBondContact CZ3-O 3.43Å; G514-K516 PolarHBondContact O-N 3.18Å
515	N	80.9	Confident	79.1	Confident	70 Å²	70	34.1 Å²	34.1	37%	0.374	21%	0.207	S	C	.	.	S	Bend	trans	-75.4	41.8	-163	75	-12.2	0	0	0	116.4
516	K	90.9	Very high	79	Confident	23 Å²	23	34.6 Å²	34.6	10%	0.1	21%	0.209	C	C	.	.			trans	-130.9	139.9	-174.5	-62.1	-68.3	176.9	-88.4	0	111.6	T507 G508 G514 H536 L537	T507-K516 PolarHBondContact N-O 3Å; G508-K516 PolarHBondContact N-O 3.38Å; G514-K516 PolarHBondContact O-N 3.18Å; K516-H536 WeakPolarHBondContact CA-O 3.33Å; K516-H536 HydrophobicContact CD-CB 4.39Å; K516-H536 VanDerWaalsContact CD-O 3.24Å; K516-H536 WeakPolarHBondContact CD-O 3.43Å; K516-H536 WeakPolarHBondContact CE-CD2 3.39Å; K516-H536 VanDerWaalsContact CE-NE2 3.28Å; K516-H536 WeakPolarHBondContact CE-NE2 3.19Å; K516-H536 PolarHBondContact NZ-CD2 3.16Å; K516-H536 PolarHBondContact NZ-CE1 3.44Å; K516-H536 PolarHBondContact NZ-NE2 2.74Å; K516-L537 WeakPolarHBondContact CD-O 3Å; K516-L537 WeakPolarHBondContact CE-O 3.33Å
517	G	93.6	Very high	79.1	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160.3	-164.8	-168.6	0	0	0	0	0	113.3	V505 T507 C535 H536	V505-G517 CarbonylContact O-C 3.5Å; V505-G517 WeakPolarHBondContact O-CA 3.13Å; T507-G517 WeakPolarHBondContact OG1-CA 3.36Å; T507-G517 PolarHBondContact OG1-N 2.84Å; G517-C535 WeakPolarHBondContact O-CA 3.12Å; G517-C535 WeakPolarHBondContact O-CB 3.5Å; G517-H536 PolarHBondContact N-O 3.22Å; G517-H536 VanDerWaalsContact N-O 3.17Å; G517-H536 PolarHBondContact O-N 3.32Å
518	G	97.3	Very high	79.8	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	152.4	167.1	0	0	0	0	0	112.1	S504 V505 N534	S504-G518 CarbonylContact C-O 3.57Å; S504-G518 VanDerWaalsContact CA-O 3.24Å; S504-G518 WeakPolarHBondContact CA-O 3.34Å; S504-G518 WeakPolarHBondContact CB-O 3.23Å; V505-G518 PolarHBondContact N-O 3.07Å; V505-G518 PolarHBondContact O-N 2.92Å; G518-N534 CarbonylContact C-O 3.57Å; G518-N534 WeakPolarHBondContact CA-O 3.39Å
519	V	98.6	Very high	81.6	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	155	165.5	-66.2	0	0	0	0	108.6	Q478 L480 M483 L485 A503 V533 N534	Q478-V519 HydrophobicContact CB-CB 4.42Å; Q478-V519 HydrophobicContact CG-CB 3.86Å; Q478-V519 HydrophobicContact CG-CG1 4.01Å; L480-V519 HydrophobicContact CB-CG1 3.49Å; L480-V519 VanDerWaalsContact CB-CG1 3.49Å; M483-V519 HydrophobicContact CE-CG1 4.23Å; M483-V519 HydrophobicContact CG-CG2 4.17Å; L485-V519 HydrophobicContact CB-CG2 3.73Å; A503-V519 CarbonylContact O-C 3.55Å; A503-V519 WeakPolarHBondContact O-CA 3.48Å; V519-V533 WeakPolarHBondContact O-CA 3.36Å; V519-N534 HydrophobicContact CG2-CB 3.9Å; V519-N534 PolarHBondContact N-O 3.23Å; V519-N534 PolarHBondContact O-N 3.21Å; V519-N534 VanDerWaalsContact O-O 3.06Å
520	G	98.6	Very high	83.9	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	161.6	173.1	0	0	0	0	0	114.4	T502 A503 F532	T502-G520 WeakPolarHBondContact CA-O 3.4Å; A503-G520 PolarHBondContact N-O 3.41Å; A503-G520 VanDerWaalsContact N-O 3.07Å; A503-G520 PolarHBondContact O-N 3.49Å; G520-F532 CarbonylContact C-O 3.56Å; G520-F532 WeakPolarHBondContact CA-O 3.5Å
521	V	98.8	Very high	86.4	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	134.8	-179.2	174.7	0	0	0	0	107.2	A476 Q478 L485 V487 N501 T502 F532	A476-V521 HydrophobicContact CB-CG1 3.82Å; A476-V521 HydrophobicContact CB-CG2 4.16Å; Q478-V521 HydrophobicContact CB-CG2 4.39Å; L485-V521 HydrophobicContact CD2-CB 4.12Å; L485-V521 HydrophobicContact CD2-CG2 3.94Å; L485-V521 HydrophobicContact CG-CG2 4.09Å; V487-V521 HydrophobicContact CB-CG1 4.27Å; V487-V521 HydrophobicContact CG2-CB 3.89Å; V487-V521 HydrophobicContact CG2-CG1 3.83Å; V487-V521 HydrophobicContact CG2-CG2 4.13Å; N501-V521 WeakPolarHBondContact O-CA 3.32Å; T502-V521 HydrophobicContact CG2-CG2 4.06Å; V521-F532 PolarHBondContact N-O 3.43Å; V521-F532 PolarHBondContact O-N 3.04Å
522	S	98.6	Very high	88.7	Confident	1 Å²	1	22.4 Å²	22.4	1%	0.007	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	149.3	173.4	59.4	0	0	0	0	111.4	V500 N501 F530 G561	V500-S522 CarbonylContact C-O 3.52Å; V500-S522 WeakPolarHBondContact CA-O 3.28Å; N501-S522 PolarHBondContact N-O 2.93Å; N501-S522 PolarHBondContact O-N 2.87Å; S522-F530 CarbonylContact C-O 3.54Å; S522-F530 WeakPolarHBondContact CA-O 3.42Å; S522-F530 VanDerWaalsContact CB-O 3.3Å; S522-F530 WeakPolarHBondContact CB-O 3.33Å; S522-G561 PolarHBondContact OG-N 2.64Å; S522-G561 VanDerWaalsContact OG-N 3.07Å
523	F	98.4	Very high	91.6	Very high	5 Å²	5	17.9 Å²	17.9	2%	0.022	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	166.6	175.3	59.2	-87.7	0	0	0	111	I441 V475 V487 V497 S498 V500 F525 F530 F532	I441-F523 HydrophobicContact CD1-CE2 4.25Å; I441-F523 HydrophobicContact CD1-CZ 4.05Å; I441-F523 HydrophobicContact CG2-CZ 4.29Å; V475-F523 HydrophobicContact CG1-CD1 4.07Å; V475-F523 HydrophobicContact CG1-CG 4.37Å; V487-F523 HydrophobicContact CG1-CE1 3.98Å; V497-F523 HydrophobicContact CG1-CB 4.07Å; V497-F523 HydrophobicContact CG1-CD2 3.88Å; V497-F523 HydrophobicContact CG1-CG 4.08Å; V497-F523 HydrophobicContact CG2-CD2 4.27Å; V497-F523 HydrophobicContact CG2-CE2 4.32Å; S498-F523 WeakPolarHBondContact O-CB 3.13Å; V500-F523 HydrophobicContact CG2-CB 4.03Å; F523-F525 HydrophobicContact CD2-CB 4.47Å; F523-F525 HydrophobicContact CE2-CB 4.22Å; F523-F530 HydrophobicContact CE1-CB 4.33Å; F523-F530 HydrophobicContact CE2-CB 4.22Å; F523-F530 HydrophobicContact CE2-CD2 4.3Å; F523-F530 HydrophobicContact CE2-CG 4.4Å; F523-F530 HydrophobicContact CZ-CB 4.12Å; F523-F530 HydrophobicContact CZ-CG 4.43Å; F523-F530 PolarHBondContact N-O 3.23Å; F523-F530 PolarHBondContact O-N 3.07Å; F523-F532 HydrophobicContact CE1-CD2 4.05Å; F523-F532 AromaticContact CE1-CE2 3.56Å; F523-F532 HydrophobicContact CE1-CE2 3.56Å; F523-F532 AromaticContact CZ-CE2 3.9Å; F523-F532 HydrophobicContact CZ-CE2 3.9Å
524	L	97.1	Very high	94.3	Very high	45 Å²	45	12.4 Å²	12.4	24%	0.236	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	126.8	171.2	-169.8	78.4	0	0	0	109	V497 S498 H499 N526	V497-L524 WeakPolarHBondContact CA-O 3.27Å; S498-L524 PolarHBondContact N-O 3.18Å; S498-L524 PolarHBondContact O-N 2.91Å; H499-L524 HydrophobicContact CB-CB 4.17Å; L524-N526 VanDerWaalsContact CD2-O 3.26Å; L524-N526 WeakPolarHBondContact CD2-O 3.35Å; L524-N526 WeakPolarHBondContact CG-O 3.34Å
525	F	96.6	Very high	96.1	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	109.7	170.6	-171.9	-73.6	0	0	0	108.1	P396 V399 I441 H493 R496 V497 F523 G527 T528 F530 V704	P396-F525 HydrophobicContact CG-CE1 4.15Å; P396-F525 HydrophobicContact CG-CZ 4.41Å; V399-F525 HydrophobicContact CG1-CE1 3.86Å; V399-F525 HydrophobicContact CG1-CE2 4.27Å; V399-F525 HydrophobicContact CG1-CZ 3.65Å; I441-F525 HydrophobicContact CD1-CD2 4.15Å; I441-F525 HydrophobicContact CD1-CE2 4.46Å; H493-F525 HydrophobicContact CB-CE2 3.63Å; H493-F525 HydrophobicContact CB-CZ 3.91Å; H493-F525 AromaticContact CD2-CE2 3.68Å; H493-F525 AromaticContact CD2-CZ 3.64Å; H493-F525 AromaticContact CG-CE2 3.78Å; H493-F525 AromaticContact CG-CZ 3.67Å; R496-F525 HydrophobicContact CB-CE1 4.35Å; R496-F525 HydrophobicContact CB-CE2 4.35Å; R496-F525 HydrophobicContact CB-CZ 4.23Å; R496-F525 WeakPolarHBondContact O-CA 3.3Å; V497-F525 HydrophobicContact CG2-CD2 4.31Å; F523-F525 HydrophobicContact CD2-CB 4.47Å; F523-F525 HydrophobicContact CE2-CB 4.22Å; F525-G527 PolarHBondContact O-N 2.62Å; F525-G527 VanDerWaalsContact O-N 3.08Å; F525-T528 PolarHBondContact N-O 2.82Å; F525-T528 WeakPolarHBondContact O-CB 3.36Å; F525-T528 PolarHBondContact O-N 3.47Å; F525-T528 PolarHBondContact O-OG1 3.12Å; F525-F530 HydrophobicContact CB-CD2 3.92Å; F525-F530 HydrophobicContact CB-CE2 3.81Å; F525-V704 HydrophobicContact CD1-CB 4.4Å; F525-V704 HydrophobicContact CD1-CG1 4.12Å; F525-V704 HydrophobicContact CE1-CG2 4.36Å
526	N	93.1	Very high	97	Very high	20 Å²	20	7.5 Å²	7.5	11%	0.107	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	51	-110.7	-167.9	-69.2	-17.3	0	0	0	111.7	E395 R496 L524 M705 P707	E395-N526 PolarHBondContact OE2-ND2 3.01Å; R496-N526 WeakPolarHBondContact CB-OD1 3.17Å; R496-N526 WeakPolarHBondContact CG-OD1 3.17Å; R496-N526 PolarHBondContact O-N 2.89Å; L524-N526 VanDerWaalsContact CD2-O 3.26Å; L524-N526 WeakPolarHBondContact CD2-O 3.35Å; L524-N526 WeakPolarHBondContact CG-O 3.34Å; N526-M705 WeakPolarHBondContact CB-O 3.45Å; N526-P707 HydrophobicContact CB-CG 3.98Å
527	G	90.6	Very high	97.2	Very high	28 Å²	28	6.4 Å²	6.4	29%	0.289	4%	0.042	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	1.9	173.9	0	0	0	0	0	115.4	F525 M705	F525-G527 PolarHBondContact O-N 2.62Å; F525-G527 VanDerWaalsContact O-N 3.08Å; G527-M705 PolarHBondContact N-O 3.19Å; G527-M705 WeakPolarHBondContact O-CE 3.36Å
528	T	96.5	Very high	97.1	Very high	1 Å²	1	7.6 Å²	7.6	1%	0.006	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	122.7	-164.3	-37.7	0	0	0	0	111.4	F525 F530 T575 V704 M705	F525-T528 PolarHBondContact N-O 2.82Å; F525-T528 WeakPolarHBondContact O-CB 3.36Å; F525-T528 PolarHBondContact O-N 3.47Å; F525-T528 PolarHBondContact O-OG1 3.12Å; T528-F530 HydrophobicContact CG2-CD2 4.48Å; T528-F530 HydrophobicContact CG2-CE2 3.89Å; T528-F530 HydrophobicContact CG2-CZ 4.42Å; T528-T575 HydrophobicContact CG2-CG2 3.92Å; T528-V704 HydrophobicContact CG2-CG1 4.17Å; T528-V704 WeakPolarHBondContact OG1-CA 3.24Å; T528-V704 WeakPolarHBondContact OG1-CB 3.46Å; T528-M705 HydrophobicContact CG2-CE 4.48Å; T528-M705 PolarHBondContact OG1-N 3.44Å
529	S	97.5	Very high	96.8	Very high	24 Å²	24	9.8 Å²	9.8	17%	0.168	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	125	-177.8	60.3	0	0	0	0	112.3	R573 F574 T575 H576	S529-R573 PolarHBondContact OG-O 2.78Å; S529-F574 WeakPolarHBondContact OG-CA 3.26Å; S529-T575 PolarHBondContact N-OG1 2.96Å; S529-T575 VanDerWaalsContact N-OG1 3.13Å; S529-T575 WeakPolarHBondContact O-CB 3.38Å; S529-T575 PolarHBondContact O-N 3.32Å; S529-T575 PolarHBondContact OG-N 2.83Å; S529-T575 PolarHBondContact OG-OG1 2.99Å; S529-H576 PolarHBondContact O-N 3.36Å
530	F	98.7	Very high	96.1	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	134.4	179.7	-76.5	-93.4	0	0	0	110.6	V399 V401 S522 F523 F525 T528 F532 H576 F578 V702 V704	V399-F530 HydrophobicContact CG2-CZ 4.21Å; V401-F530 HydrophobicContact CG2-CE1 4.06Å; S522-F530 CarbonylContact C-O 3.54Å; S522-F530 WeakPolarHBondContact CA-O 3.42Å; S522-F530 VanDerWaalsContact CB-O 3.3Å; S522-F530 WeakPolarHBondContact CB-O 3.33Å; F523-F530 HydrophobicContact CE1-CB 4.33Å; F523-F530 HydrophobicContact CE2-CB 4.22Å; F523-F530 HydrophobicContact CE2-CD2 4.3Å; F523-F530 HydrophobicContact CE2-CG 4.4Å; F523-F530 HydrophobicContact CZ-CB 4.12Å; F523-F530 HydrophobicContact CZ-CG 4.43Å; F523-F530 PolarHBondContact N-O 3.23Å; F523-F530 PolarHBondContact O-N 3.07Å; F525-F530 HydrophobicContact CB-CD2 3.92Å; F525-F530 HydrophobicContact CB-CE2 3.81Å; T528-F530 HydrophobicContact CG2-CD2 4.48Å; T528-F530 HydrophobicContact CG2-CE2 3.89Å; T528-F530 HydrophobicContact CG2-CZ 4.42Å; F530-F532 HydrophobicContact CB-CE2 3.87Å; F530-F532 HydrophobicContact CD1-CE2 4.24Å; F530-F532 HydrophobicContact CD1-CZ 4.1Å; F530-F532 HydrophobicContact CG-CE2 4.45Å; F530-H576 WeakPolarHBondContact CA-O 3.29Å; F530-H576 HydrophobicContact CD1-CB 4.19Å; F530-H576 HydrophobicContact CE1-CB 4.23Å; F530-F578 HydrophobicContact CD1-CE2 4.03Å; F530-F578 HydrophobicContact CE1-CE2 4.18Å; F530-V702 HydrophobicContact CE1-CB 4.49Å; F530-V702 HydrophobicContact CE1-CG1 3.94Å; F530-V702 HydrophobicContact CZ-CB 4.42Å; F530-V702 HydrophobicContact CZ-CG1 3.8Å; F530-V704 HydrophobicContact CE2-CG1 4.03Å; F530-V704 HydrophobicContact CZ-CG1 4.06Å
531	G	98.6	Very high	95.5	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	139.1	169	0	0	0	0	0	110.8	H576 L577 F578	G531-H576 PolarHBondContact N-O 3.15Å; G531-L577 CarbonylContact O-C 3.6Å; G531-L577 WeakPolarHBondContact O-CA 3.32Å; G531-F578 PolarHBondContact O-N 2.95Å
532	F	98.9	Very high	94.9	Very high	4 Å²	4	17.2 Å²	17.2	2%	0.018	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	125.8	176.4	-62.6	-90.2	0	0	0	108.9	V401 V403 I441 A443 L485 G520 V521 F523 F530 F578	V401-F532 HydrophobicContact CG1-CE1 3.82Å; V401-F532 HydrophobicContact CG1-CZ 3.85Å; V403-F532 HydrophobicContact CG2-CD1 4.36Å; V403-F532 HydrophobicContact CG2-CE1 4.05Å; I441-F532 HydrophobicContact CG2-CZ 4.13Å; A443-F532 HydrophobicContact CB-CD1 3.36Å; A443-F532 HydrophobicContact CB-CE1 3.61Å; A443-F532 HydrophobicContact CB-CG 3.95Å; A443-F532 HydrophobicContact CB-CZ 4.36Å; L485-F532 HydrophobicContact CD2-CB 3.87Å; L485-F532 WeakPolarHBondContact CD2-O 3.36Å; G520-F532 CarbonylContact C-O 3.56Å; G520-F532 WeakPolarHBondContact CA-O 3.5Å; V521-F532 PolarHBondContact N-O 3.43Å; V521-F532 PolarHBondContact O-N 3.04Å; F523-F532 HydrophobicContact CE1-CD2 4.05Å; F523-F532 AromaticContact CE1-CE2 3.56Å; F523-F532 HydrophobicContact CE1-CE2 3.56Å; F523-F532 AromaticContact CZ-CE2 3.9Å; F523-F532 HydrophobicContact CZ-CE2 3.9Å; F530-F532 HydrophobicContact CB-CE2 3.87Å; F530-F532 HydrophobicContact CD1-CE2 4.24Å; F530-F532 HydrophobicContact CD1-CZ 4.1Å; F530-F532 HydrophobicContact CG-CE2 4.45Å; F532-F578 CarbonylContact C-O 3.48Å; F532-F578 WeakPolarHBondContact CA-O 3.4Å; F532-F578 HydrophobicContact CD1-CB 3.76Å; F532-F578 AromaticContact CD1-CD2 3.87Å; F532-F578 HydrophobicContact CD1-CD2 3.87Å; F532-F578 HydrophobicContact CD1-CG 4.11Å; F532-F578 HydrophobicContact CE1-CB 4.12Å; F532-F578 AromaticContact CE1-CD2 3.42Å; F532-F578 HydrophobicContact CE1-CD2 3.42Å; F532-F578 VanDerWaalsContact CE1-CD2 3.42Å; F532-F578 HydrophobicContact CE1-CE2 4.09Å; F532-F578 AromaticContact CE1-CG 3.94Å; F532-F578 HydrophobicContact CE1-CG 3.94Å; F532-F578 AromaticContact CZ-CD2 3.9Å; F532-F578 HydrophobicContact CZ-CD2 3.9Å; F532-F578 HydrophobicContact CZ-CE2 4.26Å
533	V	98.9	Very high	94.5	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.006	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	134.2	174.4	-177.8	0	0	0	0	109.4	V519 I554 L558 I570 L577 F578 W579 C580	V519-V533 WeakPolarHBondContact O-CA 3.36Å; V533-I554 HydrophobicContact CG1-CG2 4.2Å; V533-L558 HydrophobicContact CB-CD2 4.39Å; V533-L558 HydrophobicContact CG1-CD2 3.93Å; V533-L558 HydrophobicContact CG2-CD2 3.65Å; V533-I570 HydrophobicContact CG2-CD1 3.93Å; V533-L577 HydrophobicContact CG2-CD1 4.06Å; V533-F578 PolarHBondContact N-O 3.37Å; V533-W579 HydrophobicContact CB-CB 4.47Å; V533-W579 HydrophobicContact CB-CD2 3.92Å; V533-W579 HydrophobicContact CB-CE3 4.25Å; V533-W579 HydrophobicContact CB-CG 4.01Å; V533-W579 HydrophobicContact CG1-CD2 3.87Å; V533-W579 HydrophobicContact CG1-CE3 4.33Å; V533-W579 HydrophobicContact CG1-CG 4.24Å; V533-W579 HydrophobicContact CG1-CZ2 4.06Å; V533-W579 HydrophobicContact CG2-CD2 4.39Å; V533-W579 HydrophobicContact CG2-CE3 4.2Å; V533-W579 WeakPolarHBondContact O-CA 3.17Å; V533-C580 PolarHBondContact O-N 2.63Å; V533-C580 PolarHBondContact O-SG 2.79Å
534	N	98.8	Very high	94.3	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	132.2	165.9	172	27.5	0	0	0	108.6	G445 T446 Q447 R484 L485 G518 V519 C580	G445-N534 WeakPolarHBondContact CA-ND2 3.46Å; T446-N534 PolarHBondContact N-ND2 3.44Å; T446-N534 VanDerWaalsContact N-ND2 3.18Å; T446-N534 PolarHBondContact O-ND2 3.41Å; Q447-N534 PolarHBondContact NE2-OD1 3.15Å; R484-N534 PolarHBondContact O-ND2 3.04Å; L485-N534 HydrophobicContact CB-CB 4.05Å; L485-N534 HydrophobicContact CD1-CB 4.44Å; L485-N534 HydrophobicContact CD2-CB 4.45Å; G518-N534 CarbonylContact C-O 3.57Å; G518-N534 WeakPolarHBondContact CA-O 3.39Å; V519-N534 HydrophobicContact CG2-CB 3.9Å; V519-N534 PolarHBondContact N-O 3.23Å; V519-N534 PolarHBondContact O-N 3.21Å; V519-N534 VanDerWaalsContact O-O 3.06Å; N534-C580 WeakPolarHBondContact CA-O 3.27Å
535	C	98.4	Very high	94	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	163.9	174.9	68.4	0	0	0	0	114.9	M483 G517 L537 I554 W579 C580 G581 D582 L583	M483-C535 VanDerWaalsContact SD-CA 3.6Å; G517-C535 WeakPolarHBondContact O-CA 3.12Å; G517-C535 WeakPolarHBondContact O-CB 3.5Å; C535-L537 HydrophobicContact CB-CD2 4.06Å; C535-I554 HydrophobicContact CB-CD1 3.8Å; C535-W579 PolarHBondContact SG-NE1 3.31Å; C535-C580 PolarHBondContact N-O 3.49Å; C535-C580 VanDerWaalsContact N-O 3.09Å; C535-G581 CarbonylContact O-C 3.57Å; C535-G581 WeakPolarHBondContact O-CA 3.07Å; C535-D582 PolarHBondContact O-N 3.05Å; C535-L583 WeakPolarHBondContact SG-CD2 3.32Å
536	H	97.9	Very high	93.6	Very high	5 Å²	5	29.3 Å²	29.3	2%	0.023	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	105.1	168.6	-170.1	163.5	0	0	0	107.2	Q447 E448 M483 K516 G517 D582	Q447-H536 HydrophobicContact CB-CB 4.24Å; Q447-H536 HydrophobicContact CG-CB 3.97Å; E448-H536 IonicContact OE1-CE1 3.43Å; E448-H536 PolarHBondContact OE1-CE1 2.54Å; M483-H536 HydrophobicContact SD-CB 3.95Å; M483-H536 PolarHBondContact SD-N 3.35Å; M483-H536 VanDerWaalsContact SD-N 3.36Å; K516-H536 WeakPolarHBondContact CA-O 3.33Å; K516-H536 HydrophobicContact CD-CB 4.39Å; K516-H536 VanDerWaalsContact CD-O 3.24Å; K516-H536 WeakPolarHBondContact CD-O 3.43Å; K516-H536 WeakPolarHBondContact CE-CD2 3.39Å; K516-H536 VanDerWaalsContact CE-NE2 3.28Å; K516-H536 WeakPolarHBondContact CE-NE2 3.19Å; K516-H536 PolarHBondContact NZ-CD2 3.16Å; K516-H536 PolarHBondContact NZ-CE1 3.44Å; K516-H536 PolarHBondContact NZ-NE2 2.74Å; G517-H536 PolarHBondContact N-O 3.22Å; G517-H536 VanDerWaalsContact N-O 3.17Å; G517-H536 PolarHBondContact O-N 3.32Å; H536-D582 WeakPolarHBondContact CA-O 3.33Å; H536-D582 IonicContact NE2-OD2 2.77Å
537	L	96.1	Very high	93.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-92.7	166.3	-175.8	-53.2	-174.2	0	0	0	112.5	K516 C535 S539 R547 I554 D582 L583 Y585	K516-L537 WeakPolarHBondContact CD-O 3Å; K516-L537 WeakPolarHBondContact CE-O 3.33Å; C535-L537 HydrophobicContact CB-CD2 4.06Å; L537-S539 PolarHBondContact O-N 2.89Å; L537-R547 HydrophobicContact CB-CG 4.05Å; L537-R547 HydrophobicContact CD1-CB 4.42Å; L537-I554 HydrophobicContact CD2-CD1 3.81Å; L537-D582 PolarHBondContact N-O 3.44Å; L537-L583 HydrophobicContact CD1-CB 4.18Å; L537-L583 HydrophobicContact CD1-CD2 4.14Å; L537-L583 HydrophobicContact CG-CD2 4.42Å; L537-Y585 HydrophobicContact CD1-CE2 4.08Å
538	T	92	Very high	93.9	Very high	25 Å²	25	27.7 Å²	27.7	15%	0.153	15%	0.149	C	C	.	.	P	Polyproline II helix	trans	-59.9	131.1	-176.1	-53.7	0	0	0	0	112.6	K543 R546 R547	T538-K543 HydrophobicContact CG2-CB 3.94Å; T538-K543 HydrophobicContact CG2-CD 3.96Å; T538-K543 HydrophobicContact CG2-CG 4.45Å; T538-R546 HydrophobicContact CG2-CB 4.46Å; T538-R546 HydrophobicContact CG2-CG 4.03Å; T538-R546 VanDerWaalsContact OG1-CG 3.31Å; T538-R546 WeakPolarHBondContact OG1-CG 3.36Å; T538-R547 WeakPolarHBondContact O-CD 3.14Å; T538-R547 VanDerWaalsContact O-CG 3.23Å; T538-R547 WeakPolarHBondContact O-CG 3.41Å; T538-R547 PolarHBondContact O-NH1 3.37Å
539	S	89.6	Confident	93.5	Very high	46 Å²	46	31.7 Å²	31.7	32%	0.322	17%	0.168	S	C	.	.	P	Polyproline II helix	trans	-90.8	153	-176.5	58.4	0	0	0	0	114	L537 N584	L537-S539 PolarHBondContact O-N 2.89Å; S539-N584 VanDerWaalsContact CA-OD1 3.3Å; S539-N584 WeakPolarHBondContact CA-OD1 3.23Å; S539-N584 WeakPolarHBondContact CB-OD1 3.4Å
540	G	85.5	Confident	93.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.16	C	C	.	.	S	Bend	trans	117	137.8	-177.2	0	0	0	0	0	112.5	D542 K543 R547 R657	G540-D542 VanDerWaalsContact C-N 3.29Å; G540-D542 WeakPolarHBondContact CA-OD1 3.44Å; G540-D542 PolarHBondContact O-N 2.84Å; G540-K543 PolarHBondContact O-N 2.88Å; G540-R547 VanDerWaalsContact O-CZ 3.25Å; G540-R547 PolarHBondContact O-NH1 2.98Å; G540-R547 PolarHBondContact O-NH2 3.41Å; G540-R657 VanDerWaalsContact CA-NH2 3.26Å
541	S	85.4	Confident	93.1	Very high	55 Å²	55	30.7 Å²	30.7	39%	0.385	16%	0.161	S	C	.	.	S	Bend	trans	-57	-44.3	179.6	36.6	0	0	0	0	111.9	K543 R547 Q611	S541-K543 VanDerWaalsContact C-N 3.34Å; S541-K543 PolarHBondContact O-N 3.09Å; S541-R547 PolarHBondContact O-NH2 2.87Å; S541-Q611 PolarHBondContact O-NE2 2.67Å
542	D	86.5	Confident	92.8	Very high	101 Å²	101	32.1 Å²	32.1	54%	0.54	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-35	176.3	59	-52.1	0	0	0	115	G540 V544 R657	G540-D542 VanDerWaalsContact C-N 3.29Å; G540-D542 WeakPolarHBondContact CA-OD1 3.44Å; G540-D542 PolarHBondContact O-N 2.84Å; D542-V544 PolarHBondContact O-N 3.37Å; D542-R657 IonicContact OD1-NH2 2.74Å
543	K	89.8	Confident	92.5	Very high	56 Å²	56	32.7 Å²	32.7	24%	0.243	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	31.4	-164.5	-49.9	-156.1	175.4	-166.8	0	115.5	T538 G540 S541 L545 R546 R547	T538-K543 HydrophobicContact CG2-CB 3.94Å; T538-K543 HydrophobicContact CG2-CD 3.96Å; T538-K543 HydrophobicContact CG2-CG 4.45Å; G540-K543 PolarHBondContact O-N 2.88Å; S541-K543 VanDerWaalsContact C-N 3.34Å; S541-K543 PolarHBondContact O-N 3.09Å; K543-L545 PolarHBondContact O-N 2.85Å; K543-R546 HydrophobicContact CB-CB 4.48Å; K543-R546 PolarHBondContact O-N 3.07Å; K543-R547 PolarHBondContact O-N 2.78Å; K543-R547 VanDerWaalsContact O-N 3.09Å
544	V	93.9	Very high	92.3	Very high	24 Å²	24	32.7 Å²	32.7	15%	0.145	17%	0.172	C	C	.	.	H	α-helix	trans	-54.2	-51	179.9	-177.9	0	0	0	0	112	D542 R546 R547 N548 Y585 Q611 E615	D542-V544 PolarHBondContact O-N 3.37Å; V544-R546 VanDerWaalsContact C-N 3.25Å; V544-R546 PolarHBondContact O-N 2.9Å; V544-R547 WeakPolarHBondContact O-CB 3.49Å; V544-R547 PolarHBondContact O-N 3.44Å; V544-N548 PolarHBondContact O-N 2.97Å; V544-N548 PolarHBondContact O-OD1 2.84Å; V544-Y585 HydrophobicContact CG1-CE1 4.4Å; V544-Q611 HydrophobicContact CG2-CB 4.44Å; V544-Q611 HydrophobicContact CG2-CG 4Å; V544-E615 HydrophobicContact CG1-CG 3.7Å
545	L	90.3	Very high	92.1	Very high	140 Å²	140	32.8 Å²	32.8	73%	0.733	17%	0.173	S	C	*	.	H	α-helix	trans	-62.3	-33.6	-177.3	-62.8	177.7	0	0	0	112.2	K543 N548 Q549	K543-L545 PolarHBondContact O-N 2.85Å; L545-N548 PolarHBondContact O-N 3.49Å; L545-Q549 PolarHBondContact O-N 2.82Å
546	R	88.8	Confident	91.6	Very high	86 Å²	86	37.8 Å²	37.8	33%	0.325	19%	0.192	S	C	.	.	H	α-helix	trans	-71.8	-35.3	174.5	-175.4	63.8	-173	178.9	5.4	111.8	T507 G508 N511 T538 K543 V544 Q549 S550	T507-R546 PolarHBondContact O-NH2 3.22Å; G508-R546 PolarHBondContact O-NH2 2.9Å; N511-R546 PolarHBondContact OD1-NH2 2.9Å; T538-R546 HydrophobicContact CG2-CB 4.46Å; T538-R546 HydrophobicContact CG2-CG 4.03Å; T538-R546 VanDerWaalsContact OG1-CG 3.31Å; T538-R546 WeakPolarHBondContact OG1-CG 3.36Å; K543-R546 HydrophobicContact CB-CB 4.48Å; K543-R546 PolarHBondContact O-N 3.07Å; V544-R546 VanDerWaalsContact C-N 3.25Å; V544-R546 PolarHBondContact O-N 2.9Å; R546-Q549 PolarHBondContact O-N 3.35Å; R546-S550 WeakPolarHBondContact O-CB 3.25Å; R546-S550 PolarHBondContact O-N 3.07Å; R546-S550 PolarHBondContact O-OG 3.4Å; R546-S550 VanDerWaalsContact O-OG 3.1Å
547	R	95.3	Very high	91.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-63.6	-43.4	171.1	-70.3	-175	-81.7	-77.1	7.5	112.3	L537 T538 G540 S541 K543 V544 Q549 S550 F551 L583 Y585	L537-R547 HydrophobicContact CB-CG 4.05Å; L537-R547 HydrophobicContact CD1-CB 4.42Å; T538-R547 WeakPolarHBondContact O-CD 3.14Å; T538-R547 VanDerWaalsContact O-CG 3.23Å; T538-R547 WeakPolarHBondContact O-CG 3.41Å; T538-R547 PolarHBondContact O-NH1 3.37Å; G540-R547 VanDerWaalsContact O-CZ 3.25Å; G540-R547 PolarHBondContact O-NH1 2.98Å; G540-R547 PolarHBondContact O-NH2 3.41Å; S541-R547 PolarHBondContact O-NH2 2.87Å; K543-R547 PolarHBondContact O-N 2.78Å; K543-R547 VanDerWaalsContact O-N 3.09Å; V544-R547 WeakPolarHBondContact O-CB 3.49Å; V544-R547 PolarHBondContact O-N 3.44Å; R547-Q549 VanDerWaalsContact C-N 3.34Å; R547-Q549 PolarHBondContact O-N 3.23Å; R547-S550 PolarHBondContact O-N 3.17Å; R547-F551 PolarHBondContact O-N 2.95Å; R547-L583 WeakPolarHBondContact CD-O 3.37Å; R547-Y585 HydrophobicContact CB-CE1 3.85Å; R547-Y585 HydrophobicContact CB-CE2 4.08Å
548	N	93.8	Very high	91.2	Very high	13 Å²	13	42.7 Å²	42.7	7%	0.07	22%	0.218	C	C	.	.	H	α-helix	trans	-58.7	-46.5	174.1	-65.6	-2.9	0	0	0	110.6	V544 L545 F551 V552 Y585 E615	V544-N548 PolarHBondContact O-N 2.97Å; V544-N548 PolarHBondContact O-OD1 2.84Å; L545-N548 PolarHBondContact O-N 3.49Å; N548-F551 WeakPolarHBondContact O-CB 3.28Å; N548-F551 PolarHBondContact O-N 2.87Å; N548-V552 PolarHBondContact O-N 2.67Å; N548-V552 VanDerWaalsContact O-N 3.09Å; N548-Y585 PolarHBondContact OD1-OH 2.83Å; N548-E615 PolarHBondContact ND2-OE2 2.75Å
549	Q	89.5	Confident	91.2	Very high	85 Å²	85	45.2 Å²	45.2	40%	0.397	24%	0.236	S	C	.	.	H	α-helix	trans	-63.3	-46.1	176.6	-172.3	63.4	55.6	0	0	112.3	L545 R546 R547 F551 V552 D553	L545-Q549 PolarHBondContact O-N 2.82Å; R546-Q549 PolarHBondContact O-N 3.35Å; R547-Q549 VanDerWaalsContact C-N 3.34Å; R547-Q549 PolarHBondContact O-N 3.23Å; Q549-F551 VanDerWaalsContact C-N 3.26Å; Q549-F551 PolarHBondContact O-N 2.86Å; Q549-V552 PolarHBondContact O-N 2.72Å; Q549-D553 PolarHBondContact NE2-OD1 2.97Å; Q549-D553 VanDerWaalsContact O-CG 3.32Å; Q549-D553 PolarHBondContact O-N 3.42Å
550	S	91.8	Very high	91.4	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-60.7	-34.3	176.9	-67.1	0	0	0	0	112.3	T507 R546 R547 I554	T507-S550 PolarHBondContact OG1-OG 3.25Å; R546-S550 WeakPolarHBondContact O-CB 3.25Å; R546-S550 PolarHBondContact O-N 3.07Å; R546-S550 PolarHBondContact O-OG 3.4Å; R546-S550 VanDerWaalsContact O-OG 3.1Å; R547-S550 PolarHBondContact O-N 3.17Å; S550-I554 WeakPolarHBondContact O-CD1 3.35Å; S550-I554 WeakPolarHBondContact O-CG1 3.2Å; S550-I554 PolarHBondContact O-N 3Å
551	F	95.9	Very high	91.7	Very high	4 Å²	4	44 Å²	44	2%	0.018	23%	0.23	C	C	.	.	H	α-helix	trans	-62.8	-48.1	170.5	159.3	-99.1	0	0	0	111.6	R547 N548 Q549 D553 I554 L555 W579 A621 F622 F625	R547-F551 PolarHBondContact O-N 2.95Å; N548-F551 WeakPolarHBondContact O-CB 3.28Å; N548-F551 PolarHBondContact O-N 2.87Å; Q549-F551 VanDerWaalsContact C-N 3.26Å; Q549-F551 PolarHBondContact O-N 2.86Å; F551-D553 PolarHBondContact O-N 3.41Å; F551-I554 PolarHBondContact O-N 3.13Å; F551-L555 HydrophobicContact CE1-CD2 4.11Å; F551-L555 HydrophobicContact CZ-CD2 3.89Å; F551-L555 WeakPolarHBondContact O-CB 3.35Å; F551-L555 PolarHBondContact O-N 2.87Å; F551-W579 AromaticContact CD2-CH2 3.68Å; F551-W579 HydrophobicContact CD2-CH2 3.68Å; F551-W579 AromaticContact CD2-CZ2 3.84Å; F551-W579 HydrophobicContact CD2-CZ2 3.84Å; F551-W579 HydrophobicContact CD2-CZ3 4.13Å; F551-W579 HydrophobicContact CE2-CE3 4.34Å; F551-W579 AromaticContact CE2-CH2 3.9Å; F551-W579 HydrophobicContact CE2-CH2 3.9Å; F551-W579 HydrophobicContact CE2-CZ2 4.4Å; F551-W579 AromaticContact CE2-CZ3 3.88Å; F551-W579 HydrophobicContact CE2-CZ3 3.88Å; F551-A621 HydrophobicContact CD1-CB 3.99Å; F551-A621 HydrophobicContact CE1-CB 4.5Å; F551-A621 HydrophobicContact CG-CB 4.42Å; F551-F622 HydrophobicContact CB-CE2 4.22Å; F551-F622 AromaticContact CD2-CD1 3.84Å; F551-F622 HydrophobicContact CD2-CD1 3.84Å; F551-F622 AromaticContact CD2-CD2 3.95Å; F551-F622 HydrophobicContact CD2-CD2 3.95Å; F551-F622 AromaticContact CD2-CE1 3.59Å; F551-F622 HydrophobicContact CD2-CE1 3.59Å; F551-F622 AromaticContact CD2-CE2 3.7Å; F551-F622 HydrophobicContact CD2-CE2 3.7Å; F551-F622 HydrophobicContact CD2-CG 4.02Å; F551-F622 AromaticContact CD2-CZ 3.51Å; F551-F622 HydrophobicContact CD2-CZ 3.51Å; F551-F622 AromaticContact CE2-CD1 3.56Å; F551-F622 HydrophobicContact CE2-CD1 3.56Å; F551-F622 HydrophobicContact CE2-CD2 4.24Å; F551-F622 AromaticContact CE2-CE1 3.71Å; F551-F622 HydrophobicContact CE2-CE1 3.71Å; F551-F622 HydrophobicContact CE2-CE2 4.36Å; F551-F622 AromaticContact CE2-CG 3.84Å; F551-F622 HydrophobicContact CE2-CG 3.84Å; F551-F622 HydrophobicContact CE2-CZ 4.12Å; F551-F622 HydrophobicContact CG-CD2 4.23Å; F551-F622 HydrophobicContact CG-CE2 4.03Å; F551-F622 HydrophobicContact CG-CZ 4.25Å; F551-F622 HydrophobicContact CZ-CD1 4.37Å; F551-F622 HydrophobicContact CZ-CG 4.33Å; F551-F622 VanDerWaalsContact CZ-N 3.27Å; F551-F625 HydrophobicContact CE2-CE2 4.43Å; F551-F625 HydrophobicContact CZ-CE2 4.4Å
552	V	92.9	Very high	91.8	Very high	30 Å²	30	45 Å²	45	18%	0.182	23%	0.232	C	C	.	.	H	α-helix	trans	-63.1	-40.6	177.5	172.2	0	0	0	0	111.7	N548 Q549 L555 R556	N548-V552 PolarHBondContact O-N 2.67Å; N548-V552 VanDerWaalsContact O-N 3.09Å; Q549-V552 PolarHBondContact O-N 2.72Å; V552-L555 PolarHBondContact O-N 2.78Å; V552-R556 HydrophobicContact CG1-CG 4.35Å; V552-R556 WeakPolarHBondContact O-CB 3.48Å; V552-R556 WeakPolarHBondContact O-CG 3.46Å; V552-R556 PolarHBondContact O-N 2.95Å
553	D	91.1	Very high	91.5	Very high	16 Å²	16	48.3 Å²	48.3	9%	0.086	24%	0.241	C	C	.	.	H	α-helix	trans	-63.5	-46.6	177.9	-69.9	-3.1	0	0	0	110.9	T507 N511 Q549 F551 R556 L557	T507-D553 HydrophobicContact CG2-CB 3.9Å; N511-D553 PolarHBondContact ND2-OD2 3.49Å; Q549-D553 PolarHBondContact NE2-OD1 2.97Å; Q549-D553 VanDerWaalsContact O-CG 3.32Å; Q549-D553 PolarHBondContact O-N 3.42Å; F551-D553 PolarHBondContact O-N 3.41Å; D553-R556 PolarHBondContact O-N 3.27Å; D553-L557 VanDerWaalsContact O-CB 3.24Å; D553-L557 WeakPolarHBondContact O-CB 3.29Å; D553-L557 VanDerWaalsContact O-CG 3.24Å; D553-L557 WeakPolarHBondContact O-CG 3.27Å; D553-L557 PolarHBondContact O-N 3.37Å
554	I	95.6	Very high	91.2	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-64	-46	175.4	-64.3	161.5	0	0	0	110.7	V505 T507 V533 C535 L537 S550 F551 R556 L557 L558 W579	V505-I554 HydrophobicContact CB-CG1 4.26Å; V505-I554 HydrophobicContact CG1-CG1 4.22Å; T507-I554 HydrophobicContact CG2-CD1 4.29Å; T507-I554 HydrophobicContact CG2-CG1 3.82Å; V533-I554 HydrophobicContact CG1-CG2 4.2Å; C535-I554 HydrophobicContact CB-CD1 3.8Å; L537-I554 HydrophobicContact CD2-CD1 3.81Å; S550-I554 WeakPolarHBondContact O-CD1 3.35Å; S550-I554 WeakPolarHBondContact O-CG1 3.2Å; S550-I554 PolarHBondContact O-N 3Å; F551-I554 PolarHBondContact O-N 3.13Å; I554-R556 PolarHBondContact O-N 3.2Å; I554-L557 PolarHBondContact O-N 3.04Å; I554-L558 HydrophobicContact CG2-CB 4.21Å; I554-L558 HydrophobicContact CG2-CD2 4.01Å; I554-L558 WeakPolarHBondContact O-CB 3.44Å; I554-L558 PolarHBondContact O-N 3.09Å; I554-W579 HydrophobicContact CB-CH2 3.89Å; I554-W579 HydrophobicContact CB-CZ2 3.98Å; I554-W579 HydrophobicContact CD1-CZ2 4.4Å; I554-W579 HydrophobicContact CG2-CH2 3.57Å; I554-W579 HydrophobicContact CG2-CZ2 3.63Å
555	L	94.4	Very high	90.8	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.01	26%	0.262	C	S	.	.	H	α-helix	trans	-56.1	-37.5	-180	176.5	67.7	0	0	0	112.6	F551 V552 D569 I570 W579	F551-L555 HydrophobicContact CE1-CD2 4.11Å; F551-L555 HydrophobicContact CZ-CD2 3.89Å; F551-L555 WeakPolarHBondContact O-CB 3.35Å; F551-L555 PolarHBondContact O-N 2.87Å; V552-L555 PolarHBondContact O-N 2.78Å; L555-D569 HydrophobicContact CD1-CB 4.33Å; L555-D569 WeakPolarHBondContact CD1-OD1 3.13Å; L555-D569 HydrophobicContact CG-CB 4.22Å; L555-I570 HydrophobicContact CD1-CG1 3.83Å; L555-W579 HydrophobicContact CB-CH2 4.3Å; L555-W579 HydrophobicContact CB-CZ3 4.42Å; L555-W579 HydrophobicContact CD1-CZ3 4.33Å
556	R	88.6	Confident	90.1	Very high	106 Å²	106	50.1 Å²	50.1	40%	0.4	26%	0.255	S	S	.	.	H	α-helix	trans	-86.6	-36.5	-177.8	-69	173.6	64.6	-177.2	-5.6	114.2	V552 D553 I554 R832	V552-R556 HydrophobicContact CG1-CG 4.35Å; V552-R556 WeakPolarHBondContact O-CB 3.48Å; V552-R556 WeakPolarHBondContact O-CG 3.46Å; V552-R556 PolarHBondContact O-N 2.95Å; D553-R556 PolarHBondContact O-N 3.27Å; I554-R556 PolarHBondContact O-N 3.2Å; R556-R832 HydrophobicContact CG-CB 4.02Å; R556-R832 HydrophobicContact CG-CG 4.1Å
557	L	90.5	Very high	89.6	Confident	106 Å²	106	47.6 Å²	47.6	56%	0.555	25%	0.252	S	S	*	.	H	α-helix	trans	-100.4	-15.6	-168.1	-58.7	173.8	0	0	0	113.7	V505 D553 I554 S559	V505-L557 HydrophobicContact CG1-CB 3.98Å; V505-L557 HydrophobicContact CG1-CD1 4.15Å; V505-L557 VanDerWaalsContact CG2-C 3.43Å; V505-L557 HydrophobicContact CG2-CB 3.68Å; D553-L557 VanDerWaalsContact O-CB 3.24Å; D553-L557 WeakPolarHBondContact O-CB 3.29Å; D553-L557 VanDerWaalsContact O-CG 3.24Å; D553-L557 WeakPolarHBondContact O-CG 3.27Å; D553-L557 PolarHBondContact O-N 3.37Å; I554-L557 PolarHBondContact O-N 3.04Å; L557-S559 PolarHBondContact O-N 3.49Å
558	L	93.5	Very high	89.4	Confident	2 Å²	2	47.7 Å²	47.7	1%	0.01	25%	0.253	C	S	.	.			trans	-78.7	90.2	-176.2	-169.2	71.9	0	0	0	110.5	A503 V505 V533 I554 L560 I570	A503-L558 HydrophobicContact CB-CD1 3.7Å; A503-L558 HydrophobicContact CB-CG 4.13Å; V505-L558 VanDerWaalsContact CG2-CA 3.5Å; V505-L558 HydrophobicContact CG2-CB 3.72Å; V505-L558 HydrophobicContact CG2-CD1 3.85Å; V505-L558 HydrophobicContact CG2-CG 4.42Å; V505-L558 VanDerWaalsContact CG2-N 3.34Å; V533-L558 HydrophobicContact CB-CD2 4.39Å; V533-L558 HydrophobicContact CG1-CD2 3.93Å; V533-L558 HydrophobicContact CG2-CD2 3.65Å; I554-L558 HydrophobicContact CG2-CB 4.21Å; I554-L558 HydrophobicContact CG2-CD2 4.01Å; I554-L558 WeakPolarHBondContact O-CB 3.44Å; I554-L558 PolarHBondContact O-N 3.09Å; L558-L560 VanDerWaalsContact C-N 3.32Å; L558-L560 HydrophobicContact CD2-CD1 3.62Å; L558-L560 HydrophobicContact CD2-CG 4.41Å; L558-L560 HydrophobicContact CG-CD1 3.83Å; L558-L560 HydrophobicContact CG-CG 4.07Å; L558-L560 PolarHBondContact O-N 3Å; L558-I570 HydrophobicContact CB-CD1 4.32Å; L558-I570 HydrophobicContact CD2-CD1 3.96Å; L558-I570 WeakPolarHBondContact O-CG2 3.2Å
559	S	93.3	Very high	89.3	Confident	78 Å²	78	47.7 Å²	47.7	55%	0.545	25%	0.253	S	S	.	.			trans	-74.4	76.2	-171.5	-159.7	0	0	0	0	113.9	N501 L557	N501-S559 PolarHBondContact ND2-O 3.32Å; L557-S559 PolarHBondContact O-N 3.49Å
560	L	93.4	Very high	89.6	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.234	C	C	.	.			trans	-106.1	165.7	177.6	-66.3	171.4	0	0	0	112.7	A503 L558 I570 R573 F574	A503-L560 HydrophobicContact CB-CD2 3.65Å; A503-L560 HydrophobicContact CB-CG 3.92Å; L558-L560 VanDerWaalsContact C-N 3.32Å; L558-L560 HydrophobicContact CD2-CD1 3.62Å; L558-L560 HydrophobicContact CD2-CG 4.41Å; L558-L560 HydrophobicContact CG-CD1 3.83Å; L558-L560 HydrophobicContact CG-CG 4.07Å; L558-L560 PolarHBondContact O-N 3Å; L560-I570 HydrophobicContact CB-CG2 4.28Å; L560-R573 VanDerWaalsContact O-CD 3.28Å; L560-R573 WeakPolarHBondContact O-CD 3.29Å; L560-R573 PolarHBondContact O-NH1 3.34Å; L560-F574 HydrophobicContact CB-CE2 4.19Å; L560-F574 HydrophobicContact CB-CZ 3.72Å
561	G	91.9	Very high	89.7	Confident	19 Å²	19	44.1 Å²	44.1	20%	0.196	24%	0.237	C	C	.	.	S	Bend	trans	73.6	-154.7	175	0	0	0	0	0	113.5	N501 S522	N501-G561 PolarHBondContact ND2-N 3.09Å; N501-G561 PolarHBondContact ND2-O 3.1Å; S522-G561 PolarHBondContact OG-N 2.64Å; S522-G561 VanDerWaalsContact OG-N 3.07Å
562	D	86.8	Confident	89.6	Confident	77 Å²	77	44.4 Å²	44.4	41%	0.412	24%	0.239	S	C	.	.			trans	-70	134.1	-179.8	-176.1	5.7	0	0	0	111.8	H564 L565	D562-H564 IonicContact OD1-CD2 2.79Å; D562-H564 PolarHBondContact OD1-CD2 2.83Å; D562-H564 VanDerWaalsContact OD1-CD2 3.26Å; D562-H564 IonicContact OD1-CG 2.73Å; D562-H564 PolarHBondContact OD1-N 2.77Å; D562-L565 HydrophobicContact CB-CB 4.48Å; D562-L565 HydrophobicContact CB-CD1 4.3Å; D562-L565 HydrophobicContact CB-CG 4.19Å; D562-L565 PolarHBondContact O-N 3.09Å
563	K	80.7	Confident	89.7	Confident	171 Å²	171	44.3 Å²	44.3	74%	0.743	24%	0.235	S	C	*	.	S	Bend	trans	-75.2	-25.3	176.7	-63.3	-178.9	-177.8	177.3	0	112.4	L565 S566	K563-L565 PolarHBondContact O-N 2.8Å; K563-S566 VanDerWaalsContact O-CB 3.23Å; K563-S566 WeakPolarHBondContact O-CB 3.46Å; K563-S566 PolarHBondContact O-N 2.88Å; K563-S566 VanDerWaalsContact O-N 3.14Å; K563-S566 PolarHBondContact O-OG 2.92Å
564	H	82.8	Confident	90	Very high	151 Å²	151	43.9 Å²	43.9	70%	0.699	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-22.4	173.1	-62.1	-76.7	0	0	0	111.8	D562 S566	D562-H564 IonicContact OD1-CD2 2.79Å; D562-H564 PolarHBondContact OD1-CD2 2.83Å; D562-H564 VanDerWaalsContact OD1-CD2 3.26Å; D562-H564 IonicContact OD1-CG 2.73Å; D562-H564 PolarHBondContact OD1-N 2.77Å; H564-S566 VanDerWaalsContact C-N 3.27Å; H564-S566 PolarHBondContact O-N 2.76Å
565	L	86.3	Confident	90.1	Very high	22 Å²	22	44.3 Å²	44.3	12%	0.115	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	24.9	171.3	-57.3	-178.5	0	0	0	113.1	D562 K563 A567 F568 R573 H744 L796	D562-L565 HydrophobicContact CB-CB 4.48Å; D562-L565 HydrophobicContact CB-CD1 4.3Å; D562-L565 HydrophobicContact CB-CG 4.19Å; D562-L565 PolarHBondContact O-N 3.09Å; K563-L565 PolarHBondContact O-N 2.8Å; L565-A567 PolarHBondContact O-N 2.91Å; L565-F568 HydrophobicContact CB-CD2 4.03Å; L565-F568 HydrophobicContact CD2-CD2 4.01Å; L565-F568 HydrophobicContact CD2-CE2 4.02Å; L565-F568 PolarHBondContact O-N 3.44Å; L565-R573 HydrophobicContact CB-CG 4.05Å; L565-R573 PolarHBondContact O-NE 3.07Å; L565-R573 VanDerWaalsContact O-NE 3.13Å; L565-H744 HydrophobicContact CD2-CB 3.83Å; L565-L796 HydrophobicContact CD1-CD1 3.84Å; L565-L796 HydrophobicContact CD2-CD1 3.94Å
566	S	75.1	Confident	90.3	Very high	85 Å²	85	44.2 Å²	44.2	59%	0.594	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-34.7	179.7	54.8	0	0	0	0	113.9	K563 H564 F568 R573	K563-S566 VanDerWaalsContact O-CB 3.23Å; K563-S566 WeakPolarHBondContact O-CB 3.46Å; K563-S566 PolarHBondContact O-N 2.88Å; K563-S566 VanDerWaalsContact O-N 3.14Å; K563-S566 PolarHBondContact O-OG 2.92Å; H564-S566 VanDerWaalsContact C-N 3.27Å; H564-S566 PolarHBondContact O-N 2.76Å; S566-F568 PolarHBondContact O-N 2.95Å; S566-R573 PolarHBondContact O-NH2 2.88Å; S566-R573 VanDerWaalsContact O-NH2 3.15Å
567	A	78.8	Confident	90.8	Very high	32 Å²	32	39.2 Å²	39.2	26%	0.264	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-17.2	177.6	0	0	0	0	0	114.5	L565	L565-A567 PolarHBondContact O-N 2.91Å
568	F	91.4	Very high	91.2	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.009	19%	0.19	C	C	.	.	S	Bend	trans	-98.9	141.1	178	-59.4	-91.3	0	0	0	110.1	L565 S566 L572 R573 H744 L796 E810	L565-F568 HydrophobicContact CB-CD2 4.03Å; L565-F568 HydrophobicContact CD2-CD2 4.01Å; L565-F568 HydrophobicContact CD2-CE2 4.02Å; L565-F568 PolarHBondContact O-N 3.44Å; S566-F568 PolarHBondContact O-N 2.95Å; F568-L572 HydrophobicContact CB-CB 4.22Å; F568-L572 HydrophobicContact CD1-CB 4.12Å; F568-L572 HydrophobicContact CD1-CD1 4.34Å; F568-R573 HydrophobicContact CB-CG 4.3Å; F568-R573 VanDerWaalsContact O-CZ 3.28Å; F568-R573 PolarHBondContact O-NE 3.36Å; F568-R573 PolarHBondContact O-NH2 3.32Å; F568-H744 HydrophobicContact CE2-CB 4.24Å; F568-H744 AromaticContact CE2-CE1 3.83Å; F568-H744 AromaticContact CE2-CG 3.78Å; F568-H744 AromaticContact CE2-ND1 3.61Å; F568-H744 HydrophobicContact CZ-CB 4.45Å; F568-H744 AromaticContact CZ-ND1 3.71Å; F568-L796 HydrophobicContact CD1-CB 4.49Å; F568-L796 HydrophobicContact CE1-CB 3.76Å; F568-L796 HydrophobicContact CE2-CB 4.34Å; F568-L796 HydrophobicContact CZ-CB 3.67Å; F568-E810 HydrophobicContact CD1-CB 3.69Å; F568-E810 HydrophobicContact CD1-CG 3.59Å; F568-E810 HydrophobicContact CE1-CB 3.86Å; F568-E810 HydrophobicContact CE1-CG 3.87Å; F568-E810 HydrophobicContact CG-CG 4.38Å
569	D	91.9	Very high	91.4	Very high	13 Å²	13	34.2 Å²	34.2	7%	0.07	19%	0.189	C	C	.	.			trans	-70.2	162.9	165.4	78.4	40.1	0	0	0	111.4	L555 S571 L572 G833	L555-D569 HydrophobicContact CD1-CB 4.33Å; L555-D569 WeakPolarHBondContact CD1-OD1 3.13Å; L555-D569 HydrophobicContact CG-CB 4.22Å; D569-S571 PolarHBondContact O-N 3.05Å; D569-S571 WeakPolarHBondContact OD1-CA 3.21Å; D569-S571 WeakPolarHBondContact OD1-CB 3.32Å; D569-S571 PolarHBondContact OD1-N 2.81Å; D569-S571 PolarHBondContact OD1-OG 3.03Å; D569-L572 PolarHBondContact O-N 3.41Å; D569-G833 PolarHBondContact OD2-N 3.24Å
570	I	94.9	Very high	91.7	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.01	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-59.2	-20.2	-173.8	58.3	171.5	0	0	0	113.7	V533 L555 L558 L560 L572 R573 F574 L577 W579	V533-I570 HydrophobicContact CG2-CD1 3.93Å; L555-I570 HydrophobicContact CD1-CG1 3.83Å; L558-I570 HydrophobicContact CB-CD1 4.32Å; L558-I570 HydrophobicContact CD2-CD1 3.96Å; L558-I570 WeakPolarHBondContact O-CG2 3.2Å; L560-I570 HydrophobicContact CB-CG2 4.28Å; I570-L572 PolarHBondContact O-N 2.69Å; I570-R573 PolarHBondContact O-N 2.8Å; I570-F574 HydrophobicContact CB-CE2 4.05Å; I570-F574 HydrophobicContact CG2-CE2 4.32Å; I570-F574 VanDerWaalsContact O-CD2 3.32Å; I570-F574 WeakPolarHBondContact O-CD2 3.3Å; I570-L577 HydrophobicContact CG1-CD2 4.41Å; I570-W579 HydrophobicContact CD1-CZ3 4.01Å
571	S	93.1	Very high	91.9	Very high	9 Å²	9	30.7 Å²	30.7	6%	0.063	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-72	-3.9	176.9	85.5	0	0	0	0	113.6	D569 K670	D569-S571 PolarHBondContact O-N 3.05Å; D569-S571 WeakPolarHBondContact OD1-CA 3.21Å; D569-S571 WeakPolarHBondContact OD1-CB 3.32Å; D569-S571 PolarHBondContact OD1-N 2.81Å; D569-S571 PolarHBondContact OD1-OG 3.03Å; S571-K670 VanDerWaalsContact CB-NZ 3.33Å; S571-K670 VanDerWaalsContact O-CD 3.29Å; S571-K670 WeakPolarHBondContact O-CD 3.44Å; S571-K670 VanDerWaalsContact O-CE 3.28Å; S571-K670 WeakPolarHBondContact O-CE 3.42Å; S571-K670 PolarHBondContact O-NZ 3.19Å; S571-K670 PolarHBondContact OG-NZ 2.89Å
572	L	94.4	Very high	92.3	Very high	10 Å²	10	29.8 Å²	29.8	5%	0.052	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-128.9	10.4	173.9	-69.3	175.1	0	0	0	113.8	F568 D569 I570 Y672 L796 E810 C812	F568-L572 HydrophobicContact CB-CB 4.22Å; F568-L572 HydrophobicContact CD1-CB 4.12Å; F568-L572 HydrophobicContact CD1-CD1 4.34Å; D569-L572 PolarHBondContact O-N 3.41Å; I570-L572 PolarHBondContact O-N 2.69Å; L572-Y672 PolarHBondContact O-OH 2.9Å; L572-Y672 VanDerWaalsContact O-OH 3.08Å; L572-L796 HydrophobicContact CB-CD2 4.4Å; L572-L796 VanDerWaalsContact O-CD1 3.3Å; L572-L796 WeakPolarHBondContact O-CD1 3.4Å; L572-L796 WeakPolarHBondContact O-CD2 3.34Å; L572-E810 HydrophobicContact CD1-CB 3.44Å; L572-E810 VanDerWaalsContact CD1-CB 3.44Å; L572-C812 HydrophobicContact CD2-CB 4.06Å
573	R	95.5	Very high	92.8	Very high	28 Å²	28	26.1 Å²	26.1	11%	0.106	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-15.1	174.6	-64.2	-172.8	-169.5	176.9	2.4	114.7	S529 L560 L565 S566 F568 I570 Y672	S529-R573 PolarHBondContact OG-O 2.78Å; L560-R573 VanDerWaalsContact O-CD 3.28Å; L560-R573 WeakPolarHBondContact O-CD 3.29Å; L560-R573 PolarHBondContact O-NH1 3.34Å; L565-R573 HydrophobicContact CB-CG 4.05Å; L565-R573 PolarHBondContact O-NE 3.07Å; L565-R573 VanDerWaalsContact O-NE 3.13Å; S566-R573 PolarHBondContact O-NH2 2.88Å; S566-R573 VanDerWaalsContact O-NH2 3.15Å; F568-R573 HydrophobicContact CB-CG 4.3Å; F568-R573 VanDerWaalsContact O-CZ 3.28Å; F568-R573 PolarHBondContact O-NE 3.36Å; F568-R573 PolarHBondContact O-NH2 3.32Å; I570-R573 PolarHBondContact O-N 2.8Å; R573-Y672 VanDerWaalsContact C-OH 3.28Å; R573-Y672 PolarHBondContact O-OH 3.01Å
574	F	96.8	Very high	93.6	Very high	7 Å²	7	18.2 Å²	18.2	3%	0.031	10%	0.102	C	C	.	.			trans	-123.3	134.5	-170.8	-55.7	-65.5	0	0	0	112.9	S529 L560 I570 H576 L577 Y672	S529-F574 WeakPolarHBondContact OG-CA 3.26Å; L560-F574 HydrophobicContact CB-CE2 4.19Å; L560-F574 HydrophobicContact CB-CZ 3.72Å; I570-F574 HydrophobicContact CB-CE2 4.05Å; I570-F574 HydrophobicContact CG2-CE2 4.32Å; I570-F574 VanDerWaalsContact O-CD2 3.32Å; I570-F574 WeakPolarHBondContact O-CD2 3.3Å; F574-H576 PolarHBondContact O-N 2.98Å; F574-L577 HydrophobicContact CB-CB 4.28Å; F574-L577 HydrophobicContact CD2-CB 4.34Å; F574-L577 HydrophobicContact CD2-CD1 3.96Å; F574-L577 HydrophobicContact CE2-CD1 4.42Å; F574-Y672 PolarHBondContact N-OH 3.38Å; F574-Y672 WeakPolarHBondContact O-CD1 3.38Å; F574-Y672 WeakPolarHBondContact O-CE1 3.39Å
575	T	97.5	Very high	94.4	Very high	8 Å²	8	11 Å²	11	5%	0.049	7%	0.069	C	C	.	.	S	Bend	trans	-54.4	-40.5	168.3	-41.3	0	0	0	0	110.6	T528 S529 S671 Y672 T675 M705	T528-T575 HydrophobicContact CG2-CG2 3.92Å; S529-T575 PolarHBondContact N-OG1 2.96Å; S529-T575 VanDerWaalsContact N-OG1 3.13Å; S529-T575 WeakPolarHBondContact O-CB 3.38Å; S529-T575 PolarHBondContact O-N 3.32Å; S529-T575 PolarHBondContact OG-N 2.83Å; S529-T575 PolarHBondContact OG-OG1 2.99Å; T575-S671 CarbonylContact O-C 3.55Å; T575-S671 WeakPolarHBondContact O-CA 3.32Å; T575-S671 VanDerWaalsContact O-CB 3.29Å; T575-S671 WeakPolarHBondContact O-CB 3.38Å; T575-Y672 HydrophobicContact CG2-CD2 4.17Å; T575-Y672 PolarHBondContact O-N 2.97Å; T575-T675 HydrophobicContact CG2-CG2 3.7Å; T575-M705 HydrophobicContact CG2-CE 4.4Å
576	H	98.6	Very high	94.9	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	115.6	172.2	-58.1	-75.2	0	0	0	111.2	S529 F530 G531 F574 F578 S671 V702	S529-H576 PolarHBondContact O-N 3.36Å; F530-H576 WeakPolarHBondContact CA-O 3.29Å; F530-H576 HydrophobicContact CD1-CB 4.19Å; F530-H576 HydrophobicContact CE1-CB 4.23Å; G531-H576 PolarHBondContact N-O 3.15Å; F574-H576 PolarHBondContact O-N 2.98Å; H576-F578 HydrophobicContact CB-CE2 3.91Å; H576-F578 HydrophobicContact CB-CZ 4.37Å; H576-S671 WeakPolarHBondContact ND1-CB 3.35Å; H576-S671 PolarHBondContact ND1-OG 3.1Å; H576-V702 WeakPolarHBondContact CD2-CG1 3.47Å; H576-V702 WeakPolarHBondContact NE2-CG1 3.24Å
577	L	98.7	Very high	96	Very high	2 Å²	2	6.3 Å²	6.3	1%	0.01	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	117.6	171.7	175.6	62.2	0	0	0	109.7	G531 V533 I570 F574 F625 W669 K670	G531-L577 CarbonylContact O-C 3.6Å; G531-L577 WeakPolarHBondContact O-CA 3.32Å; V533-L577 HydrophobicContact CG2-CD1 4.06Å; I570-L577 HydrophobicContact CG1-CD2 4.41Å; F574-L577 HydrophobicContact CB-CB 4.28Å; F574-L577 HydrophobicContact CD2-CB 4.34Å; F574-L577 HydrophobicContact CD2-CD1 3.96Å; F574-L577 HydrophobicContact CE2-CD1 4.42Å; L577-F625 HydrophobicContact CD2-CE1 3.92Å; L577-F625 HydrophobicContact CD2-CZ 3.75Å; L577-F625 HydrophobicContact CG-CE1 4.28Å; L577-W669 CarbonylContact O-C 3.5Å; L577-W669 WeakPolarHBondContact O-CA 3.4Å; L577-K670 PolarHBondContact N-O 3.04Å; L577-K670 PolarHBondContact O-N 3.22Å
578	F	98.9	Very high	96.8	Very high	2 Å²	2	8.4 Å²	8.4	1%	0.009	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	136.4	170.2	-60.9	-83.6	0	0	0	109.9	V401 V403 F530 G531 F532 V533 H576 W669 I677 F700 V702	V401-F578 HydrophobicContact CG1-CE2 4.38Å; V401-F578 HydrophobicContact CG1-CZ 4.49Å; V403-F578 HydrophobicContact CG2-CB 4.22Å; V403-F578 HydrophobicContact CG2-CD1 3.95Å; V403-F578 HydrophobicContact CG2-CG 4.04Å; F530-F578 HydrophobicContact CD1-CE2 4.03Å; F530-F578 HydrophobicContact CE1-CE2 4.18Å; G531-F578 PolarHBondContact O-N 2.95Å; F532-F578 CarbonylContact C-O 3.48Å; F532-F578 WeakPolarHBondContact CA-O 3.4Å; F532-F578 HydrophobicContact CD1-CB 3.76Å; F532-F578 AromaticContact CD1-CD2 3.87Å; F532-F578 HydrophobicContact CD1-CD2 3.87Å; F532-F578 HydrophobicContact CD1-CG 4.11Å; F532-F578 HydrophobicContact CE1-CB 4.12Å; F532-F578 AromaticContact CE1-CD2 3.42Å; F532-F578 HydrophobicContact CE1-CD2 3.42Å; F532-F578 VanDerWaalsContact CE1-CD2 3.42Å; F532-F578 HydrophobicContact CE1-CE2 4.09Å; F532-F578 AromaticContact CE1-CG 3.94Å; F532-F578 HydrophobicContact CE1-CG 3.94Å; F532-F578 AromaticContact CZ-CD2 3.9Å; F532-F578 HydrophobicContact CZ-CD2 3.9Å; F532-F578 HydrophobicContact CZ-CE2 4.26Å; V533-F578 PolarHBondContact N-O 3.37Å; H576-F578 HydrophobicContact CB-CE2 3.91Å; H576-F578 HydrophobicContact CB-CZ 4.37Å; F578-W669 HydrophobicContact CD1-CB 3.79Å; F578-W669 HydrophobicContact CE1-CB 4.03Å; F578-I677 HydrophobicContact CE1-CD1 3.92Å; F578-I677 HydrophobicContact CZ-CD1 3.75Å; F578-F700 HydrophobicContact CD1-CD2 4.07Å; F578-F700 AromaticContact CD1-CE2 3.81Å; F578-F700 HydrophobicContact CD1-CE2 3.81Å; F578-F700 HydrophobicContact CD1-CZ 4.18Å; F578-F700 HydrophobicContact CE1-CB 4.37Å; F578-F700 HydrophobicContact CE1-CD1 4.03Å; F578-F700 AromaticContact CE1-CD2 3.43Å; F578-F700 HydrophobicContact CE1-CD2 3.43Å; F578-F700 VanDerWaalsContact CE1-CD2 3.43Å; F578-F700 HydrophobicContact CE1-CE1 4.18Å; F578-F700 AromaticContact CE1-CE2 3.6Å; F578-F700 HydrophobicContact CE1-CE2 3.6Å; F578-F700 AromaticContact CE1-CG 3.66Å; F578-F700 HydrophobicContact CE1-CG 3.66Å; F578-F700 AromaticContact CE1-CZ 3.98Å; F578-F700 HydrophobicContact CE1-CZ 3.98Å; F578-F700 HydrophobicContact CZ-CB 4.47Å; F578-F700 HydrophobicContact CZ-CD2 4.17Å; F578-F700 HydrophobicContact CZ-CG 4.24Å; F578-V702 HydrophobicContact CZ-CG2 4.17Å
579	W	98.9	Very high	96.9	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	114.3	177.5	-164.8	-47.5	0	0	0	109.1	V533 C535 F551 I554 L555 I570 F622 F625 L668	V533-W579 HydrophobicContact CB-CB 4.47Å; V533-W579 HydrophobicContact CB-CD2 3.92Å; V533-W579 HydrophobicContact CB-CE3 4.25Å; V533-W579 HydrophobicContact CB-CG 4.01Å; V533-W579 HydrophobicContact CG1-CD2 3.87Å; V533-W579 HydrophobicContact CG1-CE3 4.33Å; V533-W579 HydrophobicContact CG1-CG 4.24Å; V533-W579 HydrophobicContact CG1-CZ2 4.06Å; V533-W579 HydrophobicContact CG2-CD2 4.39Å; V533-W579 HydrophobicContact CG2-CE3 4.2Å; V533-W579 WeakPolarHBondContact O-CA 3.17Å; C535-W579 PolarHBondContact SG-NE1 3.31Å; F551-W579 AromaticContact CD2-CH2 3.68Å; F551-W579 HydrophobicContact CD2-CH2 3.68Å; F551-W579 AromaticContact CD2-CZ2 3.84Å; F551-W579 HydrophobicContact CD2-CZ2 3.84Å; F551-W579 HydrophobicContact CD2-CZ3 4.13Å; F551-W579 HydrophobicContact CE2-CE3 4.34Å; F551-W579 AromaticContact CE2-CH2 3.9Å; F551-W579 HydrophobicContact CE2-CH2 3.9Å; F551-W579 HydrophobicContact CE2-CZ2 4.4Å; F551-W579 AromaticContact CE2-CZ3 3.88Å; F551-W579 HydrophobicContact CE2-CZ3 3.88Å; I554-W579 HydrophobicContact CB-CH2 3.89Å; I554-W579 HydrophobicContact CB-CZ2 3.98Å; I554-W579 HydrophobicContact CD1-CZ2 4.4Å; I554-W579 HydrophobicContact CG2-CH2 3.57Å; I554-W579 HydrophobicContact CG2-CZ2 3.63Å; L555-W579 HydrophobicContact CB-CH2 4.3Å; L555-W579 HydrophobicContact CB-CZ3 4.42Å; L555-W579 HydrophobicContact CD1-CZ3 4.33Å; I570-W579 HydrophobicContact CD1-CZ3 4.01Å; W579-F622 HydrophobicContact CB-CE1 4.36Å; W579-F622 AromaticContact CD1-CE1 3.77Å; W579-F622 AromaticContact CD2-CE1 3.73Å; W579-F622 HydrophobicContact CD2-CE1 3.73Å; W579-F622 HydrophobicContact CD2-CZ 4.43Å; W579-F622 AromaticContact CE2-CE1 3.81Å; W579-F622 HydrophobicContact CE3-CE1 4.34Å; W579-F622 AromaticContact CG-CE1 3.72Å; W579-F622 HydrophobicContact CG-CE1 3.72Å; W579-F622 HydrophobicContact CG-CZ 4.48Å; W579-F622 HydrophobicContact CZ2-CE1 4.47Å; W579-F622 AromaticContact NE1-CE1 3.85Å; W579-F622 AromaticContact NE1-CZ 3.89Å; W579-F625 HydrophobicContact CB-CE1 4.13Å; W579-F625 HydrophobicContact CE3-CE1 4.2Å; W579-F625 HydrophobicContact CE3-CZ 4.08Å; W579-L668 PolarHBondContact N-O 3.18Å; W579-L668 PolarHBondContact O-N 3.27Å
580	C	98.8	Very high	96.9	Very high	4 Å²	4	15.5 Å²	15.5	3%	0.027	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	173.6	175.9	70.4	0	0	0	0	111.4	V403 T405 V533 N534 C535 R666 I667	V403-C580 HydrophobicContact CG1-CB 4.02Å; T405-C580 HydrophobicContact CG2-CB 4.28Å; V533-C580 PolarHBondContact O-N 2.63Å; V533-C580 PolarHBondContact O-SG 2.79Å; N534-C580 WeakPolarHBondContact CA-O 3.27Å; C535-C580 PolarHBondContact N-O 3.49Å; C535-C580 VanDerWaalsContact N-O 3.09Å; C580-R666 VanDerWaalsContact CA-O 3.22Å; C580-R666 WeakPolarHBondContact CA-O 3.25Å; C580-I667 HydrophobicContact CB-CB 4.47Å; C580-I667 HydrophobicContact CB-CG1 3.9Å; C580-I667 HydrophobicContact CB-CG2 4.44Å
581	G	98.7	Very high	96.8	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	153.6	179	170.1	0	0	0	0	0	114.1	T405 C535 L583 D665 R666	T405-G581 VanDerWaalsContact OG1-CA 3.27Å; T405-G581 WeakPolarHBondContact OG1-CA 3.24Å; T405-G581 PolarHBondContact OG1-N 3.47Å; C535-G581 CarbonylContact O-C 3.57Å; C535-G581 WeakPolarHBondContact O-CA 3.07Å; G581-L583 VanDerWaalsContact C-N 3.34Å; G581-L583 PolarHBondContact O-N 3.01Å; G581-D665 WeakPolarHBondContact O-CA 3.15Å; G581-R666 PolarHBondContact N-O 2.74Å; G581-R666 PolarHBondContact O-N 2.79Å; G581-R666 VanDerWaalsContact O-N 3.07Å
582	D	98.8	Very high	96.9	Very high	1 Å²	1	20 Å²	20	1%	0.005	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	91.7	155.5	-177.3	-8.8	0	0	0	107.4	N407 Q447 C535 H536 L537 N584 C664 H693	N407-D582 HydrophobicContact CB-CB 4.31Å; N407-D582 PolarHBondContact ND2-OD2 3.25Å; Q447-D582 HydrophobicContact CB-CB 4.46Å; Q447-D582 HydrophobicContact CG-CB 4Å; C535-D582 PolarHBondContact O-N 3.05Å; H536-D582 WeakPolarHBondContact CA-O 3.33Å; H536-D582 IonicContact NE2-OD2 2.77Å; L537-D582 PolarHBondContact N-O 3.44Å; D582-N584 PolarHBondContact O-N 2.93Å; D582-N584 VanDerWaalsContact OD1-CA 3.28Å; D582-N584 WeakPolarHBondContact OD1-CA 3.46Å; D582-N584 WeakPolarHBondContact OD1-CB 3.1Å; D582-N584 VanDerWaalsContact OD1-CG 3.28Å; D582-N584 PolarHBondContact OD1-N 2.82Å; D582-N584 PolarHBondContact OD1-ND2 3.18Å; D582-N584 PolarHBondContact OD2-ND2 3Å; D582-C664 WeakPolarHBondContact OD1-CB 3.02Å; D582-H693 IonicContact OD2-CE1 3.77Å; D582-H693 PolarHBondContact OD2-CE1 2.57Å; D582-H693 VanDerWaalsContact OD2-CE1 3.32Å; D582-H693 IonicContact OD2-NE2 2.95Å
583	L	98.6	Very high	96.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.115	C	C	.	.			trans	-77.5	-9.8	178.5	-51.5	-166.3	0	0	0	111.7	C535 L537 R547 G581 Y585 L612 F622 C664 R666 L668	C535-L583 WeakPolarHBondContact SG-CD2 3.32Å; L537-L583 HydrophobicContact CD1-CB 4.18Å; L537-L583 HydrophobicContact CD1-CD2 4.14Å; L537-L583 HydrophobicContact CG-CD2 4.42Å; R547-L583 WeakPolarHBondContact CD-O 3.37Å; G581-L583 VanDerWaalsContact C-N 3.34Å; G581-L583 PolarHBondContact O-N 3.01Å; L583-Y585 HydrophobicContact CB-CD2 3.69Å; L583-Y585 HydrophobicContact CB-CE2 4.02Å; L583-Y585 WeakPolarHBondContact O-CD2 3.5Å; L583-Y585 PolarHBondContact O-N 2.81Å; L583-L612 HydrophobicContact CD1-CD2 3.73Å; L583-F622 HydrophobicContact CD1-CE2 4.14Å; L583-F622 HydrophobicContact CD1-CZ 3.88Å; L583-F622 HydrophobicContact CD2-CZ 4.33Å; L583-C664 PolarHBondContact N-O 2.93Å; L583-R666 HydrophobicContact CB-CG 4.46Å; L583-R666 HydrophobicContact CD1-CB 3.69Å; L583-R666 HydrophobicContact CD1-CG 4.08Å; L583-R666 HydrophobicContact CG-CB 4.02Å; L583-R666 HydrophobicContact CG-CG 4.27Å; L583-L668 HydrophobicContact CD1-CD1 3.59Å
584	N	98.1	Very high	97	Very high	5 Å²	5	21.1 Å²	21.1	3%	0.027	11%	0.11	C	C	.	.			trans	55.4	10.8	172.5	-115.9	-71.6	0	0	0	117.3	S539 D582 R586 C664	S539-N584 VanDerWaalsContact CA-OD1 3.3Å; S539-N584 WeakPolarHBondContact CA-OD1 3.23Å; S539-N584 WeakPolarHBondContact CB-OD1 3.4Å; D582-N584 PolarHBondContact O-N 2.93Å; D582-N584 VanDerWaalsContact OD1-CA 3.28Å; D582-N584 WeakPolarHBondContact OD1-CA 3.46Å; D582-N584 WeakPolarHBondContact OD1-CB 3.1Å; D582-N584 VanDerWaalsContact OD1-CG 3.28Å; D582-N584 PolarHBondContact OD1-N 2.82Å; D582-N584 PolarHBondContact OD1-ND2 3.18Å; D582-N584 PolarHBondContact OD2-ND2 3Å; N584-R586 WeakPolarHBondContact O-CD 3.36Å; N584-R586 PolarHBondContact O-NE 2.86Å; N584-R586 VanDerWaalsContact O-NE 3.13Å; N584-R586 PolarHBondContact OD1-NE 3.01Å; N584-R586 PolarHBondContact OD1-NH2 3.17Å; N584-C664 PolarHBondContact N-O 3.39Å
585	Y	98.4	Very high	96.9	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.112	C	C	.	.			trans	-65.2	143.6	170.1	-69	-87.9	0	0	0	110.4	L537 V544 R547 N548 L583 Q611 L612 F622	L537-Y585 HydrophobicContact CD1-CE2 4.08Å; V544-Y585 HydrophobicContact CG1-CE1 4.4Å; R547-Y585 HydrophobicContact CB-CE1 3.85Å; R547-Y585 HydrophobicContact CB-CE2 4.08Å; N548-Y585 PolarHBondContact OD1-OH 2.83Å; L583-Y585 HydrophobicContact CB-CD2 3.69Å; L583-Y585 HydrophobicContact CB-CE2 4.02Å; L583-Y585 WeakPolarHBondContact O-CD2 3.5Å; L583-Y585 PolarHBondContact O-N 2.81Å; Y585-Q611 HydrophobicContact CD1-CB 3.82Å; Y585-Q611 HydrophobicContact CG-CB 4.44Å; Y585-L612 HydrophobicContact CD1-CB 4.23Å; Y585-L612 HydrophobicContact CD2-CB 3.93Å; Y585-L612 HydrophobicContact CD2-CD1 4.04Å; Y585-L612 HydrophobicContact CD2-CD2 4.38Å; Y585-L612 HydrophobicContact CD2-CG 4.34Å; Y585-L612 HydrophobicContact CE2-CD1 3.82Å; Y585-L612 HydrophobicContact CG-CB 3.77Å; Y585-F622 HydrophobicContact CE2-CE2 4.35Å
586	R	97.4	Very high	96.7	Very high	4 Å²	4	26.1 Å²	26.1	2%	0.015	13%	0.131	C	C	.	.			trans	-114.9	171.7	-172.9	-52	-56.4	178.3	93.4	-13	112	N584 Q611 N659 S662	N584-R586 WeakPolarHBondContact O-CD 3.36Å; N584-R586 PolarHBondContact O-NE 2.86Å; N584-R586 VanDerWaalsContact O-NE 3.13Å; N584-R586 PolarHBondContact OD1-NE 3.01Å; N584-R586 PolarHBondContact OD1-NH2 3.17Å; R586-Q611 WeakPolarHBondContact O-CB 3.09Å; R586-Q611 WeakPolarHBondContact O-CG 3.28Å; R586-Q611 PolarHBondContact O-N 2.74Å; R586-N659 PolarHBondContact NH1-OD1 3.08Å; R586-S662 WeakPolarHBondContact CA-OG 3.48Å; R586-S662 WeakPolarHBondContact CD-OG 3.38Å
587	V	97.5	Very high	96.6	Very high	3 Å²	3	27.9 Å²	27.9	2%	0.018	14%	0.139	C	C	.	.	B	Isolated β-bridge	trans	-94.6	124.9	169.7	-178	0	0	0	0	108.8	L589 I594 A609 V660 S662 W663	V587-L589 VanDerWaalsContact C-N 3.33Å; V587-L589 HydrophobicContact CG1-CB 4.23Å; V587-L589 HydrophobicContact CG1-CD1 4.21Å; V587-L589 HydrophobicContact CG1-CG 4.34Å; V587-L589 PolarHBondContact O-N 3.27Å; V587-L589 VanDerWaalsContact O-N 3.15Å; V587-I594 HydrophobicContact CB-CD1 4.01Å; V587-I594 HydrophobicContact CG1-CD1 3.91Å; V587-I594 HydrophobicContact CG1-CG1 4.02Å; V587-A609 HydrophobicContact CG1-CB 3.74Å; V587-V660 WeakPolarHBondContact O-CG2 3.07Å; V587-S662 PolarHBondContact N-OG 2.85Å; V587-W663 HydrophobicContact CG2-CE3 3.85Å; V587-W663 HydrophobicContact CG2-CZ3 3.85Å
588	D	94.9	Very high	96.4	Very high	76 Å²	76	28.3 Å²	28.3	41%	0.406	14%	0.142	S	C	.	.			trans	-87.9	67.9	178.2	-68.1	-17	0	0	0	111.3	A609 Q611 R614	D588-A609 PolarHBondContact N-O 2.79Å; D588-Q611 PolarHBondContact OD1-NE2 3.45Å; D588-R614 IonicContact OD1-NH2 3.3Å; D588-R614 IonicContact OD2-CZ 3.78Å; D588-R614 VanDerWaalsContact OD2-CZ 3.22Å; D588-R614 IonicContact OD2-NH1 2.7Å; D588-R614 PolarHBondContact OD2-NH1 3.33Å; D588-R614 IonicContact OD2-NH2 2.7Å; D588-R614 PolarHBondContact OD2-NH2 2.88Å
589	L	94.4	Very high	96.2	Very high	71 Å²	71	31.5 Å²	31.5	37%	0.372	17%	0.165	S	C	.	.	S	Bend	trans	-140	165.4	172.2	-75.7	171.5	0	0	0	110.1	V587 I594 L606 A609	V587-L589 VanDerWaalsContact C-N 3.33Å; V587-L589 HydrophobicContact CG1-CB 4.23Å; V587-L589 HydrophobicContact CG1-CD1 4.21Å; V587-L589 HydrophobicContact CG1-CG 4.34Å; V587-L589 PolarHBondContact O-N 3.27Å; V587-L589 VanDerWaalsContact O-N 3.15Å; L589-I594 HydrophobicContact CB-CD1 3.94Å; L589-I594 HydrophobicContact CB-CG1 3.72Å; L589-I594 WeakPolarHBondContact O-CD1 3.33Å; L589-L606 HydrophobicContact CD1-CD2 3.57Å; L589-A609 HydrophobicContact CD1-CB 3.67Å; L589-A609 HydrophobicContact CD2-CB 4.43Å; L589-A609 HydrophobicContact CG-CB 3.6Å
590	D	92.8	Very high	96	Very high	94 Å²	94	37.1 Å²	37.1	50%	0.503	19%	0.189	S	C	.	.			trans	-65.8	149.5	168.5	-176.5	-101.1	0	0	0	111.2	Q592 D593 I594	D590-Q592 VanDerWaalsContact C-N 3.26Å; D590-Q592 PolarHBondContact O-N 2.83Å; D590-Q592 WeakPolarHBondContact OD1-CB 3.42Å; D590-Q592 WeakPolarHBondContact OD1-CG 3.32Å; D590-Q592 PolarHBondContact OD1-N 2.99Å; D590-D593 PolarHBondContact O-N 2.89Å; D590-I594 WeakPolarHBondContact O-CG1 3.5Å; D590-I594 PolarHBondContact O-N 2.89Å; D590-I594 VanDerWaalsContact O-N 3.07Å
591	V	93.1	Very high	95.7	Very high	7 Å²	7	43.8 Å²	43.8	4%	0.042	21%	0.214	C	C	.	.	H	α-helix	trans	-60	-34.2	-178.4	71	0	0	0	0	113	I594 L595 W648 V660	V591-I594 PolarHBondContact O-N 3.22Å; V591-L595 HydrophobicContact CG2-CD1 3.97Å; V591-L595 HydrophobicContact CG2-CG 4.25Å; V591-L595 WeakPolarHBondContact O-CB 3.33Å; V591-L595 VanDerWaalsContact O-CG 3.25Å; V591-L595 WeakPolarHBondContact O-CG 3.34Å; V591-L595 PolarHBondContact O-N 2.81Å; V591-W648 HydrophobicContact CB-CD2 4.38Å; V591-W648 HydrophobicContact CB-CE3 4.36Å; V591-W648 HydrophobicContact CG1-CD2 4.2Å; V591-W648 HydrophobicContact CG1-CE3 4.05Å; V591-W648 HydrophobicContact CG1-CH2 4.16Å; V591-W648 HydrophobicContact CG1-CZ2 4.3Å; V591-W648 HydrophobicContact CG1-CZ3 4.02Å; V591-W648 HydrophobicContact CG2-CB 3.97Å; V591-W648 HydrophobicContact CG2-CD2 3.73Å; V591-W648 HydrophobicContact CG2-CE3 4.16Å; V591-W648 HydrophobicContact CG2-CG 3.62Å; V591-V660 HydrophobicContact CB-CG1 4.09Å
592	Q	93.8	Very high	95.5	Very high	97 Å²	97	47.1 Å²	47.1	45%	0.453	23%	0.229	S	C	.	.	H	α-helix	trans	-70.2	-41	-178.8	-60.7	-59	-33.4	0	0	111.7	D590 K596	D590-Q592 VanDerWaalsContact C-N 3.26Å; D590-Q592 PolarHBondContact O-N 2.83Å; D590-Q592 WeakPolarHBondContact OD1-CB 3.42Å; D590-Q592 WeakPolarHBondContact OD1-CG 3.32Å; D590-Q592 PolarHBondContact OD1-N 2.99Å; Q592-K596 WeakPolarHBondContact O-CB 3.43Å; Q592-K596 PolarHBondContact O-N 2.95Å
593	D	95.5	Very high	95.3	Very high	63 Å²	63	47.8 Å²	47.8	34%	0.337	23%	0.232	S	C	.	.	H	α-helix	trans	-68.2	-36.9	174.4	-80.6	-45	0	0	0	111.8	D590 K596 H597	D590-D593 PolarHBondContact O-N 2.89Å; D593-K596 PolarHBondContact O-N 2.97Å; D593-K596 IonicContact OD1-NZ 2.71Å; D593-K596 PolarHBondContact OD1-NZ 3.49Å; D593-H597 PolarHBondContact O-CD2 3.22Å; D593-H597 PolarHBondContact O-N 2.93Å
594	I	95.9	Very high	95.1	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-61.3	-52.7	173.2	-65.8	164.9	0	0	0	110.8	V587 L589 D590 V591 K596 H597 V598 L606 V660 P661	V587-I594 HydrophobicContact CB-CD1 4.01Å; V587-I594 HydrophobicContact CG1-CD1 3.91Å; V587-I594 HydrophobicContact CG1-CG1 4.02Å; L589-I594 HydrophobicContact CB-CD1 3.94Å; L589-I594 HydrophobicContact CB-CG1 3.72Å; L589-I594 WeakPolarHBondContact O-CD1 3.33Å; D590-I594 WeakPolarHBondContact O-CG1 3.5Å; D590-I594 PolarHBondContact O-N 2.89Å; D590-I594 VanDerWaalsContact O-N 3.07Å; V591-I594 PolarHBondContact O-N 3.22Å; I594-K596 VanDerWaalsContact C-N 3.3Å; I594-K596 PolarHBondContact O-N 3.29Å; I594-H597 PolarHBondContact O-N 3.45Å; I594-V598 HydrophobicContact CG2-CG2 4.31Å; I594-V598 WeakPolarHBondContact O-CB 3.44Å; I594-V598 VanDerWaalsContact O-CG2 3.3Å; I594-V598 WeakPolarHBondContact O-CG2 3.45Å; I594-V598 PolarHBondContact O-N 3.2Å; I594-L606 HydrophobicContact CG1-CD2 4.25Å; I594-L606 HydrophobicContact CG2-CD1 4.48Å; I594-V660 HydrophobicContact CD1-CB 3.69Å; I594-V660 HydrophobicContact CD1-CG1 4.32Å; I594-V660 HydrophobicContact CD1-CG2 3.71Å; I594-P661 HydrophobicContact CG2-CB 3.8Å; I594-P661 HydrophobicContact CG2-CG 3.97Å
595	L	94.8	Very high	94.8	Very high	14 Å²	14	58.2 Å²	58.2	7%	0.073	28%	0.281	C	S	.	.	H	α-helix	trans	-62	-37.1	179.9	-69.5	171.7	0	0	0	112.4	V591 V598 S599 Y646 P661 L987	V591-L595 HydrophobicContact CG2-CD1 3.97Å; V591-L595 HydrophobicContact CG2-CG 4.25Å; V591-L595 WeakPolarHBondContact O-CB 3.33Å; V591-L595 VanDerWaalsContact O-CG 3.25Å; V591-L595 WeakPolarHBondContact O-CG 3.34Å; V591-L595 PolarHBondContact O-N 2.81Å; L595-V598 PolarHBondContact O-N 3.33Å; L595-S599 WeakPolarHBondContact O-CB 3.45Å; L595-S599 PolarHBondContact O-N 3.45Å; L595-S599 PolarHBondContact O-OG 3.44Å; L595-S599 VanDerWaalsContact O-OG 3.13Å; L595-Y646 HydrophobicContact CD2-CD2 3.68Å; L595-Y646 HydrophobicContact CD2-CE2 4.43Å; L595-P661 HydrophobicContact CD2-CG 4.17Å; L595-L987 HydrophobicContact CD2-CD2 4.28Å
596	K	95	Very high	94.7	Very high	106 Å²	106	58.2 Å²	58.2	46%	0.461	28%	0.281	S	S	.	.	H	α-helix	trans	-63.4	-43.6	174.7	168.1	179	149.1	-155.1	0	112.8	Q592 D593 I594 S599 K600	Q592-K596 WeakPolarHBondContact O-CB 3.43Å; Q592-K596 PolarHBondContact O-N 2.95Å; D593-K596 PolarHBondContact O-N 2.97Å; D593-K596 IonicContact OD1-NZ 2.71Å; D593-K596 PolarHBondContact OD1-NZ 3.49Å; I594-K596 VanDerWaalsContact C-N 3.3Å; I594-K596 PolarHBondContact O-N 3.29Å; K596-S599 PolarHBondContact O-OG 2.71Å; K596-S599 VanDerWaalsContact O-OG 3.07Å; K596-K600 WeakPolarHBondContact O-CG 3.33Å
597	H	95.1	Very high	94.6	Very high	36 Å²	36	59.5 Å²	59.5	17%	0.167	29%	0.287	C	S	.	.	H	α-helix	trans	-72	-37.7	174.3	-74.8	-63.1	0	0	0	112	D593 I594 K600 R601 E602 L606	D593-H597 PolarHBondContact O-CD2 3.22Å; D593-H597 PolarHBondContact O-N 2.93Å; I594-H597 PolarHBondContact O-N 3.45Å; H597-K600 PolarHBondContact O-N 3.24Å; H597-R601 PolarHBondContact O-N 3.44Å; H597-E602 HydrophobicContact CB-CB 4.16Å; H597-E602 IonicContact CE1-OE2 2.83Å; H597-E602 PolarHBondContact CE1-OE2 3.12Å; H597-E602 IonicContact CG-OE2 3.96Å; H597-E602 IonicContact ND1-OE2 2.71Å; H597-E602 PolarHBondContact ND1-OE2 3.39Å; H597-E602 PolarHBondContact O-N 3.38Å; H597-L606 HydrophobicContact CB-CD1 3.77Å; H597-L606 HydrophobicContact CB-CD2 3.84Å; H597-L606 HydrophobicContact CB-CG 3.71Å
598	V	95.1	Very high	94.4	Very high	11 Å²	11	66 Å²	66	7%	0.067	32%	0.316	C	S	.	.	H	α-helix	trans	-65.3	-44.2	178.1	171.6	0	0	0	0	112.3	I594 L595 K600 R601 F603 L606 P633 P634 Y646	I594-V598 HydrophobicContact CG2-CG2 4.31Å; I594-V598 WeakPolarHBondContact O-CB 3.44Å; I594-V598 VanDerWaalsContact O-CG2 3.3Å; I594-V598 WeakPolarHBondContact O-CG2 3.45Å; I594-V598 PolarHBondContact O-N 3.2Å; L595-V598 PolarHBondContact O-N 3.33Å; V598-K600 PolarHBondContact O-N 3.39Å; V598-R601 PolarHBondContact O-N 3.42Å; V598-F603 HydrophobicContact CB-CE1 4.46Å; V598-F603 HydrophobicContact CG1-CE1 4.28Å; V598-F603 HydrophobicContact CG2-CE1 4.32Å; V598-L606 HydrophobicContact CG2-CD1 3.86Å; V598-P633 HydrophobicContact CG1-CB 4.17Å; V598-P634 HydrophobicContact CG2-CG 3.81Å; V598-Y646 HydrophobicContact CG1-CE2 4.09Å
599	S	94.2	Very high	94.5	Very high	70 Å²	70	63 Å²	63	49%	0.49	30%	0.301	S	S	.	.	H	α-helix	trans	-60.8	-31.5	179	59.8	0	0	0	0	113	L595 K596	L595-S599 WeakPolarHBondContact O-CB 3.45Å; L595-S599 PolarHBondContact O-N 3.45Å; L595-S599 PolarHBondContact O-OG 3.44Å; L595-S599 VanDerWaalsContact O-OG 3.13Å; K596-S599 PolarHBondContact O-OG 2.71Å; K596-S599 VanDerWaalsContact O-OG 3.07Å
600	K	94.6	Very high	94.7	Very high	118 Å²	118	59.6 Å²	59.6	51%	0.513	28%	0.283	S	S	.	.	H	α-helix	trans	-86.4	-9.1	172.3	-61.7	174.7	174.1	-175.8	0	115.1	K596 H597 V598 E602	K596-K600 WeakPolarHBondContact O-CG 3.33Å; H597-K600 PolarHBondContact O-N 3.24Å; V598-K600 PolarHBondContact O-N 3.39Å; K600-E602 VanDerWaalsContact C-N 3.3Å; K600-E602 HydrophobicContact CB-CG 3.87Å; K600-E602 HydrophobicContact CD-CG 3.99Å; K600-E602 WeakPolarHBondContact CD-OE1 3.03Å; K600-E602 WeakPolarHBondContact CD-OE2 3.5Å; K600-E602 IonicContact NZ-OE1 2.73Å; K600-E602 PolarHBondContact NZ-OE1 2.78Å; K600-E602 IonicContact NZ-OE2 2.71Å; K600-E602 PolarHBondContact NZ-OE2 3.06Å; K600-E602 PolarHBondContact O-N 3.04Å
601	R	93.3	Very high	95	Very high	144 Å²	144	55.2 Å²	55.2	54%	0.543	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.4	28.8	-170.6	-50.1	-177.7	177.8	-140.9	-4.4	114.6	H597 V598 F603	H597-R601 PolarHBondContact O-N 3.44Å; V598-R601 PolarHBondContact O-N 3.42Å; R601-F603 HydrophobicContact CB-CD2 4.5Å; R601-F603 HydrophobicContact CB-CE1 4.39Å; R601-F603 HydrophobicContact CB-CE2 3.88Å; R601-F603 HydrophobicContact CB-CZ 3.81Å; R601-F603 HydrophobicContact CG-CE2 4.33Å; R601-F603 HydrophobicContact CG-CZ 3.95Å; R601-F603 PolarHBondContact O-N 3.09Å
602	E	94.1	Very high	95.2	Very high	69 Å²	69	54.9 Å²	54.9	32%	0.322	26%	0.258	S	S	.	.			trans	-76.5	50.4	174.7	-70.7	175.4	168.4	0	0	111.8	H597 K600 E604 E605	H597-E602 HydrophobicContact CB-CB 4.16Å; H597-E602 IonicContact CE1-OE2 2.83Å; H597-E602 PolarHBondContact CE1-OE2 3.12Å; H597-E602 IonicContact CG-OE2 3.96Å; H597-E602 IonicContact ND1-OE2 2.71Å; H597-E602 PolarHBondContact ND1-OE2 3.39Å; H597-E602 PolarHBondContact O-N 3.38Å; K600-E602 VanDerWaalsContact C-N 3.3Å; K600-E602 HydrophobicContact CB-CG 3.87Å; K600-E602 HydrophobicContact CD-CG 3.99Å; K600-E602 WeakPolarHBondContact CD-OE1 3.03Å; K600-E602 WeakPolarHBondContact CD-OE2 3.5Å; K600-E602 IonicContact NZ-OE1 2.73Å; K600-E602 PolarHBondContact NZ-OE1 2.78Å; K600-E602 IonicContact NZ-OE2 2.71Å; K600-E602 PolarHBondContact NZ-OE2 3.06Å; K600-E602 PolarHBondContact O-N 3.04Å; E602-E604 VanDerWaalsContact C-N 3.3Å; E602-E604 PolarHBondContact O-N 2.88Å; E602-E605 PolarHBondContact O-N 2.99Å
603	F	95.6	Very high	95.4	Very high	16 Å²	16	51.3 Å²	51.3	7%	0.07	24%	0.243	C	C	.	.	H	α-helix	trans	-65.2	-29.4	-170.9	-52.9	-46.6	0	0	0	113.8	V598 R601 E605 L606 M607 P633 W663	V598-F603 HydrophobicContact CB-CE1 4.46Å; V598-F603 HydrophobicContact CG1-CE1 4.28Å; V598-F603 HydrophobicContact CG2-CE1 4.32Å; R601-F603 HydrophobicContact CB-CD2 4.5Å; R601-F603 HydrophobicContact CB-CE1 4.39Å; R601-F603 HydrophobicContact CB-CE2 3.88Å; R601-F603 HydrophobicContact CB-CZ 3.81Å; R601-F603 HydrophobicContact CG-CE2 4.33Å; R601-F603 HydrophobicContact CG-CZ 3.95Å; R601-F603 PolarHBondContact O-N 3.09Å; F603-E605 VanDerWaalsContact C-N 3.31Å; F603-E605 PolarHBondContact O-N 2.77Å; F603-L606 WeakPolarHBondContact O-CB 3.25Å; F603-L606 PolarHBondContact O-N 2.86Å; F603-L606 VanDerWaalsContact O-N 3.15Å; F603-M607 WeakPolarHBondContact O-CG 3.43Å; F603-M607 PolarHBondContact O-N 2.96Å; F603-M607 VanDerWaalsContact O-N 3.16Å; F603-P633 HydrophobicContact CE1-CB 3.83Å; F603-P633 HydrophobicContact CZ-CB 3.76Å; F603-P633 HydrophobicContact CZ-CG 4.44Å; F603-W663 HydrophobicContact CB-CH2 4.3Å; F603-W663 HydrophobicContact CB-CZ2 4.12Å; F603-W663 HydrophobicContact CD1-CH2 4.37Å; F603-W663 AromaticContact CD1-CZ2 3.99Å; F603-W663 HydrophobicContact CD1-CZ2 3.99Å; F603-W663 HydrophobicContact CG-CZ2 4.21Å
604	E	92.9	Very high	95.4	Very high	114 Å²	114	50.4 Å²	50.4	53%	0.533	23%	0.234	S	C	.	.	H	α-helix	trans	-62.6	-35.7	-178.8	-61.9	-171.7	-131.1	0	0	112.8	E602 L606 M607 K629	E602-E604 VanDerWaalsContact C-N 3.3Å; E602-E604 PolarHBondContact O-N 2.88Å; E604-L606 VanDerWaalsContact C-N 3.34Å; E604-M607 WeakPolarHBondContact O-CB 3.23Å; E604-M607 PolarHBondContact O-N 3.16Å; E604-K629 VanDerWaalsContact OE1-CE 3.3Å; E604-K629 WeakPolarHBondContact OE1-CE 3.44Å; E604-K629 IonicContact OE1-NZ 3.76Å; E604-K629 PolarHBondContact OE1-NZ 3.21Å; E604-K629 WeakPolarHBondContact OE2-CE 3.46Å; E604-K629 IonicContact OE2-NZ 3.56Å; E604-K629 PolarHBondContact OE2-NZ 2.79Å
605	E	92.3	Very high	95.4	Very high	110 Å²	110	51 Å²	51	51%	0.514	24%	0.237	S	C	.	.	H	α-helix	trans	-66.5	-38.3	175.9	-61.6	-59.7	150.6	0	0	111.3	E602 F603 M607 F608	E602-E605 PolarHBondContact O-N 2.99Å; F603-E605 VanDerWaalsContact C-N 3.31Å; F603-E605 PolarHBondContact O-N 2.77Å; E605-M607 VanDerWaalsContact C-N 3.28Å; E605-M607 PolarHBondContact O-N 2.86Å; E605-F608 WeakPolarHBondContact O-CD2 3.43Å; E605-F608 PolarHBondContact O-N 3.31Å
606	L	95.9	Very high	95.4	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-68.8	-24.9	176.5	-63	177.8	0	0	0	112.8	L589 I594 H597 V598 F603 E604 F608 A609 D610 W663	L589-L606 HydrophobicContact CD1-CD2 3.57Å; I594-L606 HydrophobicContact CG1-CD2 4.25Å; I594-L606 HydrophobicContact CG2-CD1 4.48Å; H597-L606 HydrophobicContact CB-CD1 3.77Å; H597-L606 HydrophobicContact CB-CD2 3.84Å; H597-L606 HydrophobicContact CB-CG 3.71Å; V598-L606 HydrophobicContact CG2-CD1 3.86Å; F603-L606 WeakPolarHBondContact O-CB 3.25Å; F603-L606 PolarHBondContact O-N 2.86Å; F603-L606 VanDerWaalsContact O-N 3.15Å; E604-L606 VanDerWaalsContact C-N 3.34Å; L606-F608 PolarHBondContact O-N 3.47Å; L606-A609 CarbonylContact O-C 3.54Å; L606-A609 WeakPolarHBondContact O-CA 3.47Å; L606-A609 PolarHBondContact O-N 3.36Å; L606-D610 PolarHBondContact O-N 2.75Å; L606-W663 HydrophobicContact CB-CH2 3.72Å; L606-W663 HydrophobicContact CB-CZ3 3.75Å; L606-W663 HydrophobicContact CD1-CH2 3.8Å; L606-W663 HydrophobicContact CD1-CZ3 4.31Å; L606-W663 HydrophobicContact CG-CH2 4.42Å
607	M	96	Very high	95.2	Very high	31 Å²	31	53.8 Å²	53.8	15%	0.153	25%	0.249	C	C	.	.	H	α-helix	trans	-66.1	-22.1	176.4	-64.1	-49.2	-54.2	0	0	113.2	F603 E604 E605 A609 D610 T613 I630 W663	F603-M607 WeakPolarHBondContact O-CG 3.43Å; F603-M607 PolarHBondContact O-N 2.96Å; F603-M607 VanDerWaalsContact O-N 3.16Å; E604-M607 WeakPolarHBondContact O-CB 3.23Å; E604-M607 PolarHBondContact O-N 3.16Å; E605-M607 VanDerWaalsContact C-N 3.28Å; E605-M607 PolarHBondContact O-N 2.86Å; M607-A609 PolarHBondContact O-N 3.09Å; M607-D610 HydrophobicContact CE-CB 3.79Å; M607-D610 WeakPolarHBondContact CE-OD2 3.49Å; M607-D610 HydrophobicContact SD-CB 4.46Å; M607-T613 WeakPolarHBondContact CE-OG1 3.48Å; M607-I630 HydrophobicContact CE-CD1 3.91Å; M607-I630 HydrophobicContact SD-CB 4.16Å; M607-I630 HydrophobicContact SD-CD1 4.11Å; M607-I630 HydrophobicContact SD-CG2 4.4Å; M607-W663 HydrophobicContact SD-CE3 4.22Å; M607-W663 HydrophobicContact SD-CH2 4.4Å; M607-W663 HydrophobicContact SD-CZ3 4.13Å
608	F	94.3	Very high	94.9	Very high	140 Å²	140	59 Å²	59	61%	0.614	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-20.5	169.9	-62.3	-66.3	0	0	0	112.9	E605 L606 R614	E605-F608 WeakPolarHBondContact O-CD2 3.43Å; E605-F608 PolarHBondContact O-N 3.31Å; L606-F608 PolarHBondContact O-N 3.47Å; F608-R614 WeakPolarHBondContact O-CD 3.19Å; F608-R614 PolarHBondContact O-NE 2.96Å
609	A	96.6	Very high	94.6	Very high	11 Å²	11	61.5 Å²	61.5	9%	0.091	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105	-9	176.8	0	0	0	0	0	114	V587 D588 L589 L606 M607 Q611 R614	V587-A609 HydrophobicContact CG1-CB 3.74Å; D588-A609 PolarHBondContact N-O 2.79Å; L589-A609 HydrophobicContact CD1-CB 3.67Å; L589-A609 HydrophobicContact CD2-CB 4.43Å; L589-A609 HydrophobicContact CG-CB 3.6Å; L606-A609 CarbonylContact O-C 3.54Å; L606-A609 WeakPolarHBondContact O-CA 3.47Å; L606-A609 PolarHBondContact O-N 3.36Å; M607-A609 PolarHBondContact O-N 3.09Å; A609-Q611 PolarHBondContact O-N 2.73Å; A609-R614 VanDerWaalsContact O-CZ 3.26Å; A609-R614 PolarHBondContact O-NE 3.43Å; A609-R614 PolarHBondContact O-NH2 3.46Å
610	D	98.2	Very high	94.3	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-57.5	126.1	167.9	171.9	46.4	0	0	0	110.3	L606 M607 L612 T613 R614 R666	L606-D610 PolarHBondContact O-N 2.75Å; M607-D610 HydrophobicContact CE-CB 3.79Å; M607-D610 WeakPolarHBondContact CE-OD2 3.49Å; M607-D610 HydrophobicContact SD-CB 4.46Å; D610-L612 PolarHBondContact OD1-N 2.78Å; D610-T613 WeakPolarHBondContact OD2-CB 3.34Å; D610-T613 PolarHBondContact OD2-N 3.12Å; D610-T613 PolarHBondContact OD2-OG1 2.9Å; D610-R614 PolarHBondContact O-N 3.12Å; D610-R614 PolarHBondContact O-NE 3.28Å; D610-R614 VanDerWaalsContact O-NE 3.09Å; D610-R666 IonicContact OD1-CZ 3.86Å; D610-R666 IonicContact OD1-NH1 2.67Å; D610-R666 PolarHBondContact OD1-NH1 3.02Å; D610-R666 IonicContact OD1-NH2 3.71Å; D610-R666 IonicContact OD2-CZ 3.89Å; D610-R666 IonicContact OD2-NH1 3.69Å; D610-R666 PolarHBondContact OD2-NH1 2.89Å; D610-R666 IonicContact OD2-NH2 3.32Å; D610-R666 PolarHBondContact OD2-NH2 3.36Å
611	Q	98.4	Very high	94.2	Very high	3 Å²	3	58.6 Å²	58.6	1%	0.014	26%	0.255	C	S	.	.	H	α-helix	trans	-65.8	-40.4	179.4	-71.4	168.9	-3.7	0	0	111.6	S541 V544 Y585 R586 D588 A609 T613 R614 E615	S541-Q611 PolarHBondContact O-NE2 2.67Å; V544-Q611 HydrophobicContact CG2-CB 4.44Å; V544-Q611 HydrophobicContact CG2-CG 4Å; Y585-Q611 HydrophobicContact CD1-CB 3.82Å; Y585-Q611 HydrophobicContact CG-CB 4.44Å; R586-Q611 WeakPolarHBondContact O-CB 3.09Å; R586-Q611 WeakPolarHBondContact O-CG 3.28Å; R586-Q611 PolarHBondContact O-N 2.74Å; D588-Q611 PolarHBondContact OD1-NE2 3.45Å; A609-Q611 PolarHBondContact O-N 2.73Å; Q611-T613 PolarHBondContact O-N 2.71Å; Q611-R614 VanDerWaalsContact CA-NH2 3.31Å; Q611-R614 PolarHBondContact O-N 3.38Å; Q611-E615 WeakPolarHBondContact O-CB 3.3Å; Q611-E615 WeakPolarHBondContact O-CG 3.47Å; Q611-E615 PolarHBondContact O-N 3.38Å
612	L	98.4	Very high	94.3	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-65.1	-43.3	-177.9	178.9	56.6	0	0	0	111.5	L583 Y585 D610 E615 R616 F622 R666 L668	L583-L612 HydrophobicContact CD1-CD2 3.73Å; Y585-L612 HydrophobicContact CD1-CB 4.23Å; Y585-L612 HydrophobicContact CD2-CB 3.93Å; Y585-L612 HydrophobicContact CD2-CD1 4.04Å; Y585-L612 HydrophobicContact CD2-CD2 4.38Å; Y585-L612 HydrophobicContact CD2-CG 4.34Å; Y585-L612 HydrophobicContact CE2-CD1 3.82Å; Y585-L612 HydrophobicContact CG-CB 3.77Å; D610-L612 PolarHBondContact OD1-N 2.78Å; L612-E615 PolarHBondContact O-N 2.82Å; L612-R616 HydrophobicContact CD1-CG 4.1Å; L612-R616 WeakPolarHBondContact O-CB 3.12Å; L612-R616 WeakPolarHBondContact O-CG 3.42Å; L612-R616 PolarHBondContact O-N 3.27Å; L612-F622 HydrophobicContact CD1-CD2 3.61Å; L612-F622 HydrophobicContact CD1-CE2 4.04Å; L612-F622 HydrophobicContact CD1-CG 4.45Å; L612-R666 HydrophobicContact CD2-CB 4.38Å; L612-R666 HydrophobicContact CD2-CG 3.99Å; L612-L668 HydrophobicContact CD2-CD1 4.16Å; L612-L668 HydrophobicContact CD2-CD2 4.48Å
613	T	96.9	Very high	94	Very high	22 Å²	22	49.6 Å²	49.6	14%	0.135	22%	0.218	C	C	.	.	H	α-helix	trans	-60.3	-46.5	176.2	-65.4	0	0	0	0	111.5	M607 D610 Q611 R616 Q617	M607-T613 WeakPolarHBondContact CE-OG1 3.48Å; D610-T613 WeakPolarHBondContact OD2-CB 3.34Å; D610-T613 PolarHBondContact OD2-N 3.12Å; D610-T613 PolarHBondContact OD2-OG1 2.9Å; Q611-T613 PolarHBondContact O-N 2.71Å; T613-R616 PolarHBondContact O-N 3.36Å; T613-Q617 WeakPolarHBondContact O-CB 3.37Å; T613-Q617 VanDerWaalsContact O-CG 3.24Å; T613-Q617 WeakPolarHBondContact O-CG 3.24Å; T613-Q617 PolarHBondContact O-N 2.82Å
614	R	96.1	Very high	93.7	Very high	43 Å²	43	52.9 Å²	52.9	16%	0.162	24%	0.237	C	C	.	.	H	α-helix	trans	-65.4	-43.3	176.7	-75.3	176.3	-70.2	147.2	16.4	112.7	D588 F608 A609 D610 Q611 R616 Q617 R618	D588-R614 IonicContact OD1-NH2 3.3Å; D588-R614 IonicContact OD2-CZ 3.78Å; D588-R614 VanDerWaalsContact OD2-CZ 3.22Å; D588-R614 IonicContact OD2-NH1 2.7Å; D588-R614 PolarHBondContact OD2-NH1 3.33Å; D588-R614 IonicContact OD2-NH2 2.7Å; D588-R614 PolarHBondContact OD2-NH2 2.88Å; F608-R614 WeakPolarHBondContact O-CD 3.19Å; F608-R614 PolarHBondContact O-NE 2.96Å; A609-R614 VanDerWaalsContact O-CZ 3.26Å; A609-R614 PolarHBondContact O-NE 3.43Å; A609-R614 PolarHBondContact O-NH2 3.46Å; D610-R614 PolarHBondContact O-N 3.12Å; D610-R614 PolarHBondContact O-NE 3.28Å; D610-R614 VanDerWaalsContact O-NE 3.09Å; Q611-R614 VanDerWaalsContact CA-NH2 3.31Å; Q611-R614 PolarHBondContact O-N 3.38Å; R614-R616 VanDerWaalsContact C-N 3.33Å; R614-R616 PolarHBondContact O-N 3.17Å; R614-Q617 PolarHBondContact O-N 2.76Å; R614-R618 WeakPolarHBondContact O-CB 3.2Å; R614-R618 WeakPolarHBondContact O-CD 3.47Å; R614-R618 WeakPolarHBondContact O-CG 3.24Å; R614-R618 PolarHBondContact O-N 3.05Å
615	E	95.4	Very high	93.8	Very high	13 Å²	13	48 Å²	48	6%	0.061	21%	0.214	C	C	.	.	H	α-helix	trans	-69.4	-30.4	179.6	-67.7	-57.8	99.7	0	0	112.6	V544 N548 Q611 L612 R618 R619 K620	V544-E615 HydrophobicContact CG1-CG 3.7Å; N548-E615 PolarHBondContact ND2-OE2 2.75Å; Q611-E615 WeakPolarHBondContact O-CB 3.3Å; Q611-E615 WeakPolarHBondContact O-CG 3.47Å; Q611-E615 PolarHBondContact O-N 3.38Å; L612-E615 PolarHBondContact O-N 2.82Å; E615-R618 WeakPolarHBondContact OE1-CD 3.32Å; E615-R618 IonicContact OE1-CZ 2.62Å; E615-R618 IonicContact OE1-NE 3.44Å; E615-R618 IonicContact OE1-NH1 3.78Å; E615-R618 PolarHBondContact OE1-NH1 2.94Å; E615-R619 PolarHBondContact O-N 3.24Å; E615-K620 HydrophobicContact CB-CB 4.34Å; E615-K620 PolarHBondContact O-N 2.77Å; E615-K620 VanDerWaalsContact OE2-CB 3.28Å; E615-K620 WeakPolarHBondContact OE2-CB 3.4Å
616	R	94.5	Very high	94.1	Very high	51 Å²	51	48.9 Å²	48.9	19%	0.192	22%	0.216	C	C	.	.	H	α-helix	trans	-67	-47.1	168.5	-78.1	167.8	66.5	-148.5	4.7	112.3	L612 T613 R614 R618 R619 A621 F622 F625 E627	L612-R616 HydrophobicContact CD1-CG 4.1Å; L612-R616 WeakPolarHBondContact O-CB 3.12Å; L612-R616 WeakPolarHBondContact O-CG 3.42Å; L612-R616 PolarHBondContact O-N 3.27Å; T613-R616 PolarHBondContact O-N 3.36Å; R614-R616 VanDerWaalsContact C-N 3.33Å; R614-R616 PolarHBondContact O-N 3.17Å; R616-R618 VanDerWaalsContact C-N 3.25Å; R616-R618 PolarHBondContact O-N 3.34Å; R616-R619 PolarHBondContact O-N 2.99Å; R616-A621 WeakPolarHBondContact CG-O 3.19Å; R616-F622 HydrophobicContact CG-CB 3.78Å; R616-F625 PolarHBondContact NH2-O 3.24Å; R616-E627 IonicContact CZ-OE2 3.12Å; R616-E627 VanDerWaalsContact NH1-CB 3.34Å; R616-E627 IonicContact NH1-OE2 3.81Å; R616-E627 PolarHBondContact NH1-OE2 2.85Å
617	Q	90.9	Very high	94.2	Very high	127 Å²	127	50.3 Å²	50.3	59%	0.593	22%	0.222	S	C	*	.	H	α-helix	trans	-58.7	-37.5	174.6	-72.6	168.8	-0.1	0	0	112	T613 R614 R619	T613-Q617 WeakPolarHBondContact O-CB 3.37Å; T613-Q617 VanDerWaalsContact O-CG 3.24Å; T613-Q617 WeakPolarHBondContact O-CG 3.24Å; T613-Q617 PolarHBondContact O-N 2.82Å; R614-Q617 PolarHBondContact O-N 2.76Å; Q617-R619 VanDerWaalsContact C-N 3.28Å; Q617-R619 PolarHBondContact O-N 2.82Å
618	R	89.7	Confident	94.3	Very high	147 Å²	147	52.1 Å²	52.1	56%	0.555	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-1.2	175.7	-68.8	163.1	174.5	176.2	-2.8	114.6	R614 E615 R616 K620	R614-R618 WeakPolarHBondContact O-CB 3.2Å; R614-R618 WeakPolarHBondContact O-CD 3.47Å; R614-R618 WeakPolarHBondContact O-CG 3.24Å; R614-R618 PolarHBondContact O-N 3.05Å; E615-R618 WeakPolarHBondContact OE1-CD 3.32Å; E615-R618 IonicContact OE1-CZ 2.62Å; E615-R618 IonicContact OE1-NE 3.44Å; E615-R618 IonicContact OE1-NH1 3.78Å; E615-R618 PolarHBondContact OE1-NH1 2.94Å; R616-R618 VanDerWaalsContact C-N 3.25Å; R616-R618 PolarHBondContact O-N 3.34Å; R618-K620 VanDerWaalsContact C-N 3.3Å; R618-K620 HydrophobicContact CB-CG 4.03Å; R618-K620 PolarHBondContact O-N 3.16Å
619	R	88.6	Confident	94.4	Very high	62 Å²	62	50.8 Å²	50.8	23%	0.234	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	38.2	-176	-49.6	-177.8	-176.1	-174	2.5	113.3	E615 R616 Q617 F623 E835 S899 T901	E615-R619 PolarHBondContact O-N 3.24Å; R616-R619 PolarHBondContact O-N 2.99Å; Q617-R619 VanDerWaalsContact C-N 3.28Å; Q617-R619 PolarHBondContact O-N 2.82Å; R619-F623 HydrophobicContact CB-CD2 3.98Å; R619-F623 HydrophobicContact CB-CE2 4.38Å; R619-F623 VanDerWaalsContact CD-CE2 3.47Å; R619-F623 HydrophobicContact CG-CD2 3.74Å; R619-F623 HydrophobicContact CG-CE2 3.78Å; R619-E835 VanDerWaalsContact CD-OE2 3.3Å; R619-E835 WeakPolarHBondContact CD-OE2 3.35Å; R619-E835 IonicContact CZ-OE2 3.22Å; R619-E835 IonicContact NE-OE2 3.71Å; R619-E835 IonicContact NH1-OE1 2.7Å; R619-E835 IonicContact NH1-OE2 2.68Å; R619-E835 PolarHBondContact NH1-OE2 3.05Å; R619-S899 PolarHBondContact NH2-O 3.26Å; R619-T901 PolarHBondContact NE-OG1 3.09Å; R619-T901 PolarHBondContact NH1-OG1 3.35Å
620	K	87.8	Confident	94.4	Very high	127 Å²	127	50.7 Å²	50.7	55%	0.552	22%	0.222	S	C	*	.	S	Bend	trans	-103.8	-21.4	-179.2	-69.3	-55.9	-171.2	-178.1	0	115	E615 R618	E615-K620 HydrophobicContact CB-CB 4.34Å; E615-K620 PolarHBondContact O-N 2.77Å; E615-K620 VanDerWaalsContact OE2-CB 3.28Å; E615-K620 WeakPolarHBondContact OE2-CB 3.4Å; R618-K620 VanDerWaalsContact C-N 3.3Å; R618-K620 HydrophobicContact CB-CG 4.03Å; R618-K620 PolarHBondContact O-N 3.16Å
621	A	93	Very high	94.3	Very high	1 Å²	1	53 Å²	53	1%	0.008	24%	0.241	C	C	.	.	S	Bend	trans	-149.1	157	168.1	0	0	0	0	0	109.5	F551 R616 F623	F551-A621 HydrophobicContact CD1-CB 3.99Å; F551-A621 HydrophobicContact CE1-CB 4.5Å; F551-A621 HydrophobicContact CG-CB 4.42Å; R616-A621 WeakPolarHBondContact CG-O 3.19Å; A621-F623 VanDerWaalsContact C-N 3.27Å; A621-F623 PolarHBondContact O-N 2.95Å
622	F	94.6	Very high	94.3	Very high	1 Å²	1	52.8 Å²	52.8	0%	0.004	24%	0.241	C	C	.	.	S	Bend	trans	51	40.7	174.5	-64.4	-85.7	0	0	0	114.4	F551 W579 L583 Y585 L612 R616 N624 F625 L668	F551-F622 HydrophobicContact CB-CE2 4.22Å; F551-F622 AromaticContact CD2-CD1 3.84Å; F551-F622 HydrophobicContact CD2-CD1 3.84Å; F551-F622 AromaticContact CD2-CD2 3.95Å; F551-F622 HydrophobicContact CD2-CD2 3.95Å; F551-F622 AromaticContact CD2-CE1 3.59Å; F551-F622 HydrophobicContact CD2-CE1 3.59Å; F551-F622 AromaticContact CD2-CE2 3.7Å; F551-F622 HydrophobicContact CD2-CE2 3.7Å; F551-F622 HydrophobicContact CD2-CG 4.02Å; F551-F622 AromaticContact CD2-CZ 3.51Å; F551-F622 HydrophobicContact CD2-CZ 3.51Å; F551-F622 AromaticContact CE2-CD1 3.56Å; F551-F622 HydrophobicContact CE2-CD1 3.56Å; F551-F622 HydrophobicContact CE2-CD2 4.24Å; F551-F622 AromaticContact CE2-CE1 3.71Å; F551-F622 HydrophobicContact CE2-CE1 3.71Å; F551-F622 HydrophobicContact CE2-CE2 4.36Å; F551-F622 AromaticContact CE2-CG 3.84Å; F551-F622 HydrophobicContact CE2-CG 3.84Å; F551-F622 HydrophobicContact CE2-CZ 4.12Å; F551-F622 HydrophobicContact CG-CD2 4.23Å; F551-F622 HydrophobicContact CG-CE2 4.03Å; F551-F622 HydrophobicContact CG-CZ 4.25Å; F551-F622 HydrophobicContact CZ-CD1 4.37Å; F551-F622 HydrophobicContact CZ-CG 4.33Å; F551-F622 VanDerWaalsContact CZ-N 3.27Å; W579-F622 HydrophobicContact CB-CE1 4.36Å; W579-F622 AromaticContact CD1-CE1 3.77Å; W579-F622 AromaticContact CD2-CE1 3.73Å; W579-F622 HydrophobicContact CD2-CE1 3.73Å; W579-F622 HydrophobicContact CD2-CZ 4.43Å; W579-F622 AromaticContact CE2-CE1 3.81Å; W579-F622 HydrophobicContact CE3-CE1 4.34Å; W579-F622 AromaticContact CG-CE1 3.72Å; W579-F622 HydrophobicContact CG-CE1 3.72Å; W579-F622 HydrophobicContact CG-CZ 4.48Å; W579-F622 HydrophobicContact CZ2-CE1 4.47Å; W579-F622 AromaticContact NE1-CE1 3.85Å; W579-F622 AromaticContact NE1-CZ 3.89Å; L583-F622 HydrophobicContact CD1-CE2 4.14Å; L583-F622 HydrophobicContact CD1-CZ 3.88Å; L583-F622 HydrophobicContact CD2-CZ 4.33Å; Y585-F622 HydrophobicContact CE2-CE2 4.35Å; L612-F622 HydrophobicContact CD1-CD2 3.61Å; L612-F622 HydrophobicContact CD1-CE2 4.04Å; L612-F622 HydrophobicContact CD1-CG 4.45Å; R616-F622 HydrophobicContact CG-CB 3.78Å; F622-N624 PolarHBondContact O-N 2.87Å; F622-F625 HydrophobicContact CB-CB 4.11Å; F622-F625 HydrophobicContact CB-CD2 4.24Å; F622-F625 HydrophobicContact CB-CG 4.3Å; F622-F625 HydrophobicContact CD1-CD1 4.28Å; F622-F625 HydrophobicContact CD1-CD2 4.35Å; F622-F625 HydrophobicContact CD1-CG 4.16Å; F622-F625 WeakPolarHBondContact O-CB 3.41Å; F622-F625 PolarHBondContact O-N 3.33Å; F622-F625 VanDerWaalsContact O-N 3.11Å; F622-L668 HydrophobicContact CB-CD2 4.23Å; F622-L668 HydrophobicContact CD1-CD2 4.22Å; F622-L668 HydrophobicContact CG-CD2 4.24Å
623	F	88.3	Confident	94.3	Very high	22 Å²	22	53.1 Å²	53.1	10%	0.096	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	133.1	179.9	-179.2	-127.6	0	0	0	111.7	R619 A621 F625 T830 E835	R619-F623 HydrophobicContact CB-CD2 3.98Å; R619-F623 HydrophobicContact CB-CE2 4.38Å; R619-F623 VanDerWaalsContact CD-CE2 3.47Å; R619-F623 HydrophobicContact CG-CD2 3.74Å; R619-F623 HydrophobicContact CG-CE2 3.78Å; A621-F623 VanDerWaalsContact C-N 3.27Å; A621-F623 PolarHBondContact O-N 2.95Å; F623-F625 WeakPolarHBondContact O-CD2 3.37Å; F623-F625 PolarHBondContact O-N 3.39Å; F623-F625 VanDerWaalsContact O-N 3.14Å; F623-T830 HydrophobicContact CD1-CG2 3.67Å; F623-T830 HydrophobicContact CE1-CG2 3.59Å; F623-E835 HydrophobicContact CE1-CB 3.97Å; F623-E835 HydrophobicContact CE1-CG 4.2Å; F623-E835 HydrophobicContact CZ-CB 4.35Å; F623-E835 HydrophobicContact CZ-CG 4.32Å
624	N	89.2	Confident	94.3	Very high	86 Å²	86	52 Å²	52	46%	0.46	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	58	12.3	-172.7	-64.8	-26.4	0	0	0	116.2	F622	F622-N624 PolarHBondContact O-N 2.87Å
625	F	95.9	Very high	94.5	Very high	11 Å²	11	50 Å²	50	5%	0.048	23%	0.228	C	C	.	.			trans	-82	134.4	165.5	-74	-109.5	0	0	0	110.9	F551 L577 W579 R616 F622 F623 L668 W669 K670	F551-F625 HydrophobicContact CE2-CE2 4.43Å; F551-F625 HydrophobicContact CZ-CE2 4.4Å; L577-F625 HydrophobicContact CD2-CE1 3.92Å; L577-F625 HydrophobicContact CD2-CZ 3.75Å; L577-F625 HydrophobicContact CG-CE1 4.28Å; W579-F625 HydrophobicContact CB-CE1 4.13Å; W579-F625 HydrophobicContact CE3-CE1 4.2Å; W579-F625 HydrophobicContact CE3-CZ 4.08Å; R616-F625 PolarHBondContact NH2-O 3.24Å; F622-F625 HydrophobicContact CB-CB 4.11Å; F622-F625 HydrophobicContact CB-CD2 4.24Å; F622-F625 HydrophobicContact CB-CG 4.3Å; F622-F625 HydrophobicContact CD1-CD1 4.28Å; F622-F625 HydrophobicContact CD1-CD2 4.35Å; F622-F625 HydrophobicContact CD1-CG 4.16Å; F622-F625 WeakPolarHBondContact O-CB 3.41Å; F622-F625 PolarHBondContact O-N 3.33Å; F622-F625 VanDerWaalsContact O-N 3.11Å; F623-F625 WeakPolarHBondContact O-CD2 3.37Å; F623-F625 PolarHBondContact O-N 3.39Å; F623-F625 VanDerWaalsContact O-N 3.14Å; F625-L668 HydrophobicContact CB-CB 4.37Å; F625-L668 HydrophobicContact CB-CD2 4.29Å; F625-L668 HydrophobicContact CD1-CB 4.3Å; F625-W669 CarbonylContact C-O 3.59Å; F625-W669 WeakPolarHBondContact CA-O 3.24Å; F625-K670 HydrophobicContact CD1-CB 3.87Å; F625-K670 HydrophobicContact CD2-CB 4.32Å; F625-K670 HydrophobicContact CD2-CD 4.33Å; F625-K670 HydrophobicContact CE1-CB 3.9Å; F625-K670 HydrophobicContact CE2-CB 4.36Å; F625-K670 HydrophobicContact CE2-CD 4.08Å; F625-K670 HydrophobicContact CG-CB 4.09Å; F625-K670 HydrophobicContact CZ-CB 4.16Å; F625-K670 HydrophobicContact CZ-CD 4.42Å
626	K	97.6	Very high	94.6	Very high	128 Å²	128	50.4 Å²	50.4	56%	0.557	23%	0.229	S	C	*	.	B	Isolated β-bridge	trans	-84.4	154.5	170.1	-64.8	177.8	-178.8	176.7	0	110.4	L668 W669	K626-L668 CarbonylContact O-C 3.56Å; K626-L668 VanDerWaalsContact O-CA 3.24Å; K626-L668 WeakPolarHBondContact O-CA 3.25Å; K626-L668 WeakPolarHBondContact O-CB 3.39Å; K626-W669 HydrophobicContact CB-CD2 3.88Å; K626-W669 HydrophobicContact CB-CE3 4.28Å; K626-W669 HydrophobicContact CB-CG 4.43Å; K626-W669 HydrophobicContact CB-CH2 4.15Å; K626-W669 HydrophobicContact CB-CZ2 3.73Å; K626-W669 HydrophobicContact CB-CZ3 4.42Å; K626-W669 HydrophobicContact CD-CZ2 4.21Å; K626-W669 PolarHBondContact N-O 2.95Å; K626-W669 PolarHBondContact O-N 2.71Å
627	E	98.4	Very high	94.6	Very high	30 Å²	30	49.7 Å²	49.7	14%	0.14	23%	0.227	C	C	.	.			trans	-143.9	144.8	169.4	-177.7	174.1	-157	0	0	105.3	R616 R666 L668 Y682	R616-E627 IonicContact CZ-OE2 3.12Å; R616-E627 VanDerWaalsContact NH1-CB 3.34Å; R616-E627 IonicContact NH1-OE2 3.81Å; R616-E627 PolarHBondContact NH1-OE2 2.85Å; E627-R666 IonicContact OE1-CZ 3.22Å; E627-R666 IonicContact OE1-NE 2.93Å; E627-R666 PolarHBondContact OE1-NE 2.93Å; E627-R666 IonicContact OE1-NH2 2.6Å; E627-R666 PolarHBondContact OE1-NH2 3.21Å; E627-R666 IonicContact OE2-CZ 2.82Å; E627-R666 IonicContact OE2-NE 4Å; E627-R666 IonicContact OE2-NH2 3.74Å; E627-R666 PolarHBondContact OE2-NH2 3.03Å; E627-L668 HydrophobicContact CB-CD2 4.18Å; E627-L668 HydrophobicContact CB-CG 4.09Å; E627-L668 HydrophobicContact CG-CG 4.37Å; E627-Y682 HydrophobicContact CG-CE1 3.8Å; E627-Y682 PolarHBondContact OE1-OH 3.41Å
628	E	97.4	Very high	94.9	Very high	70 Å²	70	44 Å²	44	33%	0.327	20%	0.2	S	C	.	.	P	Polyproline II helix	trans	-80.8	156.4	178.2	-170.9	51.2	-98.6	0	0	110.3	I630 W669 C679 Y682	E628-I630 PolarHBondContact O-N 3.22Å; E628-I630 VanDerWaalsContact O-N 3.1Å; E628-W669 HydrophobicContact CB-CH2 3.99Å; E628-W669 HydrophobicContact CB-CZ3 4.14Å; E628-C679 HydrophobicContact CB-CB 4.28Å; E628-C679 HydrophobicContact CG-CB 4.17Å; E628-Y682 HydrophobicContact CB-CD1 3.71Å; E628-Y682 HydrophobicContact CB-CG 4.13Å; E628-Y682 HydrophobicContact CG-CD1 4.49Å; E628-Y682 WeakPolarHBondContact O-CD1 3.33Å; E628-Y682 WeakPolarHBondContact O-CE1 3.47Å
629	K	96.2	Very high	95.1	Very high	112 Å²	112	40.6 Å²	40.6	49%	0.487	19%	0.19	S	C	.	.	P	Polyproline II helix	trans	-60.5	116.5	-178.6	177.9	171	168.8	170.4	0	111	E604 A631	E604-K629 VanDerWaalsContact OE1-CE 3.3Å; E604-K629 WeakPolarHBondContact OE1-CE 3.44Å; E604-K629 IonicContact OE1-NZ 3.76Å; E604-K629 PolarHBondContact OE1-NZ 3.21Å; E604-K629 WeakPolarHBondContact OE2-CE 3.46Å; E604-K629 IonicContact OE2-NZ 3.56Å; E604-K629 PolarHBondContact OE2-NZ 2.79Å; K629-A631 PolarHBondContact O-N 2.86Å
630	I	97.1	Very high	95.4	Very high	8 Å²	8	42.6 Å²	42.6	4%	0.041	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-64.3	120.7	174.8	-66	-178.7	0	0	0	109.3	M607 E628 F632 W663 Y682	M607-I630 HydrophobicContact CE-CD1 3.91Å; M607-I630 HydrophobicContact SD-CB 4.16Å; M607-I630 HydrophobicContact SD-CD1 4.11Å; M607-I630 HydrophobicContact SD-CG2 4.4Å; E628-I630 PolarHBondContact O-N 3.22Å; E628-I630 VanDerWaalsContact O-N 3.1Å; I630-F632 HydrophobicContact CB-CE1 4.29Å; I630-F632 HydrophobicContact CD1-CZ 4.49Å; I630-F632 HydrophobicContact CG1-CE1 4.1Å; I630-F632 HydrophobicContact CG1-CZ 4.12Å; I630-F632 HydrophobicContact CG2-CD1 4.06Å; I630-F632 HydrophobicContact CG2-CD2 4.41Å; I630-F632 HydrophobicContact CG2-CE1 4Å; I630-F632 HydrophobicContact CG2-CE2 4.35Å; I630-F632 HydrophobicContact CG2-CG 4.28Å; I630-F632 HydrophobicContact CG2-CZ 4.15Å; I630-F632 WeakPolarHBondContact CG2-O 3.24Å; I630-W663 HydrophobicContact CD1-CB 4.41Å; I630-W663 HydrophobicContact CD1-CG 4.2Å; I630-W663 HydrophobicContact CG2-CD2 4.42Å; I630-W663 HydrophobicContact CG2-CG 4.48Å; I630-W663 HydrophobicContact CG2-CZ2 4.17Å; I630-Y682 HydrophobicContact CG1-CD1 4.4Å; I630-Y682 HydrophobicContact CG1-CE1 3.73Å
631	A	96.2	Very high	95.6	Very high	48 Å²	48	39.2 Å²	39.2	40%	0.397	20%	0.199	S	C	.	.			trans	-125	13.3	178.2	0	0	0	0	0	112.4	K629	K629-A631 PolarHBondContact O-N 2.86Å
632	F	98	Very high	95.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.206	C	C	.	.	S	Bend	trans	-119.2	151.5	-177.6	53.8	-86.4	0	0	0	110.2	L426 I630 T635 W663 Y682 C684 V696	L426-F632 HydrophobicContact CB-CB 4.19Å; I630-F632 HydrophobicContact CB-CE1 4.29Å; I630-F632 HydrophobicContact CD1-CZ 4.49Å; I630-F632 HydrophobicContact CG1-CE1 4.1Å; I630-F632 HydrophobicContact CG1-CZ 4.12Å; I630-F632 HydrophobicContact CG2-CD1 4.06Å; I630-F632 HydrophobicContact CG2-CD2 4.41Å; I630-F632 HydrophobicContact CG2-CE1 4Å; I630-F632 HydrophobicContact CG2-CE2 4.35Å; I630-F632 HydrophobicContact CG2-CG 4.28Å; I630-F632 HydrophobicContact CG2-CZ 4.15Å; I630-F632 WeakPolarHBondContact CG2-O 3.24Å; F632-T635 HydrophobicContact CD2-CG2 4.11Å; F632-T635 HydrophobicContact CE2-CG2 3.8Å; F632-W663 AromaticContact CD2-NE1 3.96Å; F632-W663 AromaticContact CE2-CD1 3.7Å; F632-W663 PolarHBondContact O-NE1 2.83Å; F632-Y682 AromaticContact CE1-CD1 3.83Å; F632-Y682 HydrophobicContact CE1-CD1 3.83Å; F632-Y682 HydrophobicContact CE1-CD2 4.15Å; F632-Y682 AromaticContact CE1-CE1 3.97Å; F632-Y682 HydrophobicContact CE1-CE1 3.97Å; F632-Y682 HydrophobicContact CE1-CE2 4.25Å; F632-Y682 AromaticContact CE1-CG 3.97Å; F632-Y682 HydrophobicContact CE1-CG 3.97Å; F632-Y682 HydrophobicContact CZ-CD1 4.42Å; F632-Y682 HydrophobicContact CZ-CD2 4.4Å; F632-Y682 HydrophobicContact CZ-CE1 4.13Å; F632-Y682 HydrophobicContact CZ-CE2 4.07Å; F632-Y682 AromaticContact CZ-CZ 3.96Å; F632-C684 HydrophobicContact CD2-CB 4.02Å; F632-C684 HydrophobicContact CE2-CB 4.47Å; F632-V696 HydrophobicContact CE2-CG2 4.37Å; F632-V696 HydrophobicContact CZ-CG1 4.46Å
633	P	98	Very high	95.5	Very high	6 Å²	6	41 Å²	41	4%	0.039	21%	0.209	C	C	.	.			trans	-66.2	164.5	-179.3	30.3	-37.1	0	0	0	112.1	L426 V598 F603 T635 W663	L426-P633 HydrophobicContact CD1-CG 3.61Å; V598-P633 HydrophobicContact CG1-CB 4.17Å; F603-P633 HydrophobicContact CE1-CB 3.83Å; F603-P633 HydrophobicContact CZ-CB 3.76Å; F603-P633 HydrophobicContact CZ-CG 4.44Å; P633-T635 PolarHBondContact O-N 3.49Å; P633-W663 VanDerWaalsContact C-NE1 3.27Å; P633-W663 PolarHBondContact O-NE1 2.92Å
634	P	98.4	Very high	95.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.221	C	C	.	.			trans	-49.1	133.2	174.6	-28.6	35	0	0	0	112.7	V598 Y636 Y638 Y646 P661 W663	V598-P634 HydrophobicContact CG2-CG 3.81Å; P634-Y636 VanDerWaalsContact C-N 3.34Å; P634-Y638 VanDerWaalsContact O-CE2 3.29Å; P634-Y638 WeakPolarHBondContact O-CE2 3.48Å; P634-Y638 PolarHBondContact O-OH 2.79Å; P634-Y646 HydrophobicContact CB-CE1 4.35Å; P634-Y646 WeakPolarHBondContact CD-OH 3.38Å; P634-Y646 WeakPolarHBondContact O-CE1 3.31Å; P634-Y646 PolarHBondContact O-OH 2.85Å; P634-P661 HydrophobicContact CB-CB 3.87Å; P634-P661 HydrophobicContact CG-CB 4.09Å; P634-W663 HydrophobicContact CB-CD2 4.41Å; P634-W663 HydrophobicContact CG-CD2 4.2Å; P634-W663 HydrophobicContact CG-CE3 4.33Å; P634-W663 HydrophobicContact CG-CH2 3.94Å; P634-W663 HydrophobicContact CG-CZ2 3.79Å; P634-W663 HydrophobicContact CG-CZ3 4.21Å
635	T	98.5	Very high	95.6	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.205	C	C	.	.			trans	-80.6	-19.9	-172.9	56.3	0	0	0	0	112.9	F632 P633 Y638 S662 D665 C684 H693 S694 V696	F632-T635 HydrophobicContact CD2-CG2 4.11Å; F632-T635 HydrophobicContact CE2-CG2 3.8Å; P633-T635 PolarHBondContact O-N 3.49Å; T635-Y638 VanDerWaalsContact O-CD2 3.3Å; T635-Y638 WeakPolarHBondContact O-CD2 3.34Å; T635-Y638 WeakPolarHBondContact O-CE2 3.38Å; T635-S662 PolarHBondContact N-O 3.19Å; T635-D665 VanDerWaalsContact CB-OD2 3.32Å; T635-D665 WeakPolarHBondContact CB-OD2 3.46Å; T635-D665 HydrophobicContact CG2-CB 4.4Å; T635-D665 PolarHBondContact OG1-N 2.88Å; T635-D665 PolarHBondContact OG1-OD2 3.31Å; T635-C684 HydrophobicContact CG2-CB 4.24Å; T635-H693 CarbonylContact O-C 3.58Å; T635-H693 VanDerWaalsContact O-CA 3.29Å; T635-H693 WeakPolarHBondContact O-CA 3.37Å; T635-S694 PolarHBondContact O-N 2.95Å; T635-V696 HydrophobicContact CG2-CG2 3.49Å; T635-V696 VanDerWaalsContact CG2-CG2 3.49Å
636	Y	98.1	Very high	95.5	Very high	22 Å²	22	40.1 Å²	40.1	9%	0.086	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-129.9	149.5	-179.2	174.2	-101.2	0	0	0	108.8	P634 N659 P661 S662 C664 H693	P634-Y636 VanDerWaalsContact C-N 3.34Å; Y636-N659 HydrophobicContact CE1-CB 4.11Å; Y636-N659 PolarHBondContact OH-OD1 3.23Å; Y636-P661 CarbonylContact O-C 3.51Å; Y636-P661 WeakPolarHBondContact O-CA 3.24Å; Y636-S662 PolarHBondContact N-O 3.35Å; Y636-S662 VanDerWaalsContact N-O 3.14Å; Y636-S662 PolarHBondContact O-N 3.48Å; Y636-C664 VanDerWaalsContact CD1-SG 3.5Å; Y636-H693 AromaticContact CD2-CD2 3.58Å; Y636-H693 AromaticContact CD2-CE1 3.47Å; Y636-H693 VanDerWaalsContact CD2-CE1 3.47Å; Y636-H693 WeakPolarHBondContact CD2-CE1 3.5Å; Y636-H693 AromaticContact CD2-CG 4Å; Y636-H693 AromaticContact CD2-ND1 3.93Å; Y636-H693 AromaticContact CD2-NE2 3.19Å; Y636-H693 WeakPolarHBondContact CD2-NE2 3.44Å; Y636-H693 AromaticContact CE2-NE2 3.48Å; Y636-H693 WeakPolarHBondContact CE2-NE2 3.45Å
637	R	95.7	Very high	95.2	Very high	35 Å²	35	37.1 Å²	37.1	13%	0.132	20%	0.196	C	C	.	.			cis	-113.4	104.7	-3.6	-173.2	174.6	-174.1	-106.6	-14.5	110	Y646 L647 D692	R637-Y646 CarbonylContact O-C 3.58Å; R637-Y646 VanDerWaalsContact O-CA 3.25Å; R637-Y646 WeakPolarHBondContact O-CA 3.43Å; R637-Y646 WeakPolarHBondContact O-CD1 3.46Å; R637-L647 WeakPolarHBondContact CD-O 3.39Å; R637-L647 PolarHBondContact NH1-O 2.83Å; R637-L647 PolarHBondContact O-N 3.36Å; R637-D692 CarbonylContact C-O 3.4Å; R637-D692 WeakPolarHBondContact CA-O 3.36Å; R637-D692 HydrophobicContact CG-CB 3.98Å; R637-D692 IonicContact CZ-OD2 2.89Å; R637-D692 IonicContact NE-OD2 3.56Å; R637-D692 PolarHBondContact NE-OD2 3.38Å; R637-D692 IonicContact NH2-OD2 3.67Å; R637-D692 PolarHBondContact NH2-OD2 2.97Å
638	Y	95.9	Very high	94.7	Very high	7 Å²	7	38 Å²	38	3%	0.027	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-77.8	162.7	-179.4	-72.8	-75.3	0	0	0	112.7	P634 T635 R643 Y646 D692	P634-Y638 VanDerWaalsContact O-CE2 3.29Å; P634-Y638 WeakPolarHBondContact O-CE2 3.48Å; P634-Y638 PolarHBondContact O-OH 2.79Å; T635-Y638 VanDerWaalsContact O-CD2 3.3Å; T635-Y638 WeakPolarHBondContact O-CD2 3.34Å; T635-Y638 WeakPolarHBondContact O-CE2 3.38Å; Y638-R643 VanDerWaalsContact CB-CZ 3.42Å; Y638-R643 HydrophobicContact CD1-CB 4.19Å; Y638-R643 HydrophobicContact CE1-CB 4.04Å; Y638-R643 VanDerWaalsContact CE1-O 3.29Å; Y638-R643 WeakPolarHBondContact CE1-O 3.31Å; Y638-Y646 AromaticContact CD1-CD1 3.92Å; Y638-Y646 HydrophobicContact CD1-CD1 3.92Å; Y638-Y646 AromaticContact CD1-CE1 3.81Å; Y638-Y646 HydrophobicContact CD1-CE1 3.81Å; Y638-Y646 HydrophobicContact CD2-CE1 4.2Å; Y638-Y646 HydrophobicContact CE1-CD1 4.02Å; Y638-Y646 AromaticContact CE1-CE1 3.46Å; Y638-Y646 HydrophobicContact CE1-CE1 3.46Å; Y638-Y646 VanDerWaalsContact CE1-CE1 3.46Å; Y638-Y646 HydrophobicContact CE1-CE2 4.42Å; Y638-Y646 AromaticContact CE1-CZ 3.7Å; Y638-Y646 AromaticContact CE2-CE1 3.89Å; Y638-Y646 HydrophobicContact CE2-CE1 3.89Å; Y638-Y646 HydrophobicContact CG-CD1 4.26Å; Y638-Y646 HydrophobicContact CG-CE1 4.17Å; Y638-Y646 AromaticContact CZ-CE1 3.5Å; Y638-Y646 AromaticContact CZ-CZ 3.74Å; Y638-Y646 PolarHBondContact OH-OH 3.27Å; Y638-Y646 VanDerWaalsContact OH-OH 3.07Å; Y638-D692 PolarHBondContact N-O 2.52Å; Y638-D692 WeakPolarHBondContact O-CB 3.48Å
639	E	94.2	Very high	94.1	Very high	76 Å²	76	38 Å²	38	36%	0.355	20%	0.197	S	C	.	.	P	Polyproline II helix	trans	-65.3	149.4	156.8	-171.8	150.7	-125.6	0	0	111	R643 C645 L647	E639-R643 PolarHBondContact O-NH2 3.18Å; E639-C645 HydrophobicContact CB-CB 4.35Å; E639-C645 PolarHBondContact N-O 3.23Å; E639-C645 VanDerWaalsContact N-O 3.09Å; E639-L647 HydrophobicContact CB-CD1 4.02Å; E639-L647 HydrophobicContact CB-CD2 4.45Å; E639-L647 HydrophobicContact CB-CG 3.94Å; E639-L647 HydrophobicContact CG-CD1 4.06Å; E639-L647 HydrophobicContact CG-CG 4.39Å
640	R	94	Very high	93.2	Very high	105 Å²	105	37.1 Å²	37.1	40%	0.396	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	131.3	173.3	-67	-173.5	-175.7	-170	7.6	108.7	G409 S411 T690 D692	G409-R640 PolarHBondContact O-NH1 3.37Å; G409-R640 PolarHBondContact O-NH2 3.32Å; S411-R640 PolarHBondContact OG-NH1 3.17Å; R640-T690 WeakPolarHBondContact CD-O 3.45Å; R640-D692 HydrophobicContact CG-CB 4.29Å; R640-D692 IonicContact CZ-OD1 2.74Å; R640-D692 VanDerWaalsContact CZ-OD1 3.3Å; R640-D692 IonicContact NE-OD1 3.97Å; R640-D692 PolarHBondContact NE-OD1 3.31Å; R640-D692 VanDerWaalsContact NE-OD1 3.12Å; R640-D692 IonicContact NH2-OD1 3.63Å; R640-D692 PolarHBondContact NH2-OD1 2.9Å
641	G	93.1	Very high	92	Very high	56 Å²	56	44.4 Å²	44.4	58%	0.577	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	94.8	-10.4	-173.3	0	0	0	0	0	116.1	F689	G641-F689 PolarHBondContact N-O 3.49Å
642	S	91.8	Very high	90.5	Very high	23 Å²	23	44 Å²	44	16%	0.161	21%	0.211	C	C	.	.			trans	-146	162.5	177	164.4	0	0	0	0	111.2	D644	S642-D644 WeakPolarHBondContact OG-CB 3.42Å; S642-D644 PolarHBondContact OG-N 3.35Å; S642-D644 PolarHBondContact OG-OD2 3.05Å
643	R	93.5	Very high	88.5	Confident	16 Å²	16	49.8 Å²	49.8	6%	0.06	25%	0.247	C	C	.	.	S	Bend	trans	-116.6	6.4	166.4	-59	-70.5	89.3	145.4	5.3	112.8	Y638 E639 C645 I688 F689 S691 H693 S694	Y638-R643 VanDerWaalsContact CB-CZ 3.42Å; Y638-R643 HydrophobicContact CD1-CB 4.19Å; Y638-R643 HydrophobicContact CE1-CB 4.04Å; Y638-R643 VanDerWaalsContact CE1-O 3.29Å; Y638-R643 WeakPolarHBondContact CE1-O 3.31Å; E639-R643 PolarHBondContact O-NH2 3.18Å; R643-C645 VanDerWaalsContact C-N 3.32Å; R643-I688 PolarHBondContact NH1-O 3.05Å; R643-F689 HydrophobicContact CG-CD1 3.73Å; R643-F689 HydrophobicContact CG-CE1 3.62Å; R643-S691 PolarHBondContact NH1-O 3.01Å; R643-S691 PolarHBondContact NH2-O 3Å; R643-H693 PolarHBondContact NH1-O 3.4Å; R643-S694 VanDerWaalsContact CD-OG 3.26Å; R643-S694 WeakPolarHBondContact CD-OG 3.31Å; R643-S694 PolarHBondContact NH1-OG 3.25Å
644	D	90.8	Very high	86.3	Confident	66 Å²	66	51.2 Å²	51.2	35%	0.353	26%	0.257	S	S	.	.	S	Bend	trans	-79.2	-16.7	-176.5	-51.7	-73	0	0	0	113	S642 L987	S642-D644 WeakPolarHBondContact OG-CB 3.42Å; S642-D644 PolarHBondContact OG-N 3.35Å; S642-D644 PolarHBondContact OG-OD2 3.05Å; D644-L987 WeakPolarHBondContact O-CB 3.44Å; D644-L987 WeakPolarHBondContact O-CD1 3.45Å; D644-L987 VanDerWaalsContact O-CG 3.27Å; D644-L987 WeakPolarHBondContact O-CG 3.31Å; D644-L987 PolarHBondContact O-N 3.43Å
645	C	89.3	Confident	84.9	Confident	18 Å²	18	53 Å²	53	12%	0.122	28%	0.275	C	S	.	.			trans	-134.4	138.4	-171.7	-69.5	0	0	0	0	112.1	E639 R643	E639-C645 HydrophobicContact CB-CB 4.35Å; E639-C645 PolarHBondContact N-O 3.23Å; E639-C645 VanDerWaalsContact N-O 3.09Å; R643-C645 VanDerWaalsContact C-N 3.32Å
646	Y	94.1	Very high	83.8	Confident	17 Å²	17	56.5 Å²	56.5	7%	0.067	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-101.1	129	167.8	-70.7	-71.5	0	0	0	111.6	L595 V598 P634 R637 Y638 W648 P661 L987	L595-Y646 HydrophobicContact CD2-CD2 3.68Å; L595-Y646 HydrophobicContact CD2-CE2 4.43Å; V598-Y646 HydrophobicContact CG1-CE2 4.09Å; P634-Y646 HydrophobicContact CB-CE1 4.35Å; P634-Y646 WeakPolarHBondContact CD-OH 3.38Å; P634-Y646 WeakPolarHBondContact O-CE1 3.31Å; P634-Y646 PolarHBondContact O-OH 2.85Å; R637-Y646 CarbonylContact O-C 3.58Å; R637-Y646 VanDerWaalsContact O-CA 3.25Å; R637-Y646 WeakPolarHBondContact O-CA 3.43Å; R637-Y646 WeakPolarHBondContact O-CD1 3.46Å; Y638-Y646 AromaticContact CD1-CD1 3.92Å; Y638-Y646 HydrophobicContact CD1-CD1 3.92Å; Y638-Y646 AromaticContact CD1-CE1 3.81Å; Y638-Y646 HydrophobicContact CD1-CE1 3.81Å; Y638-Y646 HydrophobicContact CD2-CE1 4.2Å; Y638-Y646 HydrophobicContact CE1-CD1 4.02Å; Y638-Y646 AromaticContact CE1-CE1 3.46Å; Y638-Y646 HydrophobicContact CE1-CE1 3.46Å; Y638-Y646 VanDerWaalsContact CE1-CE1 3.46Å; Y638-Y646 HydrophobicContact CE1-CE2 4.42Å; Y638-Y646 AromaticContact CE1-CZ 3.7Å; Y638-Y646 AromaticContact CE2-CE1 3.89Å; Y638-Y646 HydrophobicContact CE2-CE1 3.89Å; Y638-Y646 HydrophobicContact CG-CD1 4.26Å; Y638-Y646 HydrophobicContact CG-CE1 4.17Å; Y638-Y646 AromaticContact CZ-CE1 3.5Å; Y638-Y646 AromaticContact CZ-CZ 3.74Å; Y638-Y646 PolarHBondContact OH-OH 3.27Å; Y638-Y646 VanDerWaalsContact OH-OH 3.07Å; Y646-W648 PolarHBondContact O-N 3.48Å; Y646-P661 HydrophobicContact CD1-CB 4.02Å; Y646-P661 HydrophobicContact CD1-CG 4.12Å; Y646-P661 HydrophobicContact CD2-CB 4.08Å; Y646-P661 HydrophobicContact CD2-CG 3.74Å; Y646-P661 HydrophobicContact CE1-CB 4.02Å; Y646-P661 HydrophobicContact CE2-CB 4.08Å; Y646-P661 HydrophobicContact CE2-CG 4.22Å; Y646-P661 HydrophobicContact CG-CB 4.05Å; Y646-P661 HydrophobicContact CG-CG 3.69Å; Y646-L987 HydrophobicContact CD2-CD1 3.62Å; Y646-L987 HydrophobicContact CE2-CD1 3.57Å
647	L	91.6	Very high	82.7	Confident	65 Å²	65	59.3 Å²	59.3	34%	0.34	31%	0.307	S	S	.	.			trans	-92.4	72.5	175.4	-64.3	-174.9	0	0	0	111.4	R637 E639	R637-L647 WeakPolarHBondContact CD-O 3.39Å; R637-L647 PolarHBondContact NH1-O 2.83Å; R637-L647 PolarHBondContact O-N 3.36Å; E639-L647 HydrophobicContact CB-CD1 4.02Å; E639-L647 HydrophobicContact CB-CD2 4.45Å; E639-L647 HydrophobicContact CB-CG 3.94Å; E639-L647 HydrophobicContact CG-CD1 4.06Å; E639-L647 HydrophobicContact CG-CG 4.39Å
648	W	86.8	Confident	82.2	Confident	48 Å²	48	61 Å²	61	18%	0.182	32%	0.321	C	S	.	.			trans	-76.8	-16.1	-176.3	60	-89.6	0	0	0	114.7	V591 Y646 V658 N659	V591-W648 HydrophobicContact CB-CD2 4.38Å; V591-W648 HydrophobicContact CB-CE3 4.36Å; V591-W648 HydrophobicContact CG1-CD2 4.2Å; V591-W648 HydrophobicContact CG1-CE3 4.05Å; V591-W648 HydrophobicContact CG1-CH2 4.16Å; V591-W648 HydrophobicContact CG1-CZ2 4.3Å; V591-W648 HydrophobicContact CG1-CZ3 4.02Å; V591-W648 HydrophobicContact CG2-CB 3.97Å; V591-W648 HydrophobicContact CG2-CD2 3.73Å; V591-W648 HydrophobicContact CG2-CE3 4.16Å; V591-W648 HydrophobicContact CG2-CG 3.62Å; Y646-W648 PolarHBondContact O-N 3.48Å; W648-V658 HydrophobicContact CE3-CG1 4.26Å; W648-V658 HydrophobicContact CZ3-CG2 4.47Å; W648-V658 CarbonylContact O-C 3.54Å; W648-V658 WeakPolarHBondContact O-CA 3.38Å; W648-N659 WeakPolarHBondContact CA-O 3.45Å; W648-N659 PolarHBondContact O-N 2.81Å
649	Q	85.1	Confident	81.8	Confident	69 Å²	69	61.1 Å²	61.1	32%	0.322	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	125.4	168.8	-65.6	-176.6	-25.6	0	0	109.7	Y651 V656	Q649-Y651 HydrophobicContact CB-CE2 4.06Å; Q649-Y651 PolarHBondContact OE1-OH 2.91Å; Q649-V656 HydrophobicContact CB-CG1 3.99Å; Q649-V656 HydrophobicContact CG-CG1 4.17Å
650	K	77.1	Confident	81.8	Confident	94 Å²	94	58.4 Å²	58.4	41%	0.409	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	103.7	167.8	-174.7	169.6	-177.4	171.9	0	109.9	R657	K650-R657 PolarHBondContact N-O 3.11Å; K650-R657 PolarHBondContact O-N 3.16Å
651	Y	72.1	Confident	82	Confident	161 Å²	161	53.4 Å²	53.4	63%	0.631	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.5	139.3	170.6	-61	-92.4	0	0	0	110.4	Q649 V656	Q649-Y651 HydrophobicContact CB-CE2 4.06Å; Q649-Y651 PolarHBondContact OE1-OH 2.91Å; Y651-V656 HydrophobicContact CD1-CG2 3.69Å; Y651-V656 HydrophobicContact CE1-CG2 3.63Å
652	K	65.1	Low	82.2	Confident	40 Å²	40	50.8 Å²	50.8	17%	0.174	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	167.1	176.2	-63.1	-176.8	92.5	-83.1	0	107.7	S654 G655 R657 D1180 D1182	K652-S654 WeakPolarHBondContact CB-OG 3.37Å; K652-S654 PolarHBondContact O-N 3.06Å; K652-G655 WeakPolarHBondContact CB-O 3.28Å; K652-G655 PolarHBondContact N-O 2.98Å; K652-G655 PolarHBondContact O-N 3.48Å; K652-R657 HydrophobicContact CD-CB 4.34Å; K652-D1180 VanDerWaalsContact CE-OD2 3.24Å; K652-D1180 WeakPolarHBondContact CE-OD2 3.39Å; K652-D1180 IonicContact NZ-OD1 3.55Å; K652-D1180 PolarHBondContact NZ-OD1 3.11Å; K652-D1180 IonicContact NZ-OD2 2.96Å; K652-D1180 PolarHBondContact NZ-OD2 2.99Å; K652-D1182 WeakPolarHBondContact CB-OD2 3.4Å; K652-D1182 IonicContact NZ-OD2 3.05Å; K652-D1182 PolarHBondContact NZ-OD2 3.01Å
653	T	55.3	Low	82.5	Confident	121 Å²	121	49.7 Å²	49.7	74%	0.742	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-23.7	175.6	-31	0	0	0	0	111.3	G655 D1182	T653-G655 VanDerWaalsContact C-N 3.29Å; T653-G655 PolarHBondContact O-N 2.82Å; T653-D1182 WeakPolarHBondContact CB-OD1 3.39Å; T653-D1182 PolarHBondContact N-OD2 3.5Å; T653-D1182 VanDerWaalsContact N-OD2 3.17Å; T653-D1182 PolarHBondContact OG1-OD1 3.49Å
654	S	52.4	Low	82.8	Confident	37 Å²	37	48.9 Å²	48.9	26%	0.259	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	9.9	169.6	50.6	0	0	0	0	115.6	K652 D1180	K652-S654 WeakPolarHBondContact CB-OG 3.37Å; K652-S654 PolarHBondContact O-N 3.06Å; S654-D1180 WeakPolarHBondContact CB-OD1 3.37Å; S654-D1180 PolarHBondContact OG-OD1 2.96Å; S654-D1180 PolarHBondContact OG-OD2 3Å
655	G	69.3	Low	83.2	Confident	36 Å²	36	45.8 Å²	45.8	37%	0.371	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	103.6	-159.6	178.3	0	0	0	0	0	114.7	K652 T653	K652-G655 WeakPolarHBondContact CB-O 3.28Å; K652-G655 PolarHBondContact N-O 2.98Å; K652-G655 PolarHBondContact O-N 3.48Å; T653-G655 VanDerWaalsContact C-N 3.29Å; T653-G655 PolarHBondContact O-N 2.82Å
656	V	73.6	Confident	83.6	Confident	75 Å²	75	44.9 Å²	44.9	46%	0.455	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	104	-169.8	-171.8	0	0	0	0	111.5	Q649 Y651 V658	Q649-V656 HydrophobicContact CB-CG1 3.99Å; Q649-V656 HydrophobicContact CG-CG1 4.17Å; Y651-V656 HydrophobicContact CD1-CG2 3.69Å; Y651-V656 HydrophobicContact CE1-CG2 3.63Å; V656-V658 PolarHBondContact O-N 2.92Å
657	R	76.8	Confident	83.9	Confident	81 Å²	81	44.1 Å²	44.1	31%	0.306	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	111.1	174.6	-168.9	173.3	-175.5	-179.2	2.8	111.3	G540 D542 K650 K652 N659	G540-R657 VanDerWaalsContact CA-NH2 3.26Å; D542-R657 IonicContact OD1-NH2 2.74Å; K650-R657 PolarHBondContact N-O 3.11Å; K650-R657 PolarHBondContact O-N 3.16Å; K652-R657 HydrophobicContact CD-CB 4.34Å; R657-N659 PolarHBondContact O-ND2 2.92Å; R657-N659 VanDerWaalsContact O-ND2 3.12Å
658	V	83.4	Confident	84.2	Confident	70 Å²	70	41 Å²	41	42%	0.424	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	131.2	173.4	176.8	0	0	0	0	110.8	W648 V656 V660	W648-V658 HydrophobicContact CE3-CG1 4.26Å; W648-V658 HydrophobicContact CZ3-CG2 4.47Å; W648-V658 CarbonylContact O-C 3.54Å; W648-V658 WeakPolarHBondContact O-CA 3.38Å; V656-V658 PolarHBondContact O-N 2.92Å; V658-V660 HydrophobicContact CG1-CG1 3.72Å
659	N	88	Confident	84.8	Confident	9 Å²	9	39.5 Å²	39.5	5%	0.048	21%	0.206	C	C	.	.			trans	-132.6	79.4	176.2	-75.2	-84.2	0	0	0	108.5	R586 Y636 W648 R657	R586-N659 PolarHBondContact NH1-OD1 3.08Å; Y636-N659 HydrophobicContact CE1-CB 4.11Å; Y636-N659 PolarHBondContact OH-OD1 3.23Å; W648-N659 WeakPolarHBondContact CA-O 3.45Å; W648-N659 PolarHBondContact O-N 2.81Å; R657-N659 PolarHBondContact O-ND2 2.92Å; R657-N659 VanDerWaalsContact O-ND2 3.12Å
660	V	94.4	Very high	85.4	Confident	19 Å²	19	37.4 Å²	37.4	12%	0.115	20%	0.196	C	C	.	.			trans	-58	150.8	-178.1	-56.8	0	0	0	0	112.4	V587 V591 I594 V658 S662	V587-V660 WeakPolarHBondContact O-CG2 3.07Å; V591-V660 HydrophobicContact CB-CG1 4.09Å; I594-V660 HydrophobicContact CD1-CB 3.69Å; I594-V660 HydrophobicContact CD1-CG1 4.32Å; I594-V660 HydrophobicContact CD1-CG2 3.71Å; V658-V660 HydrophobicContact CG1-CG1 3.72Å; V660-S662 PolarHBondContact O-N 2.99Å; V660-S662 PolarHBondContact O-OG 3.44Å
661	P	97.6	Very high	86.3	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.006	19%	0.187	C	C	.	.			trans	-54	128.5	178.1	-23.4	32.5	0	0	0	111.3	I594 L595 P634 Y636 Y646	I594-P661 HydrophobicContact CG2-CB 3.8Å; I594-P661 HydrophobicContact CG2-CG 3.97Å; L595-P661 HydrophobicContact CD2-CG 4.17Å; P634-P661 HydrophobicContact CB-CB 3.87Å; P634-P661 HydrophobicContact CG-CB 4.09Å; Y636-P661 CarbonylContact O-C 3.51Å; Y636-P661 WeakPolarHBondContact O-CA 3.24Å; Y646-P661 HydrophobicContact CD1-CB 4.02Å; Y646-P661 HydrophobicContact CD1-CG 4.12Å; Y646-P661 HydrophobicContact CD2-CB 4.08Å; Y646-P661 HydrophobicContact CD2-CG 3.74Å; Y646-P661 HydrophobicContact CE1-CB 4.02Å; Y646-P661 HydrophobicContact CE2-CB 4.08Å; Y646-P661 HydrophobicContact CE2-CG 4.22Å; Y646-P661 HydrophobicContact CG-CB 4.05Å; Y646-P661 HydrophobicContact CG-CG 3.69Å
662	S	98.3	Very high	87.5	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-145.1	148.7	-169.9	-64.1	0	0	0	0	112.5	R586 V587 T635 Y636 V660 C664	R586-S662 WeakPolarHBondContact CA-OG 3.48Å; R586-S662 WeakPolarHBondContact CD-OG 3.38Å; V587-S662 PolarHBondContact N-OG 2.85Å; T635-S662 PolarHBondContact N-O 3.19Å; Y636-S662 PolarHBondContact N-O 3.35Å; Y636-S662 VanDerWaalsContact N-O 3.14Å; Y636-S662 PolarHBondContact O-N 3.48Å; V660-S662 PolarHBondContact O-N 2.99Å; V660-S662 PolarHBondContact O-OG 3.44Å; S662-C664 VanDerWaalsContact C-N 3.31Å; S662-C664 PolarHBondContact O-N 2.81Å
663	W	98.7	Very high	88.9	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.17	C	C	.	.			trans	-85	76.6	166.7	-65.2	-86.2	0	0	0	109.7	V587 F603 L606 M607 I630 F632 P633 P634 R666	V587-W663 HydrophobicContact CG2-CE3 3.85Å; V587-W663 HydrophobicContact CG2-CZ3 3.85Å; F603-W663 HydrophobicContact CB-CH2 4.3Å; F603-W663 HydrophobicContact CB-CZ2 4.12Å; F603-W663 HydrophobicContact CD1-CH2 4.37Å; F603-W663 AromaticContact CD1-CZ2 3.99Å; F603-W663 HydrophobicContact CD1-CZ2 3.99Å; F603-W663 HydrophobicContact CG-CZ2 4.21Å; L606-W663 HydrophobicContact CB-CH2 3.72Å; L606-W663 HydrophobicContact CB-CZ3 3.75Å; L606-W663 HydrophobicContact CD1-CH2 3.8Å; L606-W663 HydrophobicContact CD1-CZ3 4.31Å; L606-W663 HydrophobicContact CG-CH2 4.42Å; M607-W663 HydrophobicContact SD-CE3 4.22Å; M607-W663 HydrophobicContact SD-CH2 4.4Å; M607-W663 HydrophobicContact SD-CZ3 4.13Å; I630-W663 HydrophobicContact CD1-CB 4.41Å; I630-W663 HydrophobicContact CD1-CG 4.2Å; I630-W663 HydrophobicContact CG2-CD2 4.42Å; I630-W663 HydrophobicContact CG2-CG 4.48Å; I630-W663 HydrophobicContact CG2-CZ2 4.17Å; F632-W663 AromaticContact CD2-NE1 3.96Å; F632-W663 AromaticContact CE2-CD1 3.7Å; F632-W663 PolarHBondContact O-NE1 2.83Å; P633-W663 VanDerWaalsContact C-NE1 3.27Å; P633-W663 PolarHBondContact O-NE1 2.92Å; P634-W663 HydrophobicContact CB-CD2 4.41Å; P634-W663 HydrophobicContact CG-CD2 4.2Å; P634-W663 HydrophobicContact CG-CE3 4.33Å; P634-W663 HydrophobicContact CG-CH2 3.94Å; P634-W663 HydrophobicContact CG-CZ2 3.79Å; P634-W663 HydrophobicContact CG-CZ3 4.21Å; W663-R666 WeakPolarHBondContact O-CD 3.45Å; W663-R666 PolarHBondContact O-NH1 2.67Å
664	C	98.6	Very high	90.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.151	C	C	.	.			trans	-71.6	-41	176	-68.3	0	0	0	0	111.5	D582 L583 N584 Y636 S662	D582-C664 WeakPolarHBondContact OD1-CB 3.02Å; L583-C664 PolarHBondContact N-O 2.93Å; N584-C664 PolarHBondContact N-O 3.39Å; Y636-C664 VanDerWaalsContact CD1-SG 3.5Å; S662-C664 VanDerWaalsContact C-N 3.31Å; S662-C664 PolarHBondContact O-N 2.81Å
665	D	98.9	Very high	92.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	119.3	-174.3	-46.9	-99.7	0	0	0	109.8	T405 G581 T635 H693 V696	T405-D665 HydrophobicContact CG2-CB 4.29Å; G581-D665 WeakPolarHBondContact O-CA 3.15Å; T635-D665 VanDerWaalsContact CB-OD2 3.32Å; T635-D665 WeakPolarHBondContact CB-OD2 3.46Å; T635-D665 HydrophobicContact CG2-CB 4.4Å; T635-D665 PolarHBondContact OG1-N 2.88Å; T635-D665 PolarHBondContact OG1-OD2 3.31Å; D665-H693 VanDerWaalsContact CG-ND1 3.35Å; D665-H693 IonicContact OD1-CE1 3.82Å; D665-H693 IonicContact OD1-CG 3.17Å; D665-H693 IonicContact OD1-ND1 3.86Å; D665-H693 PolarHBondContact OD1-ND1 3.06Å; D665-H693 VanDerWaalsContact OD1-ND1 3.12Å; D665-H693 IonicContact OD2-CE1 2.67Å; D665-H693 IonicContact OD2-CG 3.36Å; D665-H693 IonicContact OD2-ND1 3.12Å; D665-H693 PolarHBondContact OD2-ND1 2.74Å; D665-V696 HydrophobicContact CB-CB 4.4Å; D665-V696 HydrophobicContact CB-CG2 3.68Å
666	R	98.9	Very high	93.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	155.9	-168.2	-52.1	-67.4	-87.9	-92.8	-0.2	112.8	C580 G581 L583 D610 L612 E627 W663 L668	C580-R666 VanDerWaalsContact CA-O 3.22Å; C580-R666 WeakPolarHBondContact CA-O 3.25Å; G581-R666 PolarHBondContact N-O 2.74Å; G581-R666 PolarHBondContact O-N 2.79Å; G581-R666 VanDerWaalsContact O-N 3.07Å; L583-R666 HydrophobicContact CB-CG 4.46Å; L583-R666 HydrophobicContact CD1-CB 3.69Å; L583-R666 HydrophobicContact CD1-CG 4.08Å; L583-R666 HydrophobicContact CG-CB 4.02Å; L583-R666 HydrophobicContact CG-CG 4.27Å; D610-R666 IonicContact OD1-CZ 3.86Å; D610-R666 IonicContact OD1-NH1 2.67Å; D610-R666 PolarHBondContact OD1-NH1 3.02Å; D610-R666 IonicContact OD1-NH2 3.71Å; D610-R666 IonicContact OD2-CZ 3.89Å; D610-R666 IonicContact OD2-NH1 3.69Å; D610-R666 PolarHBondContact OD2-NH1 2.89Å; D610-R666 IonicContact OD2-NH2 3.32Å; D610-R666 PolarHBondContact OD2-NH2 3.36Å; L612-R666 HydrophobicContact CD2-CB 4.38Å; L612-R666 HydrophobicContact CD2-CG 3.99Å; E627-R666 IonicContact OE1-CZ 3.22Å; E627-R666 IonicContact OE1-NE 2.93Å; E627-R666 PolarHBondContact OE1-NE 2.93Å; E627-R666 IonicContact OE1-NH2 2.6Å; E627-R666 PolarHBondContact OE1-NH2 3.21Å; E627-R666 IonicContact OE2-CZ 2.82Å; E627-R666 IonicContact OE2-NE 4Å; E627-R666 IonicContact OE2-NH2 3.74Å; E627-R666 PolarHBondContact OE2-NH2 3.03Å; W663-R666 WeakPolarHBondContact O-CD 3.45Å; W663-R666 PolarHBondContact O-NH1 2.67Å; R666-L668 HydrophobicContact CB-CD1 3.97Å
667	I	98.9	Very high	94.7	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	120.4	173	-54.4	173.2	0	0	0	109.7	V403 T405 C580 Y682 V696 A698 F700	V403-I667 HydrophobicContact CB-CD1 4.34Å; V403-I667 HydrophobicContact CB-CG2 4.11Å; V403-I667 HydrophobicContact CG1-CD1 4.16Å; V403-I667 HydrophobicContact CG1-CG1 4.41Å; V403-I667 HydrophobicContact CG1-CG2 3.79Å; V403-I667 VanDerWaalsContact O-CD1 3.23Å; V403-I667 WeakPolarHBondContact O-CD1 3.42Å; T405-I667 HydrophobicContact CG2-CD1 4.43Å; T405-I667 HydrophobicContact CG2-CG1 3.95Å; C580-I667 HydrophobicContact CB-CB 4.47Å; C580-I667 HydrophobicContact CB-CG1 3.9Å; C580-I667 HydrophobicContact CB-CG2 4.44Å; I667-Y682 HydrophobicContact CB-CE2 3.92Å; I667-Y682 HydrophobicContact CD1-CE2 4.43Å; I667-Y682 HydrophobicContact CG1-CE2 4.25Å; I667-Y682 PolarHBondContact N-OH 3.02Å; I667-V696 HydrophobicContact CD1-CG1 3.94Å; I667-V696 HydrophobicContact CG1-CG1 4.16Å; I667-A698 HydrophobicContact CB-CB 4.19Å; I667-A698 HydrophobicContact CD1-CB 3.64Å; I667-A698 HydrophobicContact CG2-CB 4Å; I667-F700 HydrophobicContact CG2-CE2 4.46Å; I667-F700 HydrophobicContact CG2-CZ 4.36Å
668	L	98.9	Very high	95.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	160.3	179.3	-62	95.6	0	0	0	110.3	W579 L583 L612 F622 F625 K626 E627 R666	W579-L668 PolarHBondContact N-O 3.18Å; W579-L668 PolarHBondContact O-N 3.27Å; L583-L668 HydrophobicContact CD1-CD1 3.59Å; L612-L668 HydrophobicContact CD2-CD1 4.16Å; L612-L668 HydrophobicContact CD2-CD2 4.48Å; F622-L668 HydrophobicContact CB-CD2 4.23Å; F622-L668 HydrophobicContact CD1-CD2 4.22Å; F622-L668 HydrophobicContact CG-CD2 4.24Å; F625-L668 HydrophobicContact CB-CB 4.37Å; F625-L668 HydrophobicContact CB-CD2 4.29Å; F625-L668 HydrophobicContact CD1-CB 4.3Å; K626-L668 CarbonylContact O-C 3.56Å; K626-L668 VanDerWaalsContact O-CA 3.24Å; K626-L668 WeakPolarHBondContact O-CA 3.25Å; K626-L668 WeakPolarHBondContact O-CB 3.39Å; E627-L668 HydrophobicContact CB-CD2 4.18Å; E627-L668 HydrophobicContact CB-CG 4.09Å; E627-L668 HydrophobicContact CG-CG 4.37Å; R666-L668 HydrophobicContact CB-CD1 3.97Å
669	W	98.8	Very high	96.2	Very high	16 Å²	16	20.7 Å²	20.7	6%	0.061	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	149	173.9	70.6	104.5	0	0	0	113.2	L577 F578 F625 K626 E628 I677 C679 F700	L577-W669 CarbonylContact O-C 3.5Å; L577-W669 WeakPolarHBondContact O-CA 3.4Å; F578-W669 HydrophobicContact CD1-CB 3.79Å; F578-W669 HydrophobicContact CE1-CB 4.03Å; F625-W669 CarbonylContact C-O 3.59Å; F625-W669 WeakPolarHBondContact CA-O 3.24Å; K626-W669 HydrophobicContact CB-CD2 3.88Å; K626-W669 HydrophobicContact CB-CE3 4.28Å; K626-W669 HydrophobicContact CB-CG 4.43Å; K626-W669 HydrophobicContact CB-CH2 4.15Å; K626-W669 HydrophobicContact CB-CZ2 3.73Å; K626-W669 HydrophobicContact CB-CZ3 4.42Å; K626-W669 HydrophobicContact CD-CZ2 4.21Å; K626-W669 PolarHBondContact N-O 2.95Å; K626-W669 PolarHBondContact O-N 2.71Å; E628-W669 HydrophobicContact CB-CH2 3.99Å; E628-W669 HydrophobicContact CB-CZ3 4.14Å; W669-I677 HydrophobicContact CG-CD1 4.33Å; W669-C679 HydrophobicContact CH2-CB 4Å; W669-C679 HydrophobicContact CZ2-CB 4.38Å; W669-F700 AromaticContact CD2-CE1 3.73Å; W669-F700 HydrophobicContact CD2-CE1 3.73Å; W669-F700 HydrophobicContact CD2-CZ 4.31Å; W669-F700 AromaticContact CE3-CE1 3.55Å; W669-F700 HydrophobicContact CE3-CE1 3.55Å; W669-F700 AromaticContact CE3-CZ 3.85Å; W669-F700 HydrophobicContact CE3-CZ 3.85Å; W669-F700 HydrophobicContact CG-CE1 4.34Å; W669-F700 HydrophobicContact CH2-CE1 4.13Å; W669-F700 HydrophobicContact CZ2-CE1 4.27Å; W669-F700 AromaticContact CZ3-CE1 3.75Å; W669-F700 HydrophobicContact CZ3-CE1 3.75Å; W669-F700 HydrophobicContact CZ3-CZ 4.19Å
670	K	97.6	Very high	96.5	Very high	25 Å²	25	21.1 Å²	21.1	11%	0.109	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	147.2	165.7	-166.8	-177.8	178.2	-160.8	0	107.7	S571 L577 F625	S571-K670 VanDerWaalsContact CB-NZ 3.33Å; S571-K670 VanDerWaalsContact O-CD 3.29Å; S571-K670 WeakPolarHBondContact O-CD 3.44Å; S571-K670 VanDerWaalsContact O-CE 3.28Å; S571-K670 WeakPolarHBondContact O-CE 3.42Å; S571-K670 PolarHBondContact O-NZ 3.19Å; S571-K670 PolarHBondContact OG-NZ 2.89Å; L577-K670 PolarHBondContact N-O 3.04Å; L577-K670 PolarHBondContact O-N 3.22Å; F625-K670 HydrophobicContact CD1-CB 3.87Å; F625-K670 HydrophobicContact CD2-CB 4.32Å; F625-K670 HydrophobicContact CD2-CD 4.33Å; F625-K670 HydrophobicContact CE1-CB 3.9Å; F625-K670 HydrophobicContact CE2-CB 4.36Å; F625-K670 HydrophobicContact CE2-CD 4.08Å; F625-K670 HydrophobicContact CG-CB 4.09Å; F625-K670 HydrophobicContact CZ-CB 4.16Å; F625-K670 HydrophobicContact CZ-CD 4.42Å
671	S	97.8	Very high	96.6	Very high	31 Å²	31	20.2 Å²	20.2	22%	0.217	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	154.6	178.2	-52.6	0	0	0	0	109.8	T575 H576	T575-S671 CarbonylContact O-C 3.55Å; T575-S671 WeakPolarHBondContact O-CA 3.32Å; T575-S671 VanDerWaalsContact O-CB 3.29Å; T575-S671 WeakPolarHBondContact O-CB 3.38Å; H576-S671 WeakPolarHBondContact ND1-CB 3.35Å; H576-S671 PolarHBondContact ND1-OG 3.1Å
672	Y	96.6	Very high	96.6	Very high	24 Å²	24	20.2 Å²	20.2	9%	0.094	11%	0.11	C	C	.	.			trans	-60.3	149.7	176.6	-69	-7.5	0	0	0	111.3	L572 R573 F574 T575 T675 H794 L796 C812	L572-Y672 PolarHBondContact O-OH 2.9Å; L572-Y672 VanDerWaalsContact O-OH 3.08Å; R573-Y672 VanDerWaalsContact C-OH 3.28Å; R573-Y672 PolarHBondContact O-OH 3.01Å; F574-Y672 PolarHBondContact N-OH 3.38Å; F574-Y672 WeakPolarHBondContact O-CD1 3.38Å; F574-Y672 WeakPolarHBondContact O-CE1 3.39Å; T575-Y672 HydrophobicContact CG2-CD2 4.17Å; T575-Y672 PolarHBondContact O-N 2.97Å; Y672-T675 WeakPolarHBondContact O-CB 3.23Å; Y672-T675 WeakPolarHBondContact O-CG2 3.18Å; Y672-T675 PolarHBondContact O-N 3.49Å; Y672-T675 PolarHBondContact O-OG1 3.37Å; Y672-H794 HydrophobicContact CD2-CB 3.95Å; Y672-H794 AromaticContact CD2-CG 3.58Å; Y672-H794 AromaticContact CD2-ND1 3.55Å; Y672-H794 HydrophobicContact CE2-CB 4.36Å; Y672-L796 HydrophobicContact CE1-CD2 4.27Å; Y672-C812 HydrophobicContact CD1-CB 4.47Å
673	P	94	Very high	96.6	Very high	54 Å²	54	20.2 Å²	20.2	35%	0.351	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	148.4	178.4	21	-31.4	0	0	0	112	T675 H794 A814	P673-T675 PolarHBondContact O-N 3.09Å; P673-H794 PolarHBondContact O-NE2 3.17Å; P673-A814 HydrophobicContact CB-CB 4.25Å; P673-A814 HydrophobicContact CG-CB 4.04Å
674	E	91.6	Very high	96.6	Very high	75 Å²	75	20.2 Å²	20.2	35%	0.35	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	17.6	176.7	-54.4	-175.8	-106.3	0	0	116.4	A814 R816 S817	E674-A814 HydrophobicContact CB-CB 4.01Å; E674-A814 HydrophobicContact CG-CB 4.16Å; E674-A814 WeakPolarHBondContact OE1-CB 3.25Å; E674-R816 HydrophobicContact CB-CB 4.32Å; E674-R816 PolarHBondContact O-NE 3.05Å; E674-R816 WeakPolarHBondContact OE2-CB 3.4Å; E674-S817 WeakPolarHBondContact OE1-CB 3.49Å; E674-S817 PolarHBondContact OE1-N 3.4Å; E674-S817 PolarHBondContact OE1-OG 2.74Å; E674-S817 WeakPolarHBondContact OE2-CB 3.42Å; E674-S817 PolarHBondContact OE2-N 3.18Å; E674-S817 PolarHBondContact OE2-OG 2.85Å
675	T	93.4	Very high	96.6	Very high	33 Å²	33	20.3 Å²	20.3	20%	0.202	11%	0.111	C	C	.	.			trans	-79.6	150.3	164.9	58.6	0	0	0	0	110.8	T575 Y672 P673	T575-T675 HydrophobicContact CG2-CG2 3.7Å; Y672-T675 WeakPolarHBondContact O-CB 3.23Å; Y672-T675 WeakPolarHBondContact O-CG2 3.18Å; Y672-T675 PolarHBondContact O-N 3.49Å; Y672-T675 PolarHBondContact O-OG1 3.37Å; P673-T675 PolarHBondContact O-N 3.09Å
676	H	93.3	Very high	96.5	Very high	46 Å²	46	23.7 Å²	23.7	21%	0.213	13%	0.129	C	C	.	.			trans	-85.3	114.5	173.4	-176.6	89.7	0	0	0	109.7	T678 G703 Y859	H676-T678 PolarHBondContact NE2-OG1 3.02Å; H676-G703 PolarHBondContact O-N 2.99Å; H676-Y859 HydrophobicContact CB-CD1 4.41Å; H676-Y859 HydrophobicContact CB-CD2 4.17Å; H676-Y859 HydrophobicContact CB-CE1 4.1Å; H676-Y859 HydrophobicContact CB-CE2 3.85Å; H676-Y859 HydrophobicContact CB-CG 4.43Å; H676-Y859 AromaticContact CG-CD2 3.93Å; H676-Y859 AromaticContact CG-CG 3.9Å; H676-Y859 AromaticContact ND1-CD2 3.7Å; H676-Y859 AromaticContact ND1-CG 3.83Å
677	I	95.4	Very high	96.3	Very high	26 Å²	26	27.3 Å²	27.3	13%	0.133	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	126.4	168.2	-177.8	159.8	0	0	0	110.3	F578 W669 F700 Q701 V702	F578-I677 HydrophobicContact CE1-CD1 3.92Å; F578-I677 HydrophobicContact CZ-CD1 3.75Å; W669-I677 HydrophobicContact CG-CD1 4.33Å; I677-F700 HydrophobicContact CD1-CD1 4.2Å; I677-F700 HydrophobicContact CG1-CB 4.47Å; I677-F700 HydrophobicContact CG1-CD1 4.23Å; I677-Q701 WeakPolarHBondContact CA-O 3.23Å; I677-V702 HydrophobicContact CD1-CG2 4.09Å; I677-V702 HydrophobicContact CG1-CG2 4.26Å
678	T	93.8	Very high	96.3	Very high	60 Å²	60	27.4 Å²	27.4	37%	0.368	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	125.1	179.5	-52.1	0	0	0	0	108.8	H676 F700 Q701	H676-T678 PolarHBondContact NE2-OG1 3.02Å; T678-F700 CarbonylContact O-C 3.6Å; T678-F700 VanDerWaalsContact O-CA 3.27Å; T678-F700 WeakPolarHBondContact O-CA 3.4Å; T678-Q701 PolarHBondContact N-O 3.47Å; T678-Q701 PolarHBondContact O-N 3.47Å
679	C	96.3	Very high	96.2	Very high	15 Å²	15	31.1 Å²	31.1	10%	0.101	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	135.8	170.3	-166.5	0	0	0	0	109.5	E628 W669 A681 T699 F700	E628-C679 HydrophobicContact CB-CB 4.28Å; E628-C679 HydrophobicContact CG-CB 4.17Å; W669-C679 HydrophobicContact CH2-CB 4Å; W669-C679 HydrophobicContact CZ2-CB 4.38Å; C679-A681 PolarHBondContact SG-O 3.08Å; C679-T699 CarbonylContact C-O 3.51Å; C679-T699 WeakPolarHBondContact CA-O 3.36Å; C679-T699 PolarHBondContact SG-O 2.78Å; C679-T699 VanDerWaalsContact SG-O 3.36Å; C679-F700 HydrophobicContact CB-CD1 3.93Å; C679-F700 HydrophobicContact CB-CE1 3.82Å
680	T	94	Very high	96.1	Very high	17 Å²	17	32.4 Å²	32.4	10%	0.104	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	-8.9	-173.4	44.7	0	0	0	0	114.2	T699 Q701	T680-T699 PolarHBondContact N-O 3.3Å; T680-T699 WeakPolarHBondContact OG1-CB 3.32Å; T680-T699 PolarHBondContact OG1-O 2.89Å; T680-T699 PolarHBondContact OG1-OG1 2.84Å; T680-Q701 HydrophobicContact CG2-CG 4.01Å
681	A	96.6	Very high	96.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	145	166.6	0	0	0	0	0	108.6	C423 H428 C679 F697 A698 T699	C423-A681 HydrophobicContact CB-CB 4.16Å; H428-A681 CarbonylContact O-C 3.57Å; H428-A681 WeakPolarHBondContact O-CA 3.07Å; H428-A681 WeakPolarHBondContact O-CB 3.38Å; C679-A681 PolarHBondContact SG-O 3.08Å; A681-F697 HydrophobicContact CB-CD2 4.48Å; A681-A698 CarbonylContact O-C 3.49Å; A681-A698 WeakPolarHBondContact O-CA 3.48Å; A681-T699 HydrophobicContact CB-CG2 4.5Å; A681-T699 VanDerWaalsContact CB-OG1 3.29Å; A681-T699 WeakPolarHBondContact CB-OG1 3.43Å; A681-T699 PolarHBondContact N-OG1 2.81Å; A681-T699 VanDerWaalsContact N-OG1 3.13Å; A681-T699 PolarHBondContact O-N 3.26Å
682	Y	98.6	Very high	96	Very high	1 Å²	1	30.4 Å²	30.4	0%	0.004	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	117.9	164.2	-171.8	-147.3	0	0	0	108.7	H428 E627 E628 I630 F632 I667 V696 F697 A698	H428-Y682 PolarHBondContact N-O 2.95Å; H428-Y682 PolarHBondContact O-N 2.54Å; E627-Y682 HydrophobicContact CG-CE1 3.8Å; E627-Y682 PolarHBondContact OE1-OH 3.41Å; E628-Y682 HydrophobicContact CB-CD1 3.71Å; E628-Y682 HydrophobicContact CB-CG 4.13Å; E628-Y682 HydrophobicContact CG-CD1 4.49Å; E628-Y682 WeakPolarHBondContact O-CD1 3.33Å; E628-Y682 WeakPolarHBondContact O-CE1 3.47Å; I630-Y682 HydrophobicContact CG1-CD1 4.4Å; I630-Y682 HydrophobicContact CG1-CE1 3.73Å; F632-Y682 AromaticContact CE1-CD1 3.83Å; F632-Y682 HydrophobicContact CE1-CD1 3.83Å; F632-Y682 HydrophobicContact CE1-CD2 4.15Å; F632-Y682 AromaticContact CE1-CE1 3.97Å; F632-Y682 HydrophobicContact CE1-CE1 3.97Å; F632-Y682 HydrophobicContact CE1-CE2 4.25Å; F632-Y682 AromaticContact CE1-CG 3.97Å; F632-Y682 HydrophobicContact CE1-CG 3.97Å; F632-Y682 HydrophobicContact CZ-CD1 4.42Å; F632-Y682 HydrophobicContact CZ-CD2 4.4Å; F632-Y682 HydrophobicContact CZ-CE1 4.13Å; F632-Y682 HydrophobicContact CZ-CE2 4.07Å; F632-Y682 AromaticContact CZ-CZ 3.96Å; I667-Y682 HydrophobicContact CB-CE2 3.92Å; I667-Y682 HydrophobicContact CD1-CE2 4.43Å; I667-Y682 HydrophobicContact CG1-CE2 4.25Å; I667-Y682 PolarHBondContact N-OH 3.02Å; Y682-V696 HydrophobicContact CD2-CG1 4.34Å; Y682-V696 HydrophobicContact CE2-CG1 3.78Å; Y682-F697 WeakPolarHBondContact CA-O 3.37Å; Y682-F697 WeakPolarHBondContact CD2-O 3.22Å; Y682-A698 HydrophobicContact CD2-CB 3.93Å
683	G	98.4	Very high	96.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.8	-178.1	-168.3	0	0	0	0	0	113.7	L426 V696 F697	L426-G683 CarbonylContact O-C 3.53Å; L426-G683 WeakPolarHBondContact O-CA 3.38Å; G683-V696 WeakPolarHBondContact O-CA 3.08Å; G683-V696 WeakPolarHBondContact O-CG1 3.27Å; G683-F697 VanDerWaalsContact C-CZ 3.49Å; G683-F697 VanDerWaalsContact CA-CE2 3.46Å; G683-F697 PolarHBondContact N-O 3.39Å; G683-F697 PolarHBondContact O-N 3.31Å
684	C	98.7	Very high	96.3	Very high	1 Å²	1	27 Å²	27	1%	0.007	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	153.1	175.5	70.4	0	0	0	0	111.4	L426 F632 T635 P695 V696 F697	L426-C684 PolarHBondContact N-O 3.02Å; L426-C684 PolarHBondContact O-N 3.46Å; F632-C684 HydrophobicContact CD2-CB 4.02Å; F632-C684 HydrophobicContact CE2-CB 4.47Å; T635-C684 HydrophobicContact CG2-CB 4.24Å; C684-P695 CarbonylContact C-O 3.55Å; C684-P695 WeakPolarHBondContact CA-O 3.49Å; C684-P695 VanDerWaalsContact CB-O 3.31Å; C684-P695 WeakPolarHBondContact CB-O 3.41Å; C684-V696 HydrophobicContact CB-CG2 4.1Å; C684-F697 VanDerWaalsContact C-CE1 3.5Å
685	T	98.3	Very high	96.7	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.006	13%	0.127	C	C	.	.			trans	-81.2	148.4	176.5	79.8	0	0	0	0	111.9	W420 D687 I688 S694 P695 F697	W420-T685 HydrophobicContact CB-CG2 3.88Å; W420-T685 HydrophobicContact CG-CG2 4.47Å; T685-D687 WeakPolarHBondContact CB-OD1 3.39Å; T685-I688 HydrophobicContact CG2-CD1 4.41Å; T685-S694 WeakPolarHBondContact O-CB 3.41Å; T685-S694 PolarHBondContact O-OG 2.88Å; T685-P695 HydrophobicContact CG2-CB 4.35Å; T685-P695 PolarHBondContact N-O 3.12Å; T685-P695 WeakPolarHBondContact OG1-CD 3.36Å; T685-F697 HydrophobicContact CG2-CD1 4.08Å; T685-F697 HydrophobicContact CG2-CE1 3.97Å
686	D	96.3	Very high	96.9	Very high	72 Å²	72	21.9 Å²	21.9	39%	0.385	12%	0.117	S	C	.	.	S	Bend	trans	-119.2	14.6	-178.9	54.5	-5.8	0	0	0	112.7	G425 L426 F689	G425-D686 WeakPolarHBondContact CA-OD1 3.37Å; L426-D686 HydrophobicContact CD1-CB 4.11Å; L426-D686 WeakPolarHBondContact CD2-OD2 3.43Å; L426-D686 HydrophobicContact CG-CB 4.02Å; L426-D686 WeakPolarHBondContact CG-OD2 3.42Å; D686-F689 WeakPolarHBondContact O-CE1 3.07Å
687	D	96.2	Very high	97.2	Very high	75 Å²	75	19.7 Å²	19.7	40%	0.401	11%	0.107	S	C	.	.	S	Bend	trans	-121.4	-7.6	177.3	70.9	-26.9	0	0	0	114.4	S419 T685	S419-D687 VanDerWaalsContact CB-OD1 3.27Å; S419-D687 WeakPolarHBondContact CB-OD1 3.11Å; S419-D687 WeakPolarHBondContact CB-OD2 3.25Å; S419-D687 PolarHBondContact OG-OD1 3.47Å; S419-D687 PolarHBondContact OG-OD2 3.4Å; T685-D687 WeakPolarHBondContact CB-OD1 3.39Å
688	I	97.2	Very high	97.4	Very high	3 Å²	3	18.5 Å²	18.5	2%	0.015	10%	0.101	C	C	.	.			trans	-102.6	106.4	-179.6	-68.1	169.4	0	0	0	109.7	W406 P414 L417 W420 R643 T685 P695	W406-I688 HydrophobicContact CH2-CG2 3.72Å; W406-I688 HydrophobicContact CZ2-CG2 3.52Å; W406-I688 HydrophobicContact CZ3-CG2 4.5Å; P414-I688 HydrophobicContact CG-CG1 4.07Å; P414-I688 HydrophobicContact CG-CG2 4.01Å; L417-I688 HydrophobicContact CD2-CD1 3.98Å; W420-I688 HydrophobicContact CB-CD1 4.12Å; R643-I688 PolarHBondContact NH1-O 3.05Å; T685-I688 HydrophobicContact CG2-CD1 4.41Å; I688-P695 HydrophobicContact CB-CG 3.9Å; I688-P695 HydrophobicContact CD1-CG 3.9Å; I688-P695 HydrophobicContact CG1-CG 4.49Å; I688-P695 HydrophobicContact CG2-CG 3.69Å
689	F	96.6	Very high	97.6	Very high	79 Å²	79	16 Å²	16	35%	0.346	9%	0.085	S	C	.	.			trans	-110.1	0.3	-167.2	-47.4	-47.1	0	0	0	116.2	G641 R643 D686 S691	G641-F689 PolarHBondContact N-O 3.49Å; R643-F689 HydrophobicContact CG-CD1 3.73Å; R643-F689 HydrophobicContact CG-CE1 3.62Å; D686-F689 WeakPolarHBondContact O-CE1 3.07Å; F689-S691 VanDerWaalsContact C-N 3.3Å; F689-S691 PolarHBondContact O-N 2.9Å
690	T	96.6	Very high	97.7	Very high	43 Å²	43	15.3 Å²	15.3	26%	0.264	8%	0.081	S	C	.	.	S	Bend	trans	-72.9	-20.5	-170.7	60.1	0	0	0	0	114.2	S411 P412 P414 R640	S411-T690 WeakPolarHBondContact CB-O 3.38Å; P412-T690 WeakPolarHBondContact O-CB 3.48Å; P412-T690 PolarHBondContact O-OG1 2.86Å; P414-T690 HydrophobicContact CB-CG2 4.44Å; R640-T690 WeakPolarHBondContact CD-O 3.45Å
691	S	97.7	Very high	97.7	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.081	C	C	.	.	S	Bend	trans	-111.5	155.5	176.6	178.3	0	0	0	0	111.4	N407 R643 F689 H693	N407-S691 VanDerWaalsContact O-CB 3.32Å; N407-S691 WeakPolarHBondContact O-CB 3.28Å; N407-S691 PolarHBondContact O-OG 2.95Å; R643-S691 PolarHBondContact NH1-O 3.01Å; R643-S691 PolarHBondContact NH2-O 3Å; F689-S691 VanDerWaalsContact C-N 3.3Å; F689-S691 PolarHBondContact O-N 2.9Å; S691-H693 WeakPolarHBondContact CB-O 3.33Å; S691-H693 PolarHBondContact O-N 3.17Å; S691-H693 PolarHBondContact OG-N 2.88Å; S691-H693 VanDerWaalsContact OG-N 3.07Å
692	D	96.8	Very high	97.7	Very high	13 Å²	13	15.7 Å²	15.7	7%	0.07	8%	0.081	C	C	.	.	S	Bend	trans	-75.4	4.5	166.8	48	-36.5	0	0	0	113.4	R637 Y638 R640	R637-D692 CarbonylContact C-O 3.4Å; R637-D692 WeakPolarHBondContact CA-O 3.36Å; R637-D692 HydrophobicContact CG-CB 3.98Å; R637-D692 IonicContact CZ-OD2 2.89Å; R637-D692 IonicContact NE-OD2 3.56Å; R637-D692 PolarHBondContact NE-OD2 3.38Å; R637-D692 IonicContact NH2-OD2 3.67Å; R637-D692 PolarHBondContact NH2-OD2 2.97Å; Y638-D692 PolarHBondContact N-O 2.52Å; Y638-D692 WeakPolarHBondContact O-CB 3.48Å; R640-D692 HydrophobicContact CG-CB 4.29Å; R640-D692 IonicContact CZ-OD1 2.74Å; R640-D692 VanDerWaalsContact CZ-OD1 3.3Å; R640-D692 IonicContact NE-OD1 3.97Å; R640-D692 PolarHBondContact NE-OD1 3.31Å; R640-D692 VanDerWaalsContact NE-OD1 3.12Å; R640-D692 IonicContact NH2-OD1 3.63Å; R640-D692 PolarHBondContact NH2-OD1 2.9Å
693	H	98.5	Very high	97.5	Very high	7 Å²	7	16 Å²	16	3%	0.032	9%	0.085	C	C	.	.	B	Isolated β-bridge	trans	-111.5	148.9	160.8	-62.9	-123.6	0	0	0	111.5	W406 N407 D582 T635 Y636 R643 D665 S691	W406-H693 PolarHBondContact NE1-O 3.32Å; N407-H693 HydrophobicContact CB-CB 4.17Å; N407-H693 PolarHBondContact ND2-NE2 2.67Å; D582-H693 IonicContact OD2-CE1 3.77Å; D582-H693 PolarHBondContact OD2-CE1 2.57Å; D582-H693 VanDerWaalsContact OD2-CE1 3.32Å; D582-H693 IonicContact OD2-NE2 2.95Å; T635-H693 CarbonylContact O-C 3.58Å; T635-H693 VanDerWaalsContact O-CA 3.29Å; T635-H693 WeakPolarHBondContact O-CA 3.37Å; Y636-H693 AromaticContact CD2-CD2 3.58Å; Y636-H693 AromaticContact CD2-CE1 3.47Å; Y636-H693 VanDerWaalsContact CD2-CE1 3.47Å; Y636-H693 WeakPolarHBondContact CD2-CE1 3.5Å; Y636-H693 AromaticContact CD2-CG 4Å; Y636-H693 AromaticContact CD2-ND1 3.93Å; Y636-H693 AromaticContact CD2-NE2 3.19Å; Y636-H693 WeakPolarHBondContact CD2-NE2 3.44Å; Y636-H693 AromaticContact CE2-NE2 3.48Å; Y636-H693 WeakPolarHBondContact CE2-NE2 3.45Å; R643-H693 PolarHBondContact NH1-O 3.4Å; D665-H693 VanDerWaalsContact CG-ND1 3.35Å; D665-H693 IonicContact OD1-CE1 3.82Å; D665-H693 IonicContact OD1-CG 3.17Å; D665-H693 IonicContact OD1-ND1 3.86Å; D665-H693 PolarHBondContact OD1-ND1 3.06Å; D665-H693 VanDerWaalsContact OD1-ND1 3.12Å; D665-H693 IonicContact OD2-CE1 2.67Å; D665-H693 IonicContact OD2-CG 3.36Å; D665-H693 IonicContact OD2-ND1 3.12Å; D665-H693 PolarHBondContact OD2-ND1 2.74Å; S691-H693 WeakPolarHBondContact CB-O 3.33Å; S691-H693 PolarHBondContact O-N 3.17Å; S691-H693 PolarHBondContact OG-N 2.88Å; S691-H693 VanDerWaalsContact OG-N 3.07Å
694	S	98.6	Very high	97.2	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.007	9%	0.085	C	C	.	.			trans	-88.9	139.7	164.3	-89.5	0	0	0	0	111.9	T635 R643 T685	T635-S694 PolarHBondContact O-N 2.95Å; R643-S694 VanDerWaalsContact CD-OG 3.26Å; R643-S694 WeakPolarHBondContact CD-OG 3.31Å; R643-S694 PolarHBondContact NH1-OG 3.25Å; T685-S694 WeakPolarHBondContact O-CB 3.41Å; T685-S694 PolarHBondContact O-OG 2.88Å
695	P	98.8	Very high	96.8	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.089	C	C	.	.			trans	-57.2	137	170.1	-18	26.2	0	0	0	112.4	W406 W420 C684 T685 I688	W406-P695 HydrophobicContact CB-CB 4.01Å; W406-P695 HydrophobicContact CB-CG 4.42Å; W406-P695 HydrophobicContact CD2-CB 4.26Å; W406-P695 HydrophobicContact CD2-CG 3.71Å; W406-P695 HydrophobicContact CE3-CG 4.3Å; W406-P695 HydrophobicContact CG-CB 3.86Å; W406-P695 HydrophobicContact CG-CG 3.74Å; W406-P695 HydrophobicContact CZ2-CG 4.42Å; W420-P695 HydrophobicContact CB-CB 4.37Å; W420-P695 VanDerWaalsContact CD1-CB 3.49Å; W420-P695 HydrophobicContact CD2-CB 3.99Å; W420-P695 HydrophobicContact CG-CB 3.73Å; C684-P695 CarbonylContact C-O 3.55Å; C684-P695 WeakPolarHBondContact CA-O 3.49Å; C684-P695 VanDerWaalsContact CB-O 3.31Å; C684-P695 WeakPolarHBondContact CB-O 3.41Å; T685-P695 HydrophobicContact CG2-CB 4.35Å; T685-P695 PolarHBondContact N-O 3.12Å; T685-P695 WeakPolarHBondContact OG1-CD 3.36Å; I688-P695 HydrophobicContact CB-CG 3.9Å; I688-P695 HydrophobicContact CD1-CG 3.9Å; I688-P695 HydrophobicContact CG1-CG 4.49Å; I688-P695 HydrophobicContact CG2-CG 3.69Å
696	V	98.9	Very high	95.8	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	139.9	175.8	173.6	0	0	0	0	110	G404 T405 W420 F632 T635 D665 I667 Y682 G683 C684	G404-V696 WeakPolarHBondContact CA-O 3.35Å; T405-V696 HydrophobicContact CG2-CB 3.9Å; T405-V696 HydrophobicContact CG2-CG1 4.29Å; T405-V696 PolarHBondContact N-O 2.89Å; T405-V696 PolarHBondContact O-N 2.82Å; W420-V696 PolarHBondContact NE1-O 2.81Å; F632-V696 HydrophobicContact CE2-CG2 4.37Å; F632-V696 HydrophobicContact CZ-CG1 4.46Å; T635-V696 HydrophobicContact CG2-CG2 3.49Å; T635-V696 VanDerWaalsContact CG2-CG2 3.49Å; D665-V696 HydrophobicContact CB-CB 4.4Å; D665-V696 HydrophobicContact CB-CG2 3.68Å; I667-V696 HydrophobicContact CD1-CG1 3.94Å; I667-V696 HydrophobicContact CG1-CG1 4.16Å; Y682-V696 HydrophobicContact CD2-CG1 4.34Å; Y682-V696 HydrophobicContact CE2-CG1 3.78Å; G683-V696 WeakPolarHBondContact O-CA 3.08Å; G683-V696 WeakPolarHBondContact O-CG1 3.27Å; C684-V696 HydrophobicContact CB-CG2 4.1Å
697	F	98.8	Very high	94.5	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	148.3	177.9	52.7	-102	0	0	0	111	F402 V403 C423 C424 T429 A681 Y682 G683 C684 T685	F402-F697 HydrophobicContact CE2-CB 3.75Å; F402-F697 HydrophobicContact CZ-CB 3.96Å; V403-F697 CarbonylContact O-C 3.44Å; C423-F697 VanDerWaalsContact C-CZ 3.46Å; C423-F697 HydrophobicContact CB-CD2 3.45Å; C423-F697 VanDerWaalsContact CB-CD2 3.45Å; C423-F697 HydrophobicContact CB-CE2 3.58Å; C423-F697 HydrophobicContact CB-CG 4.02Å; C423-F697 HydrophobicContact CB-CZ 4.21Å; C423-F697 WeakPolarHBondContact O-CE2 3.39Å; C423-F697 VanDerWaalsContact O-CZ 3.23Å; C423-F697 WeakPolarHBondContact O-CZ 3.22Å; C423-F697 VanDerWaalsContact SG-CD2 3.57Å; C424-F697 WeakPolarHBondContact O-CE1 3.25Å; T429-F697 HydrophobicContact CG2-CE2 3.91Å; T429-F697 HydrophobicContact CG2-CZ 3.63Å; A681-F697 HydrophobicContact CB-CD2 4.48Å; Y682-F697 WeakPolarHBondContact CA-O 3.37Å; Y682-F697 WeakPolarHBondContact CD2-O 3.22Å; G683-F697 VanDerWaalsContact C-CZ 3.49Å; G683-F697 VanDerWaalsContact CA-CE2 3.46Å; G683-F697 PolarHBondContact N-O 3.39Å; G683-F697 PolarHBondContact O-N 3.31Å; C684-F697 VanDerWaalsContact C-CE1 3.5Å; T685-F697 HydrophobicContact CG2-CD1 4.08Å; T685-F697 HydrophobicContact CG2-CE1 3.97Å
698	A	98.8	Very high	93.1	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.008	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	146.8	164.6	0	0	0	0	0	110.1	V403 I667 A681 Y682 F700	V403-A698 PolarHBondContact N-O 2.77Å; V403-A698 PolarHBondContact O-N 2.95Å; I667-A698 HydrophobicContact CB-CB 4.19Å; I667-A698 HydrophobicContact CD1-CB 3.64Å; I667-A698 HydrophobicContact CG2-CB 4Å; A681-A698 CarbonylContact O-C 3.49Å; A681-A698 WeakPolarHBondContact O-CA 3.48Å; Y682-A698 HydrophobicContact CD2-CB 3.93Å; A698-F700 HydrophobicContact CB-CE2 3.7Å; A698-F700 HydrophobicContact CB-CZ 3.79Å
699	T	98.4	Very high	91.2	Very high	6 Å²	6	21.1 Å²	21.1	4%	0.037	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	151.6	171.4	58.9	0	0	0	0	111.2	V401 F402 C423 H439 C679 T680 A681	V401-T699 CarbonylContact O-C 3.58Å; V401-T699 WeakPolarHBondContact O-CA 3.49Å; F402-T699 HydrophobicContact CB-CG2 4.42Å; F402-T699 HydrophobicContact CD2-CG2 3.92Å; C423-T699 WeakPolarHBondContact SG-CG2 3.12Å; H439-T699 VanDerWaalsContact CE1-CG2 3.47Å; H439-T699 WeakPolarHBondContact CE1-CG2 3.45Å; H439-T699 WeakPolarHBondContact NE2-CG2 3.42Å; C679-T699 CarbonylContact C-O 3.51Å; C679-T699 WeakPolarHBondContact CA-O 3.36Å; C679-T699 PolarHBondContact SG-O 2.78Å; C679-T699 VanDerWaalsContact SG-O 3.36Å; T680-T699 PolarHBondContact N-O 3.3Å; T680-T699 WeakPolarHBondContact OG1-CB 3.32Å; T680-T699 PolarHBondContact OG1-O 2.89Å; T680-T699 PolarHBondContact OG1-OG1 2.84Å; A681-T699 HydrophobicContact CB-CG2 4.5Å; A681-T699 VanDerWaalsContact CB-OG1 3.29Å; A681-T699 WeakPolarHBondContact CB-OG1 3.43Å; A681-T699 PolarHBondContact N-OG1 2.81Å; A681-T699 VanDerWaalsContact N-OG1 3.13Å; A681-T699 PolarHBondContact O-N 3.26Å
700	F	98	Very high	89.2	Confident	1 Å²	1	28.2 Å²	28.2	0%	0.004	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	140.2	-177.2	-55.2	-87.7	0	0	0	110.8	S400 V401 V403 F578 I667 W669 I677 T678 C679 A698 V702	S400-F700 CarbonylContact C-O 3.55Å; S400-F700 WeakPolarHBondContact CA-O 3.32Å; V401-F700 HydrophobicContact CB-CB 4.5Å; V401-F700 PolarHBondContact N-O 2.79Å; V401-F700 PolarHBondContact O-N 3.19Å; V403-F700 HydrophobicContact CB-CE2 4.33Å; V403-F700 HydrophobicContact CG2-CD2 4.27Å; V403-F700 HydrophobicContact CG2-CE2 3.97Å; F578-F700 HydrophobicContact CD1-CD2 4.07Å; F578-F700 AromaticContact CD1-CE2 3.81Å; F578-F700 HydrophobicContact CD1-CE2 3.81Å; F578-F700 HydrophobicContact CD1-CZ 4.18Å; F578-F700 HydrophobicContact CE1-CB 4.37Å; F578-F700 HydrophobicContact CE1-CD1 4.03Å; F578-F700 AromaticContact CE1-CD2 3.43Å; F578-F700 HydrophobicContact CE1-CD2 3.43Å; F578-F700 VanDerWaalsContact CE1-CD2 3.43Å; F578-F700 HydrophobicContact CE1-CE1 4.18Å; F578-F700 AromaticContact CE1-CE2 3.6Å; F578-F700 HydrophobicContact CE1-CE2 3.6Å; F578-F700 AromaticContact CE1-CG 3.66Å; F578-F700 HydrophobicContact CE1-CG 3.66Å; F578-F700 AromaticContact CE1-CZ 3.98Å; F578-F700 HydrophobicContact CE1-CZ 3.98Å; F578-F700 HydrophobicContact CZ-CB 4.47Å; F578-F700 HydrophobicContact CZ-CD2 4.17Å; F578-F700 HydrophobicContact CZ-CG 4.24Å; I667-F700 HydrophobicContact CG2-CE2 4.46Å; I667-F700 HydrophobicContact CG2-CZ 4.36Å; W669-F700 AromaticContact CD2-CE1 3.73Å; W669-F700 HydrophobicContact CD2-CE1 3.73Å; W669-F700 HydrophobicContact CD2-CZ 4.31Å; W669-F700 AromaticContact CE3-CE1 3.55Å; W669-F700 HydrophobicContact CE3-CE1 3.55Å; W669-F700 AromaticContact CE3-CZ 3.85Å; W669-F700 HydrophobicContact CE3-CZ 3.85Å; W669-F700 HydrophobicContact CG-CE1 4.34Å; W669-F700 HydrophobicContact CH2-CE1 4.13Å; W669-F700 HydrophobicContact CZ2-CE1 4.27Å; W669-F700 AromaticContact CZ3-CE1 3.75Å; W669-F700 HydrophobicContact CZ3-CE1 3.75Å; W669-F700 HydrophobicContact CZ3-CZ 4.19Å; I677-F700 HydrophobicContact CD1-CD1 4.2Å; I677-F700 HydrophobicContact CG1-CB 4.47Å; I677-F700 HydrophobicContact CG1-CD1 4.23Å; T678-F700 CarbonylContact O-C 3.6Å; T678-F700 VanDerWaalsContact O-CA 3.27Å; T678-F700 WeakPolarHBondContact O-CA 3.4Å; C679-F700 HydrophobicContact CB-CD1 3.93Å; C679-F700 HydrophobicContact CB-CE1 3.82Å; A698-F700 HydrophobicContact CB-CE2 3.7Å; A698-F700 HydrophobicContact CB-CZ 3.79Å; F700-V702 HydrophobicContact CB-CG2 3.81Å
701	Q	95.3	Very high	86.9	Confident	25 Å²	25	29.7 Å²	29.7	12%	0.117	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	121.3	158.1	-74.5	-178.7	-21.1	0	0	107.9	L384 M398 I677 T678 T680	L384-Q701 VanDerWaalsContact CD1-OE1 3.32Å; M398-Q701 HydrophobicContact CE-CB 4.46Å; M398-Q701 HydrophobicContact CE-CG 4.24Å; M398-Q701 HydrophobicContact CG-CB 4.49Å; M398-Q701 HydrophobicContact SD-CB 3.97Å; M398-Q701 HydrophobicContact SD-CG 4.38Å; I677-Q701 WeakPolarHBondContact CA-O 3.23Å; T678-Q701 PolarHBondContact N-O 3.47Å; T678-Q701 PolarHBondContact O-N 3.47Å; T680-Q701 HydrophobicContact CG2-CG 4.01Å
702	V	96.5	Very high	84.7	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	123	-171.5	-173.6	0	0	0	0	109	M398 V399 V401 F530 H576 F578 I677 F700	M398-V702 CarbonylContact C-O 3.55Å; M398-V702 VanDerWaalsContact CA-O 3.25Å; M398-V702 WeakPolarHBondContact CA-O 3.47Å; M398-V702 WeakPolarHBondContact CG-O 3.49Å; V399-V702 HydrophobicContact CG2-CB 4.27Å; V399-V702 PolarHBondContact N-O 2.99Å; V399-V702 PolarHBondContact O-N 2.84Å; V401-V702 HydrophobicContact CB-CG2 4.35Å; V401-V702 HydrophobicContact CG2-CB 4.37Å; V401-V702 HydrophobicContact CG2-CG2 3.78Å; F530-V702 HydrophobicContact CE1-CB 4.49Å; F530-V702 HydrophobicContact CE1-CG1 3.94Å; F530-V702 HydrophobicContact CZ-CB 4.42Å; F530-V702 HydrophobicContact CZ-CG1 3.8Å; H576-V702 WeakPolarHBondContact CD2-CG1 3.47Å; H576-V702 WeakPolarHBondContact NE2-CG1 3.24Å; F578-V702 HydrophobicContact CZ-CG2 4.17Å; I677-V702 HydrophobicContact CD1-CG2 4.09Å; I677-V702 HydrophobicContact CG1-CG2 4.26Å; F700-V702 HydrophobicContact CB-CG2 3.81Å
703	G	93.7	Very high	82.3	Confident	8 Å²	8	36.6 Å²	36.6	8%	0.082	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	131.8	175.1	0	0	0	0	0	111	D397 H676	D397-G703 CarbonylContact O-C 3.52Å; D397-G703 WeakPolarHBondContact O-CA 3.46Å; H676-G703 PolarHBondContact O-N 2.99Å
704	V	93.1	Very high	79.9	Confident	2 Å²	2	39.4 Å²	39.4	1%	0.012	23%	0.232	C	C	.	.			trans	-115.8	154.9	-178.8	-70.4	0	0	0	0	111.4	P396 D397 V399 F525 T528 F530	P396-V704 VanDerWaalsContact O-CG2 3.27Å; P396-V704 WeakPolarHBondContact O-CG2 3.49Å; D397-V704 PolarHBondContact O-N 3.31Å; V399-V704 HydrophobicContact CG1-CG1 4.42Å; V399-V704 HydrophobicContact CG1-CG2 4.25Å; V399-V704 HydrophobicContact CG2-CG1 3.86Å; F525-V704 HydrophobicContact CD1-CB 4.4Å; F525-V704 HydrophobicContact CD1-CG1 4.12Å; F525-V704 HydrophobicContact CE1-CG2 4.36Å; T528-V704 HydrophobicContact CG2-CG1 4.17Å; T528-V704 WeakPolarHBondContact OG1-CA 3.24Å; T528-V704 WeakPolarHBondContact OG1-CB 3.46Å; F530-V704 HydrophobicContact CE2-CG1 4.03Å; F530-V704 HydrophobicContact CZ-CG1 4.06Å
705	M	89.1	Confident	77.7	Confident	17 Å²	17	45.8 Å²	45.8	8%	0.084	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-90.1	134.1	172.7	-70.5	175.6	-85.5	0	0	110.7	N526 G527 T528 T575 D792 Q793	N526-M705 WeakPolarHBondContact CB-O 3.45Å; G527-M705 PolarHBondContact N-O 3.19Å; G527-M705 WeakPolarHBondContact O-CE 3.36Å; T528-M705 HydrophobicContact CG2-CE 4.48Å; T528-M705 PolarHBondContact OG1-N 3.44Å; T575-M705 HydrophobicContact CG2-CE 4.4Å; M705-D792 HydrophobicContact CG-CB 3.62Å; M705-D792 HydrophobicContact SD-CB 3.67Å; M705-Q793 PolarHBondContact SD-NE2 3.37Å
706	S	78.1	Confident	75.6	Confident	35 Å²	35	51 Å²	51	25%	0.245	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-64.1	156	168.4	-49.6	0	0	0	0	111.2	R855	S706-R855 PolarHBondContact OG-NH2 3.37Å
707	P	69.7	Low	74.1	Confident	72 Å²	72	53.6 Å²	53.6	47%	0.468	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-62.1	138.9	174.3	-19.4	32.9	0	0	0	111.7	N526	N526-P707 HydrophobicContact CB-CG 3.98Å
708	C	65.2	Low	73.4	Confident	47 Å²	47	58.9 Å²	58.9	32%	0.318	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-82.1	117.2	175.7	-173.6	0	0	0	0	110.8	R710 A784 Y789	C708-R710 PolarHBondContact O-N 2.9Å; C708-A784 WeakPolarHBondContact SG-CB 3.48Å; C708-Y789 HydrophobicContact CB-CD2 4.05Å; C708-Y789 HydrophobicContact CB-CE2 3.81Å
709	S	59.1	Low	72.9	Confident	86 Å²	86	63.3 Å²	63.3	60%	0.601	37%	0.369	S	S	*	.			trans	-70.4	108.1	172.6	52.9	0	0	0	0	110.8	S711	S709-S711 VanDerWaalsContact C-N 3.28Å; S709-S711 PolarHBondContact O-N 2.85Å
710	R	52.8	Low	72.6	Confident	229 Å²	229	63 Å²	63	86%	0.864	37%	0.368	S	S	*	.			trans	-73.9	76.2	176.6	-65.8	-178.1	70.7	167.5	3.6	111.1	C708	C708-R710 PolarHBondContact O-N 2.9Å
711	S	49.4	Very low	72.4	Confident	74 Å²	74	65.5 Å²	65.5	52%	0.517	38%	0.377	S	S	.	.			trans	-119.3	3.4	-176.9	57.7	0	0	0	0	115.6	S709 S713	S709-S711 VanDerWaalsContact C-N 3.28Å; S709-S711 PolarHBondContact O-N 2.85Å; S711-S713 PolarHBondContact O-N 3.3Å
712	D	50.2	Low	72.4	Confident	41 Å²	41	64.3 Å²	64.3	22%	0.219	37%	0.372	C	S	.	.			trans	-81	49.6	176.7	-74.2	-1.8	0	0	0	111.9	R851	D712-R851 IonicContact OD1-CZ 3.53Å; D712-R851 IonicContact OD1-NH1 3.78Å; D712-R851 IonicContact OD1-NH2 3.11Å; D712-R851 PolarHBondContact OD1-NH2 2.83Å; D712-R851 IonicContact OD2-NH1 3.52Å; D712-R851 IonicContact OD2-NH2 2.77Å
713	S	47.2	Very low	72.3	Confident	117 Å²	117	66.7 Å²	66.7	82%	0.818	38%	0.383	S	S	*	.			trans	-92.4	7	177.4	58.1	0	0	0	0	114.2	S711	S711-S713 PolarHBondContact O-N 3.3Å
714	S	48.5	Very low	72.3	Confident	66 Å²	66	66.5 Å²	66.5	46%	0.462	38%	0.38	S	S	.	.			trans	-91.8	123.1	175.8	55.7	0	0	0	0	111.2	S716	S714-S716 PolarHBondContact O-N 3.16Å
715	S	52.7	Low	72.3	Confident	134 Å²	134	68.2 Å²	68.2	94%	0.937	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	13.8	-167.9	52.4	0	0	0	0	116
716	S	54.7	Low	72.6	Confident	109 Å²	109	72 Å²	72	76%	0.762	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.6	0.1	-170.9	57.3	0	0	0	0	115.2	S714	S714-S716 PolarHBondContact O-N 3.16Å
717	V	67.8	Low	73.4	Confident	56 Å²	56	70.4 Å²	70.4	34%	0.339	39%	0.394	S	S	.	.	S	Bend	trans	-92.3	135.8	-178	-174.8	0	0	0	0	110.7	R719	V717-R719 PolarHBondContact O-N 3.44Å
718	E	82.3	Confident	74.7	Confident	110 Å²	110	68.2 Å²	68.2	51%	0.514	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-58.6	123.3	170.1	-173.9	-177	-171.4	0	0	109.2	H846 P848	E718-H846 IonicContact OE1-CD2 2.69Å; E718-H846 IonicContact OE1-CE1 2.86Å; E718-H846 IonicContact OE1-NE2 3.27Å; E718-H846 PolarHBondContact OE1-NE2 3.19Å; E718-P848 HydrophobicContact CB-CB 4.44Å; E718-P848 HydrophobicContact CB-CG 4.23Å; E718-P848 HydrophobicContact CG-CG 4.27Å; E718-P848 WeakPolarHBondContact O-CG 3.36Å
719	R	88.6	Confident	76	Confident	94 Å²	94	66 Å²	66	36%	0.355	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-89	148.2	176.9	-73.9	-179.8	75.3	164.4	-2	111.6	V717 E749 P782	V717-R719 PolarHBondContact O-N 3.44Å; R719-E749 IonicContact CZ-OE1 3.77Å; R719-E749 IonicContact NH1-OE1 2.78Å; R719-E749 IonicContact NH2-OE1 3.45Å; R719-E749 PolarHBondContact NH2-OE1 2.91Å; R719-P782 PolarHBondContact NH2-O 3.45Å
720	A	92.1	Very high	77.6	Confident	1 Å²	1	62 Å²	62	1%	0.008	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-61	158.4	166.2	0	0	0	0	0	111.5	P782 S785 L790 H846	A720-P782 WeakPolarHBondContact O-CD 3.22Å; A720-S785 PolarHBondContact N-OG 3.1Å; A720-S785 VanDerWaalsContact N-OG 3.12Å; A720-L790 HydrophobicContact CB-CD1 3.67Å; A720-H846 VanDerWaalsContact CA-O 3.31Å; A720-H846 WeakPolarHBondContact CA-O 3.44Å; A720-H846 WeakPolarHBondContact CB-O 3.45Å
721	W	93.9	Very high	79.4	Confident	53 Å²	53	51 Å²	51	20%	0.201	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	155.2	175.5	51.3	-101.2	0	0	0	112.8	E723 K779 L780 I781 R844 H846	W721-E723 HydrophobicContact CE3-CB 3.83Å; W721-E723 HydrophobicContact CZ3-CB 3.57Å; W721-E723 HydrophobicContact CZ3-CG 4.47Å; W721-E723 WeakPolarHBondContact CZ3-OE2 3.33Å; W721-K779 VanDerWaalsContact CB-CE 3.48Å; W721-K779 HydrophobicContact CB-CG 4.48Å; W721-K779 VanDerWaalsContact CD2-NZ 3.27Å; W721-K779 VanDerWaalsContact CE2-NZ 3.31Å; W721-L780 WeakPolarHBondContact CA-O 3.36Å; W721-I781 HydrophobicContact CB-CD1 3.79Å; W721-R844 HydrophobicContact CZ3-CG 4.21Å; W721-H846 AromaticContact CD1-CD2 3.75Å; W721-H846 HydrophobicContact CD2-CB 3.53Å; W721-H846 AromaticContact CE2-CD2 3.75Å; W721-H846 AromaticContact CE2-CG 3.68Å; W721-H846 HydrophobicContact CE3-CB 3.89Å; W721-H846 HydrophobicContact CG-CB 4.12Å; W721-H846 HydrophobicContact CH2-CB 3.88Å; W721-H846 HydrophobicContact CZ2-CB 3.5Å; W721-H846 VanDerWaalsContact CZ2-CB 3.5Å; W721-H846 AromaticContact CZ2-CG 3.85Å; W721-H846 HydrophobicContact CZ3-CB 4.04Å; W721-H846 PolarHBondContact N-O 3.25Å; W721-H846 VanDerWaalsContact N-O 3.1Å; W721-H846 AromaticContact NE1-CD2 3.23Å; W721-H846 PolarHBondContact NE1-CD2 3.1Å; W721-H846 AromaticContact NE1-CG 3.67Å; W721-H846 PolarHBondContact O-N 2.98Å
722	I	95.1	Very high	81.3	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	123	177.2	-53.9	160.7	0	0	0	107.9	L780 P782 L795 L815 V843 V845	I722-L780 HydrophobicContact CB-CB 4.17Å; I722-L780 HydrophobicContact CB-CD1 4.47Å; I722-L780 HydrophobicContact CG2-CD1 4.4Å; I722-L780 PolarHBondContact N-O 3.42Å; I722-L780 PolarHBondContact O-N 2.86Å; I722-P782 HydrophobicContact CD1-CG 4.07Å; I722-P782 HydrophobicContact CG1-CG 4.31Å; I722-L795 HydrophobicContact CD1-CD2 4.45Å; I722-L795 HydrophobicContact CG2-CD1 4.5Å; I722-L815 HydrophobicContact CD1-CD1 3.68Å; I722-L815 HydrophobicContact CD1-CD2 4.08Å; I722-V843 HydrophobicContact CG2-CG1 3.64Å; I722-V845 HydrophobicContact CG1-CG1 4.06Å; I722-V845 HydrophobicContact CG1-CG2 4.28Å; I722-V845 HydrophobicContact CG2-CG2 4.32Å
723	E	94.3	Very high	83.1	Confident	50 Å²	50	50.7 Å²	50.7	23%	0.234	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	125.9	179.9	179.4	176.2	-138.1	0	0	108.8	W721 V843 R844	W721-E723 HydrophobicContact CE3-CB 3.83Å; W721-E723 HydrophobicContact CZ3-CB 3.57Å; W721-E723 HydrophobicContact CZ3-CG 4.47Å; W721-E723 WeakPolarHBondContact CZ3-OE2 3.33Å; E723-V843 WeakPolarHBondContact O-CA 3.36Å; E723-R844 HydrophobicContact CB-CB 4.38Å; E723-R844 PolarHBondContact N-O 2.7Å; E723-R844 PolarHBondContact O-N 2.91Å; E723-R844 IonicContact OE1-NH1 3.58Å; E723-R844 VanDerWaalsContact OE2-CD 3.3Å; E723-R844 WeakPolarHBondContact OE2-CD 3.3Å; E723-R844 IonicContact OE2-CZ 3.63Å; E723-R844 VanDerWaalsContact OE2-CZ 3.27Å; E723-R844 IonicContact OE2-NE 2.8Å; E723-R844 PolarHBondContact OE2-NE 3.43Å; E723-R844 IonicContact OE2-NH1 3.25Å; E723-R844 PolarHBondContact OE2-NH1 3.11Å
724	L	94.1	Very high	84.9	Confident	4 Å²	4	49.8 Å²	49.8	2%	0.021	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	116.6	175.4	-58.4	107.9	0	0	0	108.3	I727 F743 L777 P778 L780 V843	L724-I727 HydrophobicContact CD2-CD1 3.84Å; L724-F743 HydrophobicContact CD1-CE1 4.18Å; L724-F743 HydrophobicContact CD1-CZ 4.44Å; L724-F743 HydrophobicContact CD2-CD1 4.5Å; L724-F743 HydrophobicContact CD2-CE1 3.74Å; L724-F743 HydrophobicContact CD2-CZ 4.36Å; L724-L777 HydrophobicContact CB-CB 4.09Å; L724-L777 HydrophobicContact CB-CD1 3.86Å; L724-L777 HydrophobicContact CB-CG 4.45Å; L724-P778 WeakPolarHBondContact CD1-O 3.38Å; L724-L780 HydrophobicContact CD1-CD1 4.02Å; L724-L780 HydrophobicContact CD1-CG 4.07Å; L724-V843 HydrophobicContact CD2-CG2 3.94Å; L724-V843 HydrophobicContact CG-CG2 4.23Å
725	E	93.3	Very high	86.5	Confident	37 Å²	37	48 Å²	48	17%	0.173	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	-36.8	-171.7	-58.6	-177.3	-164.8	0	0	111.7	C774 S822 R842 R844	E725-C774 WeakPolarHBondContact O-CB 3.45Å; E725-C774 PolarHBondContact O-N 3.2Å; E725-S822 WeakPolarHBondContact OE1-CB 3.09Å; E725-S822 PolarHBondContact OE1-OG 3.06Å; E725-S822 PolarHBondContact OE2-OG 3.05Å; E725-R842 HydrophobicContact CB-CB 4.17Å; E725-R842 HydrophobicContact CB-CG 3.91Å; E725-R842 HydrophobicContact CG-CG 4.24Å; E725-R842 PolarHBondContact N-O 3.29Å; E725-R842 WeakPolarHBondContact OE2-CD 3.43Å; E725-R844 WeakPolarHBondContact OE1-CB 3.44Å; E725-R844 IonicContact OE1-CZ 3.64Å; E725-R844 IonicContact OE1-NE 3.79Å; E725-R844 PolarHBondContact OE1-NE 3.34Å; E725-R844 IonicContact OE1-NH2 3.22Å; E725-R844 PolarHBondContact OE1-NH2 3.49Å; E725-R844 IonicContact OE2-NH2 2.82Å
726	E	94.7	Very high	87.9	Confident	98 Å²	98	49.2 Å²	49.2	46%	0.458	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	139.4	-175.4	-179.8	176.8	-132.4	0	0	109.3	W772 G841 R842	E726-W772 WeakPolarHBondContact CA-O 3.4Å; E726-G841 CarbonylContact O-C 3.16Å; E726-G841 WeakPolarHBondContact O-CA 3.41Å; E726-R842 HydrophobicContact CB-CB 4.4Å; E726-R842 PolarHBondContact O-N 3.01Å
727	I	96.7	Very high	89.5	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	132.4	167.1	-69.5	176.4	0	0	0	109.5	L724 I741 F743 G771 W772 L777 L797 F825 I839 R840	L724-I727 HydrophobicContact CD2-CD1 3.84Å; I727-I741 HydrophobicContact CB-CD1 4.36Å; I727-I741 HydrophobicContact CD1-CD1 3.83Å; I727-I741 HydrophobicContact CG2-CD1 3.8Å; I727-F743 HydrophobicContact CD1-CE1 4.25Å; I727-F743 HydrophobicContact CD1-CZ 4.23Å; I727-G771 WeakPolarHBondContact O-CA 3.27Å; I727-W772 HydrophobicContact CB-CE3 4.39Å; I727-W772 HydrophobicContact CG2-CE3 4.02Å; I727-W772 HydrophobicContact CG2-CZ3 4.36Å; I727-W772 PolarHBondContact N-O 3.49Å; I727-W772 PolarHBondContact O-N 2.57Å; I727-L777 HydrophobicContact CB-CD1 4.38Å; I727-L777 HydrophobicContact CD1-CD1 4.29Å; I727-L777 HydrophobicContact CD1-CD2 3.95Å; I727-L777 HydrophobicContact CG1-CD1 4.07Å; I727-L797 HydrophobicContact CD1-CD2 4.44Å; I727-F825 HydrophobicContact CD1-CZ 4.41Å; I727-F825 HydrophobicContact CG1-CZ 4.34Å; I727-I839 HydrophobicContact CG2-CD1 3.86Å; I727-I839 HydrophobicContact CG2-CG1 3.86Å; I727-R840 WeakPolarHBondContact CA-O 3.35Å
728	D	95	Very high	90.8	Very high	26 Å²	26	45.8 Å²	45.8	14%	0.139	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	128.2	172.1	-113.4	-27.4	0	0	0	107.5	K769 R840 F908	D728-K769 WeakPolarHBondContact OD1-CE 3.34Å; D728-R840 HydrophobicContact CB-CG 3.51Å; D728-R840 PolarHBondContact N-O 3.37Å; D728-R840 PolarHBondContact O-N 2.88Å; D728-R840 IonicContact OD2-CZ 3.53Å; D728-R840 VanDerWaalsContact OD2-CZ 3.22Å; D728-R840 IonicContact OD2-NE 3.8Å; D728-R840 PolarHBondContact OD2-NE 3.39Å; D728-R840 IonicContact OD2-NH2 2.75Å; D728-R840 PolarHBondContact OD2-NH2 2.74Å; D728-F908 HydrophobicContact CB-CE1 3.88Å; D728-F908 HydrophobicContact CB-CZ 4.18Å
729	T	94.3	Very high	91.5	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	144.7	177	-55.1	0	0	0	0	110.4	V731 K769 L770 W772 V799 L829 I839	T729-V731 HydrophobicContact CG2-CG2 3.77Å; T729-K769 CarbonylContact O-C 3.6Å; T729-K769 WeakPolarHBondContact O-CA 3.36Å; T729-L770 PolarHBondContact N-O 3.07Å; T729-L770 PolarHBondContact O-N 3.17Å; T729-W772 WeakPolarHBondContact OG1-CZ3 3.37Å; T729-V799 HydrophobicContact CG2-CG2 4.31Å; T729-L829 HydrophobicContact CG2-CD1 3.48Å; T729-L829 VanDerWaalsContact CG2-CD1 3.48Å; T729-I839 HydrophobicContact CG2-CB 4.24Å; T729-I839 WeakPolarHBondContact OG1-CG1 3.09Å
730	I	91.4	Very high	91.9	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	126.4	164.7	-63.5	171.4	0	0	0	108.2	F767 L768 K769 G837 S838 A904 I907 F908	I730-F767 HydrophobicContact CG2-CB 4.23Å; I730-F767 HydrophobicContact CG2-CD1 3.94Å; I730-F767 HydrophobicContact CG2-CG 4.5Å; I730-L768 WeakPolarHBondContact CA-O 3.47Å; I730-K769 HydrophobicContact CG1-CB 4.18Å; I730-K769 HydrophobicContact CG1-CG 4.04Å; I730-G837 WeakPolarHBondContact O-CA 3.23Å; I730-S838 PolarHBondContact N-O 3.13Å; I730-S838 PolarHBondContact O-N 2.93Å; I730-A904 HydrophobicContact CB-CB 4.25Å; I730-A904 VanDerWaalsContact CD1-O 3.27Å; I730-A904 WeakPolarHBondContact CD1-O 3.47Å; I730-A904 HydrophobicContact CG2-CB 3.67Å; I730-I907 HydrophobicContact CD1-CB 3.8Å; I730-I907 HydrophobicContact CD1-CG2 3.72Å; I730-I907 HydrophobicContact CG2-CD1 4.48Å; I730-F908 HydrophobicContact CB-CZ 4.48Å; I730-F908 HydrophobicContact CD1-CB 4.38Å; I730-F908 HydrophobicContact CD1-CD1 3.56Å; I730-F908 HydrophobicContact CD1-CD2 3.76Å; I730-F908 HydrophobicContact CD1-CE1 3.67Å; I730-F908 HydrophobicContact CD1-CE2 3.88Å; I730-F908 HydrophobicContact CD1-CG 3.59Å; I730-F908 HydrophobicContact CD1-CZ 3.83Å; I730-F908 HydrophobicContact CG1-CD1 4.22Å; I730-F908 HydrophobicContact CG1-CE1 3.79Å; I730-F908 HydrophobicContact CG1-CE2 4.13Å; I730-F908 HydrophobicContact CG1-CZ 3.75Å
731	V	91.7	Very high	92.1	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	132.2	-178.7	178	0	0	0	0	109.7	T729 T733 F767 L768 L770 V799 Y808 L829	T729-V731 HydrophobicContact CG2-CG2 3.77Å; V731-T733 HydrophobicContact CB-CG2 4.39Å; V731-T733 HydrophobicContact CG1-CG2 3.99Å; V731-T733 PolarHBondContact O-N 3.44Å; V731-F767 CarbonylContact O-C 3.47Å; V731-F767 WeakPolarHBondContact O-CA 3.34Å; V731-L768 PolarHBondContact N-O 2.91Å; V731-L768 PolarHBondContact O-N 3.41Å; V731-L770 HydrophobicContact CG2-CD1 3.81Å; V731-V799 HydrophobicContact CG2-CG1 4.29Å; V731-Y808 HydrophobicContact CG1-CD1 3.88Å; V731-Y808 HydrophobicContact CG1-CG 4.18Å; V731-L829 HydrophobicContact CG2-CD1 4.23Å
732	K	89.4	Confident	92.3	Very high	90 Å²	90	34.3 Å²	34.3	39%	0.391	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	99.3	167.9	177.9	-168.9	168.3	-160.7	0	109.1	G766 F767 E834 M836	K732-G766 CarbonylContact C-O 3.54Å; K732-G766 WeakPolarHBondContact CA-O 3.1Å; K732-F767 HydrophobicContact CB-CD1 4.15Å; K732-F767 HydrophobicContact CB-CE1 3.83Å; K732-F767 HydrophobicContact CG-CE1 4.31Å; K732-E834 IonicContact NZ-OE2 2.74Å; K732-E834 PolarHBondContact NZ-OE2 3.48Å; K732-M836 WeakPolarHBondContact CB-O 3.26Å; K732-M836 PolarHBondContact N-O 3.33Å
733	T	87.4	Confident	92.3	Very high	17 Å²	17	34.3 Å²	34.3	10%	0.104	18%	0.181	C	C	.	.			trans	-155.6	151.7	179.2	-173.8	0	0	0	0	111.6	V731 S735 F739 G766 L768 Y808	V731-T733 HydrophobicContact CB-CG2 4.39Å; V731-T733 HydrophobicContact CG1-CG2 3.99Å; V731-T733 PolarHBondContact O-N 3.44Å; T733-S735 WeakPolarHBondContact OG1-CB 3.41Å; T733-S735 PolarHBondContact OG1-N 3.31Å; T733-F739 HydrophobicContact CG2-CZ 4.44Å; T733-G766 PolarHBondContact N-O 3.24Å; T733-G766 CarbonylContact O-C 3.53Å; T733-G766 WeakPolarHBondContact O-CA 3.18Å; T733-L768 HydrophobicContact CG2-CB 3.65Å; T733-L768 HydrophobicContact CG2-CD2 4.18Å; T733-Y808 VanDerWaalsContact OG1-CE1 3.31Å; T733-Y808 WeakPolarHBondContact OG1-CE1 3.47Å
734	A	85.1	Confident	92.4	Very high	98 Å²	98	32.5 Å²	32.5	81%	0.81	17%	0.173	S	C	*	.	S	Bend	trans	-94	-9.7	166.9	0	0	0	0	0	112.5
735	S	81.1	Confident	92.4	Very high	30 Å²	30	33.5 Å²	33.5	21%	0.21	18%	0.18	C	C	.	.			trans	-70.8	153.9	175.4	-175.7	0	0	0	0	111.4	T733 S737	T733-S735 WeakPolarHBondContact OG1-CB 3.41Å; T733-S735 PolarHBondContact OG1-N 3.31Å; S735-S737 WeakPolarHBondContact OG-CB 3.44Å; S735-S737 PolarHBondContact OG-N 2.84Å; S735-S737 PolarHBondContact OG-OG 3.09Å
736	K	83.3	Confident	92.3	Very high	159 Å²	159	35.9 Å²	35.9	69%	0.691	20%	0.201	S	C	*	.			trans	-116	9.4	173.8	-62.9	-176.8	179.7	179.9	0	112.6	Q760	K736-Q760 PolarHBondContact O-NE2 2.98Å; K736-Q760 VanDerWaalsContact O-NE2 3.14Å
737	S	88.1	Confident	92.1	Very high	32 Å²	32	31.2 Å²	31.2	22%	0.224	18%	0.179	C	C	.	.			trans	-61.7	165.9	-177.7	-58.5	0	0	0	0	112.8	S735 F739 D803	S735-S737 WeakPolarHBondContact OG-CB 3.44Å; S735-S737 PolarHBondContact OG-N 2.84Å; S735-S737 PolarHBondContact OG-OG 3.09Å; S737-F739 WeakPolarHBondContact O-CD2 3.49Å; S737-F739 VanDerWaalsContact O-CE2 3.23Å; S737-F739 WeakPolarHBondContact O-CE2 3.48Å; S737-D803 VanDerWaalsContact CB-OD2 3.26Å; S737-D803 WeakPolarHBondContact CB-OD2 3.21Å; S737-D803 PolarHBondContact OG-OD2 3.33Å
738	K	94.6	Very high	91.9	Very high	61 Å²	61	32 Å²	32	27%	0.265	18%	0.183	S	C	.	.			trans	-74.6	156	170.2	-72.6	-67.2	-169.1	-175.3	0	111.3	E756 N757 C802	K738-E756 HydrophobicContact CB-CB 4.16Å; K738-E756 HydrophobicContact CD-CB 4.29Å; K738-E756 WeakPolarHBondContact CE-OE1 3.48Å; K738-E756 HydrophobicContact CG-CB 4.44Å; K738-E756 WeakPolarHBondContact CG-OE2 3.46Å; K738-E756 IonicContact NZ-OE1 2.68Å; K738-N757 WeakPolarHBondContact CA-OD1 3.48Å; K738-N757 VanDerWaalsContact CD-OD1 3.27Å; K738-N757 WeakPolarHBondContact CD-OD1 3.35Å; K738-N757 PolarHBondContact NZ-O 3.18Å; K738-C802 VanDerWaalsContact C-SG 3.51Å; K738-C802 HydrophobicContact CB-CB 3.91Å; K738-C802 PolarHBondContact O-N 2.94Å
739	F	96.6	Very high	91.6	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	149	-178.7	-71.9	-98.6	0	0	0	111.6	T733 S737 E756 N757 L768 L770 W772 V799 K800 Y808	T733-F739 HydrophobicContact CG2-CZ 4.44Å; S737-F739 WeakPolarHBondContact O-CD2 3.49Å; S737-F739 VanDerWaalsContact O-CE2 3.23Å; S737-F739 WeakPolarHBondContact O-CE2 3.48Å; F739-E756 CarbonylContact O-C 3.55Å; F739-E756 WeakPolarHBondContact O-CA 3.29Å; F739-N757 PolarHBondContact N-OD1 3.08Å; F739-N757 PolarHBondContact O-N 3.49Å; F739-N757 PolarHBondContact O-OD1 3.05Å; F739-L768 HydrophobicContact CD2-CD2 4.18Å; F739-L768 HydrophobicContact CE2-CD2 3.61Å; F739-L768 HydrophobicContact CZ-CD2 4.5Å; F739-L770 HydrophobicContact CB-CD1 3.82Å; F739-L770 HydrophobicContact CB-CD2 4.41Å; F739-L770 HydrophobicContact CD1-CD1 4.13Å; F739-L770 HydrophobicContact CD2-CD1 3.61Å; F739-L770 HydrophobicContact CD2-CD2 3.68Å; F739-L770 HydrophobicContact CD2-CG 4.3Å; F739-L770 HydrophobicContact CE2-CD1 4.22Å; F739-L770 HydrophobicContact CE2-CD2 4.38Å; F739-L770 HydrophobicContact CG-CD1 3.58Å; F739-L770 HydrophobicContact CG-CD2 4.31Å; F739-W772 HydrophobicContact CB-CH2 4.24Å; F739-W772 HydrophobicContact CB-CZ2 3.86Å; F739-W772 WeakPolarHBondContact O-CZ2 3.42Å; F739-W772 PolarHBondContact O-NE1 3.32Å; F739-V799 HydrophobicContact CB-CG1 4.5Å; F739-V799 HydrophobicContact CD1-CG1 4.06Å; F739-K800 CarbonylContact C-O 3.46Å; F739-K800 WeakPolarHBondContact CA-O 3.43Å; F739-K800 WeakPolarHBondContact CB-O 3.41Å; F739-K800 WeakPolarHBondContact CD1-O 3.46Å; F739-Y808 HydrophobicContact CE1-CD1 4.32Å; F739-Y808 AromaticContact CE1-CD2 3.67Å; F739-Y808 HydrophobicContact CE1-CD2 3.67Å; F739-Y808 HydrophobicContact CE1-CE2 4.22Å; F739-Y808 AromaticContact CE1-CG 3.72Å; F739-Y808 HydrophobicContact CE1-CG 3.72Å; F739-Y808 HydrophobicContact CZ-CD1 4.48Å; F739-Y808 HydrophobicContact CZ-CD2 4.34Å; F739-Y808 HydrophobicContact CZ-CG 4.31Å
740	F	97.3	Very high	91.4	Very high	12 Å²	12	44 Å²	44	5%	0.053	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	169.5	171.1	69.9	-78.8	0	0	0	110.4	E742 S754 K800 Y805	F740-E742 HydrophobicContact CD2-CG 4.15Å; F740-E742 HydrophobicContact CE2-CG 3.59Å; F740-S754 WeakPolarHBondContact CA-OG 3.35Å; F740-K800 HydrophobicContact CD1-CB 4.06Å; F740-K800 WeakPolarHBondContact CD1-O 3.32Å; F740-K800 HydrophobicContact CE1-CB 3.51Å; F740-K800 HydrophobicContact CE2-CB 4.05Å; F740-K800 HydrophobicContact CE2-CD 4.29Å; F740-K800 HydrophobicContact CZ-CB 3.5Å; F740-K800 VanDerWaalsContact CZ-CB 3.5Å; F740-K800 HydrophobicContact CZ-CD 3.94Å; F740-K800 HydrophobicContact CZ-CG 4.34Å; F740-K800 PolarHBondContact N-O 3.19Å; F740-K800 PolarHBondContact O-N 3.45Å; F740-Y805 AromaticContact CE1-CD1 3.9Å; F740-Y805 HydrophobicContact CE1-CD1 3.9Å; F740-Y805 HydrophobicContact CE1-CE1 4.07Å; F740-Y805 AromaticContact CZ-CD1 3.63Å; F740-Y805 HydrophobicContact CZ-CD1 3.63Å; F740-Y805 AromaticContact CZ-CE1 3.94Å; F740-Y805 HydrophobicContact CZ-CE1 3.94Å
741	I	97.7	Very high	91.5	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	130.1	-179.5	-54.1	176.7	0	0	0	109	I727 F743 R753 S754 W772 L797 S798 V799	I727-I741 HydrophobicContact CB-CD1 4.36Å; I727-I741 HydrophobicContact CD1-CD1 3.83Å; I727-I741 HydrophobicContact CG2-CD1 3.8Å; I741-F743 HydrophobicContact CB-CE2 3.91Å; I741-F743 HydrophobicContact CB-CZ 3.82Å; I741-F743 HydrophobicContact CG2-CD1 4.33Å; I741-F743 HydrophobicContact CG2-CD2 4.36Å; I741-F743 HydrophobicContact CG2-CE1 3.78Å; I741-F743 HydrophobicContact CG2-CE2 3.82Å; I741-F743 HydrophobicContact CG2-CZ 3.5Å; I741-F743 VanDerWaalsContact CG2-CZ 3.5Å; I741-F743 WeakPolarHBondContact O-CE2 3.49Å; I741-R753 CarbonylContact O-C 3.55Å; I741-R753 WeakPolarHBondContact O-CA 3.44Å; I741-S754 PolarHBondContact N-OG 3.19Å; I741-S754 PolarHBondContact O-N 3.06Å; I741-W772 HydrophobicContact CD1-CD2 3.89Å; I741-W772 HydrophobicContact CD1-CE3 3.9Å; I741-W772 HydrophobicContact CD1-CH2 4.1Å; I741-W772 HydrophobicContact CD1-CZ2 4.07Å; I741-W772 HydrophobicContact CD1-CZ3 4.03Å; I741-W772 HydrophobicContact CG1-CD2 4.34Å; I741-W772 HydrophobicContact CG1-CH2 4.09Å; I741-W772 HydrophobicContact CG1-CZ2 3.75Å; I741-L797 HydrophobicContact CG2-CB 4.19Å; I741-L797 HydrophobicContact CG2-CD2 4.19Å; I741-L797 HydrophobicContact CG2-CG 4.05Å; I741-S798 WeakPolarHBondContact CA-O 3.2Å; I741-V799 HydrophobicContact CG1-CG2 4.44Å
742	E	96.8	Very high	91.6	Very high	4 Å²	4	50 Å²	50	2%	0.019	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	133.4	167.9	-57.5	-166.9	138.5	0	0	110.9	F740 H744 T751 Q752 R753 L797 S798 K800	F740-E742 HydrophobicContact CD2-CG 4.15Å; F740-E742 HydrophobicContact CE2-CG 3.59Å; E742-H744 IonicContact OE2-CE1 3.74Å; E742-H744 PolarHBondContact OE2-CE1 2.89Å; E742-T751 HydrophobicContact CB-CG2 4.19Å; E742-Q752 CarbonylContact C-O 3.57Å; E742-Q752 WeakPolarHBondContact CA-O 3.39Å; E742-R753 HydrophobicContact CG-CG 4.2Å; E742-R753 IonicContact OE1-CZ 3.75Å; E742-R753 IonicContact OE1-NE 3.41Å; E742-R753 PolarHBondContact OE1-NE 3.25Å; E742-R753 IonicContact OE1-NH2 3.18Å; E742-R753 PolarHBondContact OE1-NH2 3.2Å; E742-L797 WeakPolarHBondContact O-CA 3.4Å; E742-S798 PolarHBondContact N-O 2.91Å; E742-S798 PolarHBondContact O-N 3.37Å; E742-K800 HydrophobicContact CG-CD 4.05Å; E742-K800 IonicContact OE1-NZ 3.29Å; E742-K800 WeakPolarHBondContact OE2-CD 3.29Å; E742-K800 VanDerWaalsContact OE2-CE 3.25Å; E742-K800 WeakPolarHBondContact OE2-CE 3.24Å; E742-K800 IonicContact OE2-NZ 2.85Å; E742-K800 PolarHBondContact OE2-NZ 2.81Å
743	F	96.3	Very high	91.9	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	112.2	-179.3	-55.7	-90.5	0	0	0	109.4	L724 I727 I741 Q752 L777 P778 L780 L797	L724-F743 HydrophobicContact CD1-CE1 4.18Å; L724-F743 HydrophobicContact CD1-CZ 4.44Å; L724-F743 HydrophobicContact CD2-CD1 4.5Å; L724-F743 HydrophobicContact CD2-CE1 3.74Å; L724-F743 HydrophobicContact CD2-CZ 4.36Å; I727-F743 HydrophobicContact CD1-CE1 4.25Å; I727-F743 HydrophobicContact CD1-CZ 4.23Å; I741-F743 HydrophobicContact CB-CE2 3.91Å; I741-F743 HydrophobicContact CB-CZ 3.82Å; I741-F743 HydrophobicContact CG2-CD1 4.33Å; I741-F743 HydrophobicContact CG2-CD2 4.36Å; I741-F743 HydrophobicContact CG2-CE1 3.78Å; I741-F743 HydrophobicContact CG2-CE2 3.82Å; I741-F743 HydrophobicContact CG2-CZ 3.5Å; I741-F743 VanDerWaalsContact CG2-CZ 3.5Å; I741-F743 WeakPolarHBondContact O-CE2 3.49Å; F743-Q752 HydrophobicContact CB-CB 4.37Å; F743-Q752 PolarHBondContact N-O 3.36Å; F743-Q752 PolarHBondContact O-N 3.22Å; F743-L777 HydrophobicContact CZ-CD2 4.1Å; F743-P778 HydrophobicContact CD2-CG 3.78Å; F743-P778 HydrophobicContact CE2-CG 3.74Å; F743-L780 HydrophobicContact CB-CD1 4.34Å; F743-L780 HydrophobicContact CB-CD2 4.14Å; F743-L780 HydrophobicContact CD1-CD1 4.47Å; F743-L780 HydrophobicContact CG-CD2 4.3Å; F743-L797 HydrophobicContact CD1-CD1 3.99Å; F743-L797 HydrophobicContact CD1-CD2 4.33Å; F743-L797 HydrophobicContact CD1-CG 3.8Å; F743-L797 HydrophobicContact CE1-CD1 4.38Å; F743-L797 HydrophobicContact CE1-CD2 3.91Å; F743-L797 HydrophobicContact CE1-CG 3.87Å
744	H	95.9	Very high	92.4	Very high	13 Å²	13	52.5 Å²	52.5	6%	0.06	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	140.9	178.8	-59.6	73.9	0	0	0	109.9	L565 F568 E742 T751 L796	L565-H744 HydrophobicContact CD2-CB 3.83Å; F568-H744 HydrophobicContact CE2-CB 4.24Å; F568-H744 AromaticContact CE2-CE1 3.83Å; F568-H744 AromaticContact CE2-CG 3.78Å; F568-H744 AromaticContact CE2-ND1 3.61Å; F568-H744 HydrophobicContact CZ-CB 4.45Å; F568-H744 AromaticContact CZ-ND1 3.71Å; E742-H744 IonicContact OE2-CE1 3.74Å; E742-H744 PolarHBondContact OE2-CE1 2.89Å; H744-T751 PolarHBondContact CD2-OG1 2.73Å; H744-T751 VanDerWaalsContact CE1-CG2 3.48Å; H744-T751 WeakPolarHBondContact CE1-CG2 3.4Å; H744-T751 WeakPolarHBondContact NE2-CG2 3.32Å; H744-T751 PolarHBondContact NE2-OG1 3.24Å; H744-L796 HydrophobicContact CB-CB 4.18Å; H744-L796 PolarHBondContact N-O 2.93Å; H744-L796 PolarHBondContact O-N 2.94Å
745	S	94.3	Very high	93	Very high	24 Å²	24	50.9 Å²	50.9	17%	0.168	26%	0.26	C	S	.	.			trans	-164.6	150.8	171.8	-172.2	0	0	0	0	111.5	C747 L748 H794	S745-C747 PolarHBondContact O-N 2.88Å; S745-C747 VanDerWaalsContact O-N 3.14Å; S745-C747 PolarHBondContact OG-N 3.4Å; S745-C747 PolarHBondContact OG-SG 2.68Å; S745-C747 VanDerWaalsContact OG-SG 3.37Å; S745-L748 PolarHBondContact O-N 3.08Å; S745-H794 VanDerWaalsContact CB-O 3.27Å; S745-H794 WeakPolarHBondContact CB-O 3.24Å; S745-H794 PolarHBondContact OG-O 2.91Å
746	S	90.1	Very high	93.7	Very high	87 Å²	87	54.2 Å²	54.2	61%	0.608	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-15.7	165	45.8	0	0	0	0	113.9	Y789 Q793	S746-Y789 PolarHBondContact O-OH 2.95Å; S746-Q793 PolarHBondContact OG-OE1 2.96Å
747	C	91.5	Very high	94.3	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	3.5	179.3	87.2	0	0	0	0	114.7	S745 P782 V783 Y789 Q793	S745-C747 PolarHBondContact O-N 2.88Å; S745-C747 VanDerWaalsContact O-N 3.14Å; S745-C747 PolarHBondContact OG-N 3.4Å; S745-C747 PolarHBondContact OG-SG 2.68Å; S745-C747 VanDerWaalsContact OG-SG 3.37Å; C747-P782 CarbonylContact O-C 3.49Å; C747-P782 WeakPolarHBondContact O-CA 3.41Å; C747-V783 PolarHBondContact O-N 3.47Å; C747-Y789 VanDerWaalsContact CA-OH 3.29Å; C747-Y789 WeakPolarHBondContact CA-OH 3.29Å; C747-Y789 HydrophobicContact CB-CE1 3.99Å; C747-Y789 WeakPolarHBondContact CB-OH 3.22Å; C747-Q793 HydrophobicContact CB-CB 4.07Å; C747-Q793 HydrophobicContact CB-CG 3.63Å
748	L	92.5	Very high	94.6	Very high	18 Å²	18	48.1 Å²	48.1	9%	0.094	25%	0.245	C	C	.	.	S	Bend	trans	-114.5	149.9	178.5	-59.1	175.8	0	0	0	110	S745 Q752 L780	S745-L748 PolarHBondContact O-N 3.08Å; L748-Q752 HydrophobicContact CD1-CG 4.47Å; L748-L780 HydrophobicContact CD1-CD1 4.38Å; L748-L780 HydrophobicContact CD1-CD2 4.44Å; L748-L780 HydrophobicContact CD2-CB 3.89Å
749	E	88.3	Confident	94.4	Very high	131 Å²	131	50 Å²	50	61%	0.612	26%	0.257	S	S	*	.	S	Bend	trans	-73.7	-36	177.5	-63.3	175.7	-152.1	0	0	110.9	R719 V783	R719-E749 IonicContact CZ-OE1 3.77Å; R719-E749 IonicContact NH1-OE1 2.78Å; R719-E749 IonicContact NH2-OE1 3.45Å; R719-E749 PolarHBondContact NH2-OE1 2.91Å; E749-V783 HydrophobicContact CG-CG1 3.65Å
750	E	90	Very high	94.2	Very high	148 Å²	148	53.8 Å²	53.8	69%	0.692	28%	0.275	S	S	*	.	S	Bend	trans	-145.7	152.5	178.4	-62.6	-176.4	163.7	0	0	111.5	Q752	E750-Q752 PolarHBondContact O-N 3.01Å; E750-Q752 PolarHBondContact O-NE2 2.9Å
751	T	92.8	Very high	93.8	Very high	60 Å²	60	56 Å²	56	37%	0.368	29%	0.291	S	S	.	.			trans	-56.4	124.6	172.4	-63.3	0	0	0	0	111.4	E742 H744	E742-T751 HydrophobicContact CB-CG2 4.19Å; H744-T751 PolarHBondContact CD2-OG1 2.73Å; H744-T751 VanDerWaalsContact CE1-CG2 3.48Å; H744-T751 WeakPolarHBondContact CE1-CG2 3.4Å; H744-T751 WeakPolarHBondContact NE2-CG2 3.32Å; H744-T751 PolarHBondContact NE2-OG1 3.24Å
752	Q	95.4	Very high	93.1	Very high	66 Å²	66	58.9 Å²	58.9	31%	0.308	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	154.7	177.3	-59.4	-56.8	-61.1	0	0	111.4	E742 F743 L748 E750 P778 L780	E742-Q752 CarbonylContact C-O 3.57Å; E742-Q752 WeakPolarHBondContact CA-O 3.39Å; F743-Q752 HydrophobicContact CB-CB 4.37Å; F743-Q752 PolarHBondContact N-O 3.36Å; F743-Q752 PolarHBondContact O-N 3.22Å; L748-Q752 HydrophobicContact CD1-CG 4.47Å; E750-Q752 PolarHBondContact O-N 3.01Å; E750-Q752 PolarHBondContact O-NE2 2.9Å; Q752-P778 HydrophobicContact CB-CB 4.42Å; Q752-P778 HydrophobicContact CB-CG 4.16Å; Q752-L780 HydrophobicContact CB-CD2 3.54Å; Q752-L780 HydrophobicContact CG-CD2 3.68Å
753	R	95.9	Very high	92.2	Very high	148 Å²	148	64.1 Å²	64.1	56%	0.558	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.9	144.8	179.8	-62.6	-170.7	165.7	141.4	-3	111.6	I741 E742	I741-R753 CarbonylContact O-C 3.55Å; I741-R753 WeakPolarHBondContact O-CA 3.44Å; E742-R753 HydrophobicContact CG-CG 4.2Å; E742-R753 IonicContact OE1-CZ 3.75Å; E742-R753 IonicContact OE1-NE 3.41Å; E742-R753 PolarHBondContact OE1-NE 3.25Å; E742-R753 IonicContact OE1-NH2 3.18Å; E742-R753 PolarHBondContact OE1-NH2 3.2Å
754	S	97.6	Very high	91.4	Very high	11 Å²	11	65.8 Å²	65.8	8%	0.077	35%	0.349	C	S	.	.			trans	-78	163.5	161.4	79.7	0	0	0	0	111	F740 I741 W772 Q776	F740-S754 WeakPolarHBondContact CA-OG 3.35Å; I741-S754 PolarHBondContact N-OG 3.19Å; I741-S754 PolarHBondContact O-N 3.06Å; S754-W772 PolarHBondContact OG-NE1 3.06Å; S754-Q776 VanDerWaalsContact CA-O 3.29Å; S754-Q776 WeakPolarHBondContact CA-O 3.42Å; S754-Q776 VanDerWaalsContact CB-O 3.29Å; S754-Q776 WeakPolarHBondContact CB-O 3.36Å
755	S	96.7	Very high	90.6	Very high	65 Å²	65	70.9 Å²	70.9	46%	0.455	38%	0.383	S	S	.	.			trans	-78.4	-179.1	155.6	56.4	0	0	0	0	110.9	W772 Q776	S755-W772 PolarHBondContact O-NE1 3.18Å; S755-Q776 PolarHBondContact N-O 2.83Å; S755-Q776 VanDerWaalsContact OG-CA 3.29Å; S755-Q776 WeakPolarHBondContact OG-CA 3.34Å; S755-Q776 PolarHBondContact OG-O 3.46Å
756	E	96.6	Very high	90	Very high	99 Å²	99	71.5 Å²	71.5	46%	0.463	39%	0.393	S	S	.	.			trans	-63.8	153.5	-176.4	59.7	160.6	-122.6	0	0	114.1	K738 F739 N758 Q776	K738-E756 HydrophobicContact CB-CB 4.16Å; K738-E756 HydrophobicContact CD-CB 4.29Å; K738-E756 WeakPolarHBondContact CE-OE1 3.48Å; K738-E756 HydrophobicContact CG-CB 4.44Å; K738-E756 WeakPolarHBondContact CG-OE2 3.46Å; K738-E756 IonicContact NZ-OE1 2.68Å; F739-E756 CarbonylContact O-C 3.55Å; F739-E756 WeakPolarHBondContact O-CA 3.29Å; E756-N758 PolarHBondContact O-N 2.95Å; E756-Q776 VanDerWaalsContact O-CG 3.31Å; E756-Q776 WeakPolarHBondContact O-CG 3.41Å
757	N	96.4	Very high	89.9	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	37%	0.37	C	S	.	.			trans	-60.4	125.6	177.4	67.1	-74.4	0	0	0	111.4	K738 F739 L759 Q760 L770 G771 W772	K738-N757 WeakPolarHBondContact CA-OD1 3.48Å; K738-N757 VanDerWaalsContact CD-OD1 3.27Å; K738-N757 WeakPolarHBondContact CD-OD1 3.35Å; K738-N757 PolarHBondContact NZ-O 3.18Å; F739-N757 PolarHBondContact N-OD1 3.08Å; F739-N757 PolarHBondContact O-N 3.49Å; F739-N757 PolarHBondContact O-OD1 3.05Å; N757-L759 PolarHBondContact ND2-O 2.84Å; N757-Q760 PolarHBondContact ND2-OE1 3.35Å; N757-L770 HydrophobicContact CB-CD2 4.41Å; N757-L770 WeakPolarHBondContact ND2-CD2 3.47Å; N757-G771 CarbonylContact C-O 3.58Å; N757-G771 WeakPolarHBondContact CA-O 3.46Å; N757-W772 HydrophobicContact CB-CD2 4Å; N757-W772 HydrophobicContact CB-CG 4.45Å; N757-W772 HydrophobicContact CB-CH2 4.35Å; N757-W772 HydrophobicContact CB-CZ2 3.82Å
758	N	93.8	Very high	89.8	Confident	63 Å²	63	68.8 Å²	68.8	34%	0.337	37%	0.371	S	S	.	.	S	Bend	trans	-86.3	-12.3	178.7	70.8	-66.5	0	0	0	113.2	E756 G771 W772 T773 Q776	E756-N758 PolarHBondContact O-N 2.95Å; N758-G771 PolarHBondContact N-O 3.4Å; N758-G771 PolarHBondContact OD1-O 2.91Å; N758-W772 WeakPolarHBondContact OD1-CA 3.04Å; N758-T773 PolarHBondContact OD1-N 2.98Å; N758-Q776 HydrophobicContact CB-CG 4.24Å; N758-Q776 PolarHBondContact OD1-OE1 3.31Å; N758-Q776 VanDerWaalsContact OD1-OE1 3.05Å
759	L	90.8	Very high	89.8	Confident	101 Å²	101	70.8 Å²	70.8	53%	0.529	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	141.2	173.7	-60.6	173.6	0	0	0	110.2	N757 G771	N757-L759 PolarHBondContact ND2-O 2.84Å; L759-G771 PolarHBondContact N-O 3.46Å; L759-G771 VanDerWaalsContact N-O 3.1Å; L759-G771 PolarHBondContact O-N 3.42Å
760	Q	92.2	Very high	90.1	Very high	79 Å²	79	64.6 Å²	64.6	37%	0.369	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	147.4	166.2	61.3	-159	78.5	0	0	112	K736 N757 K769 L770	K736-Q760 PolarHBondContact O-NE2 2.98Å; K736-Q760 VanDerWaalsContact O-NE2 3.14Å; N757-Q760 PolarHBondContact ND2-OE1 3.35Å; Q760-K769 CarbonylContact C-O 3.56Å; Q760-K769 WeakPolarHBondContact CA-O 3.4Å; Q760-L770 HydrophobicContact CB-CD2 4.18Å
761	C	88.1	Confident	90.4	Very high	58 Å²	58	57.7 Å²	57.7	39%	0.392	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	155.6	171.6	-150.8	0	0	0	0	111.8	D763 K769	C761-D763 PolarHBondContact SG-OD1 2.78Å; C761-D763 VanDerWaalsContact SG-OD1 3.41Å; C761-D763 PolarHBondContact SG-OD2 3.4Å; C761-K769 PolarHBondContact N-O 3.27Å; C761-K769 PolarHBondContact O-N 3.04Å
762	C	83.9	Confident	90.6	Very high	62 Å²	62	54.9 Å²	54.9	42%	0.419	30%	0.301	S	S	.	.			trans	-135.1	55.4	-176.8	-163.9	0	0	0	0	110.3	V764 F767 L768	C762-V764 PolarHBondContact O-N 2.85Å; C762-F767 PolarHBondContact SG-O 2.84Å; C762-L768 HydrophobicContact CB-CD1 4.19Å
763	D	77.8	Confident	90.7	Very high	113 Å²	113	53.8 Å²	53.8	60%	0.604	30%	0.299	S	S	*	.	S	Bend	trans	-64.8	-24.3	-178.4	-54.8	-68.8	0	0	0	113.2	C761	C761-D763 PolarHBondContact SG-OD1 2.78Å; C761-D763 VanDerWaalsContact SG-OD1 3.41Å; C761-D763 PolarHBondContact SG-OD2 3.4Å
764	V	79	Confident	90.5	Very high	35 Å²	35	50.4 Å²	50.4	21%	0.212	30%	0.296	C	S	.	.	S	Bend	trans	-124.1	123.1	179.3	179.3	0	0	0	0	109.6	C762 G766 F767 I907 V913	C762-V764 PolarHBondContact O-N 2.85Å; V764-G766 PolarHBondContact O-N 3.42Å; V764-F767 HydrophobicContact CG1-CD2 4.07Å; V764-F767 PolarHBondContact O-N 2.97Å; V764-F767 VanDerWaalsContact O-N 3.09Å; V764-F767 VanDerWaalsContact O-O 3.11Å; V764-I907 HydrophobicContact CB-CD1 3.66Å; V764-I907 HydrophobicContact CB-CG1 4.28Å; V764-I907 HydrophobicContact CG1-CD1 4.24Å; V764-I907 HydrophobicContact CG2-CD1 3.65Å; V764-I907 HydrophobicContact CG2-CG1 3.68Å; V764-V913 HydrophobicContact CG2-CG2 4.34Å
765	P	78.3	Confident	90.4	Very high	121 Å²	121	58.5 Å²	58.5	79%	0.786	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	133.9	178.3	-28.6	35.8	0	0	0	113.2	F767	P765-F767 VanDerWaalsContact C-N 3.3Å
766	G	82.8	Confident	90.4	Very high	36 Å²	36	57.1 Å²	57.1	37%	0.371	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.6	3.1	-177.9	0	0	0	0	0	115	K732 T733 V764	K732-G766 CarbonylContact C-O 3.54Å; K732-G766 WeakPolarHBondContact CA-O 3.1Å; T733-G766 PolarHBondContact N-O 3.24Å; T733-G766 CarbonylContact O-C 3.53Å; T733-G766 WeakPolarHBondContact O-CA 3.18Å; V764-G766 PolarHBondContact O-N 3.42Å
767	F	87.2	Confident	90.4	Very high	27 Å²	27	53.1 Å²	53.1	12%	0.118	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	135.9	171.5	-68	-88.4	0	0	0	111.3	I730 V731 K732 C762 V764 P765 N902 P903 A904 I907	I730-F767 HydrophobicContact CG2-CB 4.23Å; I730-F767 HydrophobicContact CG2-CD1 3.94Å; I730-F767 HydrophobicContact CG2-CG 4.5Å; V731-F767 CarbonylContact O-C 3.47Å; V731-F767 WeakPolarHBondContact O-CA 3.34Å; K732-F767 HydrophobicContact CB-CD1 4.15Å; K732-F767 HydrophobicContact CB-CE1 3.83Å; K732-F767 HydrophobicContact CG-CE1 4.31Å; C762-F767 PolarHBondContact SG-O 2.84Å; V764-F767 HydrophobicContact CG1-CD2 4.07Å; V764-F767 PolarHBondContact O-N 2.97Å; V764-F767 VanDerWaalsContact O-N 3.09Å; V764-F767 VanDerWaalsContact O-O 3.11Å; P765-F767 VanDerWaalsContact C-N 3.3Å; F767-N902 WeakPolarHBondContact CE1-OD1 2.97Å; F767-P903 HydrophobicContact CE2-CB 3.99Å; F767-P903 HydrophobicContact CE2-CG 4.07Å; F767-P903 HydrophobicContact CZ-CB 4.24Å; F767-P903 HydrophobicContact CZ-CG 4.22Å; F767-A904 HydrophobicContact CD1-CB 4.25Å; F767-A904 HydrophobicContact CE1-CB 4.1Å; F767-I907 HydrophobicContact CB-CD1 3.89Å; F767-I907 HydrophobicContact CD2-CD1 4.48Å; F767-I907 HydrophobicContact CG-CD1 4.14Å
768	L	90.3	Very high	90.4	Very high	4 Å²	4	54.2 Å²	54.2	2%	0.021	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	119.6	175.2	-171.3	68.3	0	0	0	108.6	I730 V731 T733 F739 C762 L770	I730-L768 WeakPolarHBondContact CA-O 3.47Å; V731-L768 PolarHBondContact N-O 2.91Å; V731-L768 PolarHBondContact O-N 3.41Å; T733-L768 HydrophobicContact CG2-CB 3.65Å; T733-L768 HydrophobicContact CG2-CD2 4.18Å; F739-L768 HydrophobicContact CD2-CD2 4.18Å; F739-L768 HydrophobicContact CE2-CD2 3.61Å; F739-L768 HydrophobicContact CZ-CD2 4.5Å; C762-L768 HydrophobicContact CB-CD1 4.19Å; L768-L770 HydrophobicContact CD2-CD2 3.69Å; L768-L770 HydrophobicContact CD2-CG 4.31Å; L768-L770 HydrophobicContact CG-CD2 3.91Å; L768-L770 HydrophobicContact CG-CG 4.24Å
769	K	92.3	Very high	90.4	Very high	59 Å²	59	56 Å²	56	26%	0.257	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	136.1	168.1	-173.3	177.2	178.2	-174.8	0	108.5	D728 T729 I730 Q760 C761	D728-K769 WeakPolarHBondContact OD1-CE 3.34Å; T729-K769 CarbonylContact O-C 3.6Å; T729-K769 WeakPolarHBondContact O-CA 3.36Å; I730-K769 HydrophobicContact CG1-CB 4.18Å; I730-K769 HydrophobicContact CG1-CG 4.04Å; Q760-K769 CarbonylContact C-O 3.56Å; Q760-K769 WeakPolarHBondContact CA-O 3.4Å; C761-K769 PolarHBondContact N-O 3.27Å; C761-K769 PolarHBondContact O-N 3.04Å
770	L	94.8	Very high	90.6	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.01	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	144.4	-174.4	-61.5	167.1	0	0	0	108.8	T729 V731 F739 N757 Q760 L768 W772	T729-L770 PolarHBondContact N-O 3.07Å; T729-L770 PolarHBondContact O-N 3.17Å; V731-L770 HydrophobicContact CG2-CD1 3.81Å; F739-L770 HydrophobicContact CB-CD1 3.82Å; F739-L770 HydrophobicContact CB-CD2 4.41Å; F739-L770 HydrophobicContact CD1-CD1 4.13Å; F739-L770 HydrophobicContact CD2-CD1 3.61Å; F739-L770 HydrophobicContact CD2-CD2 3.68Å; F739-L770 HydrophobicContact CD2-CG 4.3Å; F739-L770 HydrophobicContact CE2-CD1 4.22Å; F739-L770 HydrophobicContact CE2-CD2 4.38Å; F739-L770 HydrophobicContact CG-CD1 3.58Å; F739-L770 HydrophobicContact CG-CD2 4.31Å; N757-L770 HydrophobicContact CB-CD2 4.41Å; N757-L770 WeakPolarHBondContact ND2-CD2 3.47Å; Q760-L770 HydrophobicContact CB-CD2 4.18Å; L768-L770 HydrophobicContact CD2-CD2 3.69Å; L768-L770 HydrophobicContact CD2-CG 4.31Å; L768-L770 HydrophobicContact CG-CD2 3.91Å; L768-L770 HydrophobicContact CG-CG 4.24Å; L770-W772 HydrophobicContact CB-CE3 4.49Å; L770-W772 HydrophobicContact CB-CH2 3.64Å; L770-W772 HydrophobicContact CB-CZ3 3.57Å; L770-W772 HydrophobicContact CD1-CH2 3.93Å; L770-W772 HydrophobicContact CG-CH2 4.38Å
771	G	95.6	Very high	90.7	Very high	2 Å²	2	51 Å²	51	2%	0.021	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	143.5	176.7	0	0	0	0	0	113.6	I727 N757 N758 L759	I727-G771 WeakPolarHBondContact O-CA 3.27Å; N757-G771 CarbonylContact C-O 3.58Å; N757-G771 WeakPolarHBondContact CA-O 3.46Å; N758-G771 PolarHBondContact N-O 3.4Å; N758-G771 PolarHBondContact OD1-O 2.91Å; L759-G771 PolarHBondContact N-O 3.46Å; L759-G771 VanDerWaalsContact N-O 3.1Å; L759-G771 PolarHBondContact O-N 3.42Å
772	W	97.8	Very high	91	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.008	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	134.7	176.6	-61.7	-104.1	0	0	0	109.3	E726 I727 T729 F739 I741 S754 S755 N757 N758 L770 Q776 L777 V799	E726-W772 WeakPolarHBondContact CA-O 3.4Å; I727-W772 HydrophobicContact CB-CE3 4.39Å; I727-W772 HydrophobicContact CG2-CE3 4.02Å; I727-W772 HydrophobicContact CG2-CZ3 4.36Å; I727-W772 PolarHBondContact N-O 3.49Å; I727-W772 PolarHBondContact O-N 2.57Å; T729-W772 WeakPolarHBondContact OG1-CZ3 3.37Å; F739-W772 HydrophobicContact CB-CH2 4.24Å; F739-W772 HydrophobicContact CB-CZ2 3.86Å; F739-W772 WeakPolarHBondContact O-CZ2 3.42Å; F739-W772 PolarHBondContact O-NE1 3.32Å; I741-W772 HydrophobicContact CD1-CD2 3.89Å; I741-W772 HydrophobicContact CD1-CE3 3.9Å; I741-W772 HydrophobicContact CD1-CH2 4.1Å; I741-W772 HydrophobicContact CD1-CZ2 4.07Å; I741-W772 HydrophobicContact CD1-CZ3 4.03Å; I741-W772 HydrophobicContact CG1-CD2 4.34Å; I741-W772 HydrophobicContact CG1-CH2 4.09Å; I741-W772 HydrophobicContact CG1-CZ2 3.75Å; S754-W772 PolarHBondContact OG-NE1 3.06Å; S755-W772 PolarHBondContact O-NE1 3.18Å; N757-W772 HydrophobicContact CB-CD2 4Å; N757-W772 HydrophobicContact CB-CG 4.45Å; N757-W772 HydrophobicContact CB-CH2 4.35Å; N757-W772 HydrophobicContact CB-CZ2 3.82Å; N758-W772 WeakPolarHBondContact OD1-CA 3.04Å; L770-W772 HydrophobicContact CB-CE3 4.49Å; L770-W772 HydrophobicContact CB-CH2 3.64Å; L770-W772 HydrophobicContact CB-CZ3 3.57Å; L770-W772 HydrophobicContact CD1-CH2 3.93Å; L770-W772 HydrophobicContact CG-CH2 4.38Å; W772-Q776 HydrophobicContact CB-CB 4.21Å; W772-Q776 HydrophobicContact CG-CB 4.48Å; W772-L777 HydrophobicContact CB-CD1 4.16Å; W772-L777 HydrophobicContact CB-CD2 3.76Å; W772-L777 HydrophobicContact CB-CG 3.91Å; W772-L777 HydrophobicContact CG-CD2 4.2Å; W772-V799 HydrophobicContact CH2-CG1 4.18Å
773	T	95.9	Very high	91.3	Very high	43 Å²	43	47.2 Å²	47.2	26%	0.264	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	171.7	170.6	73.6	0	0	0	0	111	N758 K775 Q776 L777	N758-T773 PolarHBondContact OD1-N 2.98Å; T773-K775 PolarHBondContact O-N 2.89Å; T773-K775 PolarHBondContact OG1-N 3.36Å; T773-Q776 PolarHBondContact O-N 3.16Å; T773-Q776 PolarHBondContact O-OE1 3.28Å; T773-Q776 PolarHBondContact OG1-OE1 3.15Å; T773-L777 WeakPolarHBondContact O-CG 3.29Å; T773-L777 PolarHBondContact O-N 3.34Å
774	C	93.8	Very high	91.9	Very high	76 Å²	76	42 Å²	42	51%	0.514	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-15.7	173	68.5	0	0	0	0	115.3	E725	E725-C774 WeakPolarHBondContact O-CB 3.45Å; E725-C774 PolarHBondContact O-N 3.2Å
775	K	94.2	Very high	92.4	Very high	181 Å²	181	40.4 Å²	40.4	79%	0.787	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-21.4	173.2	-66.1	-174.9	177.9	-177.4	0	113.9	T773	T773-K775 PolarHBondContact O-N 2.89Å; T773-K775 PolarHBondContact OG1-N 3.36Å
776	Q	96.3	Very high	93	Very high	36 Å²	36	37.1 Å²	37.1	17%	0.168	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-19.8	178.6	-69.1	69.6	36.8	0	0	112.6	S754 S755 E756 N758 W772 T773	S754-Q776 VanDerWaalsContact CA-O 3.29Å; S754-Q776 WeakPolarHBondContact CA-O 3.42Å; S754-Q776 VanDerWaalsContact CB-O 3.29Å; S754-Q776 WeakPolarHBondContact CB-O 3.36Å; S755-Q776 PolarHBondContact N-O 2.83Å; S755-Q776 VanDerWaalsContact OG-CA 3.29Å; S755-Q776 WeakPolarHBondContact OG-CA 3.34Å; S755-Q776 PolarHBondContact OG-O 3.46Å; E756-Q776 VanDerWaalsContact O-CG 3.31Å; E756-Q776 WeakPolarHBondContact O-CG 3.41Å; N758-Q776 HydrophobicContact CB-CG 4.24Å; N758-Q776 PolarHBondContact OD1-OE1 3.31Å; N758-Q776 VanDerWaalsContact OD1-OE1 3.05Å; W772-Q776 HydrophobicContact CB-CB 4.21Å; W772-Q776 HydrophobicContact CG-CB 4.48Å; T773-Q776 PolarHBondContact O-N 3.16Å; T773-Q776 PolarHBondContact O-OE1 3.28Å; T773-Q776 PolarHBondContact OG1-OE1 3.15Å
777	L	97.1	Very high	93.3	Very high	16 Å²	16	36.8 Å²	36.8	8%	0.084	19%	0.187	C	C	.	.	S	Bend	trans	-96.3	136.3	-170.4	-62.7	169	0	0	0	111.2	L724 I727 F743 W772 T773	L724-L777 HydrophobicContact CB-CB 4.09Å; L724-L777 HydrophobicContact CB-CD1 3.86Å; L724-L777 HydrophobicContact CB-CG 4.45Å; I727-L777 HydrophobicContact CB-CD1 4.38Å; I727-L777 HydrophobicContact CD1-CD1 4.29Å; I727-L777 HydrophobicContact CD1-CD2 3.95Å; I727-L777 HydrophobicContact CG1-CD1 4.07Å; F743-L777 HydrophobicContact CZ-CD2 4.1Å; W772-L777 HydrophobicContact CB-CD1 4.16Å; W772-L777 HydrophobicContact CB-CD2 3.76Å; W772-L777 HydrophobicContact CB-CG 3.91Å; W772-L777 HydrophobicContact CG-CD2 4.2Å; T773-L777 WeakPolarHBondContact O-CG 3.29Å; T773-L777 PolarHBondContact O-N 3.34Å
778	P	95.9	Very high	93.3	Very high	22 Å²	22	37.5 Å²	37.5	14%	0.143	19%	0.191	C	C	.	.			trans	-74.2	149.7	179.9	32	-35.6	0	0	0	111.2	L724 F743 Q752 L780	L724-P778 WeakPolarHBondContact CD1-O 3.38Å; F743-P778 HydrophobicContact CD2-CG 3.78Å; F743-P778 HydrophobicContact CE2-CG 3.74Å; Q752-P778 HydrophobicContact CB-CB 4.42Å; Q752-P778 HydrophobicContact CB-CG 4.16Å; P778-L780 HydrophobicContact CB-CD2 4.27Å; P778-L780 HydrophobicContact CG-CD2 3.84Å
779	K	94.6	Very high	93.2	Very high	100 Å²	100	39.1 Å²	39.1	44%	0.435	20%	0.197	S	C	.	.			trans	-87.1	111.8	166	-177.1	171	-179.7	165.4	0	108.7	W721 I781	W721-K779 VanDerWaalsContact CB-CE 3.48Å; W721-K779 HydrophobicContact CB-CG 4.48Å; W721-K779 VanDerWaalsContact CD2-NZ 3.27Å; W721-K779 VanDerWaalsContact CE2-NZ 3.31Å; K779-I781 HydrophobicContact CG-CD1 4.41Å
780	L	96	Very high	93.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-83.3	135.8	-176.3	-40.7	172.9	0	0	0	110.1	W721 I722 L724 F743 L748 Q752 P778 L795	W721-L780 WeakPolarHBondContact CA-O 3.36Å; I722-L780 HydrophobicContact CB-CB 4.17Å; I722-L780 HydrophobicContact CB-CD1 4.47Å; I722-L780 HydrophobicContact CG2-CD1 4.4Å; I722-L780 PolarHBondContact N-O 3.42Å; I722-L780 PolarHBondContact O-N 2.86Å; L724-L780 HydrophobicContact CD1-CD1 4.02Å; L724-L780 HydrophobicContact CD1-CG 4.07Å; F743-L780 HydrophobicContact CB-CD1 4.34Å; F743-L780 HydrophobicContact CB-CD2 4.14Å; F743-L780 HydrophobicContact CD1-CD1 4.47Å; F743-L780 HydrophobicContact CG-CD2 4.3Å; L748-L780 HydrophobicContact CD1-CD1 4.38Å; L748-L780 HydrophobicContact CD1-CD2 4.44Å; L748-L780 HydrophobicContact CD2-CB 3.89Å; Q752-L780 HydrophobicContact CB-CD2 3.54Å; Q752-L780 HydrophobicContact CG-CD2 3.68Å; P778-L780 HydrophobicContact CB-CD2 4.27Å; P778-L780 HydrophobicContact CG-CD2 3.84Å; L780-L795 HydrophobicContact CD1-CD1 3.85Å; L780-L795 HydrophobicContact CD1-CD2 4.03Å
781	I	94.3	Very high	92.9	Very high	76 Å²	76	38.2 Å²	38.2	39%	0.39	19%	0.194	S	C	.	.			trans	-113.7	113.1	179.2	-53.9	-58.2	0	0	0	109	W721 K779	W721-I781 HydrophobicContact CB-CD1 3.79Å; K779-I781 HydrophobicContact CG-CD1 4.41Å
782	P	93.4	Very high	92.7	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.006	20%	0.196	C	C	.	.			trans	-69.8	155	178.9	-24.4	36	0	0	0	115.3	R719 A720 I722 C747 A784 L790	R719-P782 PolarHBondContact NH2-O 3.45Å; A720-P782 WeakPolarHBondContact O-CD 3.22Å; I722-P782 HydrophobicContact CD1-CG 4.07Å; I722-P782 HydrophobicContact CG1-CG 4.31Å; C747-P782 CarbonylContact O-C 3.49Å; C747-P782 WeakPolarHBondContact O-CA 3.41Å; P782-A784 VanDerWaalsContact C-N 3.27Å; P782-A784 PolarHBondContact O-N 2.91Å; P782-L790 HydrophobicContact CB-CD2 3.61Å; P782-L790 HydrophobicContact CG-CD2 3.73Å
783	V	90.8	Very high	92.5	Very high	40 Å²	40	39 Å²	39	24%	0.242	20%	0.197	C	C	.	.	S	Bend	trans	-63.6	-26	175.1	-65	0	0	0	0	114.2	C747 E749 Y789	C747-V783 PolarHBondContact O-N 3.47Å; E749-V783 HydrophobicContact CG-CG1 3.65Å; V783-Y789 HydrophobicContact CG2-CE1 3.98Å; V783-Y789 WeakPolarHBondContact CG2-OH 3.48Å
784	A	89.1	Confident	92.5	Very high	4 Å²	4	37.5 Å²	37.5	3%	0.033	19%	0.187	C	C	.	.			trans	-145.4	145.9	-179.9	0	0	0	0	0	110.1	C708 P782 Y789	C708-A784 WeakPolarHBondContact SG-CB 3.48Å; P782-A784 VanDerWaalsContact C-N 3.27Å; P782-A784 PolarHBondContact O-N 2.91Å; A784-Y789 HydrophobicContact CB-CD1 3.92Å; A784-Y789 HydrophobicContact CB-CE1 4.05Å
785	S	90.9	Very high	92.6	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.164	C	C	.	.			trans	-95.8	-2.3	-168.7	-58.2	0	0	0	0	114.9	A720 V847 R851	A720-S785 PolarHBondContact N-OG 3.1Å; A720-S785 VanDerWaalsContact N-OG 3.12Å; S785-V847 VanDerWaalsContact O-CG1 3.3Å; S785-V847 WeakPolarHBondContact O-CG1 3.43Å; S785-R851 WeakPolarHBondContact O-CB 3.37Å
786	D	89.6	Confident	92.7	Very high	52 Å²	52	25.7 Å²	25.7	28%	0.278	13%	0.128	S	C	.	.			trans	-73.9	129.1	-171.4	-57.6	-72.7	0	0	0	113.5	E788 Y789 L790 R851	D786-E788 PolarHBondContact O-N 3.36Å; D786-Y789 PolarHBondContact O-N 2.85Å; D786-L790 WeakPolarHBondContact O-CG 3.3Å; D786-L790 PolarHBondContact O-N 2.95Å; D786-R851 VanDerWaalsContact CG-NH1 3.3Å; D786-R851 WeakPolarHBondContact OD1-CD 3.39Å; D786-R851 IonicContact OD1-CZ 3.87Å; D786-R851 IonicContact OD1-NE 3.92Å; D786-R851 IonicContact OD1-NH1 2.82Å; D786-R851 PolarHBondContact OD1-NH1 3.05Å; D786-R851 IonicContact OD2-NH1 2.72Å; D786-R851 PolarHBondContact OD2-NH1 3.49Å
787	L	89.2	Confident	92.7	Very high	30 Å²	30	24.1 Å²	24.1	16%	0.157	12%	0.12	C	C	.	.	H	α-helix	trans	-57.6	-35.1	-177.2	178.1	58.2	0	0	0	112.8	Q791 M819 V847 R851 R852 T854	L787-Q791 HydrophobicContact CD1-CG 4.19Å; L787-Q791 VanDerWaalsContact O-CB 3.29Å; L787-Q791 WeakPolarHBondContact O-CB 3.26Å; L787-Q791 WeakPolarHBondContact O-CG 3.32Å; L787-Q791 PolarHBondContact O-N 2.95Å; L787-M819 HydrophobicContact CD1-CE 3.5Å; L787-M819 VanDerWaalsContact CD1-CE 3.5Å; L787-V847 HydrophobicContact CB-CG1 4.06Å; L787-V847 HydrophobicContact CD1-CG2 4.2Å; L787-R851 VanDerWaalsContact CB-O 3.28Å; L787-R851 WeakPolarHBondContact CB-O 3.44Å; L787-R851 PolarHBondContact N-O 2.79Å; L787-R852 HydrophobicContact CD2-CB 4Å; L787-R852 HydrophobicContact CD2-CG 4.19Å; L787-T854 HydrophobicContact CB-CG2 4.23Å; L787-T854 HydrophobicContact CD2-CG2 3.97Å; L787-T854 HydrophobicContact CG-CG2 3.82Å
788	E	86.8	Confident	92.7	Very high	42 Å²	42	23.3 Å²	23.3	20%	0.196	12%	0.116	C	C	.	.	H	α-helix	trans	-66.6	-51.5	178.1	-168.9	177.5	132.9	0	0	111.9	D786 L790 Q791 T854 R855	D786-E788 PolarHBondContact O-N 3.36Å; E788-L790 PolarHBondContact O-N 2.84Å; E788-Q791 PolarHBondContact O-N 3.45Å; E788-T854 HydrophobicContact CB-CG2 4.09Å; E788-R855 IonicContact OE1-CZ 2.75Å; E788-R855 IonicContact OE1-NE 3.65Å; E788-R855 PolarHBondContact OE1-NE 3.06Å; E788-R855 IonicContact OE1-NH2 2.86Å; E788-R855 PolarHBondContact OE1-NH2 2.85Å; E788-R855 WeakPolarHBondContact OE2-CG 3.49Å; E788-R855 PolarHBondContact OE2-N 2.9Å; E788-R855 IonicContact OE2-NE 3.46Å
789	Y	89.1	Confident	92.7	Very high	38 Å²	38	22.3 Å²	22.3	15%	0.149	11%	0.11	C	C	.	.	H	α-helix	trans	-56.3	-51.8	176.6	168.1	-105.9	0	0	0	110.7	C708 S746 C747 V783 A784 D786 Q791 D792 Q793	C708-Y789 HydrophobicContact CB-CD2 4.05Å; C708-Y789 HydrophobicContact CB-CE2 3.81Å; S746-Y789 PolarHBondContact O-OH 2.95Å; C747-Y789 VanDerWaalsContact CA-OH 3.29Å; C747-Y789 WeakPolarHBondContact CA-OH 3.29Å; C747-Y789 HydrophobicContact CB-CE1 3.99Å; C747-Y789 WeakPolarHBondContact CB-OH 3.22Å; V783-Y789 HydrophobicContact CG2-CE1 3.98Å; V783-Y789 WeakPolarHBondContact CG2-OH 3.48Å; A784-Y789 HydrophobicContact CB-CD1 3.92Å; A784-Y789 HydrophobicContact CB-CE1 4.05Å; D786-Y789 PolarHBondContact O-N 2.85Å; Y789-Q791 VanDerWaalsContact C-N 3.3Å; Y789-Q791 PolarHBondContact O-N 2.63Å; Y789-D792 PolarHBondContact O-N 2.93Å; Y789-D792 VanDerWaalsContact O-N 3.08Å; Y789-Q793 HydrophobicContact CD1-CG 4.37Å; Y789-Q793 HydrophobicContact CE1-CG 4Å; Y789-Q793 HydrophobicContact CE2-CG 4.25Å; Y789-Q793 VanDerWaalsContact CE2-NE2 3.27Å; Y789-Q793 WeakPolarHBondContact O-CG 3.44Å; Y789-Q793 PolarHBondContact O-NE2 3.4Å; Y789-Q793 PolarHBondContact OH-OE1 3.46Å
790	L	91.3	Very high	92.7	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-62.7	-32.8	-178.8	-66.8	173.4	0	0	0	113.1	A720 P782 D786 E788 D792 Q793 L815 M819 V847	A720-L790 HydrophobicContact CB-CD1 3.67Å; P782-L790 HydrophobicContact CB-CD2 3.61Å; P782-L790 HydrophobicContact CG-CD2 3.73Å; D786-L790 WeakPolarHBondContact O-CG 3.3Å; D786-L790 PolarHBondContact O-N 2.95Å; E788-L790 PolarHBondContact O-N 2.84Å; L790-D792 PolarHBondContact O-N 3.47Å; L790-Q793 PolarHBondContact O-N 3.1Å; L790-L815 WeakPolarHBondContact O-CB 3.3Å; L790-M819 HydrophobicContact CB-CE 4Å; L790-V847 HydrophobicContact CD1-CG2 3.85Å
791	Q	90.3	Very high	92.7	Very high	41 Å²	41	18.9 Å²	18.9	19%	0.192	10%	0.095	C	C	.	.	H	α-helix	trans	-66.5	-16.6	175.8	-91.4	-172.1	57.3	0	0	114.2	L787 E788 Y789 R816 M819	L787-Q791 HydrophobicContact CD1-CG 4.19Å; L787-Q791 VanDerWaalsContact O-CB 3.29Å; L787-Q791 WeakPolarHBondContact O-CB 3.26Å; L787-Q791 WeakPolarHBondContact O-CG 3.32Å; L787-Q791 PolarHBondContact O-N 2.95Å; E788-Q791 PolarHBondContact O-N 3.45Å; Y789-Q791 VanDerWaalsContact C-N 3.3Å; Y789-Q791 PolarHBondContact O-N 2.63Å; Q791-R816 VanDerWaalsContact O-CB 3.3Å; Q791-R816 WeakPolarHBondContact O-CB 3.44Å; Q791-R816 PolarHBondContact O-NH1 3.38Å; Q791-R816 PolarHBondContact O-NH2 3.22Å; Q791-M819 HydrophobicContact CG-CG 3.91Å
792	D	90.4	Very high	92.6	Very high	15 Å²	15	17.2 Å²	17.2	8%	0.08	9%	0.09	C	C	.	.	H	α-helix	trans	-100.3	-7.9	176.5	-62.6	-39.2	0	0	0	113.9	M705 Y789 L790 H794 R816 K857	M705-D792 HydrophobicContact CG-CB 3.62Å; M705-D792 HydrophobicContact SD-CB 3.67Å; Y789-D792 PolarHBondContact O-N 2.93Å; Y789-D792 VanDerWaalsContact O-N 3.08Å; L790-D792 PolarHBondContact O-N 3.47Å; D792-H794 PolarHBondContact O-CE1 3.35Å; D792-H794 PolarHBondContact O-ND1 2.82Å; D792-R816 IonicContact OD1-CZ 3.27Å; D792-R816 IonicContact OD1-NH1 3.87Å; D792-R816 PolarHBondContact OD1-NH1 3.38Å; D792-R816 IonicContact OD1-NH2 2.67Å; D792-R816 PolarHBondContact OD1-NH2 3.18Å; D792-K857 IonicContact OD1-NZ 3.82Å; D792-K857 PolarHBondContact OD1-NZ 3.23Å; D792-K857 IonicContact OD2-NZ 3.47Å; D792-K857 PolarHBondContact OD2-NZ 2.97Å
793	Q	93.6	Very high	92.4	Very high	5 Å²	5	21.9 Å²	21.9	2%	0.023	11%	0.114	C	C	.	.			trans	-81.6	160.5	-177.2	-54.2	-54.2	-66.8	0	0	113.2	M705 S746 C747 Y789 L790 L815	M705-Q793 PolarHBondContact SD-NE2 3.37Å; S746-Q793 PolarHBondContact OG-OE1 2.96Å; C747-Q793 HydrophobicContact CB-CB 4.07Å; C747-Q793 HydrophobicContact CB-CG 3.63Å; Y789-Q793 HydrophobicContact CD1-CG 4.37Å; Y789-Q793 HydrophobicContact CE1-CG 4Å; Y789-Q793 HydrophobicContact CE2-CG 4.25Å; Y789-Q793 VanDerWaalsContact CE2-NE2 3.27Å; Y789-Q793 WeakPolarHBondContact O-CG 3.44Å; Y789-Q793 PolarHBondContact O-NE2 3.4Å; Y789-Q793 PolarHBondContact OH-OE1 3.46Å; L790-Q793 PolarHBondContact O-N 3.1Å; Q793-L815 HydrophobicContact CB-CD1 4.02Å; Q793-L815 HydrophobicContact CB-CG 4.47Å; Q793-L815 WeakPolarHBondContact O-CB 3.41Å; Q793-L815 PolarHBondContact O-N 3.25Å
794	H	95.7	Very high	91.9	Very high	12 Å²	12	22 Å²	22	6%	0.056	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	144.9	179	-58.2	80.6	0	0	0	111	Y672 P673 S745 D792 V813 A814	Y672-H794 HydrophobicContact CD2-CB 3.95Å; Y672-H794 AromaticContact CD2-CG 3.58Å; Y672-H794 AromaticContact CD2-ND1 3.55Å; Y672-H794 HydrophobicContact CE2-CB 4.36Å; P673-H794 PolarHBondContact O-NE2 3.17Å; S745-H794 VanDerWaalsContact CB-O 3.27Å; S745-H794 WeakPolarHBondContact CB-O 3.24Å; S745-H794 PolarHBondContact OG-O 2.91Å; D792-H794 PolarHBondContact O-CE1 3.35Å; D792-H794 PolarHBondContact O-ND1 2.82Å; H794-V813 CarbonylContact C-O 3.21Å; H794-V813 VanDerWaalsContact CA-O 3.29Å; H794-V813 WeakPolarHBondContact CA-O 3.4Å; H794-A814 VanDerWaalsContact CD2-CA 3.44Å; H794-A814 WeakPolarHBondContact CD2-CA 3.3Å
795	L	95.7	Very high	91.9	Very high	4 Å²	4	28.8 Å²	28.8	2%	0.021	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	124.7	166.9	-57.8	179.7	0	0	0	108.9	I722 L780 L797 C812 V813 L815	I722-L795 HydrophobicContact CD1-CD2 4.45Å; I722-L795 HydrophobicContact CG2-CD1 4.5Å; L780-L795 HydrophobicContact CD1-CD1 3.85Å; L780-L795 HydrophobicContact CD1-CD2 4.03Å; L795-L797 HydrophobicContact CB-CD1 3.65Å; L795-C812 WeakPolarHBondContact O-CA 3.35Å; L795-V813 PolarHBondContact N-O 2.99Å; L795-V813 PolarHBondContact O-N 2.99Å; L795-L815 HydrophobicContact CD1-CD2 3.95Å; L795-L815 HydrophobicContact CG-CD2 3.86Å
796	L	96.9	Very high	91.8	Very high	6 Å²	6	33 Å²	33	3%	0.031	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	122.2	166.1	-66.2	174.9	0	0	0	108.2	L565 F568 L572 Y672 H744 C811 C812	L565-L796 HydrophobicContact CD1-CD1 3.84Å; L565-L796 HydrophobicContact CD2-CD1 3.94Å; F568-L796 HydrophobicContact CD1-CB 4.49Å; F568-L796 HydrophobicContact CE1-CB 3.76Å; F568-L796 HydrophobicContact CE2-CB 4.34Å; F568-L796 HydrophobicContact CZ-CB 3.67Å; L572-L796 HydrophobicContact CB-CD2 4.4Å; L572-L796 VanDerWaalsContact O-CD1 3.3Å; L572-L796 WeakPolarHBondContact O-CD1 3.4Å; L572-L796 WeakPolarHBondContact O-CD2 3.34Å; Y672-L796 HydrophobicContact CE1-CD2 4.27Å; H744-L796 HydrophobicContact CB-CB 4.18Å; H744-L796 PolarHBondContact N-O 2.93Å; H744-L796 PolarHBondContact O-N 2.94Å; L796-C811 WeakPolarHBondContact CA-O 3.38Å; L796-C812 HydrophobicContact CD2-CB 3.72Å
797	L	96.8	Very high	91.9	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.01	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	135	179.1	-79.1	65	0	0	0	108.9	I727 I741 E742 F743 L795 E810 C811 V813 F825 I839	I727-L797 HydrophobicContact CD1-CD2 4.44Å; I741-L797 HydrophobicContact CG2-CB 4.19Å; I741-L797 HydrophobicContact CG2-CD2 4.19Å; I741-L797 HydrophobicContact CG2-CG 4.05Å; E742-L797 WeakPolarHBondContact O-CA 3.4Å; F743-L797 HydrophobicContact CD1-CD1 3.99Å; F743-L797 HydrophobicContact CD1-CD2 4.33Å; F743-L797 HydrophobicContact CD1-CG 3.8Å; F743-L797 HydrophobicContact CE1-CD1 4.38Å; F743-L797 HydrophobicContact CE1-CD2 3.91Å; F743-L797 HydrophobicContact CE1-CG 3.87Å; L795-L797 HydrophobicContact CB-CD1 3.65Å; L797-E810 CarbonylContact O-C 3.57Å; L797-E810 VanDerWaalsContact O-CA 3.27Å; L797-E810 WeakPolarHBondContact O-CA 3.32Å; L797-C811 PolarHBondContact N-O 3.48Å; L797-C811 PolarHBondContact O-N 2.99Å; L797-V813 HydrophobicContact CD1-CG2 4.35Å; L797-F825 HydrophobicContact CD2-CZ 4.35Å; L797-I839 HydrophobicContact CD2-CD1 3.87Å
798	S	96.6	Very high	92	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	125	168.3	170.6	0	0	0	0	108.9	I741 E742 K800 S807	I741-S798 WeakPolarHBondContact CA-O 3.2Å; E742-S798 PolarHBondContact N-O 2.91Å; E742-S798 PolarHBondContact O-N 3.37Å; S798-K800 WeakPolarHBondContact OG-CE 3.47Å; S798-S807 WeakPolarHBondContact OG-CB 3.26Å; S798-S807 PolarHBondContact OG-OG 2.98Å
799	V	96.3	Very high	92.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	109	178.9	-178.4	0	0	0	0	108.1	T729 V731 F739 I741 W772 Y808 G809 L829 I839	T729-V799 HydrophobicContact CG2-CG2 4.31Å; V731-V799 HydrophobicContact CG2-CG1 4.29Å; F739-V799 HydrophobicContact CB-CG1 4.5Å; F739-V799 HydrophobicContact CD1-CG1 4.06Å; I741-V799 HydrophobicContact CG1-CG2 4.44Å; W772-V799 HydrophobicContact CH2-CG1 4.18Å; V799-Y808 PolarHBondContact O-N 3.25Å; V799-G809 PolarHBondContact N-O 3.39Å; V799-L829 HydrophobicContact CG2-CD1 4.09Å; V799-L829 HydrophobicContact CG2-CD2 4.1Å; V799-I839 HydrophobicContact CG2-CD1 4.27Å
800	K	94.9	Very high	92.6	Very high	27 Å²	27	28.1 Å²	28.1	12%	0.117	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	146.3	-171.4	-74.9	-178.4	169.5	-179.7	0	112.3	F739 F740 E742 S798 Y805 E806	F739-K800 CarbonylContact C-O 3.46Å; F739-K800 WeakPolarHBondContact CA-O 3.43Å; F739-K800 WeakPolarHBondContact CB-O 3.41Å; F739-K800 WeakPolarHBondContact CD1-O 3.46Å; F740-K800 HydrophobicContact CD1-CB 4.06Å; F740-K800 WeakPolarHBondContact CD1-O 3.32Å; F740-K800 HydrophobicContact CE1-CB 3.51Å; F740-K800 HydrophobicContact CE2-CB 4.05Å; F740-K800 HydrophobicContact CE2-CD 4.29Å; F740-K800 HydrophobicContact CZ-CB 3.5Å; F740-K800 VanDerWaalsContact CZ-CB 3.5Å; F740-K800 HydrophobicContact CZ-CD 3.94Å; F740-K800 HydrophobicContact CZ-CG 4.34Å; F740-K800 PolarHBondContact N-O 3.19Å; F740-K800 PolarHBondContact O-N 3.45Å; E742-K800 HydrophobicContact CG-CD 4.05Å; E742-K800 IonicContact OE1-NZ 3.29Å; E742-K800 WeakPolarHBondContact OE2-CD 3.29Å; E742-K800 VanDerWaalsContact OE2-CE 3.25Å; E742-K800 WeakPolarHBondContact OE2-CE 3.24Å; E742-K800 IonicContact OE2-NZ 2.85Å; E742-K800 PolarHBondContact OE2-NZ 2.81Å; S798-K800 WeakPolarHBondContact OG-CE 3.47Å; K800-Y805 WeakPolarHBondContact CD-O 3.36Å; K800-E806 VanDerWaalsContact CA-O 3.3Å; K800-E806 WeakPolarHBondContact CA-O 3.38Å
801	S	94.3	Very high	92.8	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.007	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	141.7	176.6	62.4	0	0	0	0	111.5	D803 Y805 E806	S801-D803 VanDerWaalsContact C-N 3.3Å; S801-D803 WeakPolarHBondContact CB-OD1 3.21Å; S801-D803 PolarHBondContact O-N 3.42Å; S801-D803 PolarHBondContact OG-OD1 3.08Å; S801-D803 VanDerWaalsContact OG-OD1 3.1Å; S801-Y805 WeakPolarHBondContact O-CA 3.26Å; S801-Y805 PolarHBondContact O-N 2.72Å; S801-E806 PolarHBondContact N-O 3.28Å; S801-E806 VanDerWaalsContact N-O 3.12Å
802	C	93.1	Very high	93	Very high	42 Å²	42	26.8 Å²	26.8	28%	0.284	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-13.2	-176.5	-64.8	0	0	0	0	114.1	K738	K738-C802 VanDerWaalsContact C-SG 3.51Å; K738-C802 HydrophobicContact CB-CB 3.91Å; K738-C802 PolarHBondContact O-N 2.94Å
803	D	88.1	Confident	93.2	Very high	98 Å²	98	26.6 Å²	26.6	52%	0.524	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-42.7	-179.9	53.8	-9.3	0	0	0	112.6	S737 S801	S737-D803 VanDerWaalsContact CB-OD2 3.26Å; S737-D803 WeakPolarHBondContact CB-OD2 3.21Å; S737-D803 PolarHBondContact OG-OD2 3.33Å; S801-D803 VanDerWaalsContact C-N 3.3Å; S801-D803 WeakPolarHBondContact CB-OD1 3.21Å; S801-D803 PolarHBondContact O-N 3.42Å; S801-D803 PolarHBondContact OG-OD1 3.08Å; S801-D803 VanDerWaalsContact OG-OD1 3.1Å
804	G	81.9	Confident	93.3	Very high	44 Å²	44	26.6 Å²	26.6	45%	0.454	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-9.4	-177.9	0	0	0	0	0	115.9	E806	G804-E806 PolarHBondContact O-N 2.91Å
805	Y	87.8	Confident	93.1	Very high	146 Å²	146	26 Å²	26	57%	0.573	14%	0.138	S	C	*	.			trans	57.9	5.5	-172.9	-67	-104.3	0	0	0	114.8	F740 K800 S801	F740-Y805 AromaticContact CE1-CD1 3.9Å; F740-Y805 HydrophobicContact CE1-CD1 3.9Å; F740-Y805 HydrophobicContact CE1-CE1 4.07Å; F740-Y805 AromaticContact CZ-CD1 3.63Å; F740-Y805 HydrophobicContact CZ-CD1 3.63Å; F740-Y805 AromaticContact CZ-CE1 3.94Å; F740-Y805 HydrophobicContact CZ-CE1 3.94Å; K800-Y805 WeakPolarHBondContact CD-O 3.36Å; S801-Y805 WeakPolarHBondContact O-CA 3.26Å; S801-Y805 PolarHBondContact O-N 2.72Å
806	E	88.6	Confident	92.8	Very high	88 Å²	88	27.7 Å²	27.7	41%	0.411	14%	0.144	S	C	.	.			trans	-65	140.8	173.3	-62.7	-167	132.5	0	0	111	K800 S801 G804 Y808	K800-E806 VanDerWaalsContact CA-O 3.3Å; K800-E806 WeakPolarHBondContact CA-O 3.38Å; S801-E806 PolarHBondContact N-O 3.28Å; S801-E806 VanDerWaalsContact N-O 3.12Å; G804-E806 PolarHBondContact O-N 2.91Å; E806-Y808 HydrophobicContact CB-CE2 4.25Å
807	S	91.9	Very high	92	Very high	14 Å²	14	30.8 Å²	30.8	10%	0.098	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	126.3	171.2	-171.5	0	0	0	0	110.2	S798 G809 E810 H831	S798-S807 WeakPolarHBondContact OG-CB 3.26Å; S798-S807 PolarHBondContact OG-OG 2.98Å; S807-G809 PolarHBondContact OG-N 3.11Å; S807-E810 VanDerWaalsContact CB-OE1 3.24Å; S807-E810 WeakPolarHBondContact CB-OE1 3.47Å; S807-E810 PolarHBondContact OG-OE1 3.46Å; S807-H831 PolarHBondContact O-CE1 3.39Å; S807-H831 PolarHBondContact O-ND1 3.12Å
808	Y	92.1	Very high	91.3	Very high	44 Å²	44	30.9 Å²	30.9	17%	0.173	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	2.8	172.4	-81.3	-105.7	0	0	0	112	V731 T733 F739 V799 E806 M836	V731-Y808 HydrophobicContact CG1-CD1 3.88Å; V731-Y808 HydrophobicContact CG1-CG 4.18Å; T733-Y808 VanDerWaalsContact OG1-CE1 3.31Å; T733-Y808 WeakPolarHBondContact OG1-CE1 3.47Å; F739-Y808 HydrophobicContact CE1-CD1 4.32Å; F739-Y808 AromaticContact CE1-CD2 3.67Å; F739-Y808 HydrophobicContact CE1-CD2 3.67Å; F739-Y808 HydrophobicContact CE1-CE2 4.22Å; F739-Y808 AromaticContact CE1-CG 3.72Å; F739-Y808 HydrophobicContact CE1-CG 3.72Å; F739-Y808 HydrophobicContact CZ-CD1 4.48Å; F739-Y808 HydrophobicContact CZ-CD2 4.34Å; F739-Y808 HydrophobicContact CZ-CG 4.31Å; V799-Y808 PolarHBondContact O-N 3.25Å; E806-Y808 HydrophobicContact CB-CE2 4.25Å; Y808-M836 WeakPolarHBondContact O-CB 3.49Å; Y808-M836 WeakPolarHBondContact O-CG 3.39Å
809	G	93.2	Very high	90.5	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.4	133.5	177.4	0	0	0	0	0	113.3	V799 S807	V799-G809 PolarHBondContact N-O 3.39Å; S807-G809 PolarHBondContact OG-N 3.11Å
810	E	95	Very high	89.4	Confident	2 Å²	2	34 Å²	34	1%	0.009	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	148.8	173.5	-56.4	86.7	-110.4	0	0	111.2	F568 L572 L797 S807 T830 H831	F568-E810 HydrophobicContact CD1-CB 3.69Å; F568-E810 HydrophobicContact CD1-CG 3.59Å; F568-E810 HydrophobicContact CE1-CB 3.86Å; F568-E810 HydrophobicContact CE1-CG 3.87Å; F568-E810 HydrophobicContact CG-CG 4.38Å; L572-E810 HydrophobicContact CD1-CB 3.44Å; L572-E810 VanDerWaalsContact CD1-CB 3.44Å; L797-E810 CarbonylContact O-C 3.57Å; L797-E810 VanDerWaalsContact O-CA 3.27Å; L797-E810 WeakPolarHBondContact O-CA 3.32Å; S807-E810 VanDerWaalsContact CB-OE1 3.24Å; S807-E810 WeakPolarHBondContact CB-OE1 3.47Å; S807-E810 PolarHBondContact OG-OE1 3.46Å; E810-T830 PolarHBondContact N-O 3.35Å; E810-T830 PolarHBondContact O-N 2.65Å; E810-T830 PolarHBondContact O-OG1 2.99Å; E810-H831 IonicContact OE1-CE1 3.72Å; E810-H831 IonicContact OE1-CG 3.16Å; E810-H831 IonicContact OE1-ND1 2.68Å; E810-H831 PolarHBondContact OE1-ND1 3.13Å; E810-H831 IonicContact OE2-ND1 3.67Å; E810-H831 PolarHBondContact OE2-ND1 3Å
811	C	95	Very high	88.3	Confident	3 Å²	3	37.8 Å²	37.8	2%	0.02	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	169.3	168.1	74.4	0	0	0	0	112.7	L796 L797 T827 F828 L829 I839	L796-C811 WeakPolarHBondContact CA-O 3.38Å; L797-C811 PolarHBondContact N-O 3.48Å; L797-C811 PolarHBondContact O-N 2.99Å; C811-T827 HydrophobicContact CB-CG2 3.68Å; C811-F828 VanDerWaalsContact CB-O 3.32Å; C811-F828 WeakPolarHBondContact CB-O 2.91Å; C811-L829 HydrophobicContact CB-CD2 4.08Å; C811-I839 HydrophobicContact CB-CG2 4.34Å
812	C	95.3	Very high	87.8	Confident	10 Å²	10	39.1 Å²	39.1	7%	0.068	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	134.8	174.3	-174.7	0	0	0	0	110.5	L572 Y672 L795 L796	L572-C812 HydrophobicContact CD2-CB 4.06Å; Y672-C812 HydrophobicContact CD1-CB 4.47Å; L795-C812 WeakPolarHBondContact O-CA 3.35Å; L796-C812 HydrophobicContact CD2-CB 3.72Å
813	V	95.1	Very high	87.6	Confident	11 Å²	11	41.1 Å²	41.1	7%	0.067	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	123.4	177.5	-177.4	0	0	0	0	108.7	H794 L795 L797 F825 T827	H794-V813 CarbonylContact C-O 3.21Å; H794-V813 VanDerWaalsContact CA-O 3.29Å; H794-V813 WeakPolarHBondContact CA-O 3.4Å; L795-V813 PolarHBondContact N-O 2.99Å; L795-V813 PolarHBondContact O-N 2.99Å; L797-V813 HydrophobicContact CD1-CG2 4.35Å; V813-F825 HydrophobicContact CG1-CB 3.96Å; V813-F825 HydrophobicContact CG1-CD1 4.3Å; V813-F825 HydrophobicContact CG1-CD2 4.15Å; V813-F825 HydrophobicContact CG1-CG 3.89Å; V813-F825 HydrophobicContact CG2-CD2 3.67Å; V813-F825 HydrophobicContact CG2-CE2 3.78Å; V813-F825 HydrophobicContact CG2-CG 4.26Å; V813-F825 HydrophobicContact CG2-CZ 4.44Å; V813-T827 HydrophobicContact CG2-CG2 4.38Å
814	A	94.7	Very high	87.7	Confident	5 Å²	5	43.6 Å²	43.6	4%	0.041	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	137.9	174	0	0	0	0	0	110.7	P673 E674 H794 R816	P673-A814 HydrophobicContact CB-CB 4.25Å; P673-A814 HydrophobicContact CG-CB 4.04Å; E674-A814 HydrophobicContact CB-CB 4.01Å; E674-A814 HydrophobicContact CG-CB 4.16Å; E674-A814 WeakPolarHBondContact OE1-CB 3.25Å; H794-A814 VanDerWaalsContact CD2-CA 3.44Å; H794-A814 WeakPolarHBondContact CD2-CA 3.3Å; A814-R816 VanDerWaalsContact C-N 3.28Å; A814-R816 PolarHBondContact O-N 2.84Å
815	L	92.5	Very high	88.2	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.225	C	C	.	.	S	Bend	trans	-70.2	-28.4	173.6	-67.8	-169.2	0	0	0	112	I722 L790 Q793 L795 S817 V818 M819	I722-L815 HydrophobicContact CD1-CD1 3.68Å; I722-L815 HydrophobicContact CD1-CD2 4.08Å; L790-L815 WeakPolarHBondContact O-CB 3.3Å; Q793-L815 HydrophobicContact CB-CD1 4.02Å; Q793-L815 HydrophobicContact CB-CG 4.47Å; Q793-L815 WeakPolarHBondContact O-CB 3.41Å; Q793-L815 PolarHBondContact O-N 3.25Å; L795-L815 HydrophobicContact CD1-CD2 3.95Å; L795-L815 HydrophobicContact CG-CD2 3.86Å; L815-S817 PolarHBondContact O-N 3.27Å; L815-V818 HydrophobicContact CD2-CG2 4.1Å; L815-V818 CarbonylContact O-C 3.51Å; L815-V818 VanDerWaalsContact O-CG2 3.29Å; L815-V818 WeakPolarHBondContact O-CG2 3.34Å; L815-V818 PolarHBondContact O-N 2.77Å; L815-M819 HydrophobicContact CB-SD 4.17Å; L815-M819 VanDerWaalsContact O-CG 3.28Å; L815-M819 WeakPolarHBondContact O-CG 3.15Å; L815-M819 PolarHBondContact O-N 3.02Å; L815-M819 VanDerWaalsContact O-N 3.09Å
816	R	88.9	Confident	88.3	Confident	39 Å²	39	40.3 Å²	40.3	15%	0.147	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-47.1	-53.6	-173.3	-165.6	-174.9	-58.3	-65.5	1.5	114.4	E674 Q791 D792 A814	E674-R816 HydrophobicContact CB-CB 4.32Å; E674-R816 PolarHBondContact O-NE 3.05Å; E674-R816 WeakPolarHBondContact OE2-CB 3.4Å; Q791-R816 VanDerWaalsContact O-CB 3.3Å; Q791-R816 WeakPolarHBondContact O-CB 3.44Å; Q791-R816 PolarHBondContact O-NH1 3.38Å; Q791-R816 PolarHBondContact O-NH2 3.22Å; D792-R816 IonicContact OD1-CZ 3.27Å; D792-R816 IonicContact OD1-NH1 3.87Å; D792-R816 PolarHBondContact OD1-NH1 3.38Å; D792-R816 IonicContact OD1-NH2 2.67Å; D792-R816 PolarHBondContact OD1-NH2 3.18Å; A814-R816 VanDerWaalsContact C-N 3.28Å; A814-R816 PolarHBondContact O-N 2.84Å
817	S	79.7	Confident	88.5	Confident	71 Å²	71	38.2 Å²	38.2	50%	0.497	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-83.1	-11.6	179.2	-75.6	0	0	0	0	114.9	E674 L815	E674-S817 WeakPolarHBondContact OE1-CB 3.49Å; E674-S817 PolarHBondContact OE1-N 3.4Å; E674-S817 PolarHBondContact OE1-OG 2.74Å; E674-S817 WeakPolarHBondContact OE2-CB 3.42Å; E674-S817 PolarHBondContact OE2-N 3.18Å; E674-S817 PolarHBondContact OE2-OG 2.85Å; L815-S817 PolarHBondContact O-N 3.27Å
818	V	81.6	Confident	88.4	Confident	4 Å²	4	40.7 Å²	40.7	2%	0.024	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-94.2	3.3	172.9	-61.6	0	0	0	0	114.2	L815 G820 Q823 F825 V843 V845	L815-V818 HydrophobicContact CD2-CG2 4.1Å; L815-V818 CarbonylContact O-C 3.51Å; L815-V818 VanDerWaalsContact O-CG2 3.29Å; L815-V818 WeakPolarHBondContact O-CG2 3.34Å; L815-V818 PolarHBondContact O-N 2.77Å; V818-G820 PolarHBondContact O-N 2.95Å; V818-Q823 HydrophobicContact CB-CB 4.04Å; V818-Q823 HydrophobicContact CG1-CB 4.19Å; V818-F825 HydrophobicContact CG1-CB 4.13Å; V818-V843 HydrophobicContact CB-CB 4.11Å; V818-V843 HydrophobicContact CB-CG1 4.26Å; V818-V843 HydrophobicContact CG1-CB 4.42Å; V818-V843 HydrophobicContact CG2-CB 4.32Å; V818-V843 HydrophobicContact CG2-CG1 4.03Å; V818-V845 HydrophobicContact CG2-CG2 4.42Å
819	M	81.3	Confident	88.4	Confident	31 Å²	31	38.6 Å²	38.6	15%	0.153	21%	0.214	C	C	.	.			trans	-63.1	133.4	175.1	-61.8	-50.1	-84.4	0	0	112.1	L787 L790 Q791 L815 V845 V847	L787-M819 HydrophobicContact CD1-CE 3.5Å; L787-M819 VanDerWaalsContact CD1-CE 3.5Å; L790-M819 HydrophobicContact CB-CE 4Å; Q791-M819 HydrophobicContact CG-CG 3.91Å; L815-M819 HydrophobicContact CB-SD 4.17Å; L815-M819 VanDerWaalsContact O-CG 3.28Å; L815-M819 WeakPolarHBondContact O-CG 3.15Å; L815-M819 PolarHBondContact O-N 3.02Å; L815-M819 VanDerWaalsContact O-N 3.09Å; M819-V845 HydrophobicContact CE-CB 4.18Å; M819-V845 HydrophobicContact CE-CG1 3.64Å; M819-V845 HydrophobicContact SD-CB 3.81Å; M819-V845 HydrophobicContact SD-CG1 3.73Å; M819-V845 HydrophobicContact SD-CG2 3.9Å; M819-V847 HydrophobicContact CE-CG2 3.93Å
820	G	71.9	Confident	88.3	Confident	35 Å²	35	39.1 Å²	39.1	36%	0.361	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	108.2	-156.8	178.4	0	0	0	0	0	113.8	V818 S822 V845	V818-G820 PolarHBondContact O-N 2.95Å; G820-S822 PolarHBondContact O-N 3.29Å; G820-V845 PolarHBondContact O-N 2.72Å
821	S	72.3	Confident	88	Confident	105 Å²	105	40.7 Å²	40.7	73%	0.734	22%	0.224	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-84.7	104.4	-172.3	54.4	0	0	0	0	112.6
822	S	83.6	Confident	87.5	Confident	29 Å²	29	45.3 Å²	45.3	20%	0.203	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	56.4	60	166.1	-163.8	0	0	0	0	114.4	E725 G820 R842 V843	E725-S822 WeakPolarHBondContact OE1-CB 3.09Å; E725-S822 PolarHBondContact OE1-OG 3.06Å; E725-S822 PolarHBondContact OE2-OG 3.05Å; G820-S822 PolarHBondContact O-N 3.29Å; S822-R842 PolarHBondContact O-NH1 3.3Å; S822-R842 VanDerWaalsContact OG-CD 3.24Å; S822-R842 WeakPolarHBondContact OG-CD 3.36Å; S822-R842 WeakPolarHBondContact OG-CG 3.5Å; S822-R842 PolarHBondContact OG-NH1 2.96Å; S822-V843 CarbonylContact C-O 3.58Å; S822-V843 WeakPolarHBondContact CA-O 3.44Å
823	Q	89.6	Confident	86.6	Confident	84 Å²	84	45.6 Å²	45.6	39%	0.393	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	161.7	174.6	-65.2	-64.5	0.7	0	0	111.8	V818 R842 V843	V818-Q823 HydrophobicContact CB-CB 4.04Å; V818-Q823 HydrophobicContact CG1-CB 4.19Å; Q823-R842 CarbonylContact O-C 3.54Å; Q823-R842 VanDerWaalsContact O-CA 3.27Å; Q823-R842 WeakPolarHBondContact O-CA 3.45Å; Q823-V843 PolarHBondContact N-O 3.04Å; Q823-V843 PolarHBondContact O-N 3.43Å
824	K	90.2	Very high	86	Confident	150 Å²	150	50.2 Å²	50.2	65%	0.652	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.5	147.6	174.1	-70.2	-169.8	174.8	-168.4	0	112	G841	K824-G841 CarbonylContact C-O 3.58Å; K824-G841 VanDerWaalsContact CA-O 3.28Å; K824-G841 WeakPolarHBondContact CA-O 3.32Å
825	F	91.9	Very high	85.7	Confident	22 Å²	22	51.3 Å²	51.3	10%	0.096	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	155.3	164	74	-90.5	0	0	0	110.7	I727 L797 V813 V818 I839 R840 G841 V843	I727-F825 HydrophobicContact CD1-CZ 4.41Å; I727-F825 HydrophobicContact CG1-CZ 4.34Å; L797-F825 HydrophobicContact CD2-CZ 4.35Å; V813-F825 HydrophobicContact CG1-CB 3.96Å; V813-F825 HydrophobicContact CG1-CD1 4.3Å; V813-F825 HydrophobicContact CG1-CD2 4.15Å; V813-F825 HydrophobicContact CG1-CG 3.89Å; V813-F825 HydrophobicContact CG2-CD2 3.67Å; V813-F825 HydrophobicContact CG2-CE2 3.78Å; V813-F825 HydrophobicContact CG2-CG 4.26Å; V813-F825 HydrophobicContact CG2-CZ 4.44Å; V818-F825 HydrophobicContact CG1-CB 4.13Å; F825-I839 HydrophobicContact CE2-CG1 4.25Å; F825-R840 CarbonylContact O-C 3.54Å; F825-R840 VanDerWaalsContact O-CA 3.26Å; F825-R840 WeakPolarHBondContact O-CA 3.36Å; F825-G841 VanDerWaalsContact CE1-CA 3.48Å; F825-G841 PolarHBondContact N-O 2.6Å; F825-G841 PolarHBondContact O-N 3.12Å; F825-V843 HydrophobicContact CD1-CG2 3.75Å; F825-V843 HydrophobicContact CE1-CG2 3.68Å
826	E	91	Very high	85.5	Confident	100 Å²	100	52.6 Å²	52.6	47%	0.467	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	133.8	172.8	-178.7	173.8	-178.4	0	0	108.4	I839 R840	E826-I839 WeakPolarHBondContact CA-O 3.42Å; E826-R840 HydrophobicContact CB-CB 4.19Å; E826-R840 HydrophobicContact CG-CB 4.19Å
827	T	91	Very high	85.5	Confident	44 Å²	44	50.7 Å²	50.7	27%	0.27	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	168.7	-179.9	-169.1	0	0	0	0	111.8	C811 V813 S838 I839	C811-T827 HydrophobicContact CB-CG2 3.68Å; V813-T827 HydrophobicContact CG2-CG2 4.38Å; T827-S838 WeakPolarHBondContact O-CA 3.18Å; T827-I839 HydrophobicContact CG2-CG2 3.62Å; T827-I839 PolarHBondContact N-O 2.96Å; T827-I839 PolarHBondContact O-N 3.01Å
828	F	90.5	Very high	86.1	Confident	66 Å²	66	47.7 Å²	47.7	29%	0.289	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	144.8	177.4	-62.4	-80.8	0	0	0	111.2	C811 Y900	C811-F828 VanDerWaalsContact CB-O 3.32Å; C811-F828 WeakPolarHBondContact CB-O 2.91Å; F828-Y900 HydrophobicContact CE1-CE1 4.48Å; F828-Y900 HydrophobicContact CZ-CE1 4.28Å
829	L	92.1	Very high	86.7	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	130.9	166.6	-69.8	-178.2	0	0	0	109.8	T729 V731 V799 C811 M836 G837 I839	T729-L829 HydrophobicContact CG2-CD1 3.48Å; T729-L829 VanDerWaalsContact CG2-CD1 3.48Å; V731-L829 HydrophobicContact CG2-CD1 4.23Å; V799-L829 HydrophobicContact CG2-CD1 4.09Å; V799-L829 HydrophobicContact CG2-CD2 4.1Å; C811-L829 HydrophobicContact CB-CD2 4.08Å; L829-M836 PolarHBondContact O-N 3.42Å; L829-G837 PolarHBondContact N-O 2.85Å; L829-G837 PolarHBondContact O-N 3.21Å; L829-I839 HydrophobicContact CD2-CB 4.14Å; L829-I839 HydrophobicContact CD2-CG2 3.68Å; L829-I839 HydrophobicContact CG-CB 4.22Å; L829-I839 HydrophobicContact CG-CG2 4.05Å
830	T	91.2	Very high	87.3	Confident	10 Å²	10	49.6 Å²	49.6	6%	0.061	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	144.1	172.9	50.5	0	0	0	0	110.9	F623 E810 E834	F623-T830 HydrophobicContact CD1-CG2 3.67Å; F623-T830 HydrophobicContact CE1-CG2 3.59Å; E810-T830 PolarHBondContact N-O 3.35Å; E810-T830 PolarHBondContact O-N 2.65Å; E810-T830 PolarHBondContact O-OG1 2.99Å; T830-E834 CarbonylContact C-O 3.54Å; T830-E834 WeakPolarHBondContact CA-O 3.41Å; T830-E834 WeakPolarHBondContact CB-O 3.42Å
831	H	89.8	Confident	88.3	Confident	35 Å²	35	48.4 Å²	48.4	16%	0.162	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	130.5	169.3	-173.6	64.8	0	0	0	109.5	S807 E810 G833 E834 M836	S807-H831 PolarHBondContact O-CE1 3.39Å; S807-H831 PolarHBondContact O-ND1 3.12Å; E810-H831 IonicContact OE1-CE1 3.72Å; E810-H831 IonicContact OE1-CG 3.16Å; E810-H831 IonicContact OE1-ND1 2.68Å; E810-H831 PolarHBondContact OE1-ND1 3.13Å; E810-H831 IonicContact OE2-ND1 3.67Å; E810-H831 PolarHBondContact OE2-ND1 3Å; H831-G833 PolarHBondContact O-N 3.38Å; H831-G833 VanDerWaalsContact O-N 3.08Å; H831-E834 PolarHBondContact N-O 3.1Å; H831-E834 PolarHBondContact O-N 3.34Å; H831-M836 HydrophobicContact CB-CG 3.51Å; H831-M836 HydrophobicContact CB-SD 4.46Å
832	R	82.8	Confident	89.3	Confident	100 Å²	100	46.9 Å²	46.9	38%	0.377	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	53	32.1	176.9	-65.9	171.1	179.9	176	4.9	113.4	R556	R556-R832 HydrophobicContact CG-CB 4.02Å; R556-R832 HydrophobicContact CG-CG 4.1Å
833	G	76.8	Confident	89.8	Confident	16 Å²	16	45.6 Å²	45.6	17%	0.165	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.7	-8	-175.1	0	0	0	0	0	117.3	D569 H831	D569-G833 PolarHBondContact OD2-N 3.24Å; H831-G833 PolarHBondContact O-N 3.38Å; H831-G833 VanDerWaalsContact O-N 3.08Å
834	E	83.4	Confident	89.9	Confident	109 Å²	109	45.8 Å²	45.8	51%	0.509	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	153.8	172.3	-67.8	-155.7	176	0	0	112.3	K732 T830 H831	K732-E834 IonicContact NZ-OE2 2.74Å; K732-E834 PolarHBondContact NZ-OE2 3.48Å; T830-E834 CarbonylContact C-O 3.54Å; T830-E834 WeakPolarHBondContact CA-O 3.41Å; T830-E834 WeakPolarHBondContact CB-O 3.42Å; H831-E834 PolarHBondContact N-O 3.1Å; H831-E834 PolarHBondContact O-N 3.34Å
835	E	87	Confident	89.9	Confident	27 Å²	27	39.1 Å²	39.1	13%	0.126	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	116.6	169.3	-172.6	-171	156	0	0	110.1	R619 F623 N902	R619-E835 VanDerWaalsContact CD-OE2 3.3Å; R619-E835 WeakPolarHBondContact CD-OE2 3.35Å; R619-E835 IonicContact CZ-OE2 3.22Å; R619-E835 IonicContact NE-OE2 3.71Å; R619-E835 IonicContact NH1-OE1 2.7Å; R619-E835 IonicContact NH1-OE2 2.68Å; R619-E835 PolarHBondContact NH1-OE2 3.05Å; F623-E835 HydrophobicContact CE1-CB 3.97Å; F623-E835 HydrophobicContact CE1-CG 4.2Å; F623-E835 HydrophobicContact CZ-CB 4.35Å; F623-E835 HydrophobicContact CZ-CG 4.32Å; E835-N902 WeakPolarHBondContact OE1-CB 3.11Å; E835-N902 PolarHBondContact OE1-ND2 2.99Å
836	M	89.2	Confident	89.9	Confident	27 Å²	27	40.1 Å²	40.1	13%	0.133	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	-13.6	-176.8	-66.2	-57.9	-69.1	0	0	113.7	K732 Y808 L829 H831	K732-M836 WeakPolarHBondContact CB-O 3.26Å; K732-M836 PolarHBondContact N-O 3.33Å; Y808-M836 WeakPolarHBondContact O-CB 3.49Å; Y808-M836 WeakPolarHBondContact O-CG 3.39Å; L829-M836 PolarHBondContact O-N 3.42Å; H831-M836 HydrophobicContact CB-CG 3.51Å; H831-M836 HydrophobicContact CB-SD 4.46Å
837	G	89.8	Confident	90	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	154.6	-148.7	-177.9	0	0	0	0	0	113.4	I730 L829	I730-G837 WeakPolarHBondContact O-CA 3.23Å; L829-G837 PolarHBondContact N-O 2.85Å; L829-G837 PolarHBondContact O-N 3.21Å
838	S	91.5	Very high	89.9	Confident	7 Å²	7	33.5 Å²	33.5	5%	0.049	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	144.6	-173.5	48.4	0	0	0	0	111.4	I730 T827 F908	I730-S838 PolarHBondContact N-O 3.13Å; I730-S838 PolarHBondContact O-N 2.93Å; T827-S838 WeakPolarHBondContact O-CA 3.18Å; S838-F908 WeakPolarHBondContact OG-CE2 3.47Å
839	I	94	Very high	89.7	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	135.1	-178.6	-178.2	169.5	0	0	0	109.5	I727 T729 L797 V799 C811 F825 E826 T827 L829	I727-I839 HydrophobicContact CG2-CD1 3.86Å; I727-I839 HydrophobicContact CG2-CG1 3.86Å; T729-I839 HydrophobicContact CG2-CB 4.24Å; T729-I839 WeakPolarHBondContact OG1-CG1 3.09Å; L797-I839 HydrophobicContact CD2-CD1 3.87Å; V799-I839 HydrophobicContact CG2-CD1 4.27Å; C811-I839 HydrophobicContact CB-CG2 4.34Å; F825-I839 HydrophobicContact CE2-CG1 4.25Å; E826-I839 WeakPolarHBondContact CA-O 3.42Å; T827-I839 HydrophobicContact CG2-CG2 3.62Å; T827-I839 PolarHBondContact N-O 2.96Å; T827-I839 PolarHBondContact O-N 3.01Å; L829-I839 HydrophobicContact CD2-CB 4.14Å; L829-I839 HydrophobicContact CD2-CG2 3.68Å; L829-I839 HydrophobicContact CG-CB 4.22Å; L829-I839 HydrophobicContact CG-CG2 4.05Å
840	R	94.2	Very high	89.3	Confident	76 Å²	76	44 Å²	44	29%	0.287	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	148.5	175.6	69.8	-172.9	-168.6	-175.6	2.1	109.4	I727 D728 F825 E826 F908	I727-R840 WeakPolarHBondContact CA-O 3.35Å; D728-R840 HydrophobicContact CB-CG 3.51Å; D728-R840 PolarHBondContact N-O 3.37Å; D728-R840 PolarHBondContact O-N 2.88Å; D728-R840 IonicContact OD2-CZ 3.53Å; D728-R840 VanDerWaalsContact OD2-CZ 3.22Å; D728-R840 IonicContact OD2-NE 3.8Å; D728-R840 PolarHBondContact OD2-NE 3.39Å; D728-R840 IonicContact OD2-NH2 2.75Å; D728-R840 PolarHBondContact OD2-NH2 2.74Å; F825-R840 CarbonylContact O-C 3.54Å; F825-R840 VanDerWaalsContact O-CA 3.26Å; F825-R840 WeakPolarHBondContact O-CA 3.36Å; E826-R840 HydrophobicContact CB-CB 4.19Å; E826-R840 HydrophobicContact CG-CB 4.19Å; R840-F908 HydrophobicContact CG-CE1 4.23Å; R840-F908 HydrophobicContact CG-CE2 4.32Å; R840-F908 HydrophobicContact CG-CZ 3.91Å
841	G	93.4	Very high	88.9	Confident	9 Å²	9	46 Å²	46	9%	0.093	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	176.9	-179.1	0	0	0	0	0	113.7	E726 K824 F825	E726-G841 CarbonylContact O-C 3.16Å; E726-G841 WeakPolarHBondContact O-CA 3.41Å; K824-G841 CarbonylContact C-O 3.58Å; K824-G841 VanDerWaalsContact CA-O 3.28Å; K824-G841 WeakPolarHBondContact CA-O 3.32Å; F825-G841 VanDerWaalsContact CE1-CA 3.48Å; F825-G841 PolarHBondContact N-O 2.6Å; F825-G841 PolarHBondContact O-N 3.12Å
842	R	93.3	Very high	88.6	Confident	73 Å²	73	50.4 Å²	50.4	28%	0.275	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	124.1	-176.1	-178.5	-180	-79.6	-79.3	12.1	109.5	E725 E726 S822 Q823	E725-R842 HydrophobicContact CB-CB 4.17Å; E725-R842 HydrophobicContact CB-CG 3.91Å; E725-R842 HydrophobicContact CG-CG 4.24Å; E725-R842 PolarHBondContact N-O 3.29Å; E725-R842 WeakPolarHBondContact OE2-CD 3.43Å; E726-R842 HydrophobicContact CB-CB 4.4Å; E726-R842 PolarHBondContact O-N 3.01Å; S822-R842 PolarHBondContact O-NH1 3.3Å; S822-R842 VanDerWaalsContact OG-CD 3.24Å; S822-R842 WeakPolarHBondContact OG-CD 3.36Å; S822-R842 WeakPolarHBondContact OG-CG 3.5Å; S822-R842 PolarHBondContact OG-NH1 2.96Å; Q823-R842 CarbonylContact O-C 3.54Å; Q823-R842 VanDerWaalsContact O-CA 3.27Å; Q823-R842 WeakPolarHBondContact O-CA 3.45Å
843	V	92.9	Very high	88.4	Confident	2 Å²	2	48 Å²	48	1%	0.012	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	140.8	-172.3	177.5	0	0	0	0	110.2	I722 E723 L724 V818 S822 Q823 F825 V845	I722-V843 HydrophobicContact CG2-CG1 3.64Å; E723-V843 WeakPolarHBondContact O-CA 3.36Å; L724-V843 HydrophobicContact CD2-CG2 3.94Å; L724-V843 HydrophobicContact CG-CG2 4.23Å; V818-V843 HydrophobicContact CB-CB 4.11Å; V818-V843 HydrophobicContact CB-CG1 4.26Å; V818-V843 HydrophobicContact CG1-CB 4.42Å; V818-V843 HydrophobicContact CG2-CB 4.32Å; V818-V843 HydrophobicContact CG2-CG1 4.03Å; S822-V843 CarbonylContact C-O 3.58Å; S822-V843 WeakPolarHBondContact CA-O 3.44Å; Q823-V843 PolarHBondContact N-O 3.04Å; Q823-V843 PolarHBondContact O-N 3.43Å; F825-V843 HydrophobicContact CD1-CG2 3.75Å; F825-V843 HydrophobicContact CE1-CG2 3.68Å; V843-V845 HydrophobicContact CG1-CG2 4Å
844	R	91.3	Very high	88.4	Confident	89 Å²	89	50.8 Å²	50.8	34%	0.336	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	121.4	175.3	-176.6	-169.1	-53.8	167.4	-6.1	108.4	W721 E723 E725	W721-R844 HydrophobicContact CZ3-CG 4.21Å; E723-R844 HydrophobicContact CB-CB 4.38Å; E723-R844 PolarHBondContact N-O 2.7Å; E723-R844 PolarHBondContact O-N 2.91Å; E723-R844 IonicContact OE1-NH1 3.58Å; E723-R844 VanDerWaalsContact OE2-CD 3.3Å; E723-R844 WeakPolarHBondContact OE2-CD 3.3Å; E723-R844 IonicContact OE2-CZ 3.63Å; E723-R844 VanDerWaalsContact OE2-CZ 3.27Å; E723-R844 IonicContact OE2-NE 2.8Å; E723-R844 PolarHBondContact OE2-NE 3.43Å; E723-R844 IonicContact OE2-NH1 3.25Å; E723-R844 PolarHBondContact OE2-NH1 3.11Å; E725-R844 WeakPolarHBondContact OE1-CB 3.44Å; E725-R844 IonicContact OE1-CZ 3.64Å; E725-R844 IonicContact OE1-NE 3.79Å; E725-R844 PolarHBondContact OE1-NE 3.34Å; E725-R844 IonicContact OE1-NH2 3.22Å; E725-R844 PolarHBondContact OE1-NH2 3.49Å; E725-R844 IonicContact OE2-NH2 2.82Å
845	V	91.9	Very high	88.3	Confident	9 Å²	9	49.2 Å²	49.2	6%	0.055	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	120.7	177.6	-168.2	0	0	0	0	109.5	I722 V818 M819 G820 V843	I722-V845 HydrophobicContact CG1-CG1 4.06Å; I722-V845 HydrophobicContact CG1-CG2 4.28Å; I722-V845 HydrophobicContact CG2-CG2 4.32Å; V818-V845 HydrophobicContact CG2-CG2 4.42Å; M819-V845 HydrophobicContact CE-CB 4.18Å; M819-V845 HydrophobicContact CE-CG1 3.64Å; M819-V845 HydrophobicContact SD-CB 3.81Å; M819-V845 HydrophobicContact SD-CG1 3.73Å; M819-V845 HydrophobicContact SD-CG2 3.9Å; G820-V845 PolarHBondContact O-N 2.72Å; V843-V845 HydrophobicContact CG1-CG2 4Å
846	H	91.9	Very high	87.6	Confident	43 Å²	43	53.8 Å²	53.8	20%	0.199	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	139.3	174.3	178.5	70.7	0	0	0	110.8	E718 A720 W721	E718-H846 IonicContact OE1-CD2 2.69Å; E718-H846 IonicContact OE1-CE1 2.86Å; E718-H846 IonicContact OE1-NE2 3.27Å; E718-H846 PolarHBondContact OE1-NE2 3.19Å; A720-H846 VanDerWaalsContact CA-O 3.31Å; A720-H846 WeakPolarHBondContact CA-O 3.44Å; A720-H846 WeakPolarHBondContact CB-O 3.45Å; W721-H846 AromaticContact CD1-CD2 3.75Å; W721-H846 HydrophobicContact CD2-CB 3.53Å; W721-H846 AromaticContact CE2-CD2 3.75Å; W721-H846 AromaticContact CE2-CG 3.68Å; W721-H846 HydrophobicContact CE3-CB 3.89Å; W721-H846 HydrophobicContact CG-CB 4.12Å; W721-H846 HydrophobicContact CH2-CB 3.88Å; W721-H846 HydrophobicContact CZ2-CB 3.5Å; W721-H846 VanDerWaalsContact CZ2-CB 3.5Å; W721-H846 AromaticContact CZ2-CG 3.85Å; W721-H846 HydrophobicContact CZ3-CB 4.04Å; W721-H846 PolarHBondContact N-O 3.25Å; W721-H846 VanDerWaalsContact N-O 3.1Å; W721-H846 AromaticContact NE1-CD2 3.23Å; W721-H846 PolarHBondContact NE1-CD2 3.1Å; W721-H846 AromaticContact NE1-CG 3.67Å; W721-H846 PolarHBondContact O-N 2.98Å
847	V	91.2	Very high	87.2	Confident	6 Å²	6	53 Å²	53	4%	0.036	25%	0.248	C	C	.	.			trans	-135.1	131.5	176.8	177	0	0	0	0	108.8	S785 L787 L790 M819 R851 R852	S785-V847 VanDerWaalsContact O-CG1 3.3Å; S785-V847 WeakPolarHBondContact O-CG1 3.43Å; L787-V847 HydrophobicContact CB-CG1 4.06Å; L787-V847 HydrophobicContact CD1-CG2 4.2Å; L790-V847 HydrophobicContact CD1-CG2 3.85Å; M819-V847 HydrophobicContact CE-CG2 3.93Å; V847-R851 HydrophobicContact CG1-CB 4.06Å; V847-R852 HydrophobicContact CB-CG 4.37Å; V847-R852 HydrophobicContact CG1-CG 3.98Å; V847-R852 PolarHBondContact O-NE 3.42Å; V847-R852 PolarHBondContact O-NH2 2.93Å
848	P	89.8	Confident	86.8	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	25%	0.252	C	S	.	.			trans	-52.6	147.8	175.2	-25.5	33.5	0	0	0	112.4	E718 D850 R851 R852	E718-P848 HydrophobicContact CB-CB 4.44Å; E718-P848 HydrophobicContact CB-CG 4.23Å; E718-P848 HydrophobicContact CG-CG 4.27Å; E718-P848 WeakPolarHBondContact O-CG 3.36Å; P848-D850 WeakPolarHBondContact CB-OD1 3.39Å; P848-D850 PolarHBondContact O-N 2.89Å; P848-R851 HydrophobicContact CB-CB 4.24Å; P848-R851 HydrophobicContact CB-CG 4.13Å; P848-R851 HydrophobicContact CG-CG 4.37Å; P848-R851 PolarHBondContact O-N 3.02Å; P848-R851 VanDerWaalsContact O-N 3.15Å; P848-R852 WeakPolarHBondContact O-CG 3.46Å
849	K	85.6	Confident	86.2	Confident	179 Å²	179	54.6 Å²	54.6	78%	0.778	25%	0.254	S	S	*	.	S	Bend	trans	-65.9	-36.1	-168.8	-70.9	178.8	-176.8	170.2	0	113.6
850	D	84.6	Confident	85.6	Confident	108 Å²	108	57.4 Å²	57.4	58%	0.578	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-64.6	-40	172.8	58.6	-53.6	0	0	0	111.9	P848 R852	P848-D850 WeakPolarHBondContact CB-OD1 3.39Å; P848-D850 PolarHBondContact O-N 2.89Å; D850-R852 PolarHBondContact O-N 2.89Å
851	R	82.7	Confident	84.8	Confident	51 Å²	51	54 Å²	54	19%	0.192	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-79.8	13.4	179.7	-57	-44.4	-165.7	93.5	10.4	114.9	D712 S785 D786 L787 V847 P848 G853	D712-R851 IonicContact OD1-CZ 3.53Å; D712-R851 IonicContact OD1-NH1 3.78Å; D712-R851 IonicContact OD1-NH2 3.11Å; D712-R851 PolarHBondContact OD1-NH2 2.83Å; D712-R851 IonicContact OD2-NH1 3.52Å; D712-R851 IonicContact OD2-NH2 2.77Å; S785-R851 WeakPolarHBondContact O-CB 3.37Å; D786-R851 VanDerWaalsContact CG-NH1 3.3Å; D786-R851 WeakPolarHBondContact OD1-CD 3.39Å; D786-R851 IonicContact OD1-CZ 3.87Å; D786-R851 IonicContact OD1-NE 3.92Å; D786-R851 IonicContact OD1-NH1 2.82Å; D786-R851 PolarHBondContact OD1-NH1 3.05Å; D786-R851 IonicContact OD2-NH1 2.72Å; D786-R851 PolarHBondContact OD2-NH1 3.49Å; L787-R851 VanDerWaalsContact CB-O 3.28Å; L787-R851 WeakPolarHBondContact CB-O 3.44Å; L787-R851 PolarHBondContact N-O 2.79Å; V847-R851 HydrophobicContact CG1-CB 4.06Å; P848-R851 HydrophobicContact CB-CB 4.24Å; P848-R851 HydrophobicContact CB-CG 4.13Å; P848-R851 HydrophobicContact CG-CG 4.37Å; P848-R851 PolarHBondContact O-N 3.02Å; P848-R851 VanDerWaalsContact O-N 3.15Å; R851-G853 VanDerWaalsContact C-N 3.3Å; R851-G853 PolarHBondContact O-N 3.46Å
852	R	83.1	Confident	84	Confident	127 Å²	127	55.4 Å²	55.4	48%	0.479	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-88	13.5	176.1	-67.9	173.1	-166.9	-152.2	0.4	114.3	L787 V847 P848 D850	L787-R852 HydrophobicContact CD2-CB 4Å; L787-R852 HydrophobicContact CD2-CG 4.19Å; V847-R852 HydrophobicContact CB-CG 4.37Å; V847-R852 HydrophobicContact CG1-CG 3.98Å; V847-R852 PolarHBondContact O-NE 3.42Å; V847-R852 PolarHBondContact O-NH2 2.93Å; P848-R852 WeakPolarHBondContact O-CG 3.46Å; D850-R852 PolarHBondContact O-N 2.89Å
853	G	79.1	Confident	83.2	Confident	50 Å²	50	53.7 Å²	53.7	52%	0.515	26%	0.259	S	S	.	.			trans	-61.5	140.4	167.3	0	0	0	0	0	111.6	R851	R851-G853 VanDerWaalsContact C-N 3.3Å; R851-G853 PolarHBondContact O-N 3.46Å
854	T	76.9	Confident	82.4	Confident	75 Å²	75	59.7 Å²	59.7	46%	0.46	29%	0.285	S	S	.	.			trans	-147.1	128.2	168.8	47.1	0	0	0	0	108.5	L787 E788	L787-T854 HydrophobicContact CB-CG2 4.23Å; L787-T854 HydrophobicContact CD2-CG2 3.97Å; L787-T854 HydrophobicContact CG-CG2 3.82Å; E788-T854 HydrophobicContact CB-CG2 4.09Å
855	R	80.3	Confident	81.6	Confident	75 Å²	75	58.6 Å²	58.6	28%	0.283	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-80.4	155.5	167.2	75.9	-157.6	160.2	94	18.2	110	L393 D397 S706 E788	L393-R855 VanDerWaalsContact CD1-NH1 3.32Å; D397-R855 IonicContact OD1-CZ 2.74Å; D397-R855 IonicContact OD1-NH1 3.42Å; D397-R855 PolarHBondContact OD1-NH1 2.95Å; D397-R855 IonicContact OD1-NH2 3.39Å; D397-R855 PolarHBondContact OD1-NH2 3.13Å; D397-R855 IonicContact OD2-NH1 3.53Å; S706-R855 PolarHBondContact OG-NH2 3.37Å; E788-R855 IonicContact OE1-CZ 2.75Å; E788-R855 IonicContact OE1-NE 3.65Å; E788-R855 PolarHBondContact OE1-NE 3.06Å; E788-R855 IonicContact OE1-NH2 2.86Å; E788-R855 PolarHBondContact OE1-NH2 2.85Å; E788-R855 WeakPolarHBondContact OE2-CG 3.49Å; E788-R855 PolarHBondContact OE2-N 2.9Å; E788-R855 IonicContact OE2-NE 3.46Å
856	K	73.8	Confident	79.5	Confident	123 Å²	123	65.6 Å²	65.6	54%	0.535	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-81.5	122.5	172.7	179.2	175	177.8	168.2	0	108.6	L342 D860	L342-K856 PolarHBondContact O-NZ 3.49Å; K856-D860 HydrophobicContact CD-CB 4.47Å; K856-D860 WeakPolarHBondContact CE-O 3.27Å; K856-D860 HydrophobicContact CG-CB 3.87Å; K856-D860 PolarHBondContact NZ-O 2.9Å
857	K	80.9	Confident	77.3	Confident	12 Å²	12	67.1 Å²	67.1	5%	0.052	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-73.1	153.6	-179.8	-61.2	-169.2	171.7	-168.4	0	111.5	D397 D792 Y859 D860	D397-K857 VanDerWaalsContact OD2-CA 3.29Å; D397-K857 WeakPolarHBondContact OD2-CA 3.3Å; D792-K857 IonicContact OD1-NZ 3.82Å; D792-K857 PolarHBondContact OD1-NZ 3.23Å; D792-K857 IonicContact OD2-NZ 3.47Å; D792-K857 PolarHBondContact OD2-NZ 2.97Å; K857-Y859 HydrophobicContact CB-CD1 4.49Å; K857-Y859 HydrophobicContact CB-CD2 4.37Å; K857-Y859 HydrophobicContact CB-CE1 4.25Å; K857-Y859 HydrophobicContact CB-CE2 4.12Å; K857-Y859 HydrophobicContact CD-CE1 4.1Å; K857-Y859 HydrophobicContact CD-CE2 4.05Å; K857-Y859 WeakPolarHBondContact CD-OH 3.34Å; K857-Y859 PolarHBondContact O-N 3.4Å; K857-D860 WeakPolarHBondContact CB-OD2 3.31Å; K857-D860 PolarHBondContact N-OD2 3.1Å; K857-D860 VanDerWaalsContact N-OD2 3.13Å; K857-D860 WeakPolarHBondContact O-CB 3.48Å; K857-D860 PolarHBondContact O-N 3.4Å
858	I	80.6	Confident	74.8	Confident	15 Å²	15	74.3 Å²	74.3	8%	0.077	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-56.8	-38.7	-176.6	-65.3	160.1	0	0	0	111.8	L384 K387 L393 D397 L861	L384-I858 HydrophobicContact CD2-CG2 3.95Å; K387-I858 HydrophobicContact CB-CG2 4.11Å; L393-I858 HydrophobicContact CD1-CD1 4.16Å; D397-I858 HydrophobicContact CB-CD1 4.28Å; D397-I858 PolarHBondContact OD2-N 3.44Å; I858-L861 VanDerWaalsContact O-CB 3.31Å; I858-L861 WeakPolarHBondContact O-CB 3.47Å; I858-L861 PolarHBondContact O-N 3.34Å
859	Y	79.1	Confident	72.5	Confident	24 Å²	24	82.7 Å²	82.7	9%	0.094	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-75.9	-19.2	178.3	52.8	-106.7	0	0	0	114.8	D397 M398 H676 K857 L861 F862	D397-Y859 HydrophobicContact CB-CE1 4.42Å; D397-Y859 WeakPolarHBondContact O-CE1 3.29Å; M398-Y859 HydrophobicContact CB-CD1 4.23Å; M398-Y859 HydrophobicContact CG-CD1 4.46Å; M398-Y859 HydrophobicContact SD-CD1 4.45Å; H676-Y859 HydrophobicContact CB-CD1 4.41Å; H676-Y859 HydrophobicContact CB-CD2 4.17Å; H676-Y859 HydrophobicContact CB-CE1 4.1Å; H676-Y859 HydrophobicContact CB-CE2 3.85Å; H676-Y859 HydrophobicContact CB-CG 4.43Å; H676-Y859 AromaticContact CG-CD2 3.93Å; H676-Y859 AromaticContact CG-CG 3.9Å; H676-Y859 AromaticContact ND1-CD2 3.7Å; H676-Y859 AromaticContact ND1-CG 3.83Å; K857-Y859 HydrophobicContact CB-CD1 4.49Å; K857-Y859 HydrophobicContact CB-CD2 4.37Å; K857-Y859 HydrophobicContact CB-CE1 4.25Å; K857-Y859 HydrophobicContact CB-CE2 4.12Å; K857-Y859 HydrophobicContact CD-CE1 4.1Å; K857-Y859 HydrophobicContact CD-CE2 4.05Å; K857-Y859 WeakPolarHBondContact CD-OH 3.34Å; K857-Y859 PolarHBondContact O-N 3.4Å; Y859-L861 PolarHBondContact O-N 3.29Å; Y859-F862 PolarHBondContact O-N 3.03Å
860	D	80.3	Confident	69.8	Low	60 Å²	60	77.4 Å²	77.4	32%	0.321	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-67.7	0.7	171.3	-64.9	-41.5	0	0	0	112.5	K856 K857	K856-D860 HydrophobicContact CD-CB 4.47Å; K856-D860 WeakPolarHBondContact CE-O 3.27Å; K856-D860 HydrophobicContact CG-CB 3.87Å; K856-D860 PolarHBondContact NZ-O 2.9Å; K857-D860 WeakPolarHBondContact CB-OD2 3.31Å; K857-D860 PolarHBondContact N-OD2 3.1Å; K857-D860 VanDerWaalsContact N-OD2 3.13Å; K857-D860 WeakPolarHBondContact O-CB 3.48Å; K857-D860 PolarHBondContact O-N 3.4Å
861	L	77.6	Confident	67.6	Low	3 Å²	3	78.9 Å²	78.9	2%	0.016	41%	0.41	C	S	.	.	G	3₁₀ helix	trans	-58.3	-37	162	-172.9	73.4	0	0	0	111.5	I341 Q343 I344 K387 I858 Y859	I341-L861 HydrophobicContact CG2-CD1 4.14Å; I341-L861 WeakPolarHBondContact O-CD1 3.36Å; Q343-L861 CarbonylContact C-O 3.59Å; Q343-L861 WeakPolarHBondContact CA-O 3.17Å; I344-L861 HydrophobicContact CD1-CD2 3.54Å; I344-L861 HydrophobicContact CD1-CG 4.16Å; I344-L861 HydrophobicContact CG1-CD2 4Å; I344-L861 HydrophobicContact CG1-CG 4.06Å; I344-L861 PolarHBondContact N-O 3.49Å; K387-L861 HydrophobicContact CD-CD1 4.05Å; K387-L861 HydrophobicContact CD-CD2 3.65Å; K387-L861 HydrophobicContact CD-CG 4.36Å; I858-L861 VanDerWaalsContact O-CB 3.31Å; I858-L861 WeakPolarHBondContact O-CB 3.47Å; I858-L861 PolarHBondContact O-N 3.34Å; Y859-L861 PolarHBondContact O-N 3.29Å
862	F	77.9	Confident	65.1	Low	39 Å²	39	79.7 Å²	79.7	17%	0.171	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	139.2	-171.1	-70.8	-87.5	0	0	0	113	I344 K346 C380 L384 Y859	I344-F862 HydrophobicContact CB-CD1 3.95Å; I344-F862 HydrophobicContact CB-CE1 3.81Å; I344-F862 HydrophobicContact CB-CZ 4.43Å; I344-F862 HydrophobicContact CD1-CE1 3.94Å; I344-F862 HydrophobicContact CD1-CZ 3.81Å; I344-F862 HydrophobicContact CG1-CE1 4.46Å; I344-F862 HydrophobicContact CG2-CD1 4.01Å; I344-F862 HydrophobicContact CG2-CE1 3.69Å; I344-F862 WeakPolarHBondContact O-CA 3.36Å; K346-F862 HydrophobicContact CG-CD1 4.43Å; C380-F862 HydrophobicContact CB-CE1 3.73Å; C380-F862 HydrophobicContact CB-CZ 3.71Å; L384-F862 HydrophobicContact CD1-CE2 3.9Å; L384-F862 HydrophobicContact CD1-CZ 4.48Å; L384-F862 HydrophobicContact CD2-CD2 4.11Å; L384-F862 HydrophobicContact CD2-CE2 3.63Å; L384-F862 HydrophobicContact CG-CD2 4.45Å; L384-F862 HydrophobicContact CG-CE2 3.61Å; L384-F862 HydrophobicContact CG-CZ 4.31Å; Y859-F862 PolarHBondContact O-N 3.03Å
863	C	76.7	Confident	62.5	Low	37 Å²	37	85.8 Å²	85.8	25%	0.25	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	163.4	166.7	60.6	0	0	0	0	110.6	Q343 I344 V345 K346	Q343-C863 PolarHBondContact NE2-SG 3.28Å; I344-C863 PolarHBondContact O-N 3.25Å; V345-C863 CarbonylContact C-O 3.58Å; V345-C863 WeakPolarHBondContact CA-O 3.49Å; K346-C863 PolarHBondContact N-O 3.21Å
864	F	74.3	Confident	60.6	Low	129 Å²	129	87 Å²	87	57%	0.566	47%	0.47	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.8	127.6	-178.4	-63.1	-87.5	0	0	0	109.9	K346 Q348	K346-F864 HydrophobicContact CB-CD1 3.81Å; K346-F864 HydrophobicContact CB-CE1 3.85Å; K346-F864 HydrophobicContact CD-CE1 3.96Å; K346-F864 HydrophobicContact CG-CE1 4.43Å; K346-F864 WeakPolarHBondContact O-CA 3.45Å; Q348-F864 HydrophobicContact CG-CB 4.27Å; Q348-F864 HydrophobicContact CG-CD1 4.43Å
865	E	75	Confident	58.2	Low	66 Å²	66	92.5 Å²	92.5	31%	0.308	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	127.2	178.8	-171.1	170.7	-150.6	0	0	109.4	V345 K346 F347 Q348 R355	V345-E865 HydrophobicContact CG1-CB 3.5Å; K346-E865 PolarHBondContact O-N 3.25Å; K346-E865 VanDerWaalsContact O-N 3.14Å; F347-E865 HydrophobicContact CD1-CB 4.47Å; F347-E865 WeakPolarHBondContact CE1-OE2 3.47Å; Q348-E865 PolarHBondContact N-O 3.1Å; R355-E865 IonicContact CZ-OE1 3.66Å; R355-E865 IonicContact CZ-OE2 2.75Å; R355-E865 IonicContact NH1-OE1 3.9Å; R355-E865 PolarHBondContact NH1-OE1 3.3Å; R355-E865 IonicContact NH1-OE2 3.61Å; R355-E865 PolarHBondContact NH1-OE2 2.82Å; R355-E865 IonicContact NH2-OE1 2.69Å; R355-E865 IonicContact NH2-OE2 3.66Å; R355-E865 PolarHBondContact NH2-OE2 2.88Å
866	K	47.9	Very low	55.9	Low	155 Å²	155	94.3 Å²	94.3	67%	0.674	51%	0.509	S	S	*	.			trans	-92	132.8	166.5	-73.7	-173.3	174.5	-173.1	0	108.1	D868	K866-D868 PolarHBondContact O-N 3.42Å; K866-D868 VanDerWaalsContact O-N 3.08Å
867	D	46.3	Very low	53.7	Low	76 Å²	76	94.5 Å²	94.5	41%	0.406	52%	0.523	S	S	.	.			trans	-85.3	74.9	-171.2	-170.5	39.4	0	0	0	110.9	K869	D867-K869 PolarHBondContact O-N 3.18Å; D867-K869 WeakPolarHBondContact OD2-CE 3.32Å
868	D	38.8	Very low	51.2	Low	156 Å²	156	102.8 Å²	102.8	83%	0.834	56%	0.561	S	S	*	*			trans	-69.7	96.4	174.6	-83.9	-20.7	0	0	0	110.3	K866 G870	K866-D868 PolarHBondContact O-N 3.42Å; K866-D868 VanDerWaalsContact O-N 3.08Å; D868-G870 PolarHBondContact O-N 2.76Å
869	K	40.9	Very low	48.6	Very low	177 Å²	177	106 Å²	106	77%	0.77	59%	0.59	S	S	*	*			trans	-75.4	89.8	-175.5	-71.7	-172.7	177	-179.9	0	113.2	D867	D867-K869 PolarHBondContact O-N 3.18Å; D867-K869 WeakPolarHBondContact OD2-CE 3.32Å
870	G	28.9	Very low	46.2	Very low	67 Å²	67	110.6 Å²	110.6	69%	0.691	63%	0.633	S	S	*	*			trans	-118.2	111.7	165.4	0	0	0	0	0	112.5	D868 G872	D868-G870 PolarHBondContact O-N 2.76Å; G870-G872 PolarHBondContact O-N 3.17Å
871	P	38.3	Very low	43.5	Very low	140 Å²	140	111.2 Å²	111.2	91%	0.909	65%	0.647	S	S	*	*			trans	-86.9	97.4	178.6	32.7	-32.2	0	0	0	111.7
872	G	31.1	Very low	41.3	Very low	67 Å²	67	122.6 Å²	122.6	69%	0.691	69%	0.689	S	S	*	*			trans	-174.7	104.6	176.3	0	0	0	0	0	117.4	G870	G870-G872 PolarHBondContact O-N 3.17Å
873	R	28.9	Very low	38.6	Very low	255 Å²	255	128 Å²	128	96%	0.962	72%	0.718	S	S	*	*			trans	54.5	118.4	160.1	-61.2	-175.3	176.8	-139.5	-2.4	117.5
874	G	38.8	Very low	36	Very low	77 Å²	77	132.1 Å²	132.1	79%	0.794	74%	0.742	S	S	*	*			trans	-80.1	148.3	173.1	0	0	0	0	0	113.7
875	H	25.6	Very low	33.7	Very low	189 Å²	189	131.7 Å²	131.7	88%	0.875	75%	0.75	S	S	*	*			trans	-133	128.6	153	-124	-80.4	0	0	0	107.8
876	V	32.7	Very low	31.2	Very low	114 Å²	114	135.1 Å²	135.1	69%	0.691	78%	0.776	S	S	*	*			trans	-92.7	121.3	177	178.8	0	0	0	0	108.8	H878	V876-H878 PolarHBondContact O-N 3Å
877	P	27.8	Very low	30.3	Very low	127 Å²	127	133.8 Å²	133.8	83%	0.825	77%	0.767	S	S	*	*			trans	-81	97.2	171.6	-2.7	20.9	0	0	0	109.7	A879	P877-A879 PolarHBondContact O-N 3.45Å
878	H	28.7	Very low	29.2	Very low	185 Å²	185	136 Å²	136	86%	0.856	79%	0.785	S	S	*	*			trans	-85.4	90.6	169.1	-111.6	-79.6	0	0	0	110	V876	V876-H878 PolarHBondContact O-N 3Å
879	A	24.3	Very low	28.7	Very low	84 Å²	84	133.9 Å²	133.9	69%	0.694	78%	0.783	S	S	*	*			trans	-156.6	132.8	165.5	0	0	0	0	0	111.2	P877 A881	P877-A879 PolarHBondContact O-N 3.45Å; A879-A881 VanDerWaalsContact C-N 3.29Å; A879-A881 PolarHBondContact O-N 3.04Å
880	A	30.1	Very low	28	Very low	119 Å²	119	128.4 Å²	128.4	98%	0.983	78%	0.776	S	S	*	*			trans	-81.2	73.8	174.8	0	0	0	0	0	111
881	A	23.8	Very low	27.9	Very low	74 Å²	74	130.9 Å²	130.9	61%	0.612	78%	0.777	S	S	*	*			trans	-108.4	151.6	166.4	0	0	0	0	0	109.7	A879 I883	A879-A881 VanDerWaalsContact C-N 3.29Å; A879-A881 PolarHBondContact O-N 3.04Å; A881-I883 PolarHBondContact O-N 3.37Å
882	R	30.9	Very low	27.4	Very low	241 Å²	241	128.3 Å²	128.3	91%	0.909	76%	0.761	S	S	*	*			trans	-59.7	107	172.6	-71.8	176.4	175.9	162.6	-2.9	108.4	T884	R882-T884 VanDerWaalsContact C-N 3.33Å; R882-T884 PolarHBondContact O-N 3Å
883	I	21.6	Very low	27.2	Very low	152 Å²	152	129.6 Å²	129.6	78%	0.779	77%	0.765	S	S	*	*			trans	-67.3	98.8	172.2	-61.2	177.7	0	0	0	106.6	A881 V885	A881-I883 PolarHBondContact O-N 3.37Å; I883-V885 PolarHBondContact O-N 3.02Å; I883-V885 VanDerWaalsContact O-N 3.11Å
884	T	22.2	Very low	27.1	Very low	124 Å²	124	124.3 Å²	124.3	76%	0.761	75%	0.749	S	S	*	*			trans	-52.1	118.9	166.1	-48.1	0	0	0	0	106.8	R882 T886	R882-T884 VanDerWaalsContact C-N 3.33Å; R882-T884 PolarHBondContact O-N 3Å; T884-T886 PolarHBondContact O-N 3.13Å
885	V	25.4	Very low	26.7	Very low	120 Å²	120	123.1 Å²	123.1	73%	0.727	73%	0.727	S	S	*	*			trans	-62.8	105.6	-178.2	176.8	0	0	0	0	107.7	I883 R887	I883-V885 PolarHBondContact O-N 3.02Å; I883-V885 VanDerWaalsContact O-N 3.11Å; V885-R887 HydrophobicContact CG1-CG 4.37Å; V885-R887 PolarHBondContact O-N 3.19Å
886	T	22.8	Very low	26.9	Very low	138 Å²	138	118.9 Å²	118.9	85%	0.847	71%	0.714	S	S	*	*			trans	-66.4	75.4	161.1	10.6	0	0	0	0	107.4	T884	T884-T886 PolarHBondContact O-N 3.13Å
887	R	28.1	Very low	26.9	Very low	128 Å²	128	118.4 Å²	118.4	48%	0.483	71%	0.712	S	S	.	*			trans	-47.6	147.7	157.9	-102.7	-176.9	173.2	152.6	3.6	106.7	V885 S889	V885-R887 HydrophobicContact CG1-CG 4.37Å; V885-R887 PolarHBondContact O-N 3.19Å; R887-S889 PolarHBondContact O-N 2.99Å
888	P	24.1	Very low	27.2	Very low	121 Å²	121	117.6 Å²	117.6	79%	0.786	71%	0.709	S	S	*	*			trans	-53	115	164.5	24.6	-32.8	0	0	0	107.1	G890	P888-G890 PolarHBondContact O-N 3.02Å
889	S	27	Very low	27.6	Very low	113 Å²	113	110.6 Å²	110.6	79%	0.79	68%	0.681	S	S	*	*			trans	-72.8	76.3	175.9	56.3	0	0	0	0	107.4	R887 V891	R887-S889 PolarHBondContact O-N 2.99Å; S889-V891 PolarHBondContact O-N 3.28Å
890	G	27.2	Very low	28.5	Very low	61 Å²	61	107.8 Å²	107.8	63%	0.629	65%	0.653	S	S	*	*			trans	-69.6	67.4	179	0	0	0	0	0	111.2	P888	P888-G890 PolarHBondContact O-N 3.02Å
891	V	26.5	Very low	29.2	Very low	119 Å²	119	106.9 Å²	106.9	72%	0.721	64%	0.635	S	S	*	*			trans	-46.8	119	132.7	-179.9	0	0	0	0	104.6	S889 A893	S889-V891 PolarHBondContact O-N 3.28Å; V891-A893 PolarHBondContact O-N 2.94Å
892	P	27.4	Very low	30.7	Very low	87 Å²	87	104.1 Å²	104.1	57%	0.565	61%	0.61	S	S	*	*			trans	-53.8	121.9	-176.5	20.9	-32.1	0	0	0	107.4	K894	P892-K894 PolarHBondContact O-N 3Å
893	A	26.7	Very low	31.8	Very low	93 Å²	93	95 Å²	95	77%	0.769	58%	0.582	S	S	*	*			trans	-54.7	111.3	-170.6	0	0	0	0	0	108.1	V891 P895	V891-A893 PolarHBondContact O-N 2.94Å; A893-P895 WeakPolarHBondContact O-CD 3.38Å
894	K	27.1	Very low	33.3	Very low	145 Å²	145	87.8 Å²	87.8	63%	0.63	55%	0.545	S	S	*	.			trans	-41.9	109.8	-164.3	-94.3	-146.5	174.2	-154	0	108.7	P892 T896 E909	P892-K894 PolarHBondContact O-N 3Å; K894-T896 PolarHBondContact O-N 3.17Å; K894-E909 IonicContact NZ-OE1 3.49Å; K894-E909 PolarHBondContact NZ-OE1 3.48Å; K894-E909 IonicContact NZ-OE2 2.9Å
895	P	31.9	Very low	35	Very low	52 Å²	52	83.3 Å²	83.3	34%	0.338	51%	0.514	S	S	.	.			trans	-56.3	131.8	-171	-28.1	35.3	0	0	0	109.2	A893 V897 S899 Y900	A893-P895 WeakPolarHBondContact O-CD 3.38Å; P895-V897 PolarHBondContact O-N 2.85Å; P895-S899 VanDerWaalsContact CB-OG 3.22Å; P895-S899 WeakPolarHBondContact CB-OG 3.35Å; P895-Y900 HydrophobicContact CB-CE2 3.82Å; P895-Y900 WeakPolarHBondContact CD-OH 3.33Å; P895-Y900 WeakPolarHBondContact CG-OH 3.38Å
896	T	28.6	Very low	36.6	Very low	99 Å²	99	80.1 Å²	80.1	61%	0.607	49%	0.491	S	S	*	.			trans	-53.8	137.1	-177.2	47.2	0	0	0	0	108.8	K894 S898 S899	K894-T896 PolarHBondContact O-N 3.17Å; T896-S898 PolarHBondContact O-N 2.9Å; T896-S899 VanDerWaalsContact O-CB 3.29Å; T896-S899 WeakPolarHBondContact O-CB 3.42Å; T896-S899 PolarHBondContact O-N 3.33Å; T896-S899 PolarHBondContact O-OG 2.84Å
897	V	33	Very low	38.4	Very low	104 Å²	104	74.8 Å²	74.8	63%	0.63	46%	0.457	S	S	*	.	G	3₁₀ helix	trans	-54.5	-26.8	-167.5	-175.7	0	0	0	0	113.1	P895 S899 F906	P895-V897 PolarHBondContact O-N 2.85Å; V897-S899 PolarHBondContact O-N 3.13Å; V897-F906 HydrophobicContact CG1-CE1 4.1Å; V897-F906 HydrophobicContact CG1-CZ 4.31Å
898	S	34.8	Very low	39.9	Very low	110 Å²	110	69.5 Å²	69.5	77%	0.769	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-66	-9.8	171.9	53.8	0	0	0	0	116.4	T896	T896-S898 PolarHBondContact O-N 2.9Å
899	S	36.1	Very low	41.8	Very low	38 Å²	38	68.2 Å²	68.2	27%	0.266	42%	0.421	S	S	.	.	G	3₁₀ helix	trans	-90.4	-1	-177.1	65.9	0	0	0	0	114.1	R619 P895 T896 V897	R619-S899 PolarHBondContact NH2-O 3.26Å; P895-S899 VanDerWaalsContact CB-OG 3.22Å; P895-S899 WeakPolarHBondContact CB-OG 3.35Å; T896-S899 VanDerWaalsContact O-CB 3.29Å; T896-S899 WeakPolarHBondContact O-CB 3.42Å; T896-S899 PolarHBondContact O-N 3.33Å; T896-S899 PolarHBondContact O-OG 2.84Å; V897-S899 PolarHBondContact O-N 3.13Å
900	Y	44	Very low	43	Very low	26 Å²	26	66 Å²	66	10%	0.102	42%	0.415	C	S	.	.			trans	-101.3	95.1	179.2	-66	-79.3	0	0	0	111.6	F828 P895 Y905	F828-Y900 HydrophobicContact CE1-CE1 4.48Å; F828-Y900 HydrophobicContact CZ-CE1 4.28Å; P895-Y900 HydrophobicContact CB-CE2 3.82Å; P895-Y900 WeakPolarHBondContact CD-OH 3.33Å; P895-Y900 WeakPolarHBondContact CG-OH 3.38Å; Y900-Y905 AromaticContact CD1-CD1 3.71Å; Y900-Y905 HydrophobicContact CD1-CD1 3.71Å; Y900-Y905 HydrophobicContact CD1-CD2 4.18Å; Y900-Y905 AromaticContact CD1-CG 3.46Å; Y900-Y905 HydrophobicContact CD1-CG 3.46Å; Y900-Y905 VanDerWaalsContact CD1-CG 3.46Å; Y900-Y905 AromaticContact CD2-CD1 3.42Å; Y900-Y905 HydrophobicContact CD2-CD1 3.42Å; Y900-Y905 VanDerWaalsContact CD2-CD1 3.42Å; Y900-Y905 AromaticContact CD2-CE1 3.77Å; Y900-Y905 HydrophobicContact CD2-CE1 3.77Å; Y900-Y905 HydrophobicContact CD2-CG 4.07Å; Y900-Y905 AromaticContact CE1-CD1 3.63Å; Y900-Y905 HydrophobicContact CE1-CD1 3.63Å; Y900-Y905 AromaticContact CE1-CD2 3.49Å; Y900-Y905 HydrophobicContact CE1-CD2 3.49Å; Y900-Y905 VanDerWaalsContact CE1-CD2 3.49Å; Y900-Y905 HydrophobicContact CE1-CE1 4.2Å; Y900-Y905 HydrophobicContact CE1-CE2 4.12Å; Y900-Y905 AromaticContact CE1-CG 3.23Å; Y900-Y905 HydrophobicContact CE1-CG 3.23Å; Y900-Y905 AromaticContact CE2-CD1 3.35Å; Y900-Y905 HydrophobicContact CE2-CD1 3.35Å; Y900-Y905 HydrophobicContact CE2-CD2 4.34Å; Y900-Y905 AromaticContact CE2-CE1 3.3Å; Y900-Y905 HydrophobicContact CE2-CE1 3.3Å; Y900-Y905 HydrophobicContact CE2-CE2 4.34Å; Y900-Y905 AromaticContact CE2-CG 3.89Å; Y900-Y905 HydrophobicContact CE2-CG 3.89Å; Y900-Y905 AromaticContact CE2-CZ 3.85Å; Y900-Y905 AromaticContact CG-CD1 3.58Å; Y900-Y905 HydrophobicContact CG-CD1 3.58Å; Y900-Y905 HydrophobicContact CG-CE1 4.38Å; Y900-Y905 AromaticContact CG-CG 3.85Å; Y900-Y905 HydrophobicContact CG-CG 3.85Å; Y900-Y905 AromaticContact CZ-CD1 3.43Å; Y900-Y905 VanDerWaalsContact CZ-CD1 3.43Å; Y900-Y905 AromaticContact CZ-CD2 3.57Å; Y900-Y905 AromaticContact CZ-CE1 3.52Å; Y900-Y905 AromaticContact CZ-CE2 3.69Å; Y900-Y905 AromaticContact CZ-CG 3.45Å; Y900-Y905 VanDerWaalsContact CZ-CG 3.45Å; Y900-Y905 AromaticContact CZ-CZ 3.67Å; Y900-Y905 VanDerWaalsContact OH-CE2 3.31Å; Y900-Y905 WeakPolarHBondContact OH-CE2 3.29Å
901	T	44.7	Very low	44.1	Very low	99 Å²	99	66.8 Å²	66.8	61%	0.607	41%	0.408	S	S	*	.			trans	-78.4	-6	167.5	48.8	0	0	0	0	113.1	R619	R619-T901 PolarHBondContact NE-OG1 3.09Å; R619-T901 PolarHBondContact NH1-OG1 3.35Å
902	N	54.1	Low	44.8	Very low	17 Å²	17	66.4 Å²	66.4	9%	0.091	41%	0.411	C	S	.	.	S	Bend	trans	-111.8	121.1	-175	-175.1	-8.8	0	0	0	110.4	F767 E835 A904	F767-N902 WeakPolarHBondContact CE1-OD1 2.97Å; E835-N902 WeakPolarHBondContact OE1-CB 3.11Å; E835-N902 PolarHBondContact OE1-ND2 2.99Å; N902-A904 PolarHBondContact O-N 3.11Å; N902-A904 VanDerWaalsContact O-N 3.09Å; N902-A904 VanDerWaalsContact OD1-CB 3.31Å; N902-A904 WeakPolarHBondContact OD1-CB 3.47Å; N902-A904 PolarHBondContact OD1-N 2.87Å; N902-A904 VanDerWaalsContact OD1-N 3.09Å
903	P	54.5	Low	45.7	Very low	49 Å²	49	65.2 Å²	65.2	32%	0.318	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-25.8	176.3	-28.5	36.1	0	0	0	114.9	F767 Y905 F906 I907	F767-P903 HydrophobicContact CE2-CB 3.99Å; F767-P903 HydrophobicContact CE2-CG 4.07Å; F767-P903 HydrophobicContact CZ-CB 4.24Å; F767-P903 HydrophobicContact CZ-CG 4.22Å; P903-Y905 PolarHBondContact O-N 3.08Å; P903-Y905 VanDerWaalsContact O-N 3.08Å; P903-F906 PolarHBondContact O-N 3.2Å; P903-I907 PolarHBondContact O-N 3.13Å
904	A	53.8	Low	46.2	Very low	1 Å²	1	66.3 Å²	66.3	1%	0.008	40%	0.401	C	S	.	.	H	α-helix	trans	-51.4	-33.7	-177.2	0	0	0	0	0	114.6	I730 F767 N902 I907 F908	I730-A904 HydrophobicContact CB-CB 4.25Å; I730-A904 VanDerWaalsContact CD1-O 3.27Å; I730-A904 WeakPolarHBondContact CD1-O 3.47Å; I730-A904 HydrophobicContact CG2-CB 3.67Å; F767-A904 HydrophobicContact CD1-CB 4.25Å; F767-A904 HydrophobicContact CE1-CB 4.1Å; N902-A904 PolarHBondContact O-N 3.11Å; N902-A904 VanDerWaalsContact O-N 3.09Å; N902-A904 VanDerWaalsContact OD1-CB 3.31Å; N902-A904 WeakPolarHBondContact OD1-CB 3.47Å; N902-A904 PolarHBondContact OD1-N 2.87Å; N902-A904 VanDerWaalsContact OD1-N 3.09Å; A904-I907 WeakPolarHBondContact O-CB 3.32Å; A904-I907 PolarHBondContact O-N 3.31Å; A904-F908 PolarHBondContact O-N 3.48Å
905	Y	56.8	Low	46.5	Very low	30 Å²	30	67.8 Å²	67.8	12%	0.118	41%	0.41	C	S	.	.	H	α-helix	trans	-68.6	-39	179.1	-179.2	-111.4	0	0	0	113	Y900 P903 I907 F908 E909	Y900-Y905 AromaticContact CD1-CD1 3.71Å; Y900-Y905 HydrophobicContact CD1-CD1 3.71Å; Y900-Y905 HydrophobicContact CD1-CD2 4.18Å; Y900-Y905 AromaticContact CD1-CG 3.46Å; Y900-Y905 HydrophobicContact CD1-CG 3.46Å; Y900-Y905 VanDerWaalsContact CD1-CG 3.46Å; Y900-Y905 AromaticContact CD2-CD1 3.42Å; Y900-Y905 HydrophobicContact CD2-CD1 3.42Å; Y900-Y905 VanDerWaalsContact CD2-CD1 3.42Å; Y900-Y905 AromaticContact CD2-CE1 3.77Å; Y900-Y905 HydrophobicContact CD2-CE1 3.77Å; Y900-Y905 HydrophobicContact CD2-CG 4.07Å; Y900-Y905 AromaticContact CE1-CD1 3.63Å; Y900-Y905 HydrophobicContact CE1-CD1 3.63Å; Y900-Y905 AromaticContact CE1-CD2 3.49Å; Y900-Y905 HydrophobicContact CE1-CD2 3.49Å; Y900-Y905 VanDerWaalsContact CE1-CD2 3.49Å; Y900-Y905 HydrophobicContact CE1-CE1 4.2Å; Y900-Y905 HydrophobicContact CE1-CE2 4.12Å; Y900-Y905 AromaticContact CE1-CG 3.23Å; Y900-Y905 HydrophobicContact CE1-CG 3.23Å; Y900-Y905 AromaticContact CE2-CD1 3.35Å; Y900-Y905 HydrophobicContact CE2-CD1 3.35Å; Y900-Y905 HydrophobicContact CE2-CD2 4.34Å; Y900-Y905 AromaticContact CE2-CE1 3.3Å; Y900-Y905 HydrophobicContact CE2-CE1 3.3Å; Y900-Y905 HydrophobicContact CE2-CE2 4.34Å; Y900-Y905 AromaticContact CE2-CG 3.89Å; Y900-Y905 HydrophobicContact CE2-CG 3.89Å; Y900-Y905 AromaticContact CE2-CZ 3.85Å; Y900-Y905 AromaticContact CG-CD1 3.58Å; Y900-Y905 HydrophobicContact CG-CD1 3.58Å; Y900-Y905 HydrophobicContact CG-CE1 4.38Å; Y900-Y905 AromaticContact CG-CG 3.85Å; Y900-Y905 HydrophobicContact CG-CG 3.85Å; Y900-Y905 AromaticContact CZ-CD1 3.43Å; Y900-Y905 VanDerWaalsContact CZ-CD1 3.43Å; Y900-Y905 AromaticContact CZ-CD2 3.57Å; Y900-Y905 AromaticContact CZ-CE1 3.52Å; Y900-Y905 AromaticContact CZ-CE2 3.69Å; Y900-Y905 AromaticContact CZ-CG 3.45Å; Y900-Y905 VanDerWaalsContact CZ-CG 3.45Å; Y900-Y905 AromaticContact CZ-CZ 3.67Å; Y900-Y905 VanDerWaalsContact OH-CE2 3.31Å; Y900-Y905 WeakPolarHBondContact OH-CE2 3.29Å; P903-Y905 PolarHBondContact O-N 3.08Å; P903-Y905 VanDerWaalsContact O-N 3.08Å; Y905-I907 VanDerWaalsContact C-N 3.26Å; Y905-I907 PolarHBondContact O-N 2.99Å; Y905-F908 PolarHBondContact O-N 2.82Å; Y905-E909 HydrophobicContact CE1-CG 4.15Å; Y905-E909 HydrophobicContact CE2-CG 4.11Å; Y905-E909 PolarHBondContact O-N 3.44Å; Y905-E909 PolarHBondContact OH-OE1 2.8Å
906	F	59	Low	46.6	Very low	52 Å²	52	77.3 Å²	77.3	23%	0.228	44%	0.439	C	S	.	.	H	α-helix	trans	-65.9	-31.4	178.2	-60.4	-81.4	0	0	0	111.7	V897 P903 F908 E909 G910 V911	V897-F906 HydrophobicContact CG1-CE1 4.1Å; V897-F906 HydrophobicContact CG1-CZ 4.31Å; P903-F906 PolarHBondContact O-N 3.2Å; F906-F908 VanDerWaalsContact C-N 3.33Å; F906-F908 PolarHBondContact O-N 3.05Å; F906-E909 PolarHBondContact O-N 3.35Å; F906-G910 PolarHBondContact O-N 2.99Å; F906-G910 VanDerWaalsContact O-N 3.08Å; F906-V911 HydrophobicContact CB-CB 4.3Å; F906-V911 HydrophobicContact CD1-CB 4.24Å; F906-V911 HydrophobicContact CD1-CG1 4.2Å; F906-V911 PolarHBondContact O-N 3.27Å
907	I	61	Low	46.7	Very low	26 Å²	26	78.3 Å²	78.3	13%	0.133	45%	0.445	C	S	.	.	H	α-helix	trans	-63.8	-35.9	172	-55.2	175.4	0	0	0	111.4	I730 V764 F767 P903 A904 Y905	I730-I907 HydrophobicContact CD1-CB 3.8Å; I730-I907 HydrophobicContact CD1-CG2 3.72Å; I730-I907 HydrophobicContact CG2-CD1 4.48Å; V764-I907 HydrophobicContact CB-CD1 3.66Å; V764-I907 HydrophobicContact CB-CG1 4.28Å; V764-I907 HydrophobicContact CG1-CD1 4.24Å; V764-I907 HydrophobicContact CG2-CD1 3.65Å; V764-I907 HydrophobicContact CG2-CG1 3.68Å; F767-I907 HydrophobicContact CB-CD1 3.89Å; F767-I907 HydrophobicContact CD2-CD1 4.48Å; F767-I907 HydrophobicContact CG-CD1 4.14Å; P903-I907 PolarHBondContact O-N 3.13Å; A904-I907 WeakPolarHBondContact O-CB 3.32Å; A904-I907 PolarHBondContact O-N 3.31Å; Y905-I907 VanDerWaalsContact C-N 3.26Å; Y905-I907 PolarHBondContact O-N 2.99Å
908	F	60.3	Low	46.8	Very low	18 Å²	18	82.3 Å²	82.3	8%	0.079	46%	0.456	C	S	.	.	H	α-helix	trans	-74.1	-31.1	178.7	-91.9	-35.1	0	0	0	114.5	D728 I730 S838 R840 A904 Y905 F906	D728-F908 HydrophobicContact CB-CE1 3.88Å; D728-F908 HydrophobicContact CB-CZ 4.18Å; I730-F908 HydrophobicContact CB-CZ 4.48Å; I730-F908 HydrophobicContact CD1-CB 4.38Å; I730-F908 HydrophobicContact CD1-CD1 3.56Å; I730-F908 HydrophobicContact CD1-CD2 3.76Å; I730-F908 HydrophobicContact CD1-CE1 3.67Å; I730-F908 HydrophobicContact CD1-CE2 3.88Å; I730-F908 HydrophobicContact CD1-CG 3.59Å; I730-F908 HydrophobicContact CD1-CZ 3.83Å; I730-F908 HydrophobicContact CG1-CD1 4.22Å; I730-F908 HydrophobicContact CG1-CE1 3.79Å; I730-F908 HydrophobicContact CG1-CE2 4.13Å; I730-F908 HydrophobicContact CG1-CZ 3.75Å; S838-F908 WeakPolarHBondContact OG-CE2 3.47Å; R840-F908 HydrophobicContact CG-CE1 4.23Å; R840-F908 HydrophobicContact CG-CE2 4.32Å; R840-F908 HydrophobicContact CG-CZ 3.91Å; A904-F908 PolarHBondContact O-N 3.48Å; Y905-F908 PolarHBondContact O-N 2.82Å; F906-F908 VanDerWaalsContact C-N 3.33Å; F906-F908 PolarHBondContact O-N 3.05Å
909	E	63.3	Low	46.4	Very low	93 Å²	93	86 Å²	86	44%	0.435	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	1.5	176	-63.7	-88.1	-167	0	0	112.3	K894 Y905 F906 V911	K894-E909 IonicContact NZ-OE1 3.49Å; K894-E909 PolarHBondContact NZ-OE1 3.48Å; K894-E909 IonicContact NZ-OE2 2.9Å; Y905-E909 HydrophobicContact CE1-CG 4.15Å; Y905-E909 HydrophobicContact CE2-CG 4.11Å; Y905-E909 PolarHBondContact O-N 3.44Å; Y905-E909 PolarHBondContact OH-OE1 2.8Å; F906-E909 PolarHBondContact O-N 3.35Å; E909-V911 VanDerWaalsContact C-N 3.28Å; E909-V911 HydrophobicContact CB-CG2 4.12Å; E909-V911 PolarHBondContact O-N 3.35Å
910	G	52.2	Low	46.1	Very low	66 Å²	66	88.7 Å²	88.7	68%	0.68	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	71	17.5	178.4	0	0	0	0	0	114.9	F906	F906-G910 PolarHBondContact O-N 2.99Å; F906-G910 VanDerWaalsContact O-N 3.08Å
911	V	49.8	Very low	45.5	Very low	78 Å²	78	95.4 Å²	95.4	47%	0.473	52%	0.523	S	S	.	.			trans	-84.6	119.7	-176.8	179.8	0	0	0	0	109.5	F906 E909 V913	F906-V911 HydrophobicContact CB-CB 4.3Å; F906-V911 HydrophobicContact CD1-CB 4.24Å; F906-V911 HydrophobicContact CD1-CG1 4.2Å; F906-V911 PolarHBondContact O-N 3.27Å; E909-V911 VanDerWaalsContact C-N 3.28Å; E909-V911 HydrophobicContact CB-CG2 4.12Å; E909-V911 PolarHBondContact O-N 3.35Å; V911-V913 PolarHBondContact O-N 3.32Å
912	S	42.5	Very low	45	Very low	112 Å²	112	96.6 Å²	96.6	78%	0.783	53%	0.532	S	S	*	.			trans	-57.3	112	174.1	-49	0	0	0	0	110.1	P914	S912-P914 WeakPolarHBondContact O-CD 3.41Å
913	V	44.7	Very low	44	Very low	62 Å²	62	104.5 Å²	104.5	38%	0.376	57%	0.569	S	S	.	*	P	Polyproline II helix	trans	-66.5	124.8	175.1	142.5	0	0	0	0	108.2	V764 V911 H915	V764-V913 HydrophobicContact CG2-CG2 4.34Å; V911-V913 PolarHBondContact O-N 3.32Å; V913-H915 PolarHBondContact O-N 3.43Å
914	P	37.5	Very low	42.8	Very low	116 Å²	116	113 Å²	113	75%	0.753	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-58.3	128.3	-179.7	-23.8	33.4	0	0	0	110	S912 R916	S912-P914 WeakPolarHBondContact O-CD 3.41Å; P914-R916 PolarHBondContact O-N 3.06Å
915	H	34.2	Very low	41.8	Very low	176 Å²	176	124 Å²	124	82%	0.815	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-56.5	126.3	169.3	-80.9	-17.6	0	0	0	108.9	V913 V917	V913-H915 PolarHBondContact O-N 3.43Å; H915-V917 PolarHBondContact O-N 2.8Å
916	R	33.6	Very low	40.5	Very low	252 Å²	252	128.7 Å²	128.7	95%	0.951	66%	0.663	S	S	*	*			trans	-64.4	94	157	-91.4	-172.9	166.6	-168	-4.4	107.1	P914 E918	P914-R916 PolarHBondContact O-N 3.06Å; R916-E918 PolarHBondContact O-N 3.19Å
917	V	29.9	Very low	39.3	Very low	119 Å²	119	132.1 Å²	132.1	72%	0.721	69%	0.69	S	S	*	*			trans	-58.8	127.6	158.2	179.6	0	0	0	0	106.4	H915 E919	H915-V917 PolarHBondContact O-N 2.8Å; V917-E919 PolarHBondContact O-N 2.9Å; V917-E919 VanDerWaalsContact O-N 3.13Å
918	E	36	Very low	38	Very low	188 Å²	188	139.8 Å²	139.8	88%	0.879	73%	0.726	S	S	*	*			trans	-71.1	103.2	173.1	-169.9	164.1	-142.4	0	0	107.5	R916 A920	R916-E918 PolarHBondContact O-N 3.19Å; E918-A920 PolarHBondContact O-N 2.75Å
919	E	26.5	Very low	37.1	Very low	188 Å²	188	143.4 Å²	143.4	88%	0.879	75%	0.749	S	S	*	*			trans	-66.2	102.1	-173.1	-78.8	-169	124.5	0	0	111.4	V917	V917-E919 PolarHBondContact O-N 2.9Å; V917-E919 VanDerWaalsContact O-N 3.13Å
920	A	30.2	Very low	36.3	Very low	94 Å²	94	146.4 Å²	146.4	78%	0.777	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-61.9	135.6	169.4	0	0	0	0	0	110.7	E918	E918-A920 PolarHBondContact O-N 2.75Å
921	L	30.9	Very low	35.8	Very low	167 Å²	167	150.9 Å²	150.9	87%	0.874	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-59	122.6	-176.2	-68.1	166.3	0	0	0	111.8
922	P	34.3	Very low	35.4	Very low	125 Å²	125	151.4 Å²	151.4	81%	0.812	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-72.4	134.9	-179.7	28	-33.9	0	0	0	111.9
923	Q	32.7	Very low	36.3	Very low	182 Å²	182	148.7 Å²	148.7	85%	0.85	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-68.9	141	174.5	-68.3	-179.7	-21	0	0	111.5
924	R	28.8	Very low	36.3	Very low	227 Å²	227	153.7 Å²	153.7	86%	0.857	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-65	140.8	166.4	-92.7	-170.6	175.3	-170.6	0.2	110.9
925	R	33.3	Very low	36.4	Very low	234 Å²	234	155.8 Å²	155.8	88%	0.883	78%	0.784	S	S	*	*			trans	-128.8	138.5	149.4	-68.2	-172.7	-178.3	-173.2	1.6	107.6
926	D	30.1	Very low	36.9	Very low	128 Å²	128	150.3 Å²	150.3	68%	0.684	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-79.5	149.5	-178	-57.8	-67.4	0	0	0	111.8
927	P	33.1	Very low	37.2	Very low	124 Å²	124	145 Å²	145	81%	0.805	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-75.5	142.3	-178.3	30.6	-34.8	0	0	0	112.2
928	Q	34.3	Very low	37.6	Very low	187 Å²	187	148.4 Å²	148.4	87%	0.874	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-74.1	139.1	173.8	-69.9	-178.9	-26.4	0	0	111.8
929	V	41	Very low	37.6	Very low	94 Å²	94	146.9 Å²	146.9	57%	0.57	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-87.3	124.5	167.1	179.1	0	0	0	0	108.9	W931	V929-W931 HydrophobicContact CG1-CD2 4.38Å; V929-W931 HydrophobicContact CG1-CZ2 4.28Å
930	I	46.8	Very low	38.1	Very low	155 Å²	155	143.6 Å²	143.6	80%	0.795	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-90.5	123.5	170.8	-59	178.3	0	0	0	108.1
931	W	42.6	Very low	38.1	Very low	160 Å²	160	148.6 Å²	148.6	61%	0.606	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-98.8	152.5	-178.5	-67.1	85.9	0	0	0	111.8	V929 A936	V929-W931 HydrophobicContact CG1-CD2 4.38Å; V929-W931 HydrophobicContact CG1-CZ2 4.28Å; W931-A936 HydrophobicContact CE3-CB 4.36Å; W931-A936 HydrophobicContact CH2-CB 4.47Å; W931-A936 HydrophobicContact CZ3-CB 4.1Å
932	S	39.6	Very low	38.3	Very low	90 Å²	90	147.9 Å²	147.9	63%	0.629	77%	0.765	S	S	*	*	S	Bend	trans	-129.7	68.7	172.6	178.5	0	0	0	0	109.7
933	G	62.6	Low	38.1	Very low	55 Å²	55	147.5 Å²	147.5	57%	0.567	77%	0.766	S	S	*	*	S	Bend	trans	78.7	-146.7	-166.4	0	0	0	0	0	111.3	E935	G933-E935 VanDerWaalsContact C-N 3.29Å; G933-E935 PolarHBondContact O-N 3.4Å
934	N	44.2	Very low	37.9	Very low	167 Å²	167	142.4 Å²	142.4	89%	0.893	76%	0.762	S	S	*	*	S	Bend	trans	-82.3	5.7	-170.2	-71.2	4.6	0	0	0	115.1
935	E	40.5	Very low	37.8	Very low	159 Å²	159	142 Å²	142	74%	0.743	76%	0.761	S	S	*	*	S	Bend	trans	-126.8	147.8	177.1	-66.5	-171	167.7	0	0	111.9	G933	G933-E935 VanDerWaalsContact C-N 3.29Å; G933-E935 PolarHBondContact O-N 3.4Å
936	A	44.6	Very low	37.5	Very low	61 Å²	61	139.4 Å²	139.4	50%	0.504	76%	0.759	S	S	.	*			trans	-101.4	117	178.7	0	0	0	0	0	110.3	W931 Q938	W931-A936 HydrophobicContact CE3-CB 4.36Å; W931-A936 HydrophobicContact CH2-CB 4.47Å; W931-A936 HydrophobicContact CZ3-CB 4.1Å; A936-Q938 PolarHBondContact O-N 3.05Å
937	L	39.9	Very low	37.4	Very low	142 Å²	142	137 Å²	137	74%	0.743	76%	0.764	S	S	*	*			trans	-73.9	112.1	-174.6	-78.8	163.9	0	0	0	112.5	L939	L937-L939 PolarHBondContact O-N 3.3Å
938	Q	37.5	Very low	37.5	Very low	189 Å²	189	140.9 Å²	140.9	88%	0.883	77%	0.768	S	S	*	*			trans	-84.4	106.3	173.6	-168.9	177.6	30.1	0	0	110.9	A936	A936-Q938 PolarHBondContact O-N 3.05Å
939	L	35.9	Very low	37.3	Very low	156 Å²	156	137.4 Å²	137.4	82%	0.817	76%	0.756	S	S	*	*			trans	-86.7	126.9	174.1	-74.8	172.5	0	0	0	111.5	L937	L937-L939 PolarHBondContact O-N 3.3Å
940	P	37	Very low	36.7	Very low	120 Å²	120	142.6 Å²	142.6	78%	0.779	77%	0.765	S	S	*	*			trans	-78.1	133.9	177	31.3	-33.7	0	0	0	111.3
941	K	30.3	Very low	35.8	Very low	199 Å²	199	146.4 Å²	146.4	87%	0.865	77%	0.769	S	S	*	*			trans	-136.5	130.2	165.8	-85.7	-168.8	174.7	178.7	0	112.8
942	V	35.6	Very low	35.4	Very low	151 Å²	151	144.2 Å²	144.2	92%	0.915	78%	0.776	S	S	*	*			trans	-59.8	135.4	165.9	179.6	0	0	0	0	109.7
943	S	29.8	Very low	34.7	Very low	118 Å²	118	145.9 Å²	145.9	83%	0.825	79%	0.786	S	S	*	*			trans	-147	153.3	169.1	64.1	0	0	0	0	109.8
944	G	27.9	Very low	32.9	Very low	75 Å²	75	152.4 Å²	152.4	77%	0.773	80%	0.801	S	S	*	*			trans	-170.9	35.2	-164.2	0	0	0	0	0	118.3
945	R	27.2	Very low	32	Very low	218 Å²	218	155.3 Å²	155.3	82%	0.823	80%	0.8	S	S	*	*	S	Bend	trans	-167.8	143.6	155.6	-114.1	170.9	-171.5	-106	-2.2	114.3
946	Q	28.1	Very low	31.4	Very low	180 Å²	180	151.9 Å²	151.9	84%	0.841	79%	0.794	S	S	*	*			trans	63.4	129.1	156.4	-67.1	172.9	-56.2	0	0	120
947	G	27.1	Very low	30.4	Very low	76 Å²	76	156 Å²	156	78%	0.784	81%	0.807	S	S	*	*			trans	153.2	99.2	162.1	0	0	0	0	0	115.1
948	F	35.6	Very low	29.6	Very low	207 Å²	207	158.8 Å²	158.8	91%	0.908	81%	0.813	S	S	*	*			trans	-71.3	169.8	161.6	-76	-99.7	0	0	0	109.4
949	D	28.7	Very low	29	Very low	114 Å²	114	156.4 Å²	156.4	61%	0.61	81%	0.812	S	S	*	*			cis	-169.9	170	47.1	-160	15.6	0	0	0	114.7
950	R	29.7	Very low	28.2	Very low	203 Å²	203	156.7 Å²	156.7	77%	0.766	81%	0.809	S	S	*	*			trans	-5.4	152.4	164.7	-69.2	157	177.8	148.9	-15.8	122.4
951	R	26.7	Very low	27.6	Very low	234 Å²	234	157.8 Å²	157.8	88%	0.883	81%	0.807	S	S	*	*				164.3	168.2	112.8	-90.5	173.4	-163.9	-149.8	5.3	111.5
952	P	34.4	Very low	27.1	Very low	114 Å²	114	157.1 Å²	157.1	74%	0.74	81%	0.807	S	S	*	*			cis	-129.5	178.7	-37.7	38.9	-23.5	0	0	0	112.5
953	C	24.8	Very low	27	Very low	125 Å²	125	157.1 Å²	157.1	85%	0.845	80%	0.8	S	S	*	*			trans	-95	156.6	172.9	-55.2	0	0	0	0	112.7
954	H	25.9	Very low	26.8	Very low	192 Å²	192	157.1 Å²	157.1	89%	0.889	80%	0.797	S	S	*	*			trans	-141.9	157.9	168.4	-115.4	-93.9	0	0	0	113
955	R	24.9	Very low	26.6	Very low	229 Å²	229	157.3 Å²	157.3	86%	0.864	79%	0.792	S	S	*	*			trans	-80.9	165.4	170.8	-95.6	179.5	179.5	-177.8	-1	110.8
956	S	27	Very low	26.7	Very low	87 Å²	87	154.3 Å²	154.3	61%	0.608	79%	0.79	S	S	*	*			cis	-164.3	-176	9.1	33.5	0	0	0	0	112.6
957	D	24.9	Very low	26.6	Very low	147 Å²	147	152.4 Å²	152.4	79%	0.786	79%	0.785	S	S	*	*			trans	96.6	153.9	148.7	-54.4	-50.4	0	0	0	120.7
958	F	23.6	Very low	26.6	Very low	200 Å²	200	154.7 Å²	154.7	88%	0.877	79%	0.789	S	S	*	*			trans	-94.5	143.2	-169.8	-80.5	-112.7	0	0	0	112.7
959	T	22.8	Very low	26.1	Very low	140 Å²	140	152.2 Å²	152.2	86%	0.859	78%	0.781	S	S	*	*				-163.9	179.3	127.6	5.2	0	0	0	0	112.6
960	E	20.8	Very low	25.8	Very low	162 Å²	162	151.8 Å²	151.8	76%	0.757	79%	0.785	S	S	*	*			trans	-86.1	158.5	-156.6	-67.7	171.3	117.2	0	0	117.2
961	I	23.1	Very low	25.6	Very low	142 Å²	142	149.4 Å²	149.4	73%	0.728	79%	0.788	S	S	*	*			trans	45.9	120.9	138.3	-59	161.9	0	0	0	119.4
962	E	20.7	Very low	25.5	Very low	185 Å²	185	145.5 Å²	145.5	86%	0.864	78%	0.784	S	S	*	*				-161.8	159.1	117.4	-116.2	-178.4	-166.6	0	0	113.4
963	I	32.5	Very low	25.2	Very low	152 Å²	152	146.8 Å²	146.8	78%	0.779	79%	0.79	S	S	*	*			trans	-127.1	121.9	-178.2	-59.1	172.5	0	0	0	110.7	A965	I963-A965 HydrophobicContact CG2-CB 4.44Å
964	P	25.6	Very low	25.3	Very low	117 Å²	117	149.2 Å²	149.2	76%	0.76	79%	0.786	S	S	*	*			trans	-126	125.8	143.9	31.9	-19.3	0	0	0	110.1
965	A	23.6	Very low	25.4	Very low	80 Å²	80	147.6 Å²	147.6	66%	0.661	78%	0.784	S	S	*	*			cis	73.3	138	33.7	0	0	0	0	0	115.2	I963	I963-A965 HydrophobicContact CG2-CB 4.44Å
966	I	29.3	Very low	25.5	Very low	154 Å²	154	144 Å²	144	79%	0.79	78%	0.781	S	S	*	*			trans	72.5	92.8	174.6	-50.2	177.5	0	0	0	113.9
967	L	27.7	Very low	25.6	Very low	140 Å²	140	148.7 Å²	148.7	73%	0.733	79%	0.793	S	S	*	*				64.9	115.3	79.5	-72.8	163.2	0	0	0	115.7	Q969	L967-Q969 HydrophobicContact CD2-CG 4.3Å
968	S	25.6	Very low	25.8	Very low	124 Å²	124	147.4 Å²	147.4	87%	0.867	79%	0.793	S	S	*	*			trans	-129.8	137.5	143	58	0	0	0	0	108.3
969	Q	25.2	Very low	25.9	Very low	155 Å²	155	142.9 Å²	142.9	72%	0.724	79%	0.786	S	S	*	*			trans	-109.7	174	-162.3	-66	178	-38.8	0	0	113.8	L967	L967-Q969 HydrophobicContact CD2-CG 4.3Å
970	C	23.6	Very low	26.1	Very low	105 Å²	105	144.3 Å²	144.3	71%	0.709	78%	0.783	S	S	*	*			trans	78	139	161.9	-67.1	0	0	0	0	117.2
971	N	25.6	Very low	26.4	Very low	154 Å²	154	142.9 Å²	142.9	82%	0.824	79%	0.785	S	S	*	*			cis	-142.9	155.4	0.3	-114	-18.2	0	0	0	113.9
972	L	25	Very low	26.6	Very low	151 Å²	151	142.2 Å²	142.2	79%	0.791	78%	0.783	S	S	*	*			trans	-96.2	129.5	-176.4	-160.9	89.8	0	0	0	110.8
973	T	26.5	Very low	27.3	Very low	141 Å²	141	138.2 Å²	138.2	87%	0.865	78%	0.775	S	S	*	*			trans	-127.7	145.6	152.9	32.3	0	0	0	0	109
974	K	27.4	Very low	27.2	Very low	176 Å²	176	135.2 Å²	135.2	77%	0.765	77%	0.768	S	S	*	*			trans	-84.9	143.7	-166.3	-55.4	169.7	-176.6	173.6	0	110.5
975	D	27.1	Very low	28	Very low	158 Å²	158	137.6 Å²	137.6	85%	0.845	76%	0.763	S	S	*	*				-162	166.4	96.3	-91.3	-22.3	0	0	0	111.8
976	L	27.6	Very low	28.7	Very low	155 Å²	155	140.3 Å²	140.3	81%	0.812	76%	0.762	S	S	*	*			trans	-103.6	132.6	-167.4	-75.7	146.3	0	0	0	111.7
977	H	29.8	Very low	29.2	Very low	185 Å²	185	133.7 Å²	133.7	86%	0.856	73%	0.728	S	S	*	*				-172.3	129	126.6	-101.3	-69.5	0	0	0	110.1	S979	H977-S979 PolarHBondContact O-N 3.02Å
978	P	29.4	Very low	29.7	Very low	120 Å²	120	130.3 Å²	130.3	78%	0.779	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-79.5	120.4	179.4	30.5	-33	0	0	0	111.6
979	S	26	Very low	30	Very low	105 Å²	105	130.3 Å²	130.3	73%	0.734	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-75.2	125.4	171.7	54.8	0	0	0	0	111.5	H977 T981	H977-S979 PolarHBondContact O-N 3.02Å; S979-T981 PolarHBondContact O-N 3.48Å
980	Q	26.6	Very low	30.3	Very low	169 Å²	169	127.1 Å²	127.1	79%	0.79	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-69.2	117.8	168.4	-73.5	-178.6	-23.3	0	0	110.5	N982	Q980-N982 PolarHBondContact O-N 2.8Å; Q980-N982 VanDerWaalsContact O-N 3.09Å
981	T	26.7	Very low	30.6	Very low	132 Å²	132	131.6 Å²	131.6	81%	0.81	72%	0.715	S	S	*	*			trans	-81.3	80.1	175.8	50.3	0	0	0	0	111.1	S979 S983	S979-T981 PolarHBondContact O-N 3.48Å; T981-S983 PolarHBondContact O-N 2.91Å
982	N	26.1	Very low	30.8	Very low	128 Å²	128	129.4 Å²	129.4	68%	0.684	71%	0.713	S	S	*	*			trans	-76.7	113.3	174	-74.9	-18.2	0	0	0	111.1	Q980 S984	Q980-N982 PolarHBondContact O-N 2.8Å; Q980-N982 VanDerWaalsContact O-N 3.09Å; N982-S984 VanDerWaalsContact C-N 3.28Å; N982-S984 PolarHBondContact O-N 3.48Å
983	S	35.9	Very low	31.1	Very low	101 Å²	101	131.3 Å²	131.3	71%	0.706	72%	0.717	S	S	*	*			trans	-81.1	66.5	178.1	176.8	0	0	0	0	112.3	T981	T981-S983 PolarHBondContact O-N 2.91Å
984	S	30.1	Very low	31.2	Very low	90 Å²	90	130.2 Å²	130.2	63%	0.629	72%	0.715	S	S	*	*			trans	-98.7	130.5	170.6	55.6	0	0	0	0	110.7	N982	N982-S984 VanDerWaalsContact C-N 3.28Å; N982-S984 PolarHBondContact O-N 3.48Å
985	Y	42.3	Very low	31.8	Very low	167 Å²	167	127.9 Å²	127.9	66%	0.655	72%	0.718	S	S	*	*			trans	-120	98.1	179.1	-142	-78.1	0	0	0	108.2	L987	Y985-L987 PolarHBondContact O-N 3.31Å
986	Q	38.1	Very low	31.9	Very low	136 Å²	136	126.9 Å²	126.9	64%	0.636	72%	0.718	S	S	*	*			trans	-72.1	117.4	-171.6	-173.8	175.4	3.7	0	0	111.2
987	L	41.2	Very low	32	Very low	15 Å²	15	124.9 Å²	124.9	8%	0.079	72%	0.717	C	S	.	*			trans	-80.5	-16.4	-171.9	-67.9	169.3	0	0	0	115.2	L595 D644 Y646 Y985	L595-L987 HydrophobicContact CD2-CD2 4.28Å; D644-L987 WeakPolarHBondContact O-CB 3.44Å; D644-L987 WeakPolarHBondContact O-CD1 3.45Å; D644-L987 VanDerWaalsContact O-CG 3.27Å; D644-L987 WeakPolarHBondContact O-CG 3.31Å; D644-L987 PolarHBondContact O-N 3.43Å; Y646-L987 HydrophobicContact CD2-CD1 3.62Å; Y646-L987 HydrophobicContact CE2-CD1 3.57Å; Y985-L987 PolarHBondContact O-N 3.31Å
988	F	37.5	Very low	32.4	Very low	70 Å²	70	122.2 Å²	122.2	31%	0.307	72%	0.716	S	S	.	*	S	Bend	trans	-130.2	129.5	-173.7	-55.1	-61.7	0	0	0	112.3
989	P	32.8	Very low	32.3	Very low	124 Å²	124	122 Å²	122	81%	0.805	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-67.7	130.5	171.5	-17.4	30.9	0	0	0	111.2
990	A	29.9	Very low	32.4	Very low	88 Å²	88	122.4 Å²	122.4	73%	0.727	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-64.4	134.6	171.8	0	0	0	0	0	110.8	S992	A990-S992 PolarHBondContact O-N 3.1Å
991	Q	30.6	Very low	32.4	Very low	198 Å²	198	125 Å²	125	93%	0.925	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-71.2	129.5	177	-67.8	-173	0.7	0	0	111
992	S	30.8	Very low	32.5	Very low	109 Å²	109	126.2 Å²	126.2	76%	0.762	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-88.8	121.1	-171.1	57.3	0	0	0	0	113.7	A990	A990-S992 PolarHBondContact O-N 3.1Å
993	Q	29.9	Very low	32.5	Very low	190 Å²	190	124.6 Å²	124.6	89%	0.888	73%	0.728	S	S	*	*			trans	40.9	117.3	148.1	-64.2	-176.2	-11.5	0	0	120
994	S	28.3	Very low	32.1	Very low	118 Å²	118	125.9 Å²	125.9	83%	0.825	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-67.7	153.3	160.6	-58	0	0	0	0	112.4
995	P	40.4	Very low	32.4	Very low	128 Å²	128	127 Å²	127	83%	0.831	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-84.3	159.2	-164.2	32.9	-37.3	0	0	0	116
996	V	30.8	Very low	31.6	Very low	137 Å²	137	126.4 Å²	126.4	83%	0.83	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-76.3	148.8	177.9	175.3	0	0	0	0	112.4
997	S	27.7	Very low	31	Very low	113 Å²	113	128.2 Å²	128.2	79%	0.79	75%	0.746	S	S	*	*			trans	-149	157.8	163.4	-77.7	0	0	0	0	110.5
998	P	38.6	Very low	30.2	Very low	129 Å²	129	133.4 Å²	133.4	84%	0.838	77%	0.77	S	S	*	*			trans	-110.5	-170.6	-133.2	41	-37	0	0	0	117.5
999	S	27.6	Very low	29.6	Very low	116 Å²	116	137.1 Å²	137.1	81%	0.811	79%	0.788	S	S	*	*			trans	-90.8	152.4	-157	58.7	0	0	0	0	119
1000	S	27.7	Very low	29.2	Very low	112 Å²	112	138.8 Å²	138.8	78%	0.783	79%	0.785	S	S	*	*			trans	-150	108.8	147	55.4	0	0	0	0	109.9
1001	R	28	Very low	29	Very low	224 Å²	224	138.9 Å²	138.9	85%	0.845	78%	0.781	S	S	*	*				64.3	109.5	93.4	-80.3	-170	174.3	-172.7	-0.8	116.4
1002	N	28	Very low	28.7	Very low	157 Å²	157	134.5 Å²	134.5	84%	0.84	77%	0.772	S	S	*	*			trans	56	140.9	140.6	-49.4	4.7	0	0	0	118.5
1003	A	25.7	Very low	28.4	Very low	94 Å²	94	137 Å²	137	78%	0.777	77%	0.772	S	S	*	*			cis	-157.3	178.6	26.4	0	0	0	0	0	113.1
1004	V	28.5	Very low	28.2	Very low	129 Å²	129	134.4 Å²	134.4	78%	0.782	76%	0.762	S	S	*	*			trans	-128.8	132.6	172.7	173.4	0	0	0	0	109.2
1005	P	36.7	Very low	28	Very low	114 Å²	114	140.2 Å²	140.2	74%	0.74	77%	0.766	S	S	*	*				-127.7	137.1	119.5	5.1	16.8	0	0	0	110.6
1006	Q	25.7	Very low	27.4	Very low	154 Å²	154	141.4 Å²	141.4	72%	0.72	76%	0.76	S	S	*	*				87.2	147.5	59.4	-88.1	-165.2	-38	0	0	115.4
1007	F	23.7	Very low	27.1	Very low	173 Å²	173	144 Å²	144	76%	0.759	76%	0.76	S	S	*	*			trans	72	153.4	177.4	-63.9	-88	0	0	0	118.1
1008	Q	24.7	Very low	27	Very low	125 Å²	125	147.2 Å²	147.2	58%	0.584	76%	0.757	S	S	*	*			cis	174.1	145.2	-45.5	163.4	168.7	-6.7	0	0	108.5
1009	E	25.6	Very low	26.5	Very low	147 Å²	147	149.1 Å²	149.1	69%	0.687	75%	0.754	S	S	*	*			trans	60.5	177.4	164	-83.3	157.5	-155.9	0	0	117.6
1010	Q	24.7	Very low	26.5	Very low	160 Å²	160	146.9 Å²	146.9	75%	0.748	75%	0.75	S	S	*	*				-152.1	166.6	-53.3	-119.8	-179.3	23.9	0	0	109.5
1011	S	25.1	Very low	26.6	Very low	90 Å²	90	150.3 Å²	150.3	63%	0.629	75%	0.751	S	S	*	*			trans	36.1	100.3	150.3	66.4	0	0	0	0	122
1012	S	25	Very low	26.6	Very low	105 Å²	105	146.1 Å²	146.1	73%	0.734	75%	0.745	S	S	*	*				77.9	155	113.6	79.5	0	0	0	0	124
1013	Q	24.3	Very low	26.5	Very low	163 Å²	163	144.9 Å²	144.9	76%	0.762	74%	0.738	S	S	*	*			trans	86.3	106.8	155.4	-63.6	-162.5	5.8	0	0	122.8
1014	I	25.2	Very low	26.7	Very low	135 Å²	135	145.3 Å²	145.3	69%	0.692	73%	0.73	S	S	*	*				59.1	114.3	121.4	-56.7	162.3	0	0	0	119.3
1015	R	24.7	Very low	26.6	Very low	239 Å²	239	146.5 Å²	146.5	90%	0.902	73%	0.727	S	S	*	*				-158.9	156	111.5	-130.1	175.1	178	168.4	1.5	114.7
1016	E	26.8	Very low	26.1	Very low	153 Å²	153	146.8 Å²	146.8	72%	0.715	72%	0.723	S	S	*	*			trans	-97.9	168.8	-170.9	-43.6	140.4	102.5	0	0	113.5
1017	K	24.4	Very low	26.1	Very low	191 Å²	191	143.8 Å²	143.8	83%	0.83	72%	0.718	S	S	*	*			trans	-161.1	117.3	133.4	-114.8	161.7	-177.8	-178	0	113.4
1018	Y	27.5	Very low	26.2	Very low	181 Å²	181	144 Å²	144	71%	0.71	72%	0.724	S	S	*	*			trans	36.2	144.4	130.9	-70.3	-83.3	0	0	0	120.7
1019	Q	27.8	Very low	26.2	Very low	169 Å²	169	146.7 Å²	146.7	79%	0.79	74%	0.736	S	S	*	*			cis	-164.3	130.4	20.2	-153.1	138.6	5.6	0	0	115.7
1020	G	26.7	Very low	27.1	Very low	70 Å²	70	143.9 Å²	143.9	72%	0.722	73%	0.731	S	S	*	*			trans	73.3	165.7	144.7	0	0	0	0	0	121.1
1021	K	29.7	Very low	27.1	Very low	183 Å²	183	144.8 Å²	144.8	80%	0.796	74%	0.735	S	S	*	*			cis	-170.6	142.8	-10.8	-132.9	-168.7	173.9	-174.6	0	112.6
1022	L	27.6	Very low	27	Very low	137 Å²	137	146.6 Å²	146.6	72%	0.717	75%	0.748	S	S	*	*			trans	67.3	152.7	160.9	-49.9	169.3	0	0	0	115.4
1023	N	27.1	Very low	27	Very low	131 Å²	131	146.6 Å²	146.6	70%	0.701	75%	0.748	S	S	*	*			cis	-169.6	167.1	-4.1	-113.6	23.9	0	0	0	108.5
1024	V	28.7	Very low	26.9	Very low	102 Å²	102	147.5 Å²	147.5	62%	0.618	75%	0.754	S	S	*	*			cis	-172	140.4	-22.9	114.5	0	0	0	0	109.6
1025	H	27.4	Very low	26.8	Very low	154 Å²	154	146.5 Å²	146.5	71%	0.713	76%	0.758	S	S	*	*			trans	61	162.3	163.9	-77.4	-114.3	0	0	0	119.4
1026	D	25.9	Very low	26.9	Very low	121 Å²	121	143 Å²	143	65%	0.647	76%	0.755	S	S	*	*			cis	-148.8	131.4	-3.9	-116.6	-42.5	0	0	0	107
1027	S	26.1	Very low	26.9	Very low	90 Å²	90	142.9 Å²	142.9	63%	0.629	76%	0.76	S	S	*	*				82.5	158.1	81.2	83.9	0	0	0	0	117.9
1028	M	24.5	Very low	26.9	Very low	178 Å²	178	141.6 Å²	141.6	88%	0.877	76%	0.756	S	S	*	*			trans	85.7	155.2	175.3	-61.9	-75.4	93.4	0	0	120.9
1029	Q	24.6	Very low	26.9	Very low	181 Å²	181	137.1 Å²	137.1	85%	0.846	75%	0.751	S	S	*	*			trans	-136.2	-174.2	-167.7	-128.1	-172.8	4.1	0	0	107.3
1030	P	44.7	Very low	26.8	Very low	89 Å²	89	136.3 Å²	136.3	58%	0.578	75%	0.747	S	S	*	*			cis	-136	-164.4	-10.9	39.1	-18	0	0	0	114.3
1031	E	24.5	Very low	26.8	Very low	179 Å²	179	139 Å²	139	84%	0.836	74%	0.744	S	S	*	*			trans	50.1	124.3	150.7	-75	167.2	-147	0	0	121.2
1032	S	24	Very low	26.7	Very low	127 Å²	127	137 Å²	137	89%	0.888	74%	0.741	S	S	*	*				178.1	-174.7	81.5	44.7	0	0	0	0	111.5
1033	S	24.8	Very low	26.8	Very low	105 Å²	105	138.1 Å²	138.1	73%	0.734	74%	0.742	S	S	*	*			trans	-128.4	157.9	-162.6	59.2	0	0	0	0	116.1
1034	M	23.3	Very low	26.7	Very low	183 Å²	183	140 Å²	140	90%	0.901	74%	0.744	S	S	*	*			trans	66	160.6	176.9	-66	-177.1	157.3	0	0	114.1
1035	C	21.5	Very low	26.6	Very low	113 Å²	113	141.7 Å²	141.7	76%	0.764	75%	0.75	S	S	*	*			cis	-144.6	167.6	6	-146.8	0	0	0	0	110
1036	I	26.9	Very low	26.6	Very low	165 Å²	165	138.8 Å²	138.8	85%	0.846	75%	0.752	S	S	*	*			trans	-120.6	136	165.7	-68	-177.9	0	0	0	109.1
1037	N	26.6	Very low	26.6	Very low	151 Å²	151	141.2 Å²	141.2	81%	0.807	76%	0.763	S	S	*	*			trans	-109.9	168.3	-173.2	-144.6	-12.2	0	0	0	112
1038	H	25.7	Very low	26.7	Very low	165 Å²	165	147.4 Å²	147.4	76%	0.764	77%	0.773	S	S	*	*			trans	-56.5	159.9	-179.8	-100.7	-96.2	0	0	0	116.1
1039	S	26.8	Very low	27	Very low	86 Å²	86	144.4 Å²	144.4	60%	0.601	76%	0.76	S	S	*	*			trans	72.4	152.9	144.6	-77.4	0	0	0	0	118.3
1040	E	25.6	Very low	27.1	Very low	152 Å²	152	143.3 Å²	143.3	71%	0.71	75%	0.753	S	S	*	*			cis	-169.3	168.6	-13.5	-119.1	176	126.2	0	0	111.3
1041	I	27	Very low	26.3	Very low	127 Å²	127	148.8 Å²	148.8	65%	0.651	77%	0.77	S	S	*	*			trans	69.3	131.8	138.6	-77.6	173.2	0	0	0	123.1
1042	I	27.4	Very low	26.6	Very low	142 Å²	142	148.2 Å²	148.2	73%	0.728	77%	0.768	S	S	*	*			trans	77	112.6	149.9	-80.2	169.9	0	0	0	122.5
1043	H	28.8	Very low	26.7	Very low	160 Å²	160	149.7 Å²	149.7	74%	0.741	77%	0.765	S	S	*	*			trans	44.9	136.7	136.2	-75.3	-61	0	0	0	125.1
1044	K	26.8	Very low	26.8	Very low	169 Å²	169	153.5 Å²	153.5	74%	0.735	77%	0.77	S	S	*	*				107.6	144.8	121.1	-99.5	175.1	-179.2	173.6	0	119.5
1045	N	25.2	Very low	28.2	Very low	139 Å²	139	150.9 Å²	150.9	74%	0.743	77%	0.767	S	S	*	*			trans	69.6	97.9	154.4	-60	-8.6	0	0	0	118.8
1046	A	27.1	Very low	28.4	Very low	92 Å²	92	148.8 Å²	148.8	76%	0.76	76%	0.764	S	S	*	*				29.2	147.6	117.2	0	0	0	0	0	121
1047	I	26.7	Very low	28.4	Very low	172 Å²	172	152.9 Å²	152.9	88%	0.882	77%	0.769	S	S	*	*				-161.1	154.6	125	-106.8	154.7	0	0	0	112.2
1048	R	29.3	Very low	28.4	Very low	220 Å²	220	155.9 Å²	155.9	83%	0.83	77%	0.769	S	S	*	*			trans	-70.5	170.6	173.6	-61.4	174.6	168	152.7	-6.3	110.9
1049	D	29.4	Very low	28.6	Very low	115 Å²	115	154.8 Å²	154.8	62%	0.615	77%	0.769	S	S	*	*				165.6	168.3	78.3	-119	2	0	0	0	104.8
1050	K	27.8	Very low	28.7	Very low	159 Å²	159	154.5 Å²	154.5	69%	0.691	77%	0.772	S	S	*	*			cis	-164.1	151.6	22.4	-136.4	149.8	-165.2	141.4	0	108.7
1051	H	27.5	Very low	28.8	Very low	203 Å²	203	154.4 Å²	154.4	94%	0.94	77%	0.774	S	S	*	*			trans	-145.2	159.9	151.1	-99.6	-76.2	0	0	0	109.7
1052	Q	30.5	Very low	29	Very low	168 Å²	168	156.9 Å²	156.9	79%	0.785	78%	0.782	S	S	*	*			trans	-117.1	149.7	-160.2	-109.2	-176	-2.6	0	0	114.4
1053	L	26.8	Very low	29.2	Very low	158 Å²	158	157.5 Å²	157.5	83%	0.827	78%	0.782	S	S	*	*			trans	81.2	121.3	150.8	-67	161.9	0	0	0	120.8
1054	H	26.1	Very low	29	Very low	184 Å²	184	160 Å²	160	85%	0.852	79%	0.79	S	S	*	*			trans	-74.2	-171.5	162.6	-81.3	-48	0	0	0	112
1055	P	52.4	Low	28.9	Very low	128 Å²	128	157 Å²	157	83%	0.831	79%	0.79	S	S	*	*			cis	-137.8	179.7	4.9	35.7	-14.9	0	0	0	117.2
1056	G	27.2	Very low	29.8	Very low	69 Å²	69	156.3 Å²	156.3	71%	0.711	79%	0.794	S	S	*	*			trans	162.7	84.3	146.5	0	0	0	0	0	122.3
1057	R	26.3	Very low	29.8	Very low	251 Å²	251	157 Å²	157	95%	0.947	79%	0.793	S	S	*	*			trans	64	165.2	149.2	-65.2	-177.4	176.7	-164.2	0	119.9
1058	R	27.1	Very low	29.7	Very low	214 Å²	214	157.1 Å²	157.1	81%	0.808	80%	0.795	S	S	*	*			cis	-175.1	150	-50	-124.3	-169.2	-179.1	174.9	0.7	110.5
1059	N	28.9	Very low	29.8	Very low	142 Å²	142	154.1 Å²	154.1	76%	0.759	79%	0.794	S	S	*	*			trans	67.9	161.7	154.5	-66.9	16.8	0	0	0	117.6
1060	A	29.1	Very low	30.3	Very low	81 Å²	81	153.5 Å²	153.5	67%	0.669	80%	0.796	S	S	*	*			cis	178.8	167.3	-21.9	0	0	0	0	0	107.1
1061	M	28.5	Very low	30.2	Very low	150 Å²	150	156.4 Å²	156.4	74%	0.739	81%	0.805	S	S	*	*			cis	-169	155.9	-12.4	-114.2	169.8	149.5	0	0	107.8
1062	H	30.3	Very low	30.2	Very low	178 Å²	178	152.9 Å²	152.9	82%	0.824	80%	0.798	S	S	*	*				162.9	165.6	124.9	-92	-66.8	0	0	0	115.6
1063	H	30.8	Very low	30.1	Very low	156 Å²	156	150.6 Å²	150.6	72%	0.722	80%	0.797	S	S	*	*			trans	-115.7	164.6	-169.6	-58.8	-106.5	0	0	0	113.1
1064	K	25.2	Very low	30.1	Very low	211 Å²	211	148.3 Å²	148.3	92%	0.917	80%	0.801	S	S	*	*				-161.1	159.5	123.8	-109	169	-175	-178.9	0	112.9
1065	S	24.6	Very low	30.1	Very low	106 Å²	106	144.3 Å²	144.3	74%	0.741	79%	0.794	S	S	*	*			trans	-125.2	-176.5	-177.3	-34.7	0	0	0	0	108.7
1066	P	44	Very low	28.8	Very low	126 Å²	126	145.8 Å²	145.8	82%	0.818	79%	0.794	S	S	*	*			cis	-134	-153.4	1.8	42.4	-22.1	0	0	0	114
1067	S	26.6	Very low	28.6	Very low	107 Å²	107	149 Å²	149	75%	0.748	80%	0.8	S	S	*	*			trans	-93.9	159.1	-166.8	54.7	0	0	0	0	117.2
1068	L	26.2	Very low	28.5	Very low	174 Å²	174	145.7 Å²	145.7	91%	0.911	80%	0.795	S	S	*	*			trans	-157.9	155.2	138.5	-109.9	164.1	0	0	0	112.2
1069	L	30.1	Very low	28.2	Very low	156 Å²	156	141 Å²	141	82%	0.817	79%	0.794	S	S	*	*			trans	-104.7	174.7	178.4	-89.5	164.6	0	0	0	109.2
1070	P	41.3	Very low	28.1	Very low	102 Å²	102	142.4 Å²	142.4	66%	0.662	80%	0.795	S	S	*	*			cis	-146.3	-170.3	28	33.2	-7	0	0	0	118.1
1071	Y	25.7	Very low	27.8	Very low	221 Å²	221	147.1 Å²	147.1	87%	0.867	80%	0.803	S	S	*	*			trans	79.8	139.2	165.1	-80.9	-76.9	0	0	0	120.8
1072	T	26.5	Very low	27.9	Very low	129 Å²	129	145.6 Å²	145.6	79%	0.791	81%	0.807	S	S	*	*			trans	-103.6	140.3	-174.5	47.5	0	0	0	0	113
1073	P	28.6	Very low	27.6	Very low	119 Å²	119	142.1 Å²	142.1	77%	0.773	80%	0.798	S	S	*	*			trans	-113.8	149.9	141.1	35.4	-27.2	0	0	0	110.7
1074	A	27.1	Very low	27.2	Very low	110 Å²	110	139.5 Å²	139.5	91%	0.909	80%	0.798	S	S	*	*			trans	-104.9	108.4	-179.1	0	0	0	0	0	111.3
1075	S	25.2	Very low	27.3	Very low	100 Å²	100	141 Å²	141	70%	0.699	80%	0.798	S	S	*	*			trans	-154.8	122.2	169	63.4	0	0	0	0	112.9
1076	L	25.5	Very low	27.3	Very low	160 Å²	160	142.5 Å²	142.5	84%	0.838	80%	0.796	S	S	*	*			trans	40.2	108.1	145.1	-67.2	159.2	0	0	0	119.1
1077	T	22.5	Very low	26.6	Very low	137 Å²	137	142.4 Å²	142.4	84%	0.84	79%	0.793	S	S	*	*				-176.8	153.9	107.7	23.9	0	0	0	0	113.5
1078	H	24.5	Very low	26.4	Very low	181 Å²	181	146.2 Å²	146.2	84%	0.838	80%	0.799	S	S	*	*			trans	33.8	126	159.6	-96.7	-40.9	0	0	0	121.7
1079	C	20.3	Very low	26.4	Very low	116 Å²	116	147.3 Å²	147.3	78%	0.784	80%	0.796	S	S	*	*				-139.5	173.9	114	-144.4	0	0	0	0	111.3
1080	Q	27.2	Very low	26.2	Very low	170 Å²	170	148.4 Å²	148.4	79%	0.794	80%	0.797	S	S	*	*			trans	-73.4	143.4	-166.2	-59	159.3	-45.6	0	0	113.5
1081	H	22.3	Very low	25.4	Very low	180 Å²	180	148.9 Å²	148.9	83%	0.833	80%	0.8	S	S	*	*			trans	-144.9	137.3	151.1	-99.6	-81.8	0	0	0	111.1
1082	S	31.4	Very low	25.5	Very low	118 Å²	118	144.5 Å²	144.5	83%	0.825	80%	0.799	S	S	*	*			trans	-76	130.2	166.9	52.1	0	0	0	0	110
1083	V	23.1	Very low	25.6	Very low	105 Å²	105	145.6 Å²	145.6	64%	0.636	81%	0.806	S	S	*	*			trans	-125.2	128.3	180	-179.6	0	0	0	0	110.2
1084	S	23.6	Very low	25.6	Very low	102 Å²	102	142.3 Å²	142.3	71%	0.713	79%	0.794	S	S	*	*			trans	-81	125.1	168.1	52.5	0	0	0	0	110	I1086	S1084-I1086 PolarHBondContact O-N 3.19Å
1085	W	26.6	Very low	25.7	Very low	241 Å²	241	142.8 Å²	142.8	91%	0.913	78%	0.781	S	S	*	*			trans	-84.2	100.4	-175.6	-69.2	69.3	0	0	0	110.8
1086	I	25.4	Very low	26.1	Very low	139 Å²	139	144.1 Å²	144.1	71%	0.713	78%	0.78	S	S	*	*			trans	-77.1	137.3	167.1	-67.2	174.6	0	0	0	108	S1084 E1088	S1084-I1086 PolarHBondContact O-N 3.19Å; I1086-E1088 PolarHBondContact O-N 3.39Å
1087	V	28.9	Very low	26.3	Very low	123 Å²	123	139.8 Å²	139.8	75%	0.745	76%	0.763	S	S	*	*			trans	-81.7	114.1	179	177.3	0	0	0	0	109.8	K1089	V1087-K1089 PolarHBondContact O-N 2.95Å
1088	E	23.1	Very low	26.8	Very low	187 Å²	187	138.2 Å²	138.2	87%	0.874	75%	0.749	S	S	*	*			trans	-64.2	123.8	166	-67.4	-173.4	146.3	0	0	110	I1086	I1086-E1088 PolarHBondContact O-N 3.39Å
1089	K	25.8	Very low	27.3	Very low	197 Å²	197	132 Å²	132	86%	0.857	72%	0.724	S	S	*	*			trans	-97.3	100.5	174.2	-72.7	-179.4	178.9	175.3	0	109.8	V1087	V1087-K1089 PolarHBondContact O-N 2.95Å
1090	Q	24.7	Very low	27.8	Very low	179 Å²	179	130.1 Å²	130.1	84%	0.836	72%	0.717	S	S	*	*			trans	-70.5	144.8	156.9	-72.4	-175.3	-17.7	0	0	109.8
1091	P	24.7	Very low	28	Very low	112 Å²	112	129.2 Å²	129.2	73%	0.727	72%	0.716	S	S	*	*			trans	-67.2	138.8	177	28.1	-34.2	0	0	0	110.8	T1093	P1091-T1093 PolarHBondContact O-N 3.4Å
1092	P	27.8	Very low	28.6	Very low	129 Å²	129	124 Å²	124	84%	0.838	69%	0.693	S	S	*	*			trans	-78.5	105	-176.9	30.6	-33.9	0	0	0	111.8	G1094	P1092-G1094 PolarHBondContact O-N 2.95Å; P1092-G1094 VanDerWaalsContact O-N 3.08Å
1093	T	29.2	Very low	29	Very low	153 Å²	153	122.1 Å²	122.1	94%	0.939	67%	0.673	S	S	*	*			trans	-70	95.9	164.9	34.7	0	0	0	0	110.3	P1091	P1091-T1093 PolarHBondContact O-N 3.4Å
1094	G	27.7	Very low	29.5	Very low	50 Å²	50	119.1 Å²	119.1	52%	0.515	66%	0.658	S	S	.	*			trans	-132.5	129.8	178.1	0	0	0	0	0	112.2	P1092 N1096	P1092-G1094 PolarHBondContact O-N 2.95Å; P1092-G1094 VanDerWaalsContact O-N 3.08Å; G1094-N1096 PolarHBondContact O-N 2.97Å; G1094-N1096 PolarHBondContact O-ND2 3.19Å
1095	D	29.7	Very low	30	Very low	119 Å²	119	121.5 Å²	121.5	64%	0.636	66%	0.656	S	S	*	*			trans	-72.9	109.9	179.5	-168.4	-17.2	0	0	0	110.7	R13 S1097	R13-D1095 IonicContact NH1-OD1 3.91Å; R13-D1095 IonicContact NH2-OD1 2.75Å; D1095-S1097 WeakPolarHBondContact OD1-CB 3.33Å; D1095-S1097 PolarHBondContact OD1-N 3.38Å; D1095-S1097 VanDerWaalsContact OD1-N 3.15Å; D1095-S1097 PolarHBondContact OD1-OG 3.36Å
1096	N	33.6	Very low	30.4	Very low	129 Å²	129	114 Å²	114	69%	0.69	64%	0.64	S	S	*	*			trans	-110	38.8	-178.7	-73.2	-52.1	0	0	0	111.9	G1094 L1098	G1094-N1096 PolarHBondContact O-N 2.97Å; G1094-N1096 PolarHBondContact O-ND2 3.19Å; N1096-L1098 PolarHBondContact O-N 3.3Å
1097	S	29.2	Very low	30.7	Very low	69 Å²	69	111.3 Å²	111.3	48%	0.483	63%	0.627	S	S	.	*	P	Polyproline II helix	trans	-63.4	125	177.2	34.4	0	0	0	0	112.6	D1095	D1095-S1097 WeakPolarHBondContact OD1-CB 3.33Å; D1095-S1097 PolarHBondContact OD1-N 3.38Å; D1095-S1097 VanDerWaalsContact OD1-N 3.15Å; D1095-S1097 PolarHBondContact OD1-OG 3.36Å
1098	L	34.1	Very low	30.8	Very low	103 Å²	103	109.7 Å²	109.7	54%	0.539	62%	0.621	S	S	.	*	P	Polyproline II helix	trans	-90.1	133.6	176.6	-66.6	174.2	0	0	0	110.6	N1096 Q1102	N1096-L1098 PolarHBondContact O-N 3.3Å; L1098-Q1102 HydrophobicContact CB-CB 4.4Å; L1098-Q1102 HydrophobicContact CD2-CB 4.41Å; L1098-Q1102 VanDerWaalsContact CD2-NE2 3.3Å
1099	T	34.2	Very low	31.1	Very low	51 Å²	51	107.5 Å²	107.5	31%	0.313	61%	0.611	S	S	.	*	P	Polyproline II helix	trans	-69.8	153.5	173.8	62.2	0	0	0	0	111.3	L1101 Q1102 I1103	T1099-L1101 PolarHBondContact O-N 3.05Å; T1099-Q1102 WeakPolarHBondContact O-CB 3.37Å; T1099-Q1102 PolarHBondContact O-N 3.04Å; T1099-Q1102 PolarHBondContact OG1-OE1 3Å; T1099-I1103 PolarHBondContact O-N 3.39Å
1100	A	31	Very low	31.2	Very low	76 Å²	76	104 Å²	104	63%	0.628	61%	0.605	S	S	*	*	H	α-helix	trans	-57.2	-25.1	179.7	0	0	0	0	0	113.8	Q1102 I1103 A1104	A1100-Q1102 VanDerWaalsContact C-N 3.31Å; A1100-I1103 PolarHBondContact O-N 2.83Å; A1100-A1104 PolarHBondContact O-N 3.21Å
1101	L	31.6	Very low	31.3	Very low	151 Å²	151	98.9 Å²	98.9	79%	0.791	58%	0.584	S	S	*	*	H	α-helix	trans	-71.4	-24.5	175.1	-152.3	78.4	0	0	0	113	T1099	T1099-L1101 PolarHBondContact O-N 3.05Å
1102	Q	36	Very low	31.2	Very low	71 Å²	71	98.7 Å²	98.7	33%	0.332	57%	0.572	S	S	.	*	H	α-helix	trans	-79.9	-40	173.2	-65.8	165.2	-90.6	0	0	110.6	L1098 T1099 A1100 A1104 K1105 S1106	L1098-Q1102 HydrophobicContact CB-CB 4.4Å; L1098-Q1102 HydrophobicContact CD2-CB 4.41Å; L1098-Q1102 VanDerWaalsContact CD2-NE2 3.3Å; T1099-Q1102 WeakPolarHBondContact O-CB 3.37Å; T1099-Q1102 PolarHBondContact O-N 3.04Å; T1099-Q1102 PolarHBondContact OG1-OE1 3Å; A1100-Q1102 VanDerWaalsContact C-N 3.31Å; Q1102-A1104 VanDerWaalsContact C-N 3.25Å; Q1102-A1104 PolarHBondContact O-N 3.08Å; Q1102-K1105 PolarHBondContact O-N 2.97Å; Q1102-S1106 PolarHBondContact O-N 3.24Å
1103	I	38.3	Very low	31.1	Very low	79 Å²	79	97.6 Å²	97.6	41%	0.405	55%	0.554	S	S	.	*	H	α-helix	trans	-57.3	-41.3	172.5	-58.1	177	0	0	0	110.5	T1099 A1100 K1105 S1106	T1099-I1103 PolarHBondContact O-N 3.39Å; A1100-I1103 PolarHBondContact O-N 2.83Å; I1103-K1105 PolarHBondContact O-N 3.21Å; I1103-S1106 PolarHBondContact O-N 3.06Å
1104	A	34.8	Very low	30.9	Very low	41 Å²	41	96 Å²	96	34%	0.339	55%	0.546	S	S	.	.	H	α-helix	trans	-58	-27.5	175.4	0	0	0	0	0	114.4	T69 A1100 Q1102	T69-A1104 HydrophobicContact CG2-CB 3.76Å; A1100-A1104 PolarHBondContact O-N 3.21Å; Q1102-A1104 VanDerWaalsContact C-N 3.25Å; Q1102-A1104 PolarHBondContact O-N 3.08Å
1105	K	33.2	Very low	30.7	Very low	153 Å²	153	99.4 Å²	99.4	67%	0.665	56%	0.562	S	S	*	*	H	α-helix	trans	-87.3	-25.8	-178	-161	177.7	-180	-172.2	0	113.1	Q1102 I1103 L1107 S1108	Q1102-K1105 PolarHBondContact O-N 2.97Å; I1103-K1105 PolarHBondContact O-N 3.21Å; K1105-L1107 PolarHBondContact O-N 3.45Å; K1105-S1108 PolarHBondContact O-OG 3.02Å
1106	S	34.4	Very low	30.5	Very low	83 Å²	83	103.6 Å²	103.6	58%	0.58	58%	0.575	S	S	*	*	H	α-helix	trans	-74	-12.3	174.4	-59.5	0	0	0	0	113.6	Q1102 I1103 S1108	Q1102-S1106 PolarHBondContact O-N 3.24Å; I1103-S1106 PolarHBondContact O-N 3.06Å; S1106-S1108 VanDerWaalsContact C-N 3.33Å; S1106-S1108 PolarHBondContact O-N 2.93Å
1107	L	31.7	Very low	30.1	Very low	83 Å²	83	106.8 Å²	106.8	44%	0.435	59%	0.586	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.5	6.1	-176.9	-72.6	167.7	0	0	0	114.5	T69 K1105	T69-L1107 HydrophobicContact CG2-CD1 4.25Å; T69-L1107 WeakPolarHBondContact OG1-CD1 3.32Å; K1105-L1107 PolarHBondContact O-N 3.45Å
1108	S	31.9	Very low	29.9	Very low	89 Å²	89	115 Å²	115	62%	0.622	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.1	-4.8	175.9	58	0	0	0	0	115.2	K1105 S1106	K1105-S1108 PolarHBondContact O-OG 3.02Å; S1106-S1108 VanDerWaalsContact C-N 3.33Å; S1106-S1108 PolarHBondContact O-N 2.93Å
1109	E	29.3	Very low	29.5	Very low	140 Å²	140	113.5 Å²	113.5	65%	0.654	62%	0.616	S	S	*	*	S	Bend	trans	-137.1	56.2	-167.6	-68.5	178	-167.9	0	0	113.2
1110	V	28.1	Very low	29.3	Very low	123 Å²	123	117 Å²	117	75%	0.745	64%	0.639	S	S	*	*			trans	-141.9	118.3	157.8	-170.8	0	0	0	0	109.2
1111	D	25.8	Very low	29	Very low	72 Å²	72	118.7 Å²	118.7	39%	0.385	65%	0.646	S	S	.	*			trans	-79.8	158.5	-176.7	-110.5	-102.8	0	0	0	113.7	C1193 R1203	D1111-C1193 PolarHBondContact OD1-SG 2.71Å; D1111-C1193 WeakPolarHBondContact OD2-CB 3.39Å; D1111-C1193 PolarHBondContact OD2-SG 3.47Å; D1111-R1203 IonicContact OD1-CZ 2.68Å; D1111-R1203 IonicContact OD1-NH1 2.83Å; D1111-R1203 PolarHBondContact OD1-NH1 3.04Å; D1111-R1203 IonicContact OD1-NH2 3.66Å; D1111-R1203 PolarHBondContact OD1-NH2 3.28Å
1112	F	22.6	Very low	28.7	Very low	109 Å²	109	115.8 Å²	115.8	48%	0.478	64%	0.644	S	S	.	*			trans	-113.3	122.5	168.8	-105.1	-65	0	0	0	114.9	H91	H91-F1112 HydrophobicContact CB-CD1 4.29Å; H91-F1112 HydrophobicContact CB-CD2 4.1Å; H91-F1112 HydrophobicContact CB-CE1 4.14Å; H91-F1112 HydrophobicContact CB-CE2 3.84Å; H91-F1112 HydrophobicContact CB-CG 4.39Å; H91-F1112 HydrophobicContact CB-CZ 3.95Å; H91-F1112 AromaticContact CD2-CD1 3.86Å; H91-F1112 AromaticContact CD2-CE1 3.68Å; H91-F1112 AromaticContact CE1-CE1 3.11Å; H91-F1112 WeakPolarHBondContact CE1-CE1 3.24Å; H91-F1112 AromaticContact CE1-CZ 3.5Å; H91-F1112 AromaticContact CG-CD1 3.74Å; H91-F1112 AromaticContact CG-CE1 3.34Å; H91-F1112 AromaticContact CG-CE2 3.9Å; H91-F1112 AromaticContact CG-CZ 3.46Å; H91-F1112 VanDerWaalsContact CG-CZ 3.46Å; H91-F1112 AromaticContact ND1-CD1 3.86Å; H91-F1112 AromaticContact ND1-CE1 2.97Å; H91-F1112 WeakPolarHBondContact ND1-CE1 3.47Å; H91-F1112 AromaticContact ND1-CE2 3.72Å; H91-F1112 AromaticContact ND1-CZ 2.91Å; H91-F1112 WeakPolarHBondContact ND1-CZ 3.27Å; H91-F1112 AromaticContact NE2-CE1 3.55Å
1113	F	26.2	Very low	28.1	Very low	106 Å²	106	118.8 Å²	118.8	47%	0.465	67%	0.667	S	S	.	*			trans	-117.1	120.8	164.9	-96.6	-66.8	0	0	0	111.5	E1189 P1200 R1203	F1113-E1189 HydrophobicContact CE2-CG 4.03Å; F1113-E1189 VanDerWaalsContact CZ-OE1 3.29Å; F1113-E1189 WeakPolarHBondContact CZ-OE1 3.44Å; F1113-P1200 HydrophobicContact CE1-CB 4.26Å; F1113-P1200 HydrophobicContact CZ-CB 4.23Å; F1113-R1203 VanDerWaalsContact CE2-NH2 3.32Å
1114	P	26.2	Very low	27.5	Very low	119 Å²	119	126 Å²	126	77%	0.773	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-91.7	137.6	179.5	34.1	-33.1	0	0	0	112.5
1115	S	23.2	Very low	27.1	Very low	122 Å²	122	131.3 Å²	131.3	85%	0.853	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-96.7	146.1	161.4	50.6	0	0	0	0	110.6
1116	K	25.2	Very low	26.8	Very low	206 Å²	206	134.8 Å²	134.8	90%	0.896	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-81.4	145.6	-170.8	-57	161.8	-177.9	167.8	0	111.5
1117	E	24.8	Very low	26.6	Very low	197 Å²	197	135.1 Å²	135.1	92%	0.921	72%	0.724	S	S	*	*			trans	-120.8	163.9	152.6	-81.6	-117.2	101.9	0	0	111
1118	R	25.4	Very low	26.5	Very low	241 Å²	241	135.3 Å²	135.3	91%	0.909	73%	0.732	S	S	*	*			trans	-91.7	135.6	-177.1	-63.6	173.1	177.4	172.2	-1.1	109.8
1119	G	25	Very low	26.3	Very low	72 Å²	72	141.9 Å²	141.9	74%	0.742	75%	0.745	S	S	*	*			trans	-77.8	175	168.5	0	0	0	0	0	112.6
1120	P	31.5	Very low	26.2	Very low	123 Å²	123	138.4 Å²	138.4	80%	0.799	75%	0.747	S	S	*	*			trans	-127.3	164.3	148.3	38.4	-28.9	0	0	0	114.3
1121	S	23.7	Very low	26.1	Very low	112 Å²	112	141.2 Å²	141.2	78%	0.783	76%	0.758	S	S	*	*			trans	-11.2	151.9	157.8	51.1	0	0	0	0	120.6
1122	A	25.2	Very low	26.1	Very low	91 Å²	91	141.1 Å²	141.1	75%	0.752	77%	0.773	S	S	*	*			cis	-176.9	-158	-6.8	0	0	0	0	0	110.8
1123	V	24.5	Very low	27.1	Very low	134 Å²	134	141.8 Å²	141.8	81%	0.812	79%	0.788	S	S	*	*			trans	95.2	79.4	161.1	-165.8	0	0	0	0	117.8
1124	R	25.5	Very low	27.2	Very low	229 Å²	229	142 Å²	142	86%	0.864	80%	0.803	S	S	*	*				3.3	141.7	129.7	-54.7	171.3	170.3	174.5	-4.3	116.3
1125	Q	25.9	Very low	27.3	Very low	154 Å²	154	143.9 Å²	143.9	72%	0.72	80%	0.803	S	S	*	*				-169.2	144.6	71.9	-90.6	-163.1	60.1	0	0	114.3
1126	R	27	Very low	27.5	Very low	226 Å²	226	146.9 Å²	146.9	85%	0.853	80%	0.804	S	S	*	*				36.4	151	126.9	-71.4	178.8	164.5	176.8	-7.2	121
1127	A	29.8	Very low	27.6	Very low	89 Å²	89	140.6 Å²	140.6	74%	0.736	80%	0.798	S	S	*	*			cis	-164.9	-171.1	-8.7	0	0	0	0	0	107.4
1128	S	28.9	Very low	27.7	Very low	88 Å²	88	138.4 Å²	138.4	62%	0.615	79%	0.792	S	S	*	*			cis	-168.5	178.9	22.3	-164.3	0	0	0	0	112.4
1129	Y	28	Very low	27.9	Very low	226 Å²	226	138.5 Å²	138.5	89%	0.886	79%	0.793	S	S	*	*			trans	71.4	133.1	168.9	-51.4	-72.8	0	0	0	118.4
1130	G	27.8	Very low	27.9	Very low	67 Å²	67	138.3 Å²	138.3	69%	0.691	79%	0.791	S	S	*	*			cis	138.8	119	-23.2	0	0	0	0	0	116.5
1131	N	26.6	Very low	27.6	Very low	183 Å²	183	138.5 Å²	138.5	98%	0.979	79%	0.794	S	S	*	*			trans	-169.8	155.8	148.2	-98.1	-25.5	0	0	0	110.1
1132	G	24.4	Very low	27.7	Very low	69 Å²	69	138.8 Å²	138.8	71%	0.711	79%	0.79	S	S	*	*			trans	-136.1	-141.6	-178.9	0	0	0	0	0	111.6
1133	P	44.9	Very low	27.9	Very low	123 Å²	123	144.8 Å²	144.8	80%	0.799	79%	0.794	S	S	*	*			cis	-144.2	-177.3	-0.3	43.3	-24.8	0	0	0	117.2
1134	S	27.7	Very low	28.2	Very low	110 Å²	110	144.7 Å²	144.7	77%	0.769	79%	0.789	S	S	*	*			trans	83	147.1	152.7	84.7	0	0	0	0	120.4
1135	M	27.8	Very low	28.6	Very low	159 Å²	159	141.8 Å²	141.8	78%	0.783	78%	0.782	S	S	*	*			cis	-164.1	161.7	-26	-115.3	-48.6	172.5	0	0	112.2
1136	H	28	Very low	28.8	Very low	185 Å²	185	141.5 Å²	141.5	86%	0.856	78%	0.781	S	S	*	*			trans	64.8	156.5	166.7	-66.4	-67.7	0	0	0	120.1
1137	G	27.2	Very low	29.1	Very low	75 Å²	75	137.7 Å²	137.7	77%	0.773	78%	0.782	S	S	*	*			trans	177.5	-81.1	166.8	0	0	0	0	0	117.7
1138	D	27.8	Very low	29.4	Very low	150 Å²	150	138.7 Å²	138.7	80%	0.802	78%	0.784	S	S	*	*			trans	40.3	101.9	-179.7	-170.4	31.1	0	0	0	120.3
1139	R	28.3	Very low	30.1	Very low	243 Å²	243	140.8 Å²	140.8	92%	0.917	79%	0.793	S	S	*	*			trans	-163.2	162.7	133.2	-134.2	159.7	-71.9	-145.7	-0.9	110.4
1140	G	25	Very low	31.1	Very low	69 Å²	69	132.7 Å²	132.7	71%	0.711	77%	0.765	S	S	*	*			trans	-146.3	-160.7	-175	0	0	0	0	0	116.4
1141	C	25.8	Very low	31.8	Very low	127 Å²	127	140 Å²	140	86%	0.858	78%	0.777	S	S	*	*			trans	86.7	103.1	164.9	-82.5	0	0	0	0	121.8
1142	V	26.1	Very low	33.2	Very low	117 Å²	117	134.1 Å²	134.1	71%	0.709	76%	0.76	S	S	*	*			trans	86.4	143	139.8	-145.4	0	0	0	0	122.1
1143	W	29.5	Very low	34.8	Very low	218 Å²	218	134.3 Å²	134.3	83%	0.826	76%	0.755	S	S	*	*			trans	97.2	120.1	159.1	-64.9	109.4	0	0	0	120.7
1144	D	30.9	Very low	36	Very low	132 Å²	132	129 Å²	129	71%	0.706	72%	0.721	S	S	*	*			trans	23.1	138.4	150.3	-61.1	-2.2	0	0	0	123.2
1145	K	33.1	Very low	37.9	Very low	167 Å²	167	131.4 Å²	131.4	73%	0.726	72%	0.72	S	S	*	*				-171.4	151.5	101.1	-106	-174.7	170.9	-141.5	0	117
1146	E	30.1	Very low	40.4	Very low	149 Å²	149	126.9 Å²	126.9	70%	0.696	70%	0.701	S	S	*	*			trans	50.6	124.7	144.6	-71.5	162.5	-166	0	0	122.2
1147	V	33.2	Very low	42.9	Very low	145 Å²	145	118.3 Å²	118.3	88%	0.879	66%	0.662	S	S	*	*			trans	-114.9	133.1	151.8	177.2	0	0	0	0	107.3
1148	S	35.7	Very low	45.6	Very low	111 Å²	111	120.5 Å²	120.5	78%	0.776	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-81.9	130.1	-166.1	-47.3	0	0	0	0	114.3
1149	V	44.3	Very low	48.1	Very low	131 Å²	131	117.5 Å²	117.5	79%	0.794	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-73.5	149.8	163.1	180	0	0	0	0	109.8
1150	L	48.8	Very low	50.8	Low	57 Å²	57	106 Å²	106	30%	0.298	59%	0.59	S	S	.	*	P	Polyproline II helix	trans	-66.1	140.9	-178.5	-62.6	179.6	0	0	0	112.7	T1163 L1164	L1150-T1163 HydrophobicContact CD1-CG2 3.76Å; L1150-T1163 HydrophobicContact CD2-CG2 3.63Å; L1150-T1163 HydrophobicContact CG-CG2 4.29Å; L1150-L1164 HydrophobicContact CD1-CD2 4.25Å
1151	K	43	Very low	53.8	Low	219 Å²	219	102.7 Å²	102.7	95%	0.952	56%	0.556	S	S	*	*	S	Bend	trans	-97	94.4	170.3	-76.2	-172.8	174.9	-178	0	109.9
1152	G	54.9	Low	56.6	Low	60 Å²	60	99.2 Å²	99.2	62%	0.619	53%	0.533	S	S	*	.	S	Bend	trans	119.7	136.1	-178.7	0	0	0	0	0	111.4
1153	A	58.1	Low	59.2	Low	74 Å²	74	97.1 Å²	97.1	61%	0.612	52%	0.52	S	S	*	.			trans	-88.8	120.2	174.6	0	0	0	0	0	109.1	W1214	A1153-W1214 HydrophobicContact CB-CE3 3.81Å; A1153-W1214 HydrophobicContact CB-CZ3 4.07Å
1154	P	70.3	Confident	61.9	Low	11 Å²	11	86.9 Å²	86.9	7%	0.071	48%	0.482	C	S	.	.			trans	-73.4	142	179.4	27.8	-33.1	0	0	0	111.9	E1159 L1160 L1181 W1214	P1154-E1159 WeakPolarHBondContact CA-OE2 3.42Å; P1154-E1159 HydrophobicContact CB-CB 3.95Å; P1154-E1159 HydrophobicContact CB-CG 3.71Å; P1154-L1160 HydrophobicContact CB-CB 4.26Å; P1154-L1160 HydrophobicContact CG-CB 3.72Å; P1154-L1160 HydrophobicContact CG-CD1 3.92Å; P1154-L1160 HydrophobicContact CG-CG 4.36Å; P1154-L1181 WeakPolarHBondContact O-CD1 3.16Å; P1154-W1214 HydrophobicContact CG-CH2 3.6Å; P1154-W1214 HydrophobicContact CG-CZ2 3.96Å; P1154-W1214 HydrophobicContact CG-CZ3 4.31Å
1155	E	68.7	Low	64.3	Low	160 Å²	160	83 Å²	83	75%	0.748	47%	0.474	S	S	*	.	S	Bend	trans	-84.8	-12.9	-174.4	-61.6	-171	166.3	0	0	113.2	E1159 L1181	E1155-E1159 PolarHBondContact N-OE2 3.15Å; E1155-L1181 VanDerWaalsContact C-CD1 3.45Å; E1155-L1181 WeakPolarHBondContact O-CD1 3.23Å
1156	T	80.3	Confident	67.1	Low	65 Å²	65	75.2 Å²	75.2	40%	0.399	44%	0.44	S	S	.	.	S	Bend	trans	-138.3	157.5	178.3	66.3	0	0	0	0	113.2	Q1158 E1159 L1160	T1156-Q1158 PolarHBondContact O-N 2.94Å; T1156-E1159 PolarHBondContact O-N 2.88Å; T1156-E1159 VanDerWaalsContact OG1-CB 3.29Å; T1156-E1159 WeakPolarHBondContact OG1-CB 3.29Å; T1156-E1159 PolarHBondContact OG1-N 2.76Å; T1156-L1160 PolarHBondContact O-N 3.01Å
1157	V	79.9	Confident	69.8	Low	4 Å²	4	73.2 Å²	73.2	2%	0.024	43%	0.43	C	S	.	.	H	α-helix	trans	-59	-37.1	171.3	177.6	0	0	0	0	111.3	E1159 L1160 L1161 W1178 L1181 F1184	V1157-E1159 PolarHBondContact O-N 3.29Å; V1157-L1160 PolarHBondContact O-N 3.22Å; V1157-L1161 HydrophobicContact CG1-CD1 3.88Å; V1157-L1161 HydrophobicContact CG1-CG 4.23Å; V1157-L1161 WeakPolarHBondContact O-CB 3.3Å; V1157-L1161 VanDerWaalsContact O-CG 3.22Å; V1157-L1161 WeakPolarHBondContact O-CG 3.41Å; V1157-L1161 PolarHBondContact O-N 2.88Å; V1157-W1178 WeakPolarHBondContact CG1-O 3.3Å; V1157-L1181 HydrophobicContact CB-CD2 4.49Å; V1157-L1181 HydrophobicContact CG2-CD2 3.67Å; V1157-L1181 HydrophobicContact CG2-CG 4.02Å; V1157-F1184 HydrophobicContact CB-CD2 4.29Å; V1157-F1184 HydrophobicContact CB-CE2 4.48Å; V1157-F1184 HydrophobicContact CG1-CD2 3.61Å; V1157-F1184 HydrophobicContact CG1-CE1 4.43Å; V1157-F1184 HydrophobicContact CG1-CE2 3.37Å; V1157-F1184 HydrophobicContact CG1-CG 4.25Å; V1157-F1184 HydrophobicContact CG1-CZ 3.82Å; V1157-F1184 HydrophobicContact CG2-CB 3.79Å; V1157-F1184 HydrophobicContact CG2-CD1 4.34Å; V1157-F1184 HydrophobicContact CG2-CD2 3.61Å; V1157-F1184 HydrophobicContact CG2-CE2 4.26Å; V1157-F1184 HydrophobicContact CG2-CG 3.66Å
1158	Q	83.2	Confident	72.3	Confident	122 Å²	122	73.1 Å²	73.1	57%	0.57	42%	0.418	S	S	*	.	H	α-helix	trans	-62.6	-41.9	176.3	177.4	169.7	-22.7	0	0	112.2	T1156 S1162 T1170	T1156-Q1158 PolarHBondContact O-N 2.94Å; Q1158-S1162 VanDerWaalsContact O-CB 3.32Å; Q1158-S1162 WeakPolarHBondContact O-CB 3.26Å; Q1158-S1162 PolarHBondContact O-N 3.32Å; Q1158-S1162 PolarHBondContact O-OG 3.08Å; Q1158-T1170 HydrophobicContact CB-CG2 3.66Å; Q1158-T1170 HydrophobicContact CG-CG2 3.82Å
1159	E	80.4	Confident	74.7	Confident	87 Å²	87	69.1 Å²	69.1	41%	0.407	39%	0.386	S	S	.	.	H	α-helix	trans	-70.8	-41.6	178.5	-173.4	178.7	-148.8	0	0	111.5	P1154 E1155 T1156 V1157 S1162 T1163	P1154-E1159 WeakPolarHBondContact CA-OE2 3.42Å; P1154-E1159 HydrophobicContact CB-CB 3.95Å; P1154-E1159 HydrophobicContact CB-CG 3.71Å; E1155-E1159 PolarHBondContact N-OE2 3.15Å; T1156-E1159 PolarHBondContact O-N 2.88Å; T1156-E1159 VanDerWaalsContact OG1-CB 3.29Å; T1156-E1159 WeakPolarHBondContact OG1-CB 3.29Å; T1156-E1159 PolarHBondContact OG1-N 2.76Å; V1157-E1159 PolarHBondContact O-N 3.29Å; E1159-S1162 PolarHBondContact O-N 3.05Å; E1159-T1163 WeakPolarHBondContact O-CB 3.45Å; E1159-T1163 PolarHBondContact O-N 3.43Å; E1159-T1163 PolarHBondContact O-OG1 3.06Å
1160	L	85.4	Confident	76.6	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-55.7	-52.8	171.5	175.3	55.2	0	0	0	111.1	P1154 T1156 V1157 S1162 T1163 L1164 L1181 F1184 N1209 W1214	P1154-L1160 HydrophobicContact CB-CB 4.26Å; P1154-L1160 HydrophobicContact CG-CB 3.72Å; P1154-L1160 HydrophobicContact CG-CD1 3.92Å; P1154-L1160 HydrophobicContact CG-CG 4.36Å; T1156-L1160 PolarHBondContact O-N 3.01Å; V1157-L1160 PolarHBondContact O-N 3.22Å; L1160-S1162 VanDerWaalsContact C-N 3.31Å; L1160-S1162 PolarHBondContact O-N 3.45Å; L1160-T1163 PolarHBondContact O-N 3.02Å; L1160-L1164 HydrophobicContact CD1-CD1 3.85Å; L1160-L1164 HydrophobicContact CD1-CG 4.19Å; L1160-L1164 HydrophobicContact CG-CD1 4.19Å; L1160-L1164 VanDerWaalsContact O-CG 3.3Å; L1160-L1164 WeakPolarHBondContact O-CG 3.4Å; L1160-L1164 PolarHBondContact O-N 2.97Å; L1160-L1181 HydrophobicContact CD2-CD2 4.31Å; L1160-F1184 HydrophobicContact CD2-CD1 4.07Å; L1160-F1184 HydrophobicContact CD2-CE1 3.77Å; L1160-N1209 HydrophobicContact CD1-CB 4.42Å; L1160-W1214 HydrophobicContact CD1-CZ2 3.86Å; L1160-W1214 HydrophobicContact CD2-CH2 4.38Å; L1160-W1214 HydrophobicContact CD2-CZ2 3.98Å; L1160-W1214 HydrophobicContact CG-CZ2 4.47Å
1161	L	88.3	Confident	77.5	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-62.4	-37.3	177.7	-68.4	172.3	0	0	0	112.1	V1157 L1164 G1165 L1166 Q1167 L1173 I1206	V1157-L1161 HydrophobicContact CG1-CD1 3.88Å; V1157-L1161 HydrophobicContact CG1-CG 4.23Å; V1157-L1161 WeakPolarHBondContact O-CB 3.3Å; V1157-L1161 VanDerWaalsContact O-CG 3.22Å; V1157-L1161 WeakPolarHBondContact O-CG 3.41Å; V1157-L1161 PolarHBondContact O-N 2.88Å; L1161-L1164 PolarHBondContact O-N 3.49Å; L1161-G1165 PolarHBondContact O-N 2.97Å; L1161-L1166 HydrophobicContact CD2-CB 4.08Å; L1161-L1166 CarbonylContact O-C 3.54Å; L1161-L1166 WeakPolarHBondContact O-CA 3.44Å; L1161-L1166 PolarHBondContact O-N 3.37Å; L1161-Q1167 PolarHBondContact O-N 2.89Å; L1161-L1173 HydrophobicContact CD1-CD1 3.63Å; L1161-L1173 HydrophobicContact CD2-CD1 4.21Å; L1161-I1206 HydrophobicContact CD2-CD1 3.62Å; L1161-I1206 HydrophobicContact CD2-CG1 3.88Å
1162	S	84.5	Confident	78.9	Confident	55 Å²	55	58.1 Å²	58.1	39%	0.385	34%	0.34	S	S	.	.	H	α-helix	trans	-64.8	-43.3	175.9	-59	0	0	0	0	111.9	Q1158 E1159 L1160 L1164 G1165	Q1158-S1162 VanDerWaalsContact O-CB 3.32Å; Q1158-S1162 WeakPolarHBondContact O-CB 3.26Å; Q1158-S1162 PolarHBondContact O-N 3.32Å; Q1158-S1162 PolarHBondContact O-OG 3.08Å; E1159-S1162 PolarHBondContact O-N 3.05Å; L1160-S1162 VanDerWaalsContact C-N 3.31Å; L1160-S1162 PolarHBondContact O-N 3.45Å; S1162-L1164 VanDerWaalsContact C-N 3.28Å; S1162-L1164 PolarHBondContact O-N 2.89Å; S1162-G1165 PolarHBondContact O-N 3.31Å
1163	T	80.9	Confident	80	Confident	72 Å²	72	55.2 Å²	55.2	44%	0.442	31%	0.31	S	S	.	.	H	α-helix	trans	-64.9	-31.8	178	-55.6	0	0	0	0	112	L1150 E1159 L1160	L1150-T1163 HydrophobicContact CD1-CG2 3.76Å; L1150-T1163 HydrophobicContact CD2-CG2 3.63Å; L1150-T1163 HydrophobicContact CG-CG2 4.29Å; E1159-T1163 WeakPolarHBondContact O-CB 3.45Å; E1159-T1163 PolarHBondContact O-N 3.43Å; E1159-T1163 PolarHBondContact O-OG1 3.06Å; L1160-T1163 PolarHBondContact O-N 3.02Å
1164	L	84.9	Confident	80.5	Confident	4 Å²	4	54.3 Å²	54.3	2%	0.021	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-7.3	174.1	-62.2	174.5	0	0	0	114.1	L1150 L1160 L1161 S1162 L1166 R1205 I1206 N1209	L1150-L1164 HydrophobicContact CD1-CD2 4.25Å; L1160-L1164 HydrophobicContact CD1-CD1 3.85Å; L1160-L1164 HydrophobicContact CD1-CG 4.19Å; L1160-L1164 HydrophobicContact CG-CD1 4.19Å; L1160-L1164 VanDerWaalsContact O-CG 3.3Å; L1160-L1164 WeakPolarHBondContact O-CG 3.4Å; L1160-L1164 PolarHBondContact O-N 2.97Å; L1161-L1164 PolarHBondContact O-N 3.49Å; S1162-L1164 VanDerWaalsContact C-N 3.28Å; S1162-L1164 PolarHBondContact O-N 2.89Å; L1164-L1166 HydrophobicContact CB-CB 4.44Å; L1164-L1166 HydrophobicContact CB-CD1 3.93Å; L1164-L1166 HydrophobicContact CB-CG 4.02Å; L1164-L1166 HydrophobicContact CD1-CD1 4.49Å; L1164-R1205 HydrophobicContact CD2-CG 4.17Å; L1164-R1205 PolarHBondContact O-NH1 2.83Å; L1164-R1205 VanDerWaalsContact O-NH1 3.17Å; L1164-I1206 HydrophobicContact CD1-CG1 4.29Å; L1164-N1209 HydrophobicContact CD1-CB 4Å; L1164-N1209 HydrophobicContact CD2-CB 3.92Å
1165	G	83.3	Confident	79.9	Confident	51 Å²	51	60.4 Å²	60.4	53%	0.526	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.7	25.4	-174.8	0	0	0	0	0	114.4	L1161 S1162	L1161-G1165 PolarHBondContact O-N 2.97Å; S1162-G1165 PolarHBondContact O-N 3.31Å
1166	L	91.9	Very high	79.5	Confident	3 Å²	3	55.4 Å²	55.4	2%	0.016	31%	0.314	C	S	.	.			trans	-121	12.6	-169.6	-59.6	-179	0	0	0	113.4	L1161 L1164 K1168 Y1169 H1202 R1205 I1206	L1161-L1166 HydrophobicContact CD2-CB 4.08Å; L1161-L1166 CarbonylContact O-C 3.54Å; L1161-L1166 WeakPolarHBondContact O-CA 3.44Å; L1161-L1166 PolarHBondContact O-N 3.37Å; L1164-L1166 HydrophobicContact CB-CB 4.44Å; L1164-L1166 HydrophobicContact CB-CD1 3.93Å; L1164-L1166 HydrophobicContact CB-CG 4.02Å; L1164-L1166 HydrophobicContact CD1-CD1 4.49Å; L1166-K1168 PolarHBondContact O-N 2.71Å; L1166-Y1169 HydrophobicContact CB-CD2 4.19Å; L1166-Y1169 HydrophobicContact CD2-CE2 4.35Å; L1166-Y1169 WeakPolarHBondContact O-CD2 3.48Å; L1166-Y1169 PolarHBondContact O-N 2.72Å; L1166-H1202 HydrophobicContact CD1-CB 4.19Å; L1166-H1202 HydrophobicContact CD2-CB 3.84Å; L1166-H1202 VanDerWaalsContact CD2-CD2 3.48Å; L1166-H1202 WeakPolarHBondContact CD2-CD2 3.31Å; L1166-H1202 VanDerWaalsContact CD2-CG 3.49Å; L1166-R1205 HydrophobicContact CD1-CB 4.42Å; L1166-I1206 HydrophobicContact CD1-CD1 3.92Å; L1166-I1206 HydrophobicContact CD1-CG1 3.59Å
1167	Q	86.9	Confident	78.5	Confident	106 Å²	106	53 Å²	53	50%	0.495	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-54.4	-18.8	-175.5	68.4	-81.1	29.6	0	0	115.4	L1161 Y1169 T1170	L1161-Q1167 PolarHBondContact O-N 2.89Å; Q1167-Y1169 PolarHBondContact O-N 2.79Å; Q1167-T1170 WeakPolarHBondContact O-CB 3.29Å; Q1167-T1170 PolarHBondContact O-N 3.32Å; Q1167-T1170 PolarHBondContact O-OG1 2.92Å
1168	K	84.1	Confident	78.4	Confident	144 Å²	144	54.5 Å²	54.5	63%	0.626	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-61.6	-20.9	173.3	67.1	-175.8	-177.7	-178.6	0	114.2	L1166	L1166-K1168 PolarHBondContact O-N 2.71Å
1169	Y	87.6	Confident	77.8	Confident	27 Å²	27	52.9 Å²	52.9	11%	0.106	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-90.2	-10.2	179.1	-61	-67.2	0	0	0	114.1	L1166 Q1167 L1171 G1172 L1173 G1196 V1197 H1202	L1166-Y1169 HydrophobicContact CB-CD2 4.19Å; L1166-Y1169 HydrophobicContact CD2-CE2 4.35Å; L1166-Y1169 WeakPolarHBondContact O-CD2 3.48Å; L1166-Y1169 PolarHBondContact O-N 2.72Å; Q1167-Y1169 PolarHBondContact O-N 2.79Å; Y1169-L1171 VanDerWaalsContact C-N 3.26Å; Y1169-L1171 PolarHBondContact O-N 2.77Å; Y1169-L1171 VanDerWaalsContact O-N 3.17Å; Y1169-G1172 PolarHBondContact O-N 3.36Å; Y1169-G1172 VanDerWaalsContact O-N 3.09Å; Y1169-L1173 PolarHBondContact O-N 2.94Å; Y1169-G1196 VanDerWaalsContact CE1-O 3.32Å; Y1169-G1196 WeakPolarHBondContact CE1-O 3.18Å; Y1169-V1197 HydrophobicContact CD1-CB 4.24Å; Y1169-V1197 HydrophobicContact CD1-CG1 4.36Å; Y1169-V1197 HydrophobicContact CD1-CG2 3.84Å; Y1169-V1197 HydrophobicContact CD2-CG1 4.15Å; Y1169-V1197 HydrophobicContact CD2-CG2 4.4Å; Y1169-V1197 HydrophobicContact CE1-CB 4.33Å; Y1169-V1197 HydrophobicContact CE1-CG1 4.24Å; Y1169-V1197 HydrophobicContact CE1-CG2 4.43Å; Y1169-V1197 HydrophobicContact CE2-CG1 4.03Å; Y1169-V1197 HydrophobicContact CG-CB 4.48Å; Y1169-V1197 HydrophobicContact CG-CG1 4.31Å; Y1169-V1197 HydrophobicContact CG-CG2 3.82Å; Y1169-H1202 HydrophobicContact CE2-CB 4.07Å; Y1169-H1202 AromaticContact CE2-ND1 3.44Å; Y1169-H1202 WeakPolarHBondContact CE2-ND1 3.26Å; Y1169-H1202 AromaticContact CZ-ND1 3.62Å; Y1169-H1202 PolarHBondContact OH-ND1 2.71Å
1170	T	82.5	Confident	77.5	Confident	25 Å²	25	49.4 Å²	49.4	15%	0.153	29%	0.286	C	S	.	.	H	α-helix	trans	-52.6	-41.4	-176	-49.1	0	0	0	0	112.9	Q1158 Q1167 S1174	Q1158-T1170 HydrophobicContact CB-CG2 3.66Å; Q1158-T1170 HydrophobicContact CG-CG2 3.82Å; Q1167-T1170 WeakPolarHBondContact O-CB 3.29Å; Q1167-T1170 PolarHBondContact O-N 3.32Å; Q1167-T1170 PolarHBondContact O-OG1 2.92Å; T1170-S1174 VanDerWaalsContact O-CB 3.22Å; T1170-S1174 WeakPolarHBondContact O-CB 3.44Å; T1170-S1174 PolarHBondContact O-N 3.37Å
1171	L	69.2	Low	77	Confident	124 Å²	124	50.2 Å²	50.2	65%	0.649	29%	0.291	S	S	*	.	H	α-helix	trans	-69.2	-41.1	-179.5	-177.7	61.9	0	0	0	112.5	Y1169 L1175	Y1169-L1171 VanDerWaalsContact C-N 3.26Å; Y1169-L1171 PolarHBondContact O-N 2.77Å; Y1169-L1171 VanDerWaalsContact O-N 3.17Å; L1171-L1175 HydrophobicContact CD1-CD1 4.13Å; L1171-L1175 HydrophobicContact CD1-CG 4.28Å; L1171-L1175 HydrophobicContact CG-CD1 4.04Å; L1171-L1175 WeakPolarHBondContact O-CB 3.44Å; L1171-L1175 VanDerWaalsContact O-CG 3.23Å; L1171-L1175 WeakPolarHBondContact O-CG 3.34Å; L1171-L1175 PolarHBondContact O-N 3.26Å
1172	G	70.9	Confident	75.8	Confident	26 Å²	26	52.8 Å²	52.8	27%	0.268	31%	0.305	S	S	.	.	H	α-helix	trans	-66.2	-44.9	177.4	0	0	0	0	0	111.7	Y1169 L1175 S1176 A1195	Y1169-G1172 PolarHBondContact O-N 3.36Å; Y1169-G1172 VanDerWaalsContact O-N 3.09Å; G1172-L1175 PolarHBondContact O-N 2.97Å; G1172-S1176 PolarHBondContact O-N 2.89Å; G1172-S1176 PolarHBondContact O-OG 2.95Å; G1172-A1195 CarbonylContact C-O 3.58Å; G1172-A1195 WeakPolarHBondContact CA-O 3.44Å
1173	L	78.6	Confident	74.8	Confident	0 Å²	0	56 Å²	56	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-62.6	-45.5	175.9	-74.2	160.8	0	0	0	111.7	L1161 Y1169 L1175 S1176 G1177 W1178 F1184 I1187 L1192 A1195 V1197	L1161-L1173 HydrophobicContact CD1-CD1 3.63Å; L1161-L1173 HydrophobicContact CD2-CD1 4.21Å; Y1169-L1173 PolarHBondContact O-N 2.94Å; L1173-L1175 PolarHBondContact O-N 3.13Å; L1173-S1176 CarbonylContact O-C 3.52Å; L1173-S1176 PolarHBondContact O-N 3.29Å; L1173-G1177 PolarHBondContact O-N 3.27Å; L1173-G1177 VanDerWaalsContact O-N 3.08Å; L1173-W1178 HydrophobicContact CB-CB 4.05Å; L1173-W1178 HydrophobicContact CD2-CB 3.83Å; L1173-W1178 HydrophobicContact CD2-CG 4.12Å; L1173-W1178 WeakPolarHBondContact O-CA 3.35Å; L1173-W1178 WeakPolarHBondContact O-CB 3.38Å; L1173-W1178 PolarHBondContact O-N 2.97Å; L1173-F1184 HydrophobicContact CD1-CE2 4.16Å; L1173-F1184 HydrophobicContact CD1-CZ 4.48Å; L1173-F1184 HydrophobicContact CD2-CE2 4.16Å; L1173-I1187 HydrophobicContact CD2-CD1 3.69Å; L1173-L1192 HydrophobicContact CD2-CD2 4.03Å; L1173-A1195 HydrophobicContact CB-CB 4.48Å; L1173-A1195 HydrophobicContact CD2-CB 3.29Å; L1173-A1195 HydrophobicContact CG-CB 3.76Å; L1173-V1197 HydrophobicContact CD1-CG2 4.24Å
1174	S	69.4	Low	74.6	Confident	55 Å²	55	52.6 Å²	52.6	39%	0.385	29%	0.288	S	S	.	.	H	α-helix	trans	-61.5	-43.5	175.5	176.9	0	0	0	0	113	T1170 S1176 G1177	T1170-S1174 VanDerWaalsContact O-CB 3.22Å; T1170-S1174 WeakPolarHBondContact O-CB 3.44Å; T1170-S1174 PolarHBondContact O-N 3.37Å; S1174-S1176 VanDerWaalsContact C-N 3.3Å; S1174-S1176 PolarHBondContact O-N 3.16Å; S1174-G1177 PolarHBondContact O-N 2.94Å
1175	L	57.7	Low	74.1	Confident	138 Å²	138	54.1 Å²	54.1	72%	0.723	30%	0.299	S	S	*	.	H	α-helix	trans	-64.2	-34.1	176.7	-73	169.6	0	0	0	112.6	L1171 G1172 L1173 G1177	L1171-L1175 HydrophobicContact CD1-CD1 4.13Å; L1171-L1175 HydrophobicContact CD1-CG 4.28Å; L1171-L1175 HydrophobicContact CG-CD1 4.04Å; L1171-L1175 WeakPolarHBondContact O-CB 3.44Å; L1171-L1175 VanDerWaalsContact O-CG 3.23Å; L1171-L1175 WeakPolarHBondContact O-CG 3.34Å; L1171-L1175 PolarHBondContact O-N 3.26Å; G1172-L1175 PolarHBondContact O-N 2.97Å; L1173-L1175 PolarHBondContact O-N 3.13Å; L1175-G1177 VanDerWaalsContact C-N 3.28Å; L1175-G1177 PolarHBondContact O-N 3.47Å
1176	S	59.6	Low	73.6	Confident	56 Å²	56	53.8 Å²	53.8	39%	0.392	30%	0.295	S	S	.	.	H	α-helix	trans	-78.9	-4.3	172.7	-66.7	0	0	0	0	114	G1172 L1173 S1174	G1172-S1176 PolarHBondContact O-N 2.89Å; G1172-S1176 PolarHBondContact O-OG 2.95Å; L1173-S1176 CarbonylContact O-C 3.52Å; L1173-S1176 PolarHBondContact O-N 3.29Å; S1174-S1176 VanDerWaalsContact C-N 3.3Å; S1174-S1176 PolarHBondContact O-N 3.16Å
1177	G	60	Low	73.1	Confident	15 Å²	15	53.6 Å²	53.6	16%	0.155	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	87	20.1	177.7	0	0	0	0	0	115.5	L1173 S1174 L1175 D1179	L1173-G1177 PolarHBondContact O-N 3.27Å; L1173-G1177 VanDerWaalsContact O-N 3.08Å; S1174-G1177 PolarHBondContact O-N 2.94Å; L1175-G1177 VanDerWaalsContact C-N 3.28Å; L1175-G1177 PolarHBondContact O-N 3.47Å; G1177-D1179 VanDerWaalsContact C-N 3.35Å; G1177-D1179 VanDerWaalsContact C-OD1 3.3Å
1178	W	77.3	Confident	73	Confident	34 Å²	34	51.1 Å²	51.1	13%	0.129	29%	0.287	C	S	.	.			trans	-99.1	36.2	174.8	-59.2	110.8	0	0	0	111.6	V1157 L1173 Y1183 F1184 I1187 D1191	V1157-W1178 WeakPolarHBondContact CG1-O 3.3Å; L1173-W1178 HydrophobicContact CB-CB 4.05Å; L1173-W1178 HydrophobicContact CD2-CB 3.83Å; L1173-W1178 HydrophobicContact CD2-CG 4.12Å; L1173-W1178 WeakPolarHBondContact O-CA 3.35Å; L1173-W1178 WeakPolarHBondContact O-CB 3.38Å; L1173-W1178 PolarHBondContact O-N 2.97Å; W1178-Y1183 WeakPolarHBondContact CZ3-O 3.46Å; W1178-F1184 HydrophobicContact CB-CD2 4.01Å; W1178-F1184 HydrophobicContact CB-CE2 4.32Å; W1178-F1184 WeakPolarHBondContact O-CD2 3.5Å; W1178-I1187 HydrophobicContact CB-CD1 4.05Å; W1178-I1187 HydrophobicContact CD2-CB 4.44Å; W1178-I1187 HydrophobicContact CD2-CD1 3.52Å; W1178-I1187 HydrophobicContact CD2-CG1 3.77Å; W1178-I1187 HydrophobicContact CE3-CB 3.92Å; W1178-I1187 HydrophobicContact CE3-CD1 3.8Å; W1178-I1187 HydrophobicContact CE3-CG1 3.76Å; W1178-I1187 HydrophobicContact CG-CD1 3.62Å; W1178-I1187 HydrophobicContact CG-CG1 4.38Å; W1178-I1187 HydrophobicContact CH2-CB 4.3Å; W1178-I1187 HydrophobicContact CH2-CG1 4.08Å; W1178-I1187 HydrophobicContact CZ2-CG1 4.12Å; W1178-I1187 HydrophobicContact CZ3-CB 3.82Å; W1178-I1187 HydrophobicContact CZ3-CD1 4.45Å; W1178-I1187 HydrophobicContact CZ3-CG1 3.9Å; W1178-D1191 HydrophobicContact CH2-CB 4.35Å; W1178-D1191 WeakPolarHBondContact CH2-OD2 3.43Å; W1178-D1191 HydrophobicContact CZ2-CB 3.64Å; W1178-D1191 WeakPolarHBondContact CZ2-OD1 3.13Å; W1178-D1191 VanDerWaalsContact CZ2-OD2 3.29Å; W1178-D1191 WeakPolarHBondContact CZ2-OD2 3.23Å
1179	D	71.6	Confident	72.8	Confident	89 Å²	89	46.9 Å²	46.9	48%	0.476	27%	0.269	S	S	.	.			trans	-82.7	-14.1	175.9	52.1	-48.2	0	0	0	113.7	G1177	G1177-D1179 VanDerWaalsContact C-N 3.35Å; G1177-D1179 VanDerWaalsContact C-OD1 3.3Å
1180	D	73.5	Confident	72	Confident	13 Å²	13	51.9 Å²	51.9	7%	0.07	29%	0.294	C	S	.	.	S	Bend	trans	-115.7	115.2	-164.5	177.3	-26.2	0	0	0	110.1	K652 S654 D1182 Y1183 F1184	K652-D1180 VanDerWaalsContact CE-OD2 3.24Å; K652-D1180 WeakPolarHBondContact CE-OD2 3.39Å; K652-D1180 IonicContact NZ-OD1 3.55Å; K652-D1180 PolarHBondContact NZ-OD1 3.11Å; K652-D1180 IonicContact NZ-OD2 2.96Å; K652-D1180 PolarHBondContact NZ-OD2 2.99Å; S654-D1180 WeakPolarHBondContact CB-OD1 3.37Å; S654-D1180 PolarHBondContact OG-OD1 2.96Å; S654-D1180 PolarHBondContact OG-OD2 3Å; D1180-D1182 VanDerWaalsContact C-N 3.26Å; D1180-D1182 PolarHBondContact O-N 3.43Å; D1180-D1182 WeakPolarHBondContact OD1-CB 3.39Å; D1180-D1182 PolarHBondContact OD1-N 3.46Å; D1180-Y1183 HydrophobicContact CB-CD2 3.8Å; D1180-Y1183 HydrophobicContact CB-CE2 4.41Å; D1180-Y1183 VanDerWaalsContact CG-CD2 3.47Å; D1180-Y1183 PolarHBondContact O-N 3.42Å; D1180-Y1183 WeakPolarHBondContact OD2-CD2 3.48Å; D1180-Y1183 VanDerWaalsContact OD2-CE2 3.24Å; D1180-Y1183 WeakPolarHBondContact OD2-CE2 3.36Å; D1180-F1184 PolarHBondContact O-N 3.39Å
1181	L	73.7	Confident	71.5	Confident	17 Å²	17	52 Å²	52	9%	0.089	29%	0.293	C	S	.	.	H	α-helix	trans	-57.9	-29.5	-173.3	-77.8	175.6	0	0	0	114.8	P1154 E1155 V1157 L1160 Y1183 F1184 S1185 P1211	P1154-L1181 WeakPolarHBondContact O-CD1 3.16Å; E1155-L1181 VanDerWaalsContact C-CD1 3.45Å; E1155-L1181 WeakPolarHBondContact O-CD1 3.23Å; V1157-L1181 HydrophobicContact CB-CD2 4.49Å; V1157-L1181 HydrophobicContact CG2-CD2 3.67Å; V1157-L1181 HydrophobicContact CG2-CG 4.02Å; L1160-L1181 HydrophobicContact CD2-CD2 4.31Å; L1181-Y1183 VanDerWaalsContact C-N 3.33Å; L1181-Y1183 PolarHBondContact O-N 3Å; L1181-F1184 HydrophobicContact CD2-CB 4.45Å; L1181-F1184 PolarHBondContact O-N 3.21Å; L1181-S1185 PolarHBondContact O-N 2.93Å; L1181-P1211 HydrophobicContact CB-CG 4.49Å; L1181-P1211 HydrophobicContact CD2-CG 3.87Å
1182	D	63	Low	72	Confident	55 Å²	55	46.1 Å²	46.1	29%	0.294	26%	0.262	S	S	.	.	H	α-helix	trans	-62.1	-42.8	175.9	-71.6	-52.8	0	0	0	111.1	K652 T653 D1180 S1185	K652-D1182 WeakPolarHBondContact CB-OD2 3.4Å; K652-D1182 IonicContact NZ-OD2 3.05Å; K652-D1182 PolarHBondContact NZ-OD2 3.01Å; T653-D1182 WeakPolarHBondContact CB-OD1 3.39Å; T653-D1182 PolarHBondContact N-OD2 3.5Å; T653-D1182 VanDerWaalsContact N-OD2 3.17Å; T653-D1182 PolarHBondContact OG1-OD1 3.49Å; D1180-D1182 VanDerWaalsContact C-N 3.26Å; D1180-D1182 PolarHBondContact O-N 3.43Å; D1180-D1182 WeakPolarHBondContact OD1-CB 3.39Å; D1180-D1182 PolarHBondContact OD1-N 3.46Å; D1182-S1185 PolarHBondContact O-OG 3.24Å
1183	Y	64.6	Low	72.4	Confident	123 Å²	123	45.7 Å²	45.7	48%	0.482	26%	0.255	S	S	.	.	H	α-helix	trans	-78.2	-39.4	176.7	-57.6	-53	0	0	0	109.9	W1178 D1180 L1181 S1185 G1186	W1178-Y1183 WeakPolarHBondContact CZ3-O 3.46Å; D1180-Y1183 HydrophobicContact CB-CD2 3.8Å; D1180-Y1183 HydrophobicContact CB-CE2 4.41Å; D1180-Y1183 VanDerWaalsContact CG-CD2 3.47Å; D1180-Y1183 PolarHBondContact O-N 3.42Å; D1180-Y1183 WeakPolarHBondContact OD2-CD2 3.48Å; D1180-Y1183 VanDerWaalsContact OD2-CE2 3.24Å; D1180-Y1183 WeakPolarHBondContact OD2-CE2 3.36Å; L1181-Y1183 VanDerWaalsContact C-N 3.33Å; L1181-Y1183 PolarHBondContact O-N 3Å; Y1183-S1185 PolarHBondContact O-N 2.98Å; Y1183-S1185 VanDerWaalsContact O-N 3.16Å; Y1183-G1186 WeakPolarHBondContact O-CA 3.39Å; Y1183-G1186 PolarHBondContact O-N 3.24Å
1184	F	77	Confident	71.6	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-55.9	-32.9	177.7	-155.1	-96.2	0	0	0	113.2	V1157 L1160 L1173 W1178 D1180 L1181 G1186 I1187 I1206 L1210	V1157-F1184 HydrophobicContact CB-CD2 4.29Å; V1157-F1184 HydrophobicContact CB-CE2 4.48Å; V1157-F1184 HydrophobicContact CG1-CD2 3.61Å; V1157-F1184 HydrophobicContact CG1-CE1 4.43Å; V1157-F1184 HydrophobicContact CG1-CE2 3.37Å; V1157-F1184 HydrophobicContact CG1-CG 4.25Å; V1157-F1184 HydrophobicContact CG1-CZ 3.82Å; V1157-F1184 HydrophobicContact CG2-CB 3.79Å; V1157-F1184 HydrophobicContact CG2-CD1 4.34Å; V1157-F1184 HydrophobicContact CG2-CD2 3.61Å; V1157-F1184 HydrophobicContact CG2-CE2 4.26Å; V1157-F1184 HydrophobicContact CG2-CG 3.66Å; L1160-F1184 HydrophobicContact CD2-CD1 4.07Å; L1160-F1184 HydrophobicContact CD2-CE1 3.77Å; L1173-F1184 HydrophobicContact CD1-CE2 4.16Å; L1173-F1184 HydrophobicContact CD1-CZ 4.48Å; L1173-F1184 HydrophobicContact CD2-CE2 4.16Å; W1178-F1184 HydrophobicContact CB-CD2 4.01Å; W1178-F1184 HydrophobicContact CB-CE2 4.32Å; W1178-F1184 WeakPolarHBondContact O-CD2 3.5Å; D1180-F1184 PolarHBondContact O-N 3.39Å; L1181-F1184 HydrophobicContact CD2-CB 4.45Å; L1181-F1184 PolarHBondContact O-N 3.21Å; F1184-G1186 PolarHBondContact O-N 3.45Å; F1184-G1186 VanDerWaalsContact O-N 3.13Å; F1184-I1187 HydrophobicContact CD1-CG2 4.49Å; F1184-I1187 HydrophobicContact CD2-CD1 4.08Å; F1184-I1187 HydrophobicContact CE1-CG2 4.5Å; F1184-I1187 HydrophobicContact CE2-CD1 3.85Å; F1184-I1187 HydrophobicContact CZ-CD1 4.47Å; F1184-I1187 WeakPolarHBondContact O-CB 3.47Å; F1184-I1187 WeakPolarHBondContact O-CG2 3.24Å; F1184-I1187 PolarHBondContact O-N 2.95Å; F1184-I1187 VanDerWaalsContact O-N 3.12Å; F1184-I1206 HydrophobicContact CE1-CG2 3.64Å; F1184-I1206 HydrophobicContact CZ-CG2 3.59Å; F1184-L1210 HydrophobicContact CD1-CD2 3.61Å; F1184-L1210 HydrophobicContact CE1-CD2 3.54Å
1185	S	74.3	Confident	71.7	Confident	35 Å²	35	46.4 Å²	46.4	25%	0.245	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-17.8	173.9	70.7	0	0	0	0	114	L1181 D1182 Y1183 R1212	L1181-S1185 PolarHBondContact O-N 2.93Å; D1182-S1185 PolarHBondContact O-OG 3.24Å; Y1183-S1185 PolarHBondContact O-N 2.98Å; Y1183-S1185 VanDerWaalsContact O-N 3.16Å; S1185-R1212 VanDerWaalsContact O-CD 3.23Å; S1185-R1212 WeakPolarHBondContact O-CD 3.42Å; S1185-R1212 PolarHBondContact O-NH1 3.39Å
1186	G	73.1	Confident	72.7	Confident	44 Å²	44	41.7 Å²	41.7	45%	0.454	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-5.4	175.6	0	0	0	0	0	115.4	Y1183 F1184	Y1183-G1186 WeakPolarHBondContact O-CA 3.39Å; Y1183-G1186 PolarHBondContact O-N 3.24Å; F1184-G1186 PolarHBondContact O-N 3.45Å; F1184-G1186 VanDerWaalsContact O-N 3.13Å
1187	I	80.7	Confident	74	Confident	0 Å²	0	39 Å²	39	0%	0	23%	0.23	C	C	.	.			trans	-59.2	138	-172.9	-156.8	169.6	0	0	0	112.2	L1173 W1178 F1184 D1191 L1192 L1207 L1210	L1173-I1187 HydrophobicContact CD2-CD1 3.69Å; W1178-I1187 HydrophobicContact CB-CD1 4.05Å; W1178-I1187 HydrophobicContact CD2-CB 4.44Å; W1178-I1187 HydrophobicContact CD2-CD1 3.52Å; W1178-I1187 HydrophobicContact CD2-CG1 3.77Å; W1178-I1187 HydrophobicContact CE3-CB 3.92Å; W1178-I1187 HydrophobicContact CE3-CD1 3.8Å; W1178-I1187 HydrophobicContact CE3-CG1 3.76Å; W1178-I1187 HydrophobicContact CG-CD1 3.62Å; W1178-I1187 HydrophobicContact CG-CG1 4.38Å; W1178-I1187 HydrophobicContact CH2-CB 4.3Å; W1178-I1187 HydrophobicContact CH2-CG1 4.08Å; W1178-I1187 HydrophobicContact CZ2-CG1 4.12Å; W1178-I1187 HydrophobicContact CZ3-CB 3.82Å; W1178-I1187 HydrophobicContact CZ3-CD1 4.45Å; W1178-I1187 HydrophobicContact CZ3-CG1 3.9Å; F1184-I1187 HydrophobicContact CD1-CG2 4.49Å; F1184-I1187 HydrophobicContact CD2-CD1 4.08Å; F1184-I1187 HydrophobicContact CE1-CG2 4.5Å; F1184-I1187 HydrophobicContact CE2-CD1 3.85Å; F1184-I1187 HydrophobicContact CZ-CD1 4.47Å; F1184-I1187 WeakPolarHBondContact O-CB 3.47Å; F1184-I1187 WeakPolarHBondContact O-CG2 3.24Å; F1184-I1187 PolarHBondContact O-N 2.95Å; F1184-I1187 VanDerWaalsContact O-N 3.12Å; I1187-D1191 HydrophobicContact CD1-CB 4.26Å; I1187-D1191 HydrophobicContact CG1-CB 3.45Å; I1187-D1191 VanDerWaalsContact CG1-CB 3.45Å; I1187-L1192 HydrophobicContact CD1-CD2 3.71Å; I1187-L1192 HydrophobicContact CD1-CG 3.95Å; I1187-L1192 HydrophobicContact CG1-CD2 4.45Å; I1187-L1192 HydrophobicContact CG1-CG 4.18Å; I1187-L1192 HydrophobicContact CG2-CG 4.49Å; I1187-L1207 HydrophobicContact CG2-CD2 4.41Å; I1187-L1210 HydrophobicContact CG2-CD1 4.11Å; I1187-L1210 HydrophobicContact CG2-CD2 3.67Å
1188	T	84.1	Confident	75.2	Confident	54 Å²	54	43.4 Å²	43.4	33%	0.331	25%	0.254	S	S	.	.			trans	-96.3	178.2	176.9	81.8	0	0	0	0	112.8	E1190 D1191 L1192	T1188-E1190 WeakPolarHBondContact CB-OE2 3.47Å; T1188-E1190 PolarHBondContact OG1-N 3.45Å; T1188-E1190 PolarHBondContact OG1-OE2 3.33Å; T1188-D1191 PolarHBondContact N-OD2 3.35Å; T1188-D1191 PolarHBondContact OG1-N 2.93Å; T1188-D1191 VanDerWaalsContact OG1-N 3.15Å; T1188-D1191 PolarHBondContact OG1-OD2 2.78Å; T1188-L1192 WeakPolarHBondContact O-CD1 3.39Å; T1188-L1192 WeakPolarHBondContact O-CG 3.33Å; T1188-L1192 PolarHBondContact O-N 2.77Å
1189	E	80.4	Confident	75.7	Confident	54 Å²	54	44.6 Å²	44.6	25%	0.252	26%	0.263	S	S	.	.	H	α-helix	trans	-67.7	-39.3	172.3	178.6	127.7	-140.8	0	0	110.7	F1113 L1192 C1193 R1203 L1207	F1113-E1189 HydrophobicContact CE2-CG 4.03Å; F1113-E1189 VanDerWaalsContact CZ-OE1 3.29Å; F1113-E1189 WeakPolarHBondContact CZ-OE1 3.44Å; E1189-L1192 WeakPolarHBondContact O-CB 3.45Å; E1189-L1192 PolarHBondContact O-N 3.12Å; E1189-C1193 PolarHBondContact O-N 3.18Å; E1189-C1193 PolarHBondContact O-SG 3.07Å; E1189-R1203 WeakPolarHBondContact OE1-CB 3.46Å; E1189-R1203 IonicContact OE1-CZ 3.74Å; E1189-R1203 IonicContact OE1-NE 2.68Å; E1189-R1203 PolarHBondContact OE1-NE 2.8Å; E1189-R1203 IonicContact OE1-NH2 3.44Å; E1189-L1207 HydrophobicContact CB-CD1 3.98Å
1190	E	70.9	Confident	76.1	Confident	133 Å²	133	42.8 Å²	42.8	62%	0.621	26%	0.256	S	S	*	.	H	α-helix	trans	-64.5	-41.7	176.9	-54.8	74.4	-163.5	0	0	112	T1188 L1192 C1193 A1194	T1188-E1190 WeakPolarHBondContact CB-OE2 3.47Å; T1188-E1190 PolarHBondContact OG1-N 3.45Å; T1188-E1190 PolarHBondContact OG1-OE2 3.33Å; E1190-L1192 VanDerWaalsContact C-N 3.33Å; E1190-L1192 PolarHBondContact O-N 2.86Å; E1190-C1193 WeakPolarHBondContact O-CB 3.24Å; E1190-C1193 PolarHBondContact O-N 2.92Å; E1190-C1193 VanDerWaalsContact O-N 3.17Å; E1190-A1194 PolarHBondContact O-N 3.2Å
1191	D	71.4	Confident	76.5	Confident	27 Å²	27	45.5 Å²	45.5	14%	0.144	28%	0.276	C	S	.	.	H	α-helix	trans	-61.4	-41	174.9	-71.7	-40.7	0	0	0	112	W1178 I1187 T1188 C1193 A1194 A1195	W1178-D1191 HydrophobicContact CH2-CB 4.35Å; W1178-D1191 WeakPolarHBondContact CH2-OD2 3.43Å; W1178-D1191 HydrophobicContact CZ2-CB 3.64Å; W1178-D1191 WeakPolarHBondContact CZ2-OD1 3.13Å; W1178-D1191 VanDerWaalsContact CZ2-OD2 3.29Å; W1178-D1191 WeakPolarHBondContact CZ2-OD2 3.23Å; I1187-D1191 HydrophobicContact CD1-CB 4.26Å; I1187-D1191 HydrophobicContact CG1-CB 3.45Å; I1187-D1191 VanDerWaalsContact CG1-CB 3.45Å; T1188-D1191 PolarHBondContact N-OD2 3.35Å; T1188-D1191 PolarHBondContact OG1-N 2.93Å; T1188-D1191 VanDerWaalsContact OG1-N 3.15Å; T1188-D1191 PolarHBondContact OG1-OD2 2.78Å; D1191-C1193 VanDerWaalsContact C-N 3.33Å; D1191-A1194 PolarHBondContact O-N 3.31Å; D1191-A1195 WeakPolarHBondContact O-CB 3.27Å; D1191-A1195 PolarHBondContact O-N 3.15Å
1192	L	81.1	Confident	77.3	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-63.8	-38.9	174.8	-73.2	166.5	0	0	0	111	L1173 I1187 T1188 E1189 E1190 A1195 G1196 V1197 R1203 I1206 L1207	L1173-L1192 HydrophobicContact CD2-CD2 4.03Å; I1187-L1192 HydrophobicContact CD1-CD2 3.71Å; I1187-L1192 HydrophobicContact CD1-CG 3.95Å; I1187-L1192 HydrophobicContact CG1-CD2 4.45Å; I1187-L1192 HydrophobicContact CG1-CG 4.18Å; I1187-L1192 HydrophobicContact CG2-CG 4.49Å; T1188-L1192 WeakPolarHBondContact O-CD1 3.39Å; T1188-L1192 WeakPolarHBondContact O-CG 3.33Å; T1188-L1192 PolarHBondContact O-N 2.77Å; E1189-L1192 WeakPolarHBondContact O-CB 3.45Å; E1189-L1192 PolarHBondContact O-N 3.12Å; E1190-L1192 VanDerWaalsContact C-N 3.33Å; E1190-L1192 PolarHBondContact O-N 2.86Å; L1192-A1195 PolarHBondContact O-N 3.44Å; L1192-G1196 PolarHBondContact O-N 3.12Å; L1192-V1197 HydrophobicContact CB-CB 4.14Å; L1192-V1197 HydrophobicContact CB-CG2 4.32Å; L1192-V1197 HydrophobicContact CD2-CG2 4.07Å; L1192-V1197 WeakPolarHBondContact O-CA 3.48Å; L1192-V1197 WeakPolarHBondContact O-CB 3.47Å; L1192-V1197 VanDerWaalsContact O-CG2 3.3Å; L1192-V1197 WeakPolarHBondContact O-CG2 3.46Å; L1192-V1197 PolarHBondContact O-N 3.02Å; L1192-R1203 HydrophobicContact CB-CG 3.99Å; L1192-R1203 HydrophobicContact CD1-CB 4.18Å; L1192-R1203 HydrophobicContact CD1-CG 4.45Å; L1192-I1206 HydrophobicContact CD1-CB 4.33Å; L1192-I1206 HydrophobicContact CD1-CG2 4.2Å; L1192-I1206 HydrophobicContact CD2-CB 4.43Å; L1192-I1206 HydrophobicContact CD2-CD1 3.96Å; L1192-I1206 HydrophobicContact CD2-CG2 3.92Å; L1192-L1207 HydrophobicContact CD1-CD1 4.14Å; L1192-L1207 HydrophobicContact CD1-CD2 3.67Å; L1192-L1207 HydrophobicContact CD1-CG 3.62Å
1193	C	77.9	Confident	78.7	Confident	18 Å²	18	44 Å²	44	12%	0.122	27%	0.267	C	S	.	.	H	α-helix	trans	-62.7	-49.9	173.2	-60.8	0	0	0	0	112.5	D1111 E1189 E1190 D1191 A1195 G1196 R1203	D1111-C1193 PolarHBondContact OD1-SG 2.71Å; D1111-C1193 WeakPolarHBondContact OD2-CB 3.39Å; D1111-C1193 PolarHBondContact OD2-SG 3.47Å; E1189-C1193 PolarHBondContact O-N 3.18Å; E1189-C1193 PolarHBondContact O-SG 3.07Å; E1190-C1193 WeakPolarHBondContact O-CB 3.24Å; E1190-C1193 PolarHBondContact O-N 2.92Å; E1190-C1193 VanDerWaalsContact O-N 3.17Å; D1191-C1193 VanDerWaalsContact C-N 3.33Å; C1193-A1195 PolarHBondContact O-N 3.46Å; C1193-G1196 WeakPolarHBondContact O-CA 3.41Å; C1193-G1196 PolarHBondContact O-N 2.82Å; C1193-R1203 WeakPolarHBondContact SG-CD 3.43Å; C1193-R1203 PolarHBondContact SG-NH1 3.4Å
1194	A	63.4	Low	79.8	Confident	64 Å²	64	44.9 Å²	44.9	53%	0.529	27%	0.269	S	S	.	.	H	α-helix	trans	-62	-26.8	178.4	0	0	0	0	0	112.7	E1190 D1191 G1196	E1190-A1194 PolarHBondContact O-N 3.2Å; D1191-A1194 PolarHBondContact O-N 3.31Å; A1194-G1196 VanDerWaalsContact C-N 3.29Å
1195	A	71.4	Confident	80.2	Confident	6 Å²	6	50.8 Å²	50.8	5%	0.05	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	6.2	170.9	0	0	0	0	0	114.8	G1172 L1173 D1191 L1192 C1193	G1172-A1195 CarbonylContact C-O 3.58Å; G1172-A1195 WeakPolarHBondContact CA-O 3.44Å; L1173-A1195 HydrophobicContact CB-CB 4.48Å; L1173-A1195 HydrophobicContact CD2-CB 3.29Å; L1173-A1195 HydrophobicContact CG-CB 3.76Å; D1191-A1195 WeakPolarHBondContact O-CB 3.27Å; D1191-A1195 PolarHBondContact O-N 3.15Å; L1192-A1195 PolarHBondContact O-N 3.44Å; C1193-A1195 PolarHBondContact O-N 3.46Å
1196	G	78.2	Confident	80.9	Confident	38 Å²	38	49.1 Å²	49.1	39%	0.392	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.2	9.9	175.7	0	0	0	0	0	115.7	Y1169 L1192 C1193 A1194 T1198	Y1169-G1196 VanDerWaalsContact CE1-O 3.32Å; Y1169-G1196 WeakPolarHBondContact CE1-O 3.18Å; L1192-G1196 PolarHBondContact O-N 3.12Å; C1193-G1196 WeakPolarHBondContact O-CA 3.41Å; C1193-G1196 PolarHBondContact O-N 2.82Å; A1194-G1196 VanDerWaalsContact C-N 3.29Å; G1196-T1198 PolarHBondContact O-N 3.43Å
1197	V	86.7	Confident	81.5	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.266	C	S	.	.			trans	-82	63	176.3	-163.1	0	0	0	0	110.5	Y1169 L1173 L1192 N1199 H1202 R1203 I1206	Y1169-V1197 HydrophobicContact CD1-CB 4.24Å; Y1169-V1197 HydrophobicContact CD1-CG1 4.36Å; Y1169-V1197 HydrophobicContact CD1-CG2 3.84Å; Y1169-V1197 HydrophobicContact CD2-CG1 4.15Å; Y1169-V1197 HydrophobicContact CD2-CG2 4.4Å; Y1169-V1197 HydrophobicContact CE1-CB 4.33Å; Y1169-V1197 HydrophobicContact CE1-CG1 4.24Å; Y1169-V1197 HydrophobicContact CE1-CG2 4.43Å; Y1169-V1197 HydrophobicContact CE2-CG1 4.03Å; Y1169-V1197 HydrophobicContact CG-CB 4.48Å; Y1169-V1197 HydrophobicContact CG-CG1 4.31Å; Y1169-V1197 HydrophobicContact CG-CG2 3.82Å; L1173-V1197 HydrophobicContact CD1-CG2 4.24Å; L1192-V1197 HydrophobicContact CB-CB 4.14Å; L1192-V1197 HydrophobicContact CB-CG2 4.32Å; L1192-V1197 HydrophobicContact CD2-CG2 4.07Å; L1192-V1197 WeakPolarHBondContact O-CA 3.48Å; L1192-V1197 WeakPolarHBondContact O-CB 3.47Å; L1192-V1197 VanDerWaalsContact O-CG2 3.3Å; L1192-V1197 WeakPolarHBondContact O-CG2 3.46Å; L1192-V1197 PolarHBondContact O-N 3.02Å; V1197-N1199 PolarHBondContact O-N 3.42Å; V1197-H1202 HydrophobicContact CG1-CB 3.93Å; V1197-R1203 HydrophobicContact CB-CG 4.02Å; V1197-R1203 HydrophobicContact CG1-CG 3.7Å; V1197-R1203 WeakPolarHBondContact O-CD 3.49Å; V1197-R1203 WeakPolarHBondContact O-CG 3.49Å; V1197-R1203 PolarHBondContact O-NH1 3.1Å; V1197-I1206 HydrophobicContact CG1-CD1 4.16Å
1198	T	84.3	Confident	81.6	Confident	107 Å²	107	54 Å²	54	66%	0.656	29%	0.292	S	S	*	.			trans	-70.2	2.6	-174.6	56.2	0	0	0	0	115.7	G1196	G1196-T1198 PolarHBondContact O-N 3.43Å
1199	N	88.6	Confident	81.5	Confident	60 Å²	60	53 Å²	53	32%	0.321	28%	0.284	S	S	.	.			trans	-105.2	115.3	179.7	-176.1	-29.6	0	0	0	110.8	V1197 S1201 H1202 R1203	V1197-N1199 PolarHBondContact O-N 3.42Å; N1199-S1201 VanDerWaalsContact C-N 3.28Å; N1199-S1201 PolarHBondContact O-N 3.41Å; N1199-S1201 PolarHBondContact OD1-N 3.14Å; N1199-S1201 PolarHBondContact OD1-OG 3.31Å; N1199-H1202 HydrophobicContact CB-CB 4.23Å; N1199-H1202 PolarHBondContact ND2-CE1 3.02Å; N1199-H1202 WeakPolarHBondContact O-CB 3.25Å; N1199-H1202 PolarHBondContact O-N 2.9Å; N1199-R1203 PolarHBondContact O-N 2.78Å
1200	P	80.7	Confident	81.5	Confident	51 Å²	51	50.4 Å²	50.4	33%	0.331	27%	0.272	S	S	.	.	H	α-helix	trans	-58.6	-29.9	-177.5	-26.5	34.6	0	0	0	115.3	F1113 H1202 R1204	F1113-P1200 HydrophobicContact CE1-CB 4.26Å; F1113-P1200 HydrophobicContact CZ-CB 4.23Å; P1200-H1202 VanDerWaalsContact C-N 3.35Å; P1200-R1204 WeakPolarHBondContact O-CB 3.49Å; P1200-R1204 PolarHBondContact O-N 3.49Å
1201	S	80.4	Confident	81.5	Confident	70 Å²	70	45.6 Å²	45.6	49%	0.49	25%	0.252	S	S	.	.	H	α-helix	trans	-73.4	-30.4	177.2	72.9	0	0	0	0	112.1	N1199 R1205	N1199-S1201 VanDerWaalsContact C-N 3.28Å; N1199-S1201 PolarHBondContact O-N 3.41Å; N1199-S1201 PolarHBondContact OD1-N 3.14Å; N1199-S1201 PolarHBondContact OD1-OG 3.31Å; S1201-R1205 VanDerWaalsContact O-CB 3.27Å; S1201-R1205 WeakPolarHBondContact O-CB 3.45Å; S1201-R1205 PolarHBondContact O-N 2.89Å; S1201-R1205 VanDerWaalsContact O-N 3.13Å
1202	H	91.7	Very high	81.3	Confident	39 Å²	39	50.7 Å²	50.7	18%	0.181	27%	0.27	C	S	.	.	H	α-helix	trans	-74.6	-41.9	173.7	-58.8	164.6	0	0	0	110.9	L1166 Y1169 V1197 N1199 P1200 R1205 I1206	L1166-H1202 HydrophobicContact CD1-CB 4.19Å; L1166-H1202 HydrophobicContact CD2-CB 3.84Å; L1166-H1202 VanDerWaalsContact CD2-CD2 3.48Å; L1166-H1202 WeakPolarHBondContact CD2-CD2 3.31Å; L1166-H1202 VanDerWaalsContact CD2-CG 3.49Å; Y1169-H1202 HydrophobicContact CE2-CB 4.07Å; Y1169-H1202 AromaticContact CE2-ND1 3.44Å; Y1169-H1202 WeakPolarHBondContact CE2-ND1 3.26Å; Y1169-H1202 AromaticContact CZ-ND1 3.62Å; Y1169-H1202 PolarHBondContact OH-ND1 2.71Å; V1197-H1202 HydrophobicContact CG1-CB 3.93Å; N1199-H1202 HydrophobicContact CB-CB 4.23Å; N1199-H1202 PolarHBondContact ND2-CE1 3.02Å; N1199-H1202 WeakPolarHBondContact O-CB 3.25Å; N1199-H1202 PolarHBondContact O-N 2.9Å; P1200-H1202 VanDerWaalsContact C-N 3.35Å; H1202-R1205 PolarHBondContact O-N 2.91Å; H1202-I1206 VanDerWaalsContact O-CG1 3.31Å; H1202-I1206 WeakPolarHBondContact O-CG1 3.3Å; H1202-I1206 PolarHBondContact O-N 3.38Å
1203	R	92.6	Very high	80.4	Confident	1 Å²	1	54.4 Å²	54.4	0%	0.004	29%	0.29	C	S	.	.	H	α-helix	trans	-58.4	-53.6	174.6	-65	-166.7	-64.3	-124.3	24	111.3	D1111 F1113 E1189 L1192 C1193 V1197 N1199 R1205 I1206 L1207	D1111-R1203 IonicContact OD1-CZ 2.68Å; D1111-R1203 IonicContact OD1-NH1 2.83Å; D1111-R1203 PolarHBondContact OD1-NH1 3.04Å; D1111-R1203 IonicContact OD1-NH2 3.66Å; D1111-R1203 PolarHBondContact OD1-NH2 3.28Å; F1113-R1203 VanDerWaalsContact CE2-NH2 3.32Å; E1189-R1203 WeakPolarHBondContact OE1-CB 3.46Å; E1189-R1203 IonicContact OE1-CZ 3.74Å; E1189-R1203 IonicContact OE1-NE 2.68Å; E1189-R1203 PolarHBondContact OE1-NE 2.8Å; E1189-R1203 IonicContact OE1-NH2 3.44Å; L1192-R1203 HydrophobicContact CB-CG 3.99Å; L1192-R1203 HydrophobicContact CD1-CB 4.18Å; L1192-R1203 HydrophobicContact CD1-CG 4.45Å; C1193-R1203 WeakPolarHBondContact SG-CD 3.43Å; C1193-R1203 PolarHBondContact SG-NH1 3.4Å; V1197-R1203 HydrophobicContact CB-CG 4.02Å; V1197-R1203 HydrophobicContact CG1-CG 3.7Å; V1197-R1203 WeakPolarHBondContact O-CD 3.49Å; V1197-R1203 WeakPolarHBondContact O-CG 3.49Å; V1197-R1203 PolarHBondContact O-NH1 3.1Å; N1199-R1203 PolarHBondContact O-N 2.78Å; R1203-R1205 VanDerWaalsContact C-N 3.34Å; R1203-R1205 PolarHBondContact O-N 3.49Å; R1203-I1206 PolarHBondContact O-N 3.03Å; R1203-I1206 VanDerWaalsContact O-N 3.09Å; R1203-L1207 WeakPolarHBondContact O-CG 3.49Å; R1203-L1207 PolarHBondContact O-N 2.69Å
1204	R	86.1	Confident	79.8	Confident	142 Å²	142	57.5 Å²	57.5	54%	0.536	30%	0.299	S	S	.	.	H	α-helix	trans	-53.9	-48.8	176	-177	176.9	-56	148.5	8.8	112.2	P1200 I1206 L1207 E1208	P1200-R1204 WeakPolarHBondContact O-CB 3.49Å; P1200-R1204 PolarHBondContact O-N 3.49Å; R1204-I1206 PolarHBondContact O-N 3.06Å; R1204-L1207 PolarHBondContact O-N 3.47Å; R1204-L1207 VanDerWaalsContact O-N 3.13Å; R1204-E1208 VanDerWaalsContact CD-OE1 3.23Å; R1204-E1208 WeakPolarHBondContact CD-OE1 3.28Å; R1204-E1208 VanDerWaalsContact CG-CD 3.4Å; R1204-E1208 HydrophobicContact CG-CG 4.08Å; R1204-E1208 WeakPolarHBondContact CG-OE1 3.39Å; R1204-E1208 WeakPolarHBondContact O-CB 3.43Å; R1204-E1208 WeakPolarHBondContact O-CG 3.3Å; R1204-E1208 PolarHBondContact O-N 2.93Å
1205	R	85.9	Confident	79.1	Confident	123 Å²	123	65.2 Å²	65.2	46%	0.464	33%	0.331	S	S	.	.	H	α-helix	trans	-61.4	-31.7	-180	-171.8	173.6	-172	178.7	1.6	113	L1164 L1166 S1201 H1202 R1203 N1209	L1164-R1205 HydrophobicContact CD2-CG 4.17Å; L1164-R1205 PolarHBondContact O-NH1 2.83Å; L1164-R1205 VanDerWaalsContact O-NH1 3.17Å; L1166-R1205 HydrophobicContact CD1-CB 4.42Å; S1201-R1205 VanDerWaalsContact O-CB 3.27Å; S1201-R1205 WeakPolarHBondContact O-CB 3.45Å; S1201-R1205 PolarHBondContact O-N 2.89Å; S1201-R1205 VanDerWaalsContact O-N 3.13Å; H1202-R1205 PolarHBondContact O-N 2.91Å; R1203-R1205 VanDerWaalsContact C-N 3.34Å; R1203-R1205 PolarHBondContact O-N 3.49Å; R1205-N1209 WeakPolarHBondContact O-CB 3.16Å; R1205-N1209 PolarHBondContact O-ND2 2.77Å
1206	I	88.3	Confident	79.5	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-72.5	-50.1	172.2	-66.3	164.2	0	0	0	110.5	L1161 L1164 L1166 F1184 L1192 V1197 H1202 R1203 R1204 E1208 N1209 L1210	L1161-I1206 HydrophobicContact CD2-CD1 3.62Å; L1161-I1206 HydrophobicContact CD2-CG1 3.88Å; L1164-I1206 HydrophobicContact CD1-CG1 4.29Å; L1166-I1206 HydrophobicContact CD1-CD1 3.92Å; L1166-I1206 HydrophobicContact CD1-CG1 3.59Å; F1184-I1206 HydrophobicContact CE1-CG2 3.64Å; F1184-I1206 HydrophobicContact CZ-CG2 3.59Å; L1192-I1206 HydrophobicContact CD1-CB 4.33Å; L1192-I1206 HydrophobicContact CD1-CG2 4.2Å; L1192-I1206 HydrophobicContact CD2-CB 4.43Å; L1192-I1206 HydrophobicContact CD2-CD1 3.96Å; L1192-I1206 HydrophobicContact CD2-CG2 3.92Å; V1197-I1206 HydrophobicContact CG1-CD1 4.16Å; H1202-I1206 VanDerWaalsContact O-CG1 3.31Å; H1202-I1206 WeakPolarHBondContact O-CG1 3.3Å; H1202-I1206 PolarHBondContact O-N 3.38Å; R1203-I1206 PolarHBondContact O-N 3.03Å; R1203-I1206 VanDerWaalsContact O-N 3.09Å; R1204-I1206 PolarHBondContact O-N 3.06Å; I1206-E1208 VanDerWaalsContact C-N 3.3Å; I1206-E1208 PolarHBondContact O-N 3.2Å; I1206-N1209 CarbonylContact O-C 3.57Å; I1206-N1209 PolarHBondContact O-N 2.63Å; I1206-L1210 HydrophobicContact CG2-CD2 4.05Å; I1206-L1210 WeakPolarHBondContact O-CG 3.41Å; I1206-L1210 PolarHBondContact O-N 3.18Å
1207	L	86.9	Confident	79.5	Confident	32 Å²	32	69.8 Å²	69.8	17%	0.168	34%	0.343	C	S	.	.	H	α-helix	trans	-60.8	-34.9	-178.8	-67.5	170.6	0	0	0	113.2	I1187 E1189 L1192 R1203 R1204 N1209 L1210 N1213	I1187-L1207 HydrophobicContact CG2-CD2 4.41Å; E1189-L1207 HydrophobicContact CB-CD1 3.98Å; L1192-L1207 HydrophobicContact CD1-CD1 4.14Å; L1192-L1207 HydrophobicContact CD1-CD2 3.67Å; L1192-L1207 HydrophobicContact CD1-CG 3.62Å; R1203-L1207 WeakPolarHBondContact O-CG 3.49Å; R1203-L1207 PolarHBondContact O-N 2.69Å; R1204-L1207 PolarHBondContact O-N 3.47Å; R1204-L1207 VanDerWaalsContact O-N 3.13Å; L1207-N1209 VanDerWaalsContact C-N 3.33Å; L1207-L1210 HydrophobicContact CD2-CD1 4.1Å; L1207-N1213 PolarHBondContact O-ND2 3.02Å
1208	E	83.3	Confident	79.1	Confident	115 Å²	115	73.7 Å²	73.7	54%	0.537	36%	0.362	S	S	.	.	H	α-helix	trans	-72.1	-23.8	174.6	-73.3	168.7	169.1	0	0	112.8	R1204 I1206 N1213	R1204-E1208 VanDerWaalsContact CD-OE1 3.23Å; R1204-E1208 WeakPolarHBondContact CD-OE1 3.28Å; R1204-E1208 VanDerWaalsContact CG-CD 3.4Å; R1204-E1208 HydrophobicContact CG-CG 4.08Å; R1204-E1208 WeakPolarHBondContact CG-OE1 3.39Å; R1204-E1208 WeakPolarHBondContact O-CB 3.43Å; R1204-E1208 WeakPolarHBondContact O-CG 3.3Å; R1204-E1208 PolarHBondContact O-N 2.93Å; I1206-E1208 VanDerWaalsContact C-N 3.3Å; I1206-E1208 PolarHBondContact O-N 3.2Å; E1208-N1213 PolarHBondContact O-ND2 2.67Å
1209	N	80.6	Confident	78.8	Confident	32 Å²	32	71.7 Å²	71.7	17%	0.171	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.8	24	-176.7	-69.2	-93.9	0	0	0	113	L1160 L1164 R1205 I1206 L1207 W1214	L1160-N1209 HydrophobicContact CD1-CB 4.42Å; L1164-N1209 HydrophobicContact CD1-CB 4Å; L1164-N1209 HydrophobicContact CD2-CB 3.92Å; R1205-N1209 WeakPolarHBondContact O-CB 3.16Å; R1205-N1209 PolarHBondContact O-ND2 2.77Å; I1206-N1209 CarbonylContact O-C 3.57Å; I1206-N1209 PolarHBondContact O-N 2.63Å; L1207-N1209 VanDerWaalsContact C-N 3.33Å; N1209-W1214 WeakPolarHBondContact O-CZ2 3.34Å; N1209-W1214 PolarHBondContact O-NE1 3.31Å
1210	L	81.8	Confident	78.2	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	35%	0.346	C	S	.	.	S	Bend	trans	-67.6	153.8	175.3	-65.4	179.4	0	0	0	112.2	F1184 I1187 I1206 L1207 R1212 N1213 W1214	F1184-L1210 HydrophobicContact CD1-CD2 3.61Å; F1184-L1210 HydrophobicContact CE1-CD2 3.54Å; I1187-L1210 HydrophobicContact CG2-CD1 4.11Å; I1187-L1210 HydrophobicContact CG2-CD2 3.67Å; I1206-L1210 HydrophobicContact CG2-CD2 4.05Å; I1206-L1210 WeakPolarHBondContact O-CG 3.41Å; I1206-L1210 PolarHBondContact O-N 3.18Å; L1207-L1210 HydrophobicContact CD2-CD1 4.1Å; L1210-R1212 HydrophobicContact CB-CG 3.96Å; L1210-R1212 VanDerWaalsContact CD1-CZ 3.42Å; L1210-R1212 PolarHBondContact O-N 2.88Å; L1210-R1212 VanDerWaalsContact O-N 3.08Å; L1210-N1213 WeakPolarHBondContact O-CB 3.42Å; L1210-N1213 PolarHBondContact O-N 3.16Å; L1210-W1214 PolarHBondContact O-NE1 2.97Å
1211	P	69.8	Low	78.1	Confident	32 Å²	32	73.9 Å²	73.9	21%	0.208	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-51.4	-34.9	177.3	-28.2	33.7	0	0	0	114.8	L1181 N1213 W1214	L1181-P1211 HydrophobicContact CB-CG 4.49Å; L1181-P1211 HydrophobicContact CD2-CG 3.87Å; P1211-N1213 PolarHBondContact O-N 2.88Å; P1211-N1213 VanDerWaalsContact O-N 3.11Å; P1211-W1214 HydrophobicContact CB-CD2 4.48Å; P1211-W1214 HydrophobicContact CB-CE3 4.2Å; P1211-W1214 HydrophobicContact CB-CH2 4.15Å; P1211-W1214 HydrophobicContact CB-CZ2 4.44Å; P1211-W1214 HydrophobicContact CB-CZ3 4.04Å; P1211-W1214 HydrophobicContact CG-CH2 3.71Å; P1211-W1214 HydrophobicContact CG-CZ2 4.01Å; P1211-W1214 HydrophobicContact CG-CZ3 4.07Å; P1211-W1214 PolarHBondContact O-N 3.32Å; P1211-W1214 VanDerWaalsContact O-N 3.13Å
1212	R	68.3	Low	77.9	Confident	134 Å²	134	74.1 Å²	74.1	51%	0.506	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-64.2	-11.3	176.5	61.4	166.2	-172.1	-125.6	8.2	114.7	S1185 L1210	S1185-R1212 VanDerWaalsContact O-CD 3.23Å; S1185-R1212 WeakPolarHBondContact O-CD 3.42Å; S1185-R1212 PolarHBondContact O-NH1 3.39Å; L1210-R1212 HydrophobicContact CB-CG 3.96Å; L1210-R1212 VanDerWaalsContact CD1-CZ 3.42Å; L1210-R1212 PolarHBondContact O-N 2.88Å; L1210-R1212 VanDerWaalsContact O-N 3.08Å
1213	N	62.1	Low	76.8	Confident	78 Å²	78	76.8 Å²	76.8	42%	0.417	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-102.8	-2.6	178.5	-54.1	-10.5	0	0	0	112.6	L1207 E1208 L1210 P1211 N1215	L1207-N1213 PolarHBondContact O-ND2 3.02Å; E1208-N1213 PolarHBondContact O-ND2 2.67Å; L1210-N1213 WeakPolarHBondContact O-CB 3.42Å; L1210-N1213 PolarHBondContact O-N 3.16Å; P1211-N1213 PolarHBondContact O-N 2.88Å; P1211-N1213 VanDerWaalsContact O-N 3.11Å; N1213-N1215 PolarHBondContact O-N 3.46Å
1214	W	64.9	Low	75.5	Confident	83 Å²	83	83.2 Å²	83.2	31%	0.314	38%	0.378	S	S	.	.			trans	-90.7	85.8	-178.4	-52.2	-16.4	0	0	0	110.6	A1153 P1154 L1160 N1209 L1210 P1211	A1153-W1214 HydrophobicContact CB-CE3 3.81Å; A1153-W1214 HydrophobicContact CB-CZ3 4.07Å; P1154-W1214 HydrophobicContact CG-CH2 3.6Å; P1154-W1214 HydrophobicContact CG-CZ2 3.96Å; P1154-W1214 HydrophobicContact CG-CZ3 4.31Å; L1160-W1214 HydrophobicContact CD1-CZ2 3.86Å; L1160-W1214 HydrophobicContact CD2-CH2 4.38Å; L1160-W1214 HydrophobicContact CD2-CZ2 3.98Å; L1160-W1214 HydrophobicContact CG-CZ2 4.47Å; N1209-W1214 WeakPolarHBondContact O-CZ2 3.34Å; N1209-W1214 PolarHBondContact O-NE1 3.31Å; L1210-W1214 PolarHBondContact O-NE1 2.97Å; P1211-W1214 HydrophobicContact CB-CD2 4.48Å; P1211-W1214 HydrophobicContact CB-CE3 4.2Å; P1211-W1214 HydrophobicContact CB-CH2 4.15Å; P1211-W1214 HydrophobicContact CB-CZ2 4.44Å; P1211-W1214 HydrophobicContact CB-CZ3 4.04Å; P1211-W1214 HydrophobicContact CG-CH2 3.71Å; P1211-W1214 HydrophobicContact CG-CZ2 4.01Å; P1211-W1214 HydrophobicContact CG-CZ3 4.07Å; P1211-W1214 PolarHBondContact O-N 3.32Å; P1211-W1214 VanDerWaalsContact O-N 3.13Å
1215	N	48.5	Very low	74.6	Confident	227 Å²	227	77.8 Å²	77.8	100%	1.214	36%	0.364	S	S	*	.			trans	-125.6	0	167.5	-71.8	-68.4	0	0	0	110	N1213	N1213-N1215 PolarHBondContact O-N 3.46Å

Retrieved 1,215 of 1,215 residues in 414.6 ms (Link to these results)

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