A0A3Q0KE68_SCHMA Loading...

Peptide-N(4)-(N-acetyl-beta-glucosaminyl)asparagine amidase

Specifically deglycosylates the denatured form of N-linked glycoproteins in the cytoplasm and assists their proteasome-mediated degradation. Cleaves the beta-aspartyl-glucosamine (GlcNAc) of the glycan and the amide side chain of Asn, converting Asn to Asp. Prefers proteins containing high-mannose over those bearing complex type oligosaccharides. Can recognize misfolded proteins in the endoplasmic reticulum that are exported to the cytosol to be destroyed and deglycosylate them, while it has no activity toward native proteins. Deglycosylation is a prerequisite for subsequent proteasome-mediated degradation of some, but not all, misfolded glycoproteins.

AlphaFold DB , UniProt , Accession A0A3Q0KE68, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 825 aa.

						>A0A3Q0KE68_SCHMA|A0A3Q0KE68
MRVVEDTFEFEKTLRKCSESEKILVIDFYADWCGPCCRIAPQFEALSIEFQQRNFVFVKVNTERCLELSRKEGISALPTFKLYHDEKCIETIVGSNVGRLRHILNEFSLDNSIIQLKLNKNHFERLRAYGCLHKICDRILSHPQEDKFRHISLDSSDFMETLLVVPGCMDFLFSAGFQEADNAFVLPATFDVGRLKELFIQLRSCLPVSSVKVNQDSLELRSSELSFVNRLLEYRSFVVNYMDLELQTRARELIPTEQLLLSASQNNSCSVDNVEPRDFLRELLIWFKSEFFKWADDFVCKTCGGKMVACSNDQPRLDEMNDGGANVVEIYQCKTNRTHPSYRFPRYNNPRKLLETRLGRCGEWANCFTLFLVSAERHTNQPWFDACRLVMDWTDHVWCEVWLKDKHSDKKIWVHCDPCEVQLDKPLLYESGWNKKINYIMAYTVPPRSLYQKLDNTTKSVAVDIQDVTWRYTQKFSEVQSRRNMIRESVLAYKLADIHTGAVKNWSLNNNPADIDQKPYCWDSIIDELVSFLHPSKCNDQLPGRQTGSLEWRQARGELGQTSLSVEPLLKGSKCIITPSNAELQSGIFHLRYNSALNIYQRPYYSNNNSNNAKTDTDVLDYQCSTNSPKAINQESTKLIENARKTGLYGWQSMVYQWRNIFRKVELDWHMVYLAREEDSKPSEDGIIIWMLDLRNTNYRVGKVSIFTNMVCHSTECHARLVLCSGEYPANNSCSGPEENKNPPCVPNSCLCLQPGSASLFNSEAMSGADFLTLKARLWNDDESTGKPSSVAWQQAQLFRQKDSDFDTWSLEWKVELVKINETVN
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	88.9	Confident	93.9	Very high	80 Å²	80	61.3 Å²	61.3	39%	0.394	29%	0.29	S	S	.	.				0	152.8	0	175.1	167.7	51.6	0	0	111.7	F43 E44 F57 K59	M1-F43 HydrophobicContact CE-CD1 3.55Å; M1-F43 HydrophobicContact CE-CE1 3.93Å; M1-F43 HydrophobicContact SD-CD1 3.57Å; M1-F43 VanDerWaalsContact SD-CD1 3.57Å; M1-F43 HydrophobicContact SD-CE1 3.29Å; M1-F43 WeakPolarHBondContact SD-CE1 3.4Å; M1-F43 HydrophobicContact SD-CZ 4.43Å; M1-E44 WeakPolarHBondContact CB-OE2 3.46Å; M1-E44 WeakPolarHBondContact CE-OE2 3.1Å; M1-E44 PolarHBondContact N-OE1 3.23Å; M1-F57 HydrophobicContact CG-CB 4.33Å; M1-F57 WeakPolarHBondContact CG-O 3.26Å; M1-F57 HydrophobicContact SD-CB 3.86Å; M1-K59 HydrophobicContact CE-CD 3.53Å; M1-K59 HydrophobicContact CE-CG 3.54Å; M1-K59 HydrophobicContact CG-CG 4.13Å; M1-K59 HydrophobicContact SD-CD 4.33Å; M1-K59 HydrophobicContact SD-CG 3.66Å
2	R	92.6	Very high	94.1	Very high	96 Å²	96	64.1 Å²	64.1	36%	0.362	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	154.9	177.8	66.8	170.4	166.8	149	-2.4	113.4	E9 T13 V58 K59	R2-E9 IonicContact NH1-OE1 3.77Å; R2-E9 PolarHBondContact NH1-OE1 2.87Å; R2-T13 VanDerWaalsContact CZ-OG1 3.25Å; R2-T13 PolarHBondContact NH1-OG1 3.28Å; R2-T13 VanDerWaalsContact NH1-OG1 3.11Å; R2-T13 PolarHBondContact NH2-OG1 3.07Å; R2-V58 HydrophobicContact CG-CB 4.4Å; R2-V58 HydrophobicContact CG-CG1 3.73Å; R2-V58 WeakPolarHBondContact O-CA 3.12Å; R2-K59 PolarHBondContact O-N 2.89Å
3	V	95.1	Very high	94.3	Very high	44 Å²	44	59.2 Å²	59.2	27%	0.267	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	133.3	169.3	-175.4	0	0	0	0	108.3	K59	V3-K59 CarbonylContact C-O 3.52Å; V3-K59 WeakPolarHBondContact CA-O 3.39Å; V3-K59 HydrophobicContact CG2-CB 4.39Å
4	V	95.4	Very high	94.3	Very high	1 Å²	1	56 Å²	56	1%	0.006	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	121.7	172.3	169.3	0	0	0	0	107.6	E9 F10 V58 K59 V60	V4-E9 WeakPolarHBondContact CA-OE2 3.26Å; V4-E9 HydrophobicContact CG1-CB 4.08Å; V4-E9 HydrophobicContact CG1-CG 4.26Å; V4-F10 HydrophobicContact CG1-CB 3.82Å; V4-V58 HydrophobicContact CG2-CB 4Å; V4-V58 HydrophobicContact CG2-CG1 4.29Å; V4-V58 HydrophobicContact CG2-CG2 4.05Å; V4-K59 PolarHBondContact N-O 3.02Å; V4-V60 HydrophobicContact CB-CG2 3.95Å; V4-V60 HydrophobicContact CG1-CG2 4.29Å
5	E	92.8	Very high	94.5	Very high	87 Å²	87	60.1 Å²	60.1	41%	0.407	28%	0.275	S	S	.	.			trans	-97.2	-15.5	-167.5	-63.4	-69.1	167.9	0	0	114.2	E9 R64 C65	E5-E9 PolarHBondContact N-OE2 3.32Å; E5-R64 IonicContact OE2-NH1 3.92Å; E5-C65 PolarHBondContact O-SG 2.82Å
6	D	93.2	Very high	94.5	Very high	78 Å²	78	63.4 Å²	63.4	42%	0.417	29%	0.288	S	S	.	.	S	Bend	trans	-155.1	173	177.3	64.6	44.3	0	0	0	113.7	F8 E9 F10	D6-F8 VanDerWaalsContact C-N 3.28Å; D6-F8 PolarHBondContact O-N 3.46Å; D6-F8 WeakPolarHBondContact OD1-CA 3.16Å; D6-F8 WeakPolarHBondContact OD1-CB 3.17Å; D6-F8 PolarHBondContact OD1-N 2.57Å; D6-E9 PolarHBondContact O-N 2.64Å; D6-E9 PolarHBondContact OD1-N 3.07Å; D6-F10 PolarHBondContact O-N 2.89Å; D6-F10 VanDerWaalsContact O-N 3.13Å
7	T	93.1	Very high	94.4	Very high	19 Å²	19	60.1 Å²	60.1	12%	0.117	27%	0.274	C	S	.	.	H	α-helix	trans	-60.7	-34.4	179.4	-48.9	0	0	0	0	112.5	F10 E11 E67 K71	T7-F10 WeakPolarHBondContact O-CB 3.06Å; T7-F10 PolarHBondContact O-N 3.13Å; T7-E11 WeakPolarHBondContact O-CG 3.31Å; T7-E11 PolarHBondContact O-N 2.86Å; T7-E11 VanDerWaalsContact O-N 3.08Å; T7-E67 PolarHBondContact OG1-OE2 3.46Å; T7-K71 HydrophobicContact CG2-CD 4.33Å
8	F	94.5	Very high	94.2	Very high	136 Å²	136	58.5 Å²	58.5	60%	0.596	27%	0.271	S	S	*	.	H	α-helix	trans	-71.5	-41.7	-178.8	174.5	-97.3	0	0	0	111.5	D6 F10 E11 K12	D6-F8 VanDerWaalsContact C-N 3.28Å; D6-F8 PolarHBondContact O-N 3.46Å; D6-F8 WeakPolarHBondContact OD1-CA 3.16Å; D6-F8 WeakPolarHBondContact OD1-CB 3.17Å; D6-F8 PolarHBondContact OD1-N 2.57Å; F8-F10 VanDerWaalsContact C-N 3.32Å; F8-E11 PolarHBondContact O-N 3.42Å; F8-K12 WeakPolarHBondContact O-CB 3.27Å; F8-K12 PolarHBondContact O-N 3.35Å
9	E	95.4	Very high	94.1	Very high	49 Å²	49	63.2 Å²	63.2	23%	0.229	29%	0.293	C	S	.	.	H	α-helix	trans	-65.5	-37.2	174.8	-171.3	-174.7	179.9	0	0	111.4	R2 V4 E5 D6 K12 T13	R2-E9 IonicContact NH1-OE1 3.77Å; R2-E9 PolarHBondContact NH1-OE1 2.87Å; V4-E9 WeakPolarHBondContact CA-OE2 3.26Å; V4-E9 HydrophobicContact CG1-CB 4.08Å; V4-E9 HydrophobicContact CG1-CG 4.26Å; E5-E9 PolarHBondContact N-OE2 3.32Å; D6-E9 PolarHBondContact O-N 2.64Å; D6-E9 PolarHBondContact OD1-N 3.07Å; E9-K12 PolarHBondContact O-N 3.37Å; E9-T13 VanDerWaalsContact O-CB 3.28Å; E9-T13 WeakPolarHBondContact O-CB 3.34Å; E9-T13 PolarHBondContact O-N 3.01Å; E9-T13 PolarHBondContact O-OG1 3.42Å
10	F	96.3	Very high	93.8	Very high	2 Å²	2	63.1 Å²	63.1	1%	0.009	30%	0.3	C	S	.	.	H	α-helix	trans	-58.5	-52.7	172.7	168.9	-103.1	0	0	0	111.7	V4 D6 T7 F8 K12 T13 L14 I26 L68 E72 Y83	V4-F10 HydrophobicContact CG1-CB 3.82Å; D6-F10 PolarHBondContact O-N 2.89Å; D6-F10 VanDerWaalsContact O-N 3.13Å; T7-F10 WeakPolarHBondContact O-CB 3.06Å; T7-F10 PolarHBondContact O-N 3.13Å; F8-F10 VanDerWaalsContact C-N 3.32Å; F10-K12 VanDerWaalsContact C-N 3.35Å; F10-K12 PolarHBondContact O-N 2.75Å; F10-T13 WeakPolarHBondContact O-CA 3.39Å; F10-T13 WeakPolarHBondContact O-CB 3.5Å; F10-T13 PolarHBondContact O-N 2.86Å; F10-L14 HydrophobicContact CD1-CD1 4.01Å; F10-L14 HydrophobicContact CE1-CD1 3.38Å; F10-L14 HydrophobicContact CE1-CG 4.31Å; F10-L14 HydrophobicContact CE2-CD1 4.02Å; F10-L14 HydrophobicContact CE2-CG 4.18Å; F10-L14 HydrophobicContact CZ-CD1 3.4Å; F10-L14 VanDerWaalsContact CZ-CD1 3.4Å; F10-L14 HydrophobicContact CZ-CD2 4.47Å; F10-L14 HydrophobicContact CZ-CG 4.06Å; F10-L14 PolarHBondContact O-N 2.98Å; F10-I26 HydrophobicContact CD2-CD1 3.76Å; F10-I26 HydrophobicContact CE2-CD1 3.39Å; F10-L68 HydrophobicContact CB-CD1 4.05Å; F10-L68 HydrophobicContact CB-CD2 3.71Å; F10-L68 HydrophobicContact CD1-CD1 3.38Å; F10-L68 HydrophobicContact CD2-CD1 4.13Å; F10-L68 HydrophobicContact CD2-CD2 4.18Å; F10-L68 HydrophobicContact CE1-CD1 3.71Å; F10-L68 HydrophobicContact CE2-CD1 4.41Å; F10-L68 HydrophobicContact CG-CD1 3.59Å; F10-L68 HydrophobicContact CG-CD2 3.91Å; F10-L68 HydrophobicContact CG-CG 4.42Å; F10-L68 HydrophobicContact CZ-CD1 4.2Å; F10-E72 WeakPolarHBondContact CE1-OE1 3.35Å; F10-E72 HydrophobicContact CZ-CG 4.26Å; F10-E72 WeakPolarHBondContact CZ-OE1 3.21Å; F10-Y83 HydrophobicContact CE2-CE2 4.24Å; F10-Y83 HydrophobicContact CZ-CE1 4.01Å; F10-Y83 HydrophobicContact CZ-CE2 4.48Å; F10-Y83 AromaticContact CZ-CZ 3.86Å
11	E	96	Very high	93.4	Very high	82 Å²	82	67.2 Å²	67.2	38%	0.383	32%	0.319	S	S	.	.	H	α-helix	trans	-62.6	-40.6	179.4	-71.1	174.4	178.9	0	0	112.1	T7 F8 T13 L14 R15 K71	T7-E11 WeakPolarHBondContact O-CG 3.31Å; T7-E11 PolarHBondContact O-N 2.86Å; T7-E11 VanDerWaalsContact O-N 3.08Å; F8-E11 PolarHBondContact O-N 3.42Å; E11-T13 VanDerWaalsContact C-N 3.26Å; E11-T13 PolarHBondContact O-N 3.26Å; E11-L14 PolarHBondContact O-N 2.98Å; E11-R15 PolarHBondContact O-N 2.85Å; E11-R15 VanDerWaalsContact O-N 3.11Å; E11-K71 IonicContact OE1-NZ 2.78Å; E11-K71 PolarHBondContact OE1-NZ 2.89Å
12	K	96.5	Very high	93.4	Very high	95 Å²	95	67.2 Å²	67.2	41%	0.413	32%	0.317	S	S	.	.	H	α-helix	trans	-61.8	-35.8	173.3	-174.4	179	-177.2	178.4	0	112.1	F8 E9 F10 K16	F8-K12 WeakPolarHBondContact O-CB 3.27Å; F8-K12 PolarHBondContact O-N 3.35Å; E9-K12 PolarHBondContact O-N 3.37Å; F10-K12 VanDerWaalsContact C-N 3.35Å; F10-K12 PolarHBondContact O-N 2.75Å; K12-K16 WeakPolarHBondContact O-CG 3.47Å; K12-K16 PolarHBondContact O-N 3.16Å
13	T	95.9	Very high	93.4	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-72	-42.8	178.6	-62.1	0	0	0	0	111.8	R2 E9 F10 E11 K16 C17 L24 V58	R2-T13 VanDerWaalsContact CZ-OG1 3.25Å; R2-T13 PolarHBondContact NH1-OG1 3.28Å; R2-T13 VanDerWaalsContact NH1-OG1 3.11Å; R2-T13 PolarHBondContact NH2-OG1 3.07Å; E9-T13 VanDerWaalsContact O-CB 3.28Å; E9-T13 WeakPolarHBondContact O-CB 3.34Å; E9-T13 PolarHBondContact O-N 3.01Å; E9-T13 PolarHBondContact O-OG1 3.42Å; F10-T13 WeakPolarHBondContact O-CA 3.39Å; F10-T13 WeakPolarHBondContact O-CB 3.5Å; F10-T13 PolarHBondContact O-N 2.86Å; E11-T13 VanDerWaalsContact C-N 3.26Å; E11-T13 PolarHBondContact O-N 3.26Å; T13-K16 PolarHBondContact O-N 2.86Å; T13-C17 PolarHBondContact O-N 3.31Å; T13-C17 PolarHBondContact O-SG 3.26Å; T13-L24 HydrophobicContact CG2-CD1 3.57Å; T13-L24 HydrophobicContact CG2-CD2 3.78Å; T13-L24 HydrophobicContact CG2-CG 4.32Å; T13-V58 HydrophobicContact CG2-CG1 4.36Å
14	L	95.1	Very high	93.4	Very high	15 Å²	15	61.2 Å²	61.2	8%	0.079	29%	0.29	C	S	.	.	H	α-helix	trans	-56.7	-52.9	174.7	-79.4	174.8	0	0	0	111.7	F10 E11 K16 C17 S18 L24 Y83 E86	F10-L14 HydrophobicContact CD1-CD1 4.01Å; F10-L14 HydrophobicContact CE1-CD1 3.38Å; F10-L14 HydrophobicContact CE1-CG 4.31Å; F10-L14 HydrophobicContact CE2-CD1 4.02Å; F10-L14 HydrophobicContact CE2-CG 4.18Å; F10-L14 HydrophobicContact CZ-CD1 3.4Å; F10-L14 VanDerWaalsContact CZ-CD1 3.4Å; F10-L14 HydrophobicContact CZ-CD2 4.47Å; F10-L14 HydrophobicContact CZ-CG 4.06Å; F10-L14 PolarHBondContact O-N 2.98Å; E11-L14 PolarHBondContact O-N 2.98Å; L14-K16 PolarHBondContact O-N 2.9Å; L14-C17 PolarHBondContact O-N 2.88Å; L14-C17 VanDerWaalsContact O-N 3.08Å; L14-S18 PolarHBondContact O-N 2.88Å; L14-L24 HydrophobicContact CD2-CD2 3.6Å; L14-L24 HydrophobicContact CG-CD2 4.05Å; L14-Y83 VanDerWaalsContact CD2-CB 3.48Å; L14-Y83 HydrophobicContact CD2-CD1 3.61Å; L14-Y83 HydrophobicContact CD2-CD2 4.12Å; L14-Y83 HydrophobicContact CD2-CE1 4.36Å; L14-Y83 HydrophobicContact CD2-CG 3.48Å; L14-Y83 VanDerWaalsContact CD2-CG 3.48Å; L14-E86 HydrophobicContact CB-CG 4.31Å
15	R	96.4	Very high	93.5	Very high	118 Å²	118	61.2 Å²	61.2	45%	0.445	29%	0.29	S	S	.	.	H	α-helix	trans	-58.6	-45.7	179.7	175.8	169.1	45	-139.5	-14.5	112.5	E11 C17 S18 E19 E86	E11-R15 PolarHBondContact O-N 2.85Å; E11-R15 VanDerWaalsContact O-N 3.11Å; R15-C17 VanDerWaalsContact C-N 3.27Å; R15-C17 PolarHBondContact O-N 3.39Å; R15-S18 PolarHBondContact O-N 3.25Å; R15-E19 HydrophobicContact CG-CG 4.37Å; R15-E19 VanDerWaalsContact CG-OE1 3.31Å; R15-E19 WeakPolarHBondContact CG-OE1 3.39Å; R15-E19 WeakPolarHBondContact O-CB 3.45Å; R15-E19 WeakPolarHBondContact O-CG 3.39Å; R15-E19 PolarHBondContact O-N 2.87Å; R15-E86 WeakPolarHBondContact CA-OE1 3.19Å
16	K	95.5	Very high	93.7	Very high	112 Å²	112	57 Å²	57	49%	0.487	27%	0.271	S	S	.	.	H	α-helix	trans	-60.2	-36.5	175.6	-78.7	-177.7	173.9	-165.4	0	113.1	K12 T13 L14 S20	K12-K16 WeakPolarHBondContact O-CG 3.47Å; K12-K16 PolarHBondContact O-N 3.16Å; T13-K16 PolarHBondContact O-N 2.86Å; L14-K16 PolarHBondContact O-N 2.9Å; K16-S20 PolarHBondContact O-N 2.91Å; K16-S20 PolarHBondContact O-OG 2.78Å
17	C	92.7	Very high	93.9	Very high	7 Å²	7	53.4 Å²	53.4	5%	0.047	25%	0.251	C	S	.	.	H	α-helix	trans	-71	-41.9	176.8	-65	0	0	0	0	110.7	T13 L14 R15 S20 E21 K22 L24	T13-C17 PolarHBondContact O-N 3.31Å; T13-C17 PolarHBondContact O-SG 3.26Å; L14-C17 PolarHBondContact O-N 2.88Å; L14-C17 VanDerWaalsContact O-N 3.08Å; R15-C17 VanDerWaalsContact C-N 3.27Å; R15-C17 PolarHBondContact O-N 3.39Å; C17-S20 CarbonylContact O-C 3.53Å; C17-S20 PolarHBondContact O-N 3.41Å; C17-S20 PolarHBondContact O-OG 2.71Å; C17-E21 PolarHBondContact O-N 3.27Å; C17-K22 CarbonylContact C-O 3.45Å; C17-K22 HydrophobicContact CB-CB 4.45Å; C17-K22 WeakPolarHBondContact CB-O 3.33Å; C17-K22 PolarHBondContact O-N 2.91Å; C17-L24 HydrophobicContact CB-CB 4.25Å
18	S	89.9	Confident	94.2	Very high	32 Å²	32	52.5 Å²	52.5	22%	0.224	25%	0.246	C	C	.	.	H	α-helix	trans	-60	-49.3	173.9	179.8	0	0	0	0	112	L14 R15 S20 E21 D85	L14-S18 PolarHBondContact O-N 2.88Å; R15-S18 PolarHBondContact O-N 3.25Å; S18-S20 PolarHBondContact O-N 3.13Å; S18-S20 VanDerWaalsContact O-N 3.1Å; S18-E21 PolarHBondContact O-N 3.34Å; S18-D85 PolarHBondContact OG-OD1 2.89Å
19	E	92.4	Very high	94.3	Very high	147 Å²	147	47 Å²	47	69%	0.687	22%	0.221	S	C	*	.	H	α-helix	trans	-59.3	-24.5	177.6	-72.4	168.7	-179.4	0	0	114	R15	R15-E19 HydrophobicContact CG-CG 4.37Å; R15-E19 VanDerWaalsContact CG-OE1 3.31Å; R15-E19 WeakPolarHBondContact CG-OE1 3.39Å; R15-E19 WeakPolarHBondContact O-CB 3.45Å; R15-E19 WeakPolarHBondContact O-CG 3.39Å; R15-E19 PolarHBondContact O-N 2.87Å
20	S	88.7	Confident	94.3	Very high	61 Å²	61	44.7 Å²	44.7	43%	0.427	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	10.7	178.1	57.3	0	0	0	0	113.6	K16 C17 S18 K22	K16-S20 PolarHBondContact O-N 2.91Å; K16-S20 PolarHBondContact O-OG 2.78Å; C17-S20 CarbonylContact O-C 3.53Å; C17-S20 PolarHBondContact O-N 3.41Å; C17-S20 PolarHBondContact O-OG 2.71Å; S18-S20 PolarHBondContact O-N 3.13Å; S18-S20 VanDerWaalsContact O-N 3.1Å; S20-K22 WeakPolarHBondContact O-CG 3.38Å; S20-K22 PolarHBondContact O-N 2.83Å; S20-K22 VanDerWaalsContact O-N 3.13Å
21	E	84.9	Confident	94.2	Very high	151 Å²	151	48.9 Å²	48.9	71%	0.706	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.4	28.7	-177.3	-60.2	-177	173.4	0	0	113.9	C17 S18	C17-E21 PolarHBondContact O-N 3.27Å; S18-E21 PolarHBondContact O-N 3.34Å
22	K	89.2	Confident	94	Very high	80 Å²	80	53.5 Å²	53.5	35%	0.348	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-96.4	147.3	178.2	-62.4	-169.3	-178.8	-170.2	0	111.7	C17 S20 N54 V56	C17-K22 CarbonylContact C-O 3.45Å; C17-K22 HydrophobicContact CB-CB 4.45Å; C17-K22 WeakPolarHBondContact CB-O 3.33Å; C17-K22 PolarHBondContact O-N 2.91Å; S20-K22 WeakPolarHBondContact O-CG 3.38Å; S20-K22 PolarHBondContact O-N 2.83Å; S20-K22 VanDerWaalsContact O-N 3.13Å; K22-N54 CarbonylContact C-O 3.55Å; K22-N54 WeakPolarHBondContact CA-O 3.08Å; K22-V56 HydrophobicContact CB-CG2 3.98Å; K22-V56 HydrophobicContact CD-CG2 3.64Å; K22-V56 HydrophobicContact CG-CG2 4.44Å
23	I	92.1	Very high	94	Very high	13 Å²	13	49.5 Å²	49.5	7%	0.067	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	122.7	173.3	-60.3	177.8	0	0	0	108.7	N54 F55 V56 L82 Y83 H84 I89 F107	I23-N54 PolarHBondContact N-O 3.23Å; I23-F55 HydrophobicContact CB-CD1 3.74Å; I23-F55 HydrophobicContact CB-CE1 3.82Å; I23-F55 HydrophobicContact CD1-CE1 3.89Å; I23-F55 HydrophobicContact CD1-CZ 4.24Å; I23-F55 HydrophobicContact CG1-CE1 4.41Å; I23-F55 HydrophobicContact CG2-CD1 3.89Å; I23-F55 HydrophobicContact CG2-CE1 3.84Å; I23-F55 CarbonylContact O-C 3.55Å; I23-F55 VanDerWaalsContact O-CA 3.31Å; I23-F55 WeakPolarHBondContact O-CA 3.34Å; I23-V56 PolarHBondContact O-N 2.78Å; I23-L82 HydrophobicContact CG2-CB 4.25Å; I23-L82 HydrophobicContact CG2-CD2 4.26Å; I23-Y83 CarbonylContact C-O 3.59Å; I23-Y83 VanDerWaalsContact CA-O 3.29Å; I23-Y83 WeakPolarHBondContact CA-O 3.38Å; I23-Y83 WeakPolarHBondContact CG2-O 3.41Å; I23-H84 HydrophobicContact CG1-CB 4.22Å; I23-I89 HydrophobicContact CG2-CD1 4.24Å; I23-F107 HydrophobicContact CD1-CB 3.66Å; I23-F107 HydrophobicContact CD1-CD1 4.19Å; I23-F107 HydrophobicContact CD1-CG 4.09Å
24	L	95.8	Very high	93.8	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	126	175.6	179.6	64.9	0	0	0	109.8	T13 L14 C17 I26 V56 V58 L82 Y83	T13-L24 HydrophobicContact CG2-CD1 3.57Å; T13-L24 HydrophobicContact CG2-CD2 3.78Å; T13-L24 HydrophobicContact CG2-CG 4.32Å; L14-L24 HydrophobicContact CD2-CD2 3.6Å; L14-L24 HydrophobicContact CG-CD2 4.05Å; C17-L24 HydrophobicContact CB-CB 4.25Å; L24-I26 HydrophobicContact CD1-CG1 4.44Å; L24-I26 HydrophobicContact CD2-CD1 3.69Å; L24-I26 HydrophobicContact CD2-CG1 4.05Å; L24-I26 HydrophobicContact CG-CD1 4.04Å; L24-I26 HydrophobicContact CG-CG1 3.81Å; L24-V56 CarbonylContact C-O 3.5Å; L24-V56 WeakPolarHBondContact CA-O 3.34Å; L24-V56 HydrophobicContact CD1-CB 4.23Å; L24-V56 HydrophobicContact CD1-CG1 4.03Å; L24-V58 HydrophobicContact CD1-CG1 4Å; L24-V58 HydrophobicContact CD1-CG2 3.74Å; L24-V58 HydrophobicContact CG-CG2 4.44Å; L24-L82 CarbonylContact O-C 3.58Å; L24-L82 VanDerWaalsContact O-CA 3.27Å; L24-L82 WeakPolarHBondContact O-CA 3.3Å; L24-Y83 HydrophobicContact CD2-CD2 4.48Å; L24-Y83 PolarHBondContact N-O 3.2Å; L24-Y83 PolarHBondContact O-N 3.06Å
25	V	96.9	Very high	93.7	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	122.5	177.4	-168.1	0	0	0	0	108.4	F43 F55 V56 F57 V58 L82 L100 L104	V25-F43 HydrophobicContact CG1-CE2 3.84Å; V25-F43 HydrophobicContact CG1-CZ 3.99Å; V25-F55 HydrophobicContact CG2-CB 4.31Å; V25-F55 HydrophobicContact CG2-CD1 3.66Å; V25-F55 HydrophobicContact CG2-CG 4.4Å; V25-V56 PolarHBondContact N-O 3.2Å; V25-F57 HydrophobicContact CB-CD1 3.93Å; V25-F57 HydrophobicContact CB-CE1 4.01Å; V25-F57 HydrophobicContact CB-CG 4.23Å; V25-F57 HydrophobicContact CB-CZ 4.4Å; V25-F57 HydrophobicContact CG1-CD1 4.02Å; V25-F57 HydrophobicContact CG1-CE1 3.85Å; V25-F57 HydrophobicContact CG2-CE1 4.23Å; V25-F57 HydrophobicContact CG2-CE2 4.31Å; V25-F57 HydrophobicContact CG2-CZ 4.13Å; V25-F57 WeakPolarHBondContact O-CA 3.38Å; V25-V58 PolarHBondContact O-N 2.83Å; V25-L82 HydrophobicContact CG1-CD1 4.39Å; V25-L82 HydrophobicContact CG1-CG 4.32Å; V25-L82 HydrophobicContact CG2-CG 4.29Å; V25-L100 HydrophobicContact CG1-CD1 4.21Å; V25-L104 HydrophobicContact CG1-CD2 4.3Å; V25-L104 HydrophobicContact CG2-CD2 3.64Å
26	I	97.6	Very high	93.7	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	129.6	-173.6	-48.7	-168	0	0	0	110.3	F10 L24 F28 V58 V60 F80 K81 Y83	F10-I26 HydrophobicContact CD2-CD1 3.76Å; F10-I26 HydrophobicContact CE2-CD1 3.39Å; L24-I26 HydrophobicContact CD1-CG1 4.44Å; L24-I26 HydrophobicContact CD2-CD1 3.69Å; L24-I26 HydrophobicContact CD2-CG1 4.05Å; L24-I26 HydrophobicContact CG-CD1 4.04Å; L24-I26 HydrophobicContact CG-CG1 3.81Å; I26-F28 HydrophobicContact CB-CD2 4.33Å; I26-F28 HydrophobicContact CB-CE2 3.88Å; I26-F28 HydrophobicContact CB-CZ 4.49Å; I26-F28 HydrophobicContact CD1-CZ 4.45Å; I26-F28 HydrophobicContact CG2-CD2 3.81Å; I26-F28 HydrophobicContact CG2-CE1 4.38Å; I26-F28 HydrophobicContact CG2-CE2 3.52Å; I26-F28 HydrophobicContact CG2-CG 4.35Å; I26-F28 HydrophobicContact CG2-CZ 3.84Å; I26-V58 WeakPolarHBondContact CA-O 3.26Å; I26-V58 HydrophobicContact CB-CG2 4.2Å; I26-V58 HydrophobicContact CD1-CG2 4.16Å; I26-V58 HydrophobicContact CG1-CG2 3.67Å; I26-V58 HydrophobicContact CG2-CG2 4.14Å; I26-V60 HydrophobicContact CG2-CB 4.23Å; I26-V60 HydrophobicContact CG2-CG2 3.66Å; I26-F80 CarbonylContact O-C 3.58Å; I26-F80 WeakPolarHBondContact O-CA 3.35Å; I26-K81 PolarHBondContact N-O 2.84Å; I26-K81 PolarHBondContact O-N 2.82Å; I26-Y83 HydrophobicContact CD1-CD2 4.02Å; I26-Y83 HydrophobicContact CD1-CE2 3.58Å; I26-Y83 HydrophobicContact CG1-CD2 4.27Å; I26-Y83 HydrophobicContact CG1-CE2 4.05Å
27	D	97.8	Very high	93.6	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	105.6	165.1	172.9	30.4	0	0	0	110	F43 V58 K59 V60 F80	D27-F43 HydrophobicContact CB-CD1 3.74Å; D27-F43 HydrophobicContact CB-CE1 3.38Å; D27-F43 HydrophobicContact CB-CE2 4.27Å; D27-F43 HydrophobicContact CB-CG 4.32Å; D27-F43 HydrophobicContact CB-CZ 3.68Å; D27-V58 PolarHBondContact N-O 2.85Å; D27-K59 HydrophobicContact CB-CG 4.33Å; D27-K59 CarbonylContact O-C 3.57Å; D27-K59 WeakPolarHBondContact O-CA 3.27Å; D27-K59 VanDerWaalsContact OD2-CE 3.28Å; D27-K59 WeakPolarHBondContact OD2-CE 3.2Å; D27-V60 PolarHBondContact O-N 3.28Å; D27-F80 HydrophobicContact CB-CD1 3.97Å; D27-F80 HydrophobicContact CB-CE1 3.76Å; D27-F80 WeakPolarHBondContact OD1-CE1 3.34Å
28	F	98	Very high	93.6	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	115.3	169.1	-67.3	-90.5	0	0	0	109.1	I26 V60 T62 L68 E72 I74 L77 P78 T79 K81	I26-F28 HydrophobicContact CB-CD2 4.33Å; I26-F28 HydrophobicContact CB-CE2 3.88Å; I26-F28 HydrophobicContact CB-CZ 4.49Å; I26-F28 HydrophobicContact CD1-CZ 4.45Å; I26-F28 HydrophobicContact CG2-CD2 3.81Å; I26-F28 HydrophobicContact CG2-CE1 4.38Å; I26-F28 HydrophobicContact CG2-CE2 3.52Å; I26-F28 HydrophobicContact CG2-CG 4.35Å; I26-F28 HydrophobicContact CG2-CZ 3.84Å; F28-V60 WeakPolarHBondContact CA-O 3.42Å; F28-V60 HydrophobicContact CD1-CB 3.67Å; F28-V60 HydrophobicContact CD1-CG1 3.69Å; F28-V60 HydrophobicContact CD1-CG2 4.34Å; F28-V60 HydrophobicContact CE1-CB 3.85Å; F28-V60 HydrophobicContact CE1-CG1 3.78Å; F28-V60 HydrophobicContact CE1-CG2 4.04Å; F28-V60 HydrophobicContact CG-CB 4.4Å; F28-T62 HydrophobicContact CB-CG2 3.82Å; F28-T62 HydrophobicContact CD1-CG2 4.1Å; F28-T62 HydrophobicContact CG-CG2 4.47Å; F28-L68 HydrophobicContact CE1-CG 4.42Å; F28-E72 HydrophobicContact CE1-CB 4.38Å; F28-E72 HydrophobicContact CE1-CG 4.39Å; F28-E72 HydrophobicContact CZ-CB 4.14Å; F28-E72 HydrophobicContact CZ-CG 4Å; F28-I74 HydrophobicContact CB-CD1 4.18Å; F28-I74 HydrophobicContact CB-CG1 4.28Å; F28-I74 HydrophobicContact CB-CG2 4.2Å; F28-I74 HydrophobicContact CD1-CD1 3.95Å; F28-I74 HydrophobicContact CD1-CG1 3.74Å; F28-I74 HydrophobicContact CD2-CD1 3.62Å; F28-I74 HydrophobicContact CD2-CG1 4.33Å; F28-I74 HydrophobicContact CE1-CD1 4.21Å; F28-I74 HydrophobicContact CE1-CG1 4.1Å; F28-I74 HydrophobicContact CE2-CD1 3.91Å; F28-I74 HydrophobicContact CG-CD1 3.65Å; F28-I74 HydrophobicContact CG-CG1 3.86Å; F28-I74 HydrophobicContact CZ-CD1 4.2Å; F28-L77 HydrophobicContact CB-CD2 4.45Å; F28-L77 WeakPolarHBondContact O-CD2 3.31Å; F28-P78 WeakPolarHBondContact O-CA 3.49Å; F28-T79 WeakPolarHBondContact CB-O 3.45Å; F28-T79 WeakPolarHBondContact CD2-O 3.47Å; F28-T79 PolarHBondContact N-O 3.23Å; F28-T79 PolarHBondContact O-N 2.75Å; F28-K81 HydrophobicContact CD2-CG 4.38Å; F28-K81 HydrophobicContact CE2-CB 4.07Å; F28-K81 HydrophobicContact CE2-CD 3.9Å; F28-K81 HydrophobicContact CE2-CG 3.98Å
29	Y	97.6	Very high	93.8	Very high	21 Å²	21	51.6 Å²	51.6	8%	0.082	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	169.7	-169.2	80.7	-76.8	0	0	0	112.9	D31 K59 V60 N61 T62	Y29-D31 VanDerWaalsContact CE2-OD1 3.32Å; Y29-D31 WeakPolarHBondContact CE2-OD1 3.48Å; Y29-K59 HydrophobicContact CD1-CB 3.89Å; Y29-K59 HydrophobicContact CE1-CB 3.56Å; Y29-K59 HydrophobicContact CE1-CD 4.27Å; Y29-V60 WeakPolarHBondContact CD1-O 3.27Å; Y29-V60 PolarHBondContact N-O 2.82Å; Y29-N61 HydrophobicContact CE1-CB 3.98Å; Y29-N61 CarbonylContact O-C 3.51Å; Y29-N61 WeakPolarHBondContact O-CA 3.33Å; Y29-T62 PolarHBondContact O-N 3.26Å; Y29-T62 PolarHBondContact O-OG1 3.39Å
30	A	95.6	Very high	93.9	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.008	23%	0.234	C	C	.	.			trans	-136.3	145.7	167.5	0	0	0	0	0	109.2	W32 C33 E63 L77	A30-W32 VanDerWaalsContact C-N 3.27Å; A30-W32 PolarHBondContact O-N 3.15Å; A30-C33 HydrophobicContact CB-CB 4.25Å; A30-C33 WeakPolarHBondContact O-CB 3.39Å; A30-C33 PolarHBondContact O-N 3.22Å; A30-C33 VanDerWaalsContact O-N 3.16Å; A30-E63 HydrophobicContact CB-CG 4.37Å; A30-L77 HydrophobicContact CB-CD1 3.61Å
31	D	94.1	Very high	94.1	Very high	90 Å²	90	47.2 Å²	47.2	48%	0.481	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-29.3	-172.1	-66.3	-44	0	0	0	112.8	Y29 N61 R64	Y29-D31 VanDerWaalsContact CE2-OD1 3.32Å; Y29-D31 WeakPolarHBondContact CE2-OD1 3.48Å; D31-N61 PolarHBondContact OD2-ND2 2.85Å; D31-R64 IonicContact OD2-NH2 3.97Å
32	W	92.2	Very high	94.6	Very high	179 Å²	179	44.8 Å²	44.8	68%	0.678	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-8.4	179	60.5	-98.7	0	0	0	113.9	A30 G34 E63	A30-W32 VanDerWaalsContact C-N 3.27Å; A30-W32 PolarHBondContact O-N 3.15Å; W32-G34 PolarHBondContact O-N 3.06Å; W32-E63 PolarHBondContact NE1-OE1 3.02Å; W32-E63 PolarHBondContact NE1-OE2 2.95Å
33	C	95	Very high	94.9	Very high	11 Å²	11	41 Å²	41	7%	0.074	21%	0.213	C	C	.	.			trans	-80.7	105	-173.4	-176.1	0	0	0	0	110.8	A30 C36 C37	A30-C33 HydrophobicContact CB-CB 4.25Å; A30-C33 WeakPolarHBondContact O-CB 3.39Å; A30-C33 PolarHBondContact O-N 3.22Å; A30-C33 VanDerWaalsContact O-N 3.16Å; C33-C36 HydrophobicContact CB-CB 3.86Å; C33-C36 VanDerWaalsContact CB-SG 3.55Å; C33-C36 WeakPolarHBondContact O-CA 3.34Å; C33-C36 VanDerWaalsContact O-CB 3.28Å; C33-C36 WeakPolarHBondContact O-CB 3.4Å; C33-C36 PolarHBondContact O-N 3.43Å; C33-C36 PolarHBondContact SG-SG 3.44Å; C33-C37 PolarHBondContact O-N 2.92Å; C33-C37 PolarHBondContact O-SG 2.98Å; C33-C37 VanDerWaalsContact O-SG 3.39Å
34	G	93.2	Very high	95	Very high	35 Å²	35	43.8 Å²	43.8	36%	0.361	23%	0.226	S	C	.	.	H	α-helix	trans	-49.7	-46	179.1	0	0	0	0	0	114.9	W32 C36 C37 R38	W32-G34 PolarHBondContact O-N 3.06Å; G34-C36 PolarHBondContact O-N 3.03Å; G34-C37 PolarHBondContact O-N 2.85Å; G34-R38 WeakPolarHBondContact O-CG 3.16Å; G34-R38 PolarHBondContact O-N 2.85Å
35	P	92.8	Very high	94.9	Very high	42 Å²	42	46 Å²	46	27%	0.273	25%	0.245	S	C	.	.	H	α-helix	trans	-55.7	-40.7	170.7	-27.8	34.3	0	0	0	115	R38 I39 S95	P35-R38 PolarHBondContact O-N 3.15Å; P35-I39 WeakPolarHBondContact O-CG2 3.48Å; P35-I39 PolarHBondContact O-N 2.7Å; P35-S95 WeakPolarHBondContact CB-OG 3.12Å; P35-S95 PolarHBondContact O-OG 3.48Å
36	C	96.3	Very high	94.6	Very high	4 Å²	4	46 Å²	46	3%	0.027	25%	0.245	C	C	.	.	H	α-helix	trans	-64.6	-45.1	175.1	-63.9	0	0	0	0	111.5	C33 G34 R38 I39 A40 P78	C33-C36 HydrophobicContact CB-CB 3.86Å; C33-C36 VanDerWaalsContact CB-SG 3.55Å; C33-C36 WeakPolarHBondContact O-CA 3.34Å; C33-C36 VanDerWaalsContact O-CB 3.28Å; C33-C36 WeakPolarHBondContact O-CB 3.4Å; C33-C36 PolarHBondContact O-N 3.43Å; C33-C36 PolarHBondContact SG-SG 3.44Å; G34-C36 PolarHBondContact O-N 3.03Å; C36-R38 VanDerWaalsContact C-N 3.29Å; C36-R38 PolarHBondContact O-N 3.38Å; C36-I39 WeakPolarHBondContact O-CG2 3.27Å; C36-I39 PolarHBondContact O-N 3.45Å; C36-A40 WeakPolarHBondContact O-CB 3.03Å; C36-A40 PolarHBondContact O-N 3.28Å; C36-P78 VanDerWaalsContact SG-CA 3.6Å
37	C	92.4	Very high	94.5	Very high	74 Å²	74	46.6 Å²	46.6	50%	0.5	25%	0.249	S	C	.	.	H	α-helix	trans	-60.4	-39.3	177.6	-57.8	0	0	0	0	111.9	C33 G34 P41	C33-C37 PolarHBondContact O-N 2.92Å; C33-C37 PolarHBondContact O-SG 2.98Å; C33-C37 VanDerWaalsContact O-SG 3.39Å; G34-C37 PolarHBondContact O-N 2.85Å; C37-P41 WeakPolarHBondContact O-CD 3.39Å
38	R	92.6	Very high	94	Very high	172 Å²	172	51.5 Å²	51.5	65%	0.649	27%	0.274	S	S	*	.	H	α-helix	trans	-67.6	-38.5	179.2	-74.8	-169.8	-62.6	-110.1	3.4	113.4	G34 P35 C36	G34-R38 WeakPolarHBondContact O-CG 3.16Å; G34-R38 PolarHBondContact O-N 2.85Å; P35-R38 PolarHBondContact O-N 3.15Å; C36-R38 VanDerWaalsContact C-N 3.29Å; C36-R38 PolarHBondContact O-N 3.38Å
39	I	94.9	Very high	93.3	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-85.3	-23.8	-176.8	-166.1	156.3	0	0	0	113.2	P35 C36 P41 Q42 F43 P78 F80 S95 V97	P35-I39 WeakPolarHBondContact O-CG2 3.48Å; P35-I39 PolarHBondContact O-N 2.7Å; C36-I39 WeakPolarHBondContact O-CG2 3.27Å; C36-I39 PolarHBondContact O-N 3.45Å; I39-P41 VanDerWaalsContact C-CD 3.49Å; I39-Q42 CarbonylContact O-C 3.56Å; I39-Q42 WeakPolarHBondContact O-CA 3.15Å; I39-Q42 WeakPolarHBondContact O-CB 3.38Å; I39-Q42 PolarHBondContact O-N 2.98Å; I39-F43 PolarHBondContact O-N 3.41Å; I39-P78 HydrophobicContact CG2-CB 4.28Å; I39-P78 HydrophobicContact CG2-CG 3.93Å; I39-F80 HydrophobicContact CD1-CE2 3.6Å; I39-F80 HydrophobicContact CD1-CZ 3.41Å; I39-F80 VanDerWaalsContact CD1-CZ 3.41Å; I39-F80 HydrophobicContact CG1-CZ 3.93Å; I39-F80 HydrophobicContact CG2-CZ 3.96Å; I39-S95 VanDerWaalsContact CD1-CA 3.5Å; I39-V97 HydrophobicContact CD1-CG2 3.27Å; I39-V97 HydrophobicContact CG1-CG2 3.36Å
40	A	93.3	Very high	92.8	Very high	27 Å²	27	55.1 Å²	55.1	22%	0.223	29%	0.292	C	S	.	.	H	α-helix	trans	-51.3	-44	-175.4	0	0	0	0	0	114.3	C36 Q42 F43 E44	C36-A40 WeakPolarHBondContact O-CB 3.03Å; C36-A40 PolarHBondContact O-N 3.28Å; A40-Q42 VanDerWaalsContact C-N 3.3Å; A40-Q42 PolarHBondContact O-N 2.87Å; A40-F43 PolarHBondContact O-N 3.02Å; A40-E44 PolarHBondContact O-N 2.95Å
41	P	94.6	Very high	91.9	Very high	88 Å²	88	61.1 Å²	61.1	57%	0.571	32%	0.32	S	S	*	.	H	α-helix	trans	-63.7	-34.3	175.5	-21.2	33.3	0	0	0	113.2	C37 I39 A45	C37-P41 WeakPolarHBondContact O-CD 3.39Å; I39-P41 VanDerWaalsContact C-CD 3.49Å; P41-A45 WeakPolarHBondContact O-CB 3.35Å; P41-A45 PolarHBondContact O-N 3.5Å
42	Q	94.5	Very high	90.8	Very high	101 Å²	101	65.2 Å²	65.2	47%	0.472	34%	0.336	S	S	.	.	H	α-helix	trans	-75.1	-35.1	179.5	-60.6	174.2	-23.9	0	0	111.4	I39 A40 A45 L46 V97	I39-Q42 CarbonylContact O-C 3.56Å; I39-Q42 WeakPolarHBondContact O-CA 3.15Å; I39-Q42 WeakPolarHBondContact O-CB 3.38Å; I39-Q42 PolarHBondContact O-N 2.98Å; A40-Q42 VanDerWaalsContact C-N 3.3Å; A40-Q42 PolarHBondContact O-N 2.87Å; Q42-A45 PolarHBondContact O-N 3.04Å; Q42-L46 WeakPolarHBondContact O-CG 3.15Å; Q42-L46 PolarHBondContact O-N 3.09Å; Q42-V97 HydrophobicContact CB-CG1 4.24Å; Q42-V97 HydrophobicContact CB-CG2 3.74Å; Q42-V97 HydrophobicContact CG-CG2 4.43Å
43	F	96	Very high	90	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-68.3	-40.6	173.5	-170.3	-110.3	0	0	0	111.8	M1 V25 D27 I39 A40 A45 L46 S47 F57 F80 L100	M1-F43 HydrophobicContact CE-CD1 3.55Å; M1-F43 HydrophobicContact CE-CE1 3.93Å; M1-F43 HydrophobicContact SD-CD1 3.57Å; M1-F43 VanDerWaalsContact SD-CD1 3.57Å; M1-F43 HydrophobicContact SD-CE1 3.29Å; M1-F43 WeakPolarHBondContact SD-CE1 3.4Å; M1-F43 HydrophobicContact SD-CZ 4.43Å; V25-F43 HydrophobicContact CG1-CE2 3.84Å; V25-F43 HydrophobicContact CG1-CZ 3.99Å; D27-F43 HydrophobicContact CB-CD1 3.74Å; D27-F43 HydrophobicContact CB-CE1 3.38Å; D27-F43 HydrophobicContact CB-CE2 4.27Å; D27-F43 HydrophobicContact CB-CG 4.32Å; D27-F43 HydrophobicContact CB-CZ 3.68Å; I39-F43 PolarHBondContact O-N 3.41Å; A40-F43 PolarHBondContact O-N 3.02Å; F43-A45 VanDerWaalsContact C-N 3.35Å; F43-L46 PolarHBondContact O-N 3.31Å; F43-S47 PolarHBondContact O-N 3.15Å; F43-F57 HydrophobicContact CD2-CD1 4.36Å; F43-F57 HydrophobicContact CD2-CE1 4.46Å; F43-F57 HydrophobicContact CE1-CD1 4.01Å; F43-F57 AromaticContact CE2-CD1 3.72Å; F43-F57 HydrophobicContact CE2-CD1 3.72Å; F43-F57 AromaticContact CE2-CE1 3.95Å; F43-F57 HydrophobicContact CE2-CE1 3.95Å; F43-F57 AromaticContact CZ-CD1 3.53Å; F43-F57 HydrophobicContact CZ-CD1 3.53Å; F43-F57 HydrophobicContact CZ-CE1 4.22Å; F43-F80 HydrophobicContact CB-CE1 4.5Å; F43-F80 AromaticContact CD2-CD1 3.79Å; F43-F80 HydrophobicContact CD2-CD1 3.79Å; F43-F80 AromaticContact CD2-CE1 3.49Å; F43-F80 HydrophobicContact CD2-CE1 3.49Å; F43-F80 VanDerWaalsContact CD2-CE1 3.49Å; F43-F80 AromaticContact CE2-CD1 3.56Å; F43-F80 HydrophobicContact CE2-CD1 3.56Å; F43-F80 AromaticContact CE2-CE1 3.75Å; F43-F80 HydrophobicContact CE2-CE1 3.75Å; F43-F80 HydrophobicContact CG-CE1 4.01Å; F43-F80 HydrophobicContact CZ-CD1 4.24Å; F43-F80 HydrophobicContact CZ-CE1 4.46Å; F43-L100 HydrophobicContact CD2-CD2 3.52Å; F43-L100 HydrophobicContact CE2-CD2 3.73Å
44	E	94.9	Very high	89.4	Confident	71 Å²	71	63.8 Å²	63.8	33%	0.332	34%	0.336	S	S	.	.	H	α-helix	trans	-62.9	-42.7	171.9	-168.9	74.1	-154.1	0	0	110.7	M1 A40 L46 S47 I48	M1-E44 WeakPolarHBondContact CB-OE2 3.46Å; M1-E44 WeakPolarHBondContact CE-OE2 3.1Å; M1-E44 PolarHBondContact N-OE1 3.23Å; A40-E44 PolarHBondContact O-N 2.95Å; E44-L46 VanDerWaalsContact C-N 3.33Å; E44-L46 PolarHBondContact O-N 2.57Å; E44-S47 WeakPolarHBondContact O-CB 3.11Å; E44-S47 PolarHBondContact O-N 2.87Å; E44-S47 PolarHBondContact O-OG 3.48Å; E44-I48 HydrophobicContact CG-CD1 4.42Å; E44-I48 WeakPolarHBondContact O-CG1 2.89Å; E44-I48 PolarHBondContact O-N 3.24Å
45	A	92.2	Very high	89.4	Confident	48 Å²	48	62.5 Å²	62.5	40%	0.397	32%	0.321	S	S	.	.	H	α-helix	trans	-59.3	-42.3	175.2	0	0	0	0	0	112.3	P41 Q42 F43 S47 I48 E49	P41-A45 WeakPolarHBondContact O-CB 3.35Å; P41-A45 PolarHBondContact O-N 3.5Å; Q42-A45 PolarHBondContact O-N 3.04Å; F43-A45 VanDerWaalsContact C-N 3.35Å; A45-S47 VanDerWaalsContact C-N 3.33Å; A45-I48 PolarHBondContact O-N 3.49Å; A45-E49 VanDerWaalsContact O-CB 3.31Å; A45-E49 WeakPolarHBondContact O-CB 3.21Å; A45-E49 PolarHBondContact O-N 2.71Å
46	L	92.1	Very high	89.4	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-62.3	-40	172.2	-74.8	173.2	0	0	0	111.8	Q42 F43 E44 I48 E49 F50 F57 V97 L100 R101 L104	Q42-L46 WeakPolarHBondContact O-CG 3.15Å; Q42-L46 PolarHBondContact O-N 3.09Å; F43-L46 PolarHBondContact O-N 3.31Å; E44-L46 VanDerWaalsContact C-N 3.33Å; E44-L46 PolarHBondContact O-N 2.57Å; L46-I48 PolarHBondContact O-N 3.12Å; L46-E49 PolarHBondContact O-N 3.38Å; L46-F50 HydrophobicContact CD2-CD2 4.16Å; L46-F50 HydrophobicContact CD2-CE2 3.71Å; L46-F50 WeakPolarHBondContact O-CB 3.18Å; L46-F50 VanDerWaalsContact O-CD2 3.3Å; L46-F50 WeakPolarHBondContact O-CD2 3.25Å; L46-F50 PolarHBondContact O-N 3.17Å; L46-F57 HydrophobicContact CB-CE1 4.18Å; L46-F57 HydrophobicContact CB-CZ 4.46Å; L46-V97 HydrophobicContact CD1-CG1 4.05Å; L46-L100 HydrophobicContact CD1-CB 4.47Å; L46-L100 HydrophobicContact CD1-CD2 3.59Å; L46-L100 HydrophobicContact CD1-CG 3.92Å; L46-R101 HydrophobicContact CD2-CB 4Å; L46-R101 HydrophobicContact CD2-CG 4.17Å; L46-L104 HydrophobicContact CB-CD1 4.36Å; L46-L104 HydrophobicContact CD1-CD1 4.13Å; L46-L104 HydrophobicContact CD2-CD1 4.25Å
47	S	93.6	Very high	89.4	Confident	13 Å²	13	62.8 Å²	62.8	9%	0.091	32%	0.32	C	S	.	.	H	α-helix	trans	-61.9	-34.4	178.3	80.7	0	0	0	0	112.8	F43 E44 A45 Q51 F57	F43-S47 PolarHBondContact O-N 3.15Å; E44-S47 WeakPolarHBondContact O-CB 3.11Å; E44-S47 PolarHBondContact O-N 2.87Å; E44-S47 PolarHBondContact O-OG 3.48Å; A45-S47 VanDerWaalsContact C-N 3.33Å; S47-Q51 WeakPolarHBondContact O-CA 3.44Å; S47-Q51 WeakPolarHBondContact O-CB 3.3Å; S47-Q51 PolarHBondContact O-N 3.32Å; S47-Q51 VanDerWaalsContact O-N 3.17Å; S47-F57 VanDerWaalsContact CB-CG 3.43Å
48	I	89.2	Confident	89.7	Confident	104 Å²	104	59.3 Å²	59.3	53%	0.533	30%	0.297	S	S	.	.	H	α-helix	trans	-75.5	-47.5	175.3	-63.3	166.3	0	0	0	110.1	E44 A45 L46 F50 Q51	E44-I48 HydrophobicContact CG-CD1 4.42Å; E44-I48 WeakPolarHBondContact O-CG1 2.89Å; E44-I48 PolarHBondContact O-N 3.24Å; A45-I48 PolarHBondContact O-N 3.49Å; L46-I48 PolarHBondContact O-N 3.12Å; I48-F50 PolarHBondContact O-N 3.12Å; I48-Q51 VanDerWaalsContact O-CB 3.32Å; I48-Q51 WeakPolarHBondContact O-CB 3.14Å; I48-Q51 PolarHBondContact O-N 3.09Å; I48-Q51 VanDerWaalsContact O-N 3.15Å
49	E	82.8	Confident	89.9	Confident	96 Å²	96	52.9 Å²	52.9	45%	0.449	27%	0.273	S	S	.	.	H	α-helix	trans	-55.5	-39.8	178.9	-175.5	-174.3	159.2	0	0	111.6	A45 L46 R101	A45-E49 VanDerWaalsContact O-CB 3.31Å; A45-E49 WeakPolarHBondContact O-CB 3.21Å; A45-E49 PolarHBondContact O-N 2.71Å; L46-E49 PolarHBondContact O-N 3.38Å; E49-R101 IonicContact OE1-NE 2.98Å; E49-R101 IonicContact OE2-CZ 2.96Å; E49-R101 IonicContact OE2-NE 3.76Å; E49-R101 PolarHBondContact OE2-NE 3.06Å; E49-R101 IonicContact OE2-NH2 2.67Å; E49-R101 PolarHBondContact OE2-NH2 3.37Å; E49-R101 VanDerWaalsContact OE2-NH2 3.15Å
50	F	85.8	Confident	90.1	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	8.7	-178.4	-70.2	-100.7	0	0	0	113.6	L46 I48 Q52 R53 F55 F57 L104 N105 S108	L46-F50 HydrophobicContact CD2-CD2 4.16Å; L46-F50 HydrophobicContact CD2-CE2 3.71Å; L46-F50 WeakPolarHBondContact O-CB 3.18Å; L46-F50 VanDerWaalsContact O-CD2 3.3Å; L46-F50 WeakPolarHBondContact O-CD2 3.25Å; L46-F50 PolarHBondContact O-N 3.17Å; I48-F50 PolarHBondContact O-N 3.12Å; F50-Q52 VanDerWaalsContact C-N 3.31Å; F50-Q52 PolarHBondContact O-N 3.1Å; F50-R53 VanDerWaalsContact CE1-NH1 3.32Å; F50-R53 WeakPolarHBondContact O-CB 3.39Å; F50-R53 PolarHBondContact O-N 2.93Å; F50-F55 HydrophobicContact CB-CB 4.49Å; F50-F55 HydrophobicContact CB-CD2 4.16Å; F50-F55 AromaticContact CD1-CD2 3.95Å; F50-F55 HydrophobicContact CD1-CD2 3.95Å; F50-F55 AromaticContact CD1-CE2 3.97Å; F50-F55 HydrophobicContact CD1-CE2 3.97Å; F50-F57 HydrophobicContact CB-CE2 3.84Å; F50-F57 HydrophobicContact CB-CZ 4.07Å; F50-L104 HydrophobicContact CD1-CB 3.99Å; F50-L104 HydrophobicContact CD2-CD1 4.19Å; F50-L104 HydrophobicContact CE1-CB 3.53Å; F50-L104 HydrophobicContact CE2-CB 4.21Å; F50-L104 HydrophobicContact CE2-CD1 4.15Å; F50-L104 HydrophobicContact CZ-CB 3.65Å; F50-L104 HydrophobicContact CZ-CD1 4.43Å; F50-N105 WeakPolarHBondContact CZ-OD1 3.5Å; F50-S108 WeakPolarHBondContact CE1-OG 3.46Å
51	Q	78.1	Confident	90.3	Very high	127 Å²	127	51.6 Å²	51.6	59%	0.593	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-36.3	-175.8	-173.4	178.8	-3.4	0	0	113.3	S47 I48 R53	S47-Q51 WeakPolarHBondContact O-CA 3.44Å; S47-Q51 WeakPolarHBondContact O-CB 3.3Å; S47-Q51 PolarHBondContact O-N 3.32Å; S47-Q51 VanDerWaalsContact O-N 3.17Å; I48-Q51 VanDerWaalsContact O-CB 3.32Å; I48-Q51 WeakPolarHBondContact O-CB 3.14Å; I48-Q51 PolarHBondContact O-N 3.09Å; I48-Q51 VanDerWaalsContact O-N 3.15Å; Q51-R53 PolarHBondContact O-N 2.94Å
52	Q	70.3	Confident	90.3	Very high	177 Å²	177	48.2 Å²	48.2	83%	0.827	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.2	4	178.7	-62.8	-65.5	-16.8	0	0	112.9	F50	F50-Q52 VanDerWaalsContact C-N 3.31Å; F50-Q52 PolarHBondContact O-N 3.1Å
53	R	75.8	Confident	90.2	Very high	59 Å²	59	48.2 Å²	48.2	22%	0.223	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.9	179.4	178.9	-63.1	-175.8	177.2	-179.5	7.2	110.4	F50 Q51 F55 N105 S108	F50-R53 VanDerWaalsContact CE1-NH1 3.32Å; F50-R53 WeakPolarHBondContact O-CB 3.39Å; F50-R53 PolarHBondContact O-N 2.93Å; Q51-R53 PolarHBondContact O-N 2.94Å; R53-F55 HydrophobicContact CB-CD2 3.86Å; R53-F55 HydrophobicContact CB-CE2 4.22Å; R53-F55 PolarHBondContact O-N 2.91Å; R53-N105 PolarHBondContact NH1-OD1 2.06Å; R53-N105 VanDerWaalsContact NH1-OD1 3.14Å; R53-S108 WeakPolarHBondContact CD-OG 3.3Å; R53-S108 PolarHBondContact NH1-OG 2.79Å
54	N	83.1	Confident	90.1	Very high	100 Å²	100	55.6 Å²	55.6	54%	0.535	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	38.7	-177.8	-71.8	-5.6	0	0	0	114.3	K22 I23	K22-N54 CarbonylContact C-O 3.55Å; K22-N54 WeakPolarHBondContact CA-O 3.08Å; I23-N54 PolarHBondContact N-O 3.23Å
55	F	91.5	Very high	90	Very high	9 Å²	9	52.6 Å²	52.6	4%	0.039	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	144	-179.1	-62	-86.1	0	0	0	112.6	I23 V25 F50 R53 F57 L104 F107 S108	I23-F55 HydrophobicContact CB-CD1 3.74Å; I23-F55 HydrophobicContact CB-CE1 3.82Å; I23-F55 HydrophobicContact CD1-CE1 3.89Å; I23-F55 HydrophobicContact CD1-CZ 4.24Å; I23-F55 HydrophobicContact CG1-CE1 4.41Å; I23-F55 HydrophobicContact CG2-CD1 3.89Å; I23-F55 HydrophobicContact CG2-CE1 3.84Å; I23-F55 CarbonylContact O-C 3.55Å; I23-F55 VanDerWaalsContact O-CA 3.31Å; I23-F55 WeakPolarHBondContact O-CA 3.34Å; V25-F55 HydrophobicContact CG2-CB 4.31Å; V25-F55 HydrophobicContact CG2-CD1 3.66Å; V25-F55 HydrophobicContact CG2-CG 4.4Å; F50-F55 HydrophobicContact CB-CB 4.49Å; F50-F55 HydrophobicContact CB-CD2 4.16Å; F50-F55 AromaticContact CD1-CD2 3.95Å; F50-F55 HydrophobicContact CD1-CD2 3.95Å; F50-F55 AromaticContact CD1-CE2 3.97Å; F50-F55 HydrophobicContact CD1-CE2 3.97Å; R53-F55 HydrophobicContact CB-CD2 3.86Å; R53-F55 HydrophobicContact CB-CE2 4.22Å; R53-F55 PolarHBondContact O-N 2.91Å; F55-F57 HydrophobicContact CB-CD2 4.14Å; F55-F57 HydrophobicContact CB-CE2 3.55Å; F55-F57 HydrophobicContact CB-CZ 4.4Å; F55-F57 HydrophobicContact CG-CE2 4.37Å; F55-L104 HydrophobicContact CD1-CD2 3.63Å; F55-L104 HydrophobicContact CE1-CD2 3.63Å; F55-L104 HydrophobicContact CG-CD2 4.29Å; F55-L104 HydrophobicContact CZ-CD2 4.31Å; F55-L104 VanDerWaalsContact CZ-O 3.25Å; F55-L104 WeakPolarHBondContact CZ-O 3.2Å; F55-F107 HydrophobicContact CE1-CB 4.04Å; F55-F107 HydrophobicContact CZ-CB 3.8Å; F55-S108 WeakPolarHBondContact CE2-OG 3.31Å
56	V	93.8	Very high	90	Very high	35 Å²	35	56.2 Å²	56.2	21%	0.212	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	121.7	169.8	176.7	0	0	0	0	107.8	K22 I23 L24 V25 V58	K22-V56 HydrophobicContact CB-CG2 3.98Å; K22-V56 HydrophobicContact CD-CG2 3.64Å; K22-V56 HydrophobicContact CG-CG2 4.44Å; I23-V56 PolarHBondContact O-N 2.78Å; L24-V56 CarbonylContact C-O 3.5Å; L24-V56 WeakPolarHBondContact CA-O 3.34Å; L24-V56 HydrophobicContact CD1-CB 4.23Å; L24-V56 HydrophobicContact CD1-CG1 4.03Å; V25-V56 PolarHBondContact N-O 3.2Å; V56-V58 HydrophobicContact CG1-CG1 4.37Å
57	F	97	Very high	90.1	Very high	17 Å²	17	62 Å²	62	8%	0.075	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	133.2	179.8	-70.7	-108.4	0	0	0	110.7	M1 V25 F43 L46 S47 F50 F55 L104	M1-F57 HydrophobicContact CG-CB 4.33Å; M1-F57 WeakPolarHBondContact CG-O 3.26Å; M1-F57 HydrophobicContact SD-CB 3.86Å; V25-F57 HydrophobicContact CB-CD1 3.93Å; V25-F57 HydrophobicContact CB-CE1 4.01Å; V25-F57 HydrophobicContact CB-CG 4.23Å; V25-F57 HydrophobicContact CB-CZ 4.4Å; V25-F57 HydrophobicContact CG1-CD1 4.02Å; V25-F57 HydrophobicContact CG1-CE1 3.85Å; V25-F57 HydrophobicContact CG2-CE1 4.23Å; V25-F57 HydrophobicContact CG2-CE2 4.31Å; V25-F57 HydrophobicContact CG2-CZ 4.13Å; V25-F57 WeakPolarHBondContact O-CA 3.38Å; F43-F57 HydrophobicContact CD2-CD1 4.36Å; F43-F57 HydrophobicContact CD2-CE1 4.46Å; F43-F57 HydrophobicContact CE1-CD1 4.01Å; F43-F57 AromaticContact CE2-CD1 3.72Å; F43-F57 HydrophobicContact CE2-CD1 3.72Å; F43-F57 AromaticContact CE2-CE1 3.95Å; F43-F57 HydrophobicContact CE2-CE1 3.95Å; F43-F57 AromaticContact CZ-CD1 3.53Å; F43-F57 HydrophobicContact CZ-CD1 3.53Å; F43-F57 HydrophobicContact CZ-CE1 4.22Å; L46-F57 HydrophobicContact CB-CE1 4.18Å; L46-F57 HydrophobicContact CB-CZ 4.46Å; S47-F57 VanDerWaalsContact CB-CG 3.43Å; F50-F57 HydrophobicContact CB-CE2 3.84Å; F50-F57 HydrophobicContact CB-CZ 4.07Å; F55-F57 HydrophobicContact CB-CD2 4.14Å; F55-F57 HydrophobicContact CB-CE2 3.55Å; F55-F57 HydrophobicContact CB-CZ 4.4Å; F55-F57 HydrophobicContact CG-CE2 4.37Å; F57-L104 HydrophobicContact CE1-CD1 4.06Å; F57-L104 HydrophobicContact CZ-CD1 3.77Å; F57-L104 HydrophobicContact CZ-CD2 4.01Å
58	V	97.4	Very high	90.1	Very high	1 Å²	1	61.4 Å²	61.4	1%	0.006	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	164.2	173.6	-57.6	0	0	0	0	110.7	R2 V4 T13 L24 V25 I26 D27 V56	R2-V58 HydrophobicContact CG-CB 4.4Å; R2-V58 HydrophobicContact CG-CG1 3.73Å; R2-V58 WeakPolarHBondContact O-CA 3.12Å; V4-V58 HydrophobicContact CG2-CB 4Å; V4-V58 HydrophobicContact CG2-CG1 4.29Å; V4-V58 HydrophobicContact CG2-CG2 4.05Å; T13-V58 HydrophobicContact CG2-CG1 4.36Å; L24-V58 HydrophobicContact CD1-CG1 4Å; L24-V58 HydrophobicContact CD1-CG2 3.74Å; L24-V58 HydrophobicContact CG-CG2 4.44Å; V25-V58 PolarHBondContact O-N 2.83Å; I26-V58 WeakPolarHBondContact CA-O 3.26Å; I26-V58 HydrophobicContact CB-CG2 4.2Å; I26-V58 HydrophobicContact CD1-CG2 4.16Å; I26-V58 HydrophobicContact CG1-CG2 3.67Å; I26-V58 HydrophobicContact CG2-CG2 4.14Å; D27-V58 PolarHBondContact N-O 2.85Å; V56-V58 HydrophobicContact CG1-CG1 4.37Å
59	K	97.9	Very high	90.4	Very high	36 Å²	36	57 Å²	57	16%	0.157	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	150.3	172.8	-50.5	-179.5	69.4	-174.2	0	110.9	M1 R2 V3 V4 D27 Y29	M1-K59 HydrophobicContact CE-CD 3.53Å; M1-K59 HydrophobicContact CE-CG 3.54Å; M1-K59 HydrophobicContact CG-CG 4.13Å; M1-K59 HydrophobicContact SD-CD 4.33Å; M1-K59 HydrophobicContact SD-CG 3.66Å; R2-K59 PolarHBondContact O-N 2.89Å; V3-K59 CarbonylContact C-O 3.52Å; V3-K59 WeakPolarHBondContact CA-O 3.39Å; V3-K59 HydrophobicContact CG2-CB 4.39Å; V4-K59 PolarHBondContact N-O 3.02Å; D27-K59 HydrophobicContact CB-CG 4.33Å; D27-K59 CarbonylContact O-C 3.57Å; D27-K59 WeakPolarHBondContact O-CA 3.27Å; D27-K59 VanDerWaalsContact OD2-CE 3.28Å; D27-K59 WeakPolarHBondContact OD2-CE 3.2Å; Y29-K59 HydrophobicContact CD1-CB 3.89Å; Y29-K59 HydrophobicContact CE1-CB 3.56Å; Y29-K59 HydrophobicContact CE1-CD 4.27Å
60	V	97.8	Very high	90.9	Very high	0 Å²	0	62 Å²	62	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	119.6	172.7	173.5	0	0	0	0	108.2	V4 I26 D27 F28 Y29 T62 C65 L68	V4-V60 HydrophobicContact CB-CG2 3.95Å; V4-V60 HydrophobicContact CG1-CG2 4.29Å; I26-V60 HydrophobicContact CG2-CB 4.23Å; I26-V60 HydrophobicContact CG2-CG2 3.66Å; D27-V60 PolarHBondContact O-N 3.28Å; F28-V60 WeakPolarHBondContact CA-O 3.42Å; F28-V60 HydrophobicContact CD1-CB 3.67Å; F28-V60 HydrophobicContact CD1-CG1 3.69Å; F28-V60 HydrophobicContact CD1-CG2 4.34Å; F28-V60 HydrophobicContact CE1-CB 3.85Å; F28-V60 HydrophobicContact CE1-CG1 3.78Å; F28-V60 HydrophobicContact CE1-CG2 4.04Å; F28-V60 HydrophobicContact CG-CB 4.4Å; Y29-V60 WeakPolarHBondContact CD1-O 3.27Å; Y29-V60 PolarHBondContact N-O 2.82Å; V60-T62 PolarHBondContact O-N 2.77Å; V60-C65 HydrophobicContact CG1-CB 3.84Å; V60-L68 HydrophobicContact CG1-CD2 3.89Å; V60-L68 HydrophobicContact CG2-CD2 4.07Å
61	N	97.1	Very high	91.2	Very high	2 Å²	2	67.3 Å²	67.3	1%	0.011	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	114.9	171.1	-177.8	-47	0	0	0	108.9	Y29 D31 E63 R64 C65	Y29-N61 HydrophobicContact CE1-CB 3.98Å; Y29-N61 CarbonylContact O-C 3.51Å; Y29-N61 WeakPolarHBondContact O-CA 3.33Å; D31-N61 PolarHBondContact OD2-ND2 2.85Å; N61-E63 VanDerWaalsContact C-N 3.26Å; N61-E63 PolarHBondContact O-N 2.87Å; N61-E63 WeakPolarHBondContact OD1-CB 3.39Å; N61-E63 PolarHBondContact OD1-N 2.81Å; N61-R64 HydrophobicContact CB-CB 4.27Å; N61-R64 HydrophobicContact CB-CG 4.21Å; N61-R64 PolarHBondContact O-N 2.63Å; N61-R64 PolarHBondContact OD1-N 2.78Å; N61-C65 WeakPolarHBondContact O-CB 3.48Å; N61-C65 PolarHBondContact O-N 2.8Å
62	T	95.6	Very high	92	Very high	17 Å²	17	62.7 Å²	62.7	10%	0.104	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-21.6	-172	56.1	0	0	0	0	114.3	F28 Y29 V60 S69 I74 L77	F28-T62 HydrophobicContact CB-CG2 3.82Å; F28-T62 HydrophobicContact CD1-CG2 4.1Å; F28-T62 HydrophobicContact CG-CG2 4.47Å; Y29-T62 PolarHBondContact O-N 3.26Å; Y29-T62 PolarHBondContact O-OG1 3.39Å; V60-T62 PolarHBondContact O-N 2.77Å; T62-S69 WeakPolarHBondContact CA-OG 3.42Å; T62-S69 VanDerWaalsContact CB-OG 3.29Å; T62-S69 WeakPolarHBondContact CB-OG 3.14Å; T62-S69 WeakPolarHBondContact CG2-OG 3.38Å; T62-S69 PolarHBondContact O-OG 2.89Å; T62-I74 HydrophobicContact CG2-CG2 4.17Å; T62-L77 HydrophobicContact CG2-CD2 3.65Å; T62-L77 WeakPolarHBondContact OG1-CD1 3.28Å
63	E	91.9	Very high	93.1	Very high	101 Å²	101	56.9 Å²	56.9	47%	0.472	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-31.8	176.7	-60.6	-172	131.8	0	0	112.3	A30 W32 N61	A30-E63 HydrophobicContact CB-CG 4.37Å; W32-E63 PolarHBondContact NE1-OE1 3.02Å; W32-E63 PolarHBondContact NE1-OE2 2.95Å; N61-E63 VanDerWaalsContact C-N 3.26Å; N61-E63 PolarHBondContact O-N 2.87Å; N61-E63 WeakPolarHBondContact OD1-CB 3.39Å; N61-E63 PolarHBondContact OD1-N 2.81Å
64	R	93.4	Very high	94.1	Very high	155 Å²	155	55.5 Å²	55.5	59%	0.585	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-33.4	174	-62.2	-175.4	-172.1	-179.5	2.7	111.7	E5 D31 N61	E5-R64 IonicContact OE2-NH1 3.92Å; D31-R64 IonicContact OD2-NH2 3.97Å; N61-R64 HydrophobicContact CB-CB 4.27Å; N61-R64 HydrophobicContact CB-CG 4.21Å; N61-R64 PolarHBondContact O-N 2.63Å; N61-R64 PolarHBondContact OD1-N 2.78Å
65	C	93.2	Very high	94.5	Very high	7 Å²	7	56 Å²	56	5%	0.047	28%	0.281	C	S	.	.			trans	-110.5	57.1	-176.6	-64	0	0	0	0	112.3	E5 V60 N61 E67 L68 S69	E5-C65 PolarHBondContact O-SG 2.82Å; V60-C65 HydrophobicContact CG1-CB 3.84Å; N61-C65 WeakPolarHBondContact O-CB 3.48Å; N61-C65 PolarHBondContact O-N 2.8Å; C65-E67 VanDerWaalsContact C-N 3.33Å; C65-E67 PolarHBondContact O-N 2.97Å; C65-L68 HydrophobicContact CB-CB 4.12Å; C65-L68 HydrophobicContact CB-CD2 4.47Å; C65-L68 PolarHBondContact O-N 3.04Å; C65-S69 WeakPolarHBondContact O-CB 3.3Å; C65-S69 PolarHBondContact O-N 2.94Å; C65-S69 PolarHBondContact O-OG 2.84Å
66	L	92.5	Very high	94.7	Very high	125 Å²	125	57.5 Å²	57.5	65%	0.654	30%	0.295	S	S	*	.	H	α-helix	trans	-59.8	-40.1	-175.6	-70	171.8	0	0	0	113.2	S69 R70	L66-S69 PolarHBondContact O-N 2.81Å; L66-R70 WeakPolarHBondContact O-CB 3.22Å; L66-R70 PolarHBondContact O-N 3.5Å
67	E	94.2	Very high	94.7	Very high	122 Å²	122	57.8 Å²	57.8	57%	0.57	30%	0.295	S	S	*	.	H	α-helix	trans	-63.3	-50.4	179	-174.6	-172.2	-160.5	0	0	111.5	T7 C65 S69 R70 K71	T7-E67 PolarHBondContact OG1-OE2 3.46Å; C65-E67 VanDerWaalsContact C-N 3.33Å; C65-E67 PolarHBondContact O-N 2.97Å; E67-S69 VanDerWaalsContact C-N 3.34Å; E67-S69 PolarHBondContact O-N 3.11Å; E67-R70 PolarHBondContact O-N 2.88Å; E67-K71 WeakPolarHBondContact O-CB 3.43Å; E67-K71 PolarHBondContact O-N 2.84Å
68	L	94.6	Very high	94.7	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-61.2	-43.4	176.9	178	60.7	0	0	0	111.3	F10 F28 V60 C65 R70 K71 E72	F10-L68 HydrophobicContact CB-CD1 4.05Å; F10-L68 HydrophobicContact CB-CD2 3.71Å; F10-L68 HydrophobicContact CD1-CD1 3.38Å; F10-L68 HydrophobicContact CD2-CD1 4.13Å; F10-L68 HydrophobicContact CD2-CD2 4.18Å; F10-L68 HydrophobicContact CE1-CD1 3.71Å; F10-L68 HydrophobicContact CE2-CD1 4.41Å; F10-L68 HydrophobicContact CG-CD1 3.59Å; F10-L68 HydrophobicContact CG-CD2 3.91Å; F10-L68 HydrophobicContact CG-CG 4.42Å; F10-L68 HydrophobicContact CZ-CD1 4.2Å; F28-L68 HydrophobicContact CE1-CG 4.42Å; V60-L68 HydrophobicContact CG1-CD2 3.89Å; V60-L68 HydrophobicContact CG2-CD2 4.07Å; C65-L68 HydrophobicContact CB-CB 4.12Å; C65-L68 HydrophobicContact CB-CD2 4.47Å; C65-L68 PolarHBondContact O-N 3.04Å; L68-R70 VanDerWaalsContact C-N 3.29Å; L68-R70 PolarHBondContact O-N 2.8Å; L68-K71 PolarHBondContact O-N 2.68Å; L68-E72 HydrophobicContact CD1-CG 3.79Å; L68-E72 HydrophobicContact CG-CG 4.38Å; L68-E72 WeakPolarHBondContact O-CB 3.38Å; L68-E72 WeakPolarHBondContact O-CG 3.45Å; L68-E72 PolarHBondContact O-N 2.98Å
69	S	93.9	Very high	94.7	Very high	11 Å²	11	57.1 Å²	57.1	8%	0.077	29%	0.292	C	S	.	.	H	α-helix	trans	-61	-39.1	178.7	-56.8	0	0	0	0	112	T62 C65 L66 E67 G73 I74	T62-S69 WeakPolarHBondContact CA-OG 3.42Å; T62-S69 VanDerWaalsContact CB-OG 3.29Å; T62-S69 WeakPolarHBondContact CB-OG 3.14Å; T62-S69 WeakPolarHBondContact CG2-OG 3.38Å; T62-S69 PolarHBondContact O-OG 2.89Å; C65-S69 WeakPolarHBondContact O-CB 3.3Å; C65-S69 PolarHBondContact O-N 2.94Å; C65-S69 PolarHBondContact O-OG 2.84Å; L66-S69 PolarHBondContact O-N 2.81Å; E67-S69 VanDerWaalsContact C-N 3.34Å; E67-S69 PolarHBondContact O-N 3.11Å; S69-G73 PolarHBondContact O-N 2.86Å; S69-G73 VanDerWaalsContact O-N 3.14Å; S69-I74 PolarHBondContact O-N 3.43Å
70	R	93.7	Very high	94.7	Very high	200 Å²	200	55.4 Å²	55.4	76%	0.755	29%	0.285	S	S	*	.	H	α-helix	trans	-69.4	-45.1	173.6	-175	-176.6	65.1	176	-1.5	111.7	L66 E67 L68 E72 G73	L66-R70 WeakPolarHBondContact O-CB 3.22Å; L66-R70 PolarHBondContact O-N 3.5Å; E67-R70 PolarHBondContact O-N 2.88Å; L68-R70 VanDerWaalsContact C-N 3.29Å; L68-R70 PolarHBondContact O-N 2.8Å; R70-E72 VanDerWaalsContact C-N 3.27Å; R70-E72 PolarHBondContact O-N 2.8Å; R70-G73 PolarHBondContact O-N 3.39Å; R70-G73 VanDerWaalsContact O-N 3.09Å
71	K	93.2	Very high	94.7	Very high	113 Å²	113	56.3 Å²	56.3	49%	0.491	29%	0.288	S	S	.	.	H	α-helix	trans	-57.8	-41.9	177.3	179.5	-178.5	175	-175.2	0	111.3	T7 E11 E67 L68 G73	T7-K71 HydrophobicContact CG2-CD 4.33Å; E11-K71 IonicContact OE1-NZ 2.78Å; E11-K71 PolarHBondContact OE1-NZ 2.89Å; E67-K71 WeakPolarHBondContact O-CB 3.43Å; E67-K71 PolarHBondContact O-N 2.84Å; L68-K71 PolarHBondContact O-N 2.68Å; K71-G73 VanDerWaalsContact C-N 3.3Å; K71-G73 PolarHBondContact O-N 2.73Å
72	E	94.9	Very high	94.7	Very high	29 Å²	29	56.2 Å²	56.2	14%	0.136	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-0.2	178.9	-66.7	-56.6	141	0	0	113.6	F10 F28 L68 R70 I74 K81 Y83	F10-E72 WeakPolarHBondContact CE1-OE1 3.35Å; F10-E72 HydrophobicContact CZ-CG 4.26Å; F10-E72 WeakPolarHBondContact CZ-OE1 3.21Å; F28-E72 HydrophobicContact CE1-CB 4.38Å; F28-E72 HydrophobicContact CE1-CG 4.39Å; F28-E72 HydrophobicContact CZ-CB 4.14Å; F28-E72 HydrophobicContact CZ-CG 4Å; L68-E72 HydrophobicContact CD1-CG 3.79Å; L68-E72 HydrophobicContact CG-CG 4.38Å; L68-E72 WeakPolarHBondContact O-CB 3.38Å; L68-E72 WeakPolarHBondContact O-CG 3.45Å; L68-E72 PolarHBondContact O-N 2.98Å; R70-E72 VanDerWaalsContact C-N 3.27Å; R70-E72 PolarHBondContact O-N 2.8Å; E72-I74 VanDerWaalsContact C-N 3.35Å; E72-I74 HydrophobicContact CB-CD1 4.11Å; E72-I74 HydrophobicContact CB-CG1 4.11Å; E72-I74 PolarHBondContact O-N 3Å; E72-K81 VanDerWaalsContact O-CE 3.32Å; E72-K81 WeakPolarHBondContact O-CE 3.31Å; E72-K81 PolarHBondContact O-NZ 3.16Å; E72-K81 IonicContact OE2-NZ 3.59Å; E72-K81 PolarHBondContact OE2-NZ 2.7Å; E72-Y83 PolarHBondContact OE2-OH 2.65Å
73	G	93.7	Very high	94.6	Very high	56 Å²	56	55.8 Å²	55.8	58%	0.577	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.6	36.8	175.9	0	0	0	0	0	114.1	S69 R70 K71 S75	S69-G73 PolarHBondContact O-N 2.86Å; S69-G73 VanDerWaalsContact O-N 3.14Å; R70-G73 PolarHBondContact O-N 3.39Å; R70-G73 VanDerWaalsContact O-N 3.09Å; K71-G73 VanDerWaalsContact C-N 3.3Å; K71-G73 PolarHBondContact O-N 2.73Å; G73-S75 PolarHBondContact O-N 3.23Å
74	I	96.1	Very high	94.5	Very high	29 Å²	29	55.2 Å²	55.2	15%	0.149	28%	0.282	C	S	.	.			trans	-74.2	107.5	-179.9	-52.1	-58.7	0	0	0	109.9	F28 T62 S69 E72 L77 T79 K81	F28-I74 HydrophobicContact CB-CD1 4.18Å; F28-I74 HydrophobicContact CB-CG1 4.28Å; F28-I74 HydrophobicContact CB-CG2 4.2Å; F28-I74 HydrophobicContact CD1-CD1 3.95Å; F28-I74 HydrophobicContact CD1-CG1 3.74Å; F28-I74 HydrophobicContact CD2-CD1 3.62Å; F28-I74 HydrophobicContact CD2-CG1 4.33Å; F28-I74 HydrophobicContact CE1-CD1 4.21Å; F28-I74 HydrophobicContact CE1-CG1 4.1Å; F28-I74 HydrophobicContact CE2-CD1 3.91Å; F28-I74 HydrophobicContact CG-CD1 3.65Å; F28-I74 HydrophobicContact CG-CG1 3.86Å; F28-I74 HydrophobicContact CZ-CD1 4.2Å; T62-I74 HydrophobicContact CG2-CG2 4.17Å; S69-I74 PolarHBondContact O-N 3.43Å; E72-I74 VanDerWaalsContact C-N 3.35Å; E72-I74 HydrophobicContact CB-CD1 4.11Å; E72-I74 HydrophobicContact CB-CG1 4.11Å; E72-I74 PolarHBondContact O-N 3Å; I74-L77 HydrophobicContact CG2-CD2 3.84Å; I74-T79 HydrophobicContact CD1-CG2 3.82Å; I74-K81 HydrophobicContact CD1-CD 4.35Å
75	S	91.8	Very high	94.3	Very high	112 Å²	112	51.9 Å²	51.9	78%	0.783	28%	0.276	S	S	*	.			trans	-102.7	-13.1	-177.7	65.4	0	0	0	0	114.6	G73	G73-S75 PolarHBondContact O-N 3.23Å
76	A	94.4	Very high	94.2	Very high	40 Å²	40	56.7 Å²	56.7	33%	0.331	30%	0.297	S	S	.	.	S	Bend	trans	-152	160	-178.4	0	0	0	0	0	110.7	T79 V93	A76-T79 PolarHBondContact O-OG1 3.29Å; A76-V93 HydrophobicContact CB-CG1 3.57Å
77	L	95.6	Very high	94.2	Very high	41 Å²	41	57.5 Å²	57.5	22%	0.215	30%	0.296	C	S	.	.	S	Bend	trans	-129.8	146.4	-176.5	-61	175.4	0	0	0	111.8	F28 A30 T62 I74	F28-L77 HydrophobicContact CB-CD2 4.45Å; F28-L77 WeakPolarHBondContact O-CD2 3.31Å; A30-L77 HydrophobicContact CB-CD1 3.61Å; T62-L77 HydrophobicContact CG2-CD2 3.65Å; T62-L77 WeakPolarHBondContact OG1-CD1 3.28Å; I74-L77 HydrophobicContact CG2-CD2 3.84Å
78	P	96.8	Very high	94.1	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.287	C	S	.	.	S	Bend	cis	-66	151.5	-13	29.6	-35.3	0	0	0	110.5	F28 C36 I39 F80 G94	F28-P78 WeakPolarHBondContact O-CA 3.49Å; C36-P78 VanDerWaalsContact SG-CA 3.6Å; I39-P78 HydrophobicContact CG2-CB 4.28Å; I39-P78 HydrophobicContact CG2-CG 3.93Å; P78-F80 HydrophobicContact CB-CE2 4.04Å; P78-F80 HydrophobicContact CB-CZ 3.99Å; P78-F80 HydrophobicContact CG-CE2 4.05Å; P78-F80 HydrophobicContact CG-CZ 4.23Å; P78-G94 WeakPolarHBondContact O-CA 3.35Å; P78-G94 PolarHBondContact O-N 2.79Å
79	T	97.5	Very high	94	Very high	3 Å²	3	57.1 Å²	57.1	2%	0.018	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	128.3	167.1	-73.8	0	0	0	0	108.6	F28 I74 A76 K81 T91 I92 V93	F28-T79 WeakPolarHBondContact CB-O 3.45Å; F28-T79 WeakPolarHBondContact CD2-O 3.47Å; F28-T79 PolarHBondContact N-O 3.23Å; F28-T79 PolarHBondContact O-N 2.75Å; I74-T79 HydrophobicContact CD1-CG2 3.82Å; A76-T79 PolarHBondContact O-OG1 3.29Å; T79-K81 HydrophobicContact CG2-CG 4.28Å; T79-T91 HydrophobicContact CG2-CG2 3.95Å; T79-I92 CarbonylContact C-O 3.55Å; T79-I92 WeakPolarHBondContact CA-O 3.26Å; T79-V93 HydrophobicContact CG2-CG2 4.41Å
80	F	97.6	Very high	94	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	136.3	173.1	-51.1	-85.9	0	0	0	110.1	I26 D27 I39 F43 P78 T91 I92 L100	I26-F80 CarbonylContact O-C 3.58Å; I26-F80 WeakPolarHBondContact O-CA 3.35Å; D27-F80 HydrophobicContact CB-CD1 3.97Å; D27-F80 HydrophobicContact CB-CE1 3.76Å; D27-F80 WeakPolarHBondContact OD1-CE1 3.34Å; I39-F80 HydrophobicContact CD1-CE2 3.6Å; I39-F80 HydrophobicContact CD1-CZ 3.41Å; I39-F80 VanDerWaalsContact CD1-CZ 3.41Å; I39-F80 HydrophobicContact CG1-CZ 3.93Å; I39-F80 HydrophobicContact CG2-CZ 3.96Å; F43-F80 HydrophobicContact CB-CE1 4.5Å; F43-F80 AromaticContact CD2-CD1 3.79Å; F43-F80 HydrophobicContact CD2-CD1 3.79Å; F43-F80 AromaticContact CD2-CE1 3.49Å; F43-F80 HydrophobicContact CD2-CE1 3.49Å; F43-F80 VanDerWaalsContact CD2-CE1 3.49Å; F43-F80 AromaticContact CE2-CD1 3.56Å; F43-F80 HydrophobicContact CE2-CD1 3.56Å; F43-F80 AromaticContact CE2-CE1 3.75Å; F43-F80 HydrophobicContact CE2-CE1 3.75Å; F43-F80 HydrophobicContact CG-CE1 4.01Å; F43-F80 HydrophobicContact CZ-CD1 4.24Å; F43-F80 HydrophobicContact CZ-CE1 4.46Å; P78-F80 HydrophobicContact CB-CE2 4.04Å; P78-F80 HydrophobicContact CB-CZ 3.99Å; P78-F80 HydrophobicContact CG-CE2 4.05Å; P78-F80 HydrophobicContact CG-CZ 4.23Å; F80-T91 CarbonylContact O-C 3.58Å; F80-T91 WeakPolarHBondContact O-CA 3.22Å; F80-I92 HydrophobicContact CB-CB 4.2Å; F80-I92 HydrophobicContact CD2-CB 4.4Å; F80-I92 HydrophobicContact CD2-CG2 4.46Å; F80-I92 PolarHBondContact N-O 3.01Å; F80-I92 PolarHBondContact O-N 2.86Å; F80-L100 HydrophobicContact CB-CD1 4.32Å; F80-L100 HydrophobicContact CD1-CD2 3.95Å; F80-L100 HydrophobicContact CE1-CD2 4.19Å; F80-L100 HydrophobicContact CG-CD2 4.15Å
81	K	97.2	Very high	94.1	Very high	19 Å²	19	52.8 Å²	52.8	8%	0.083	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	143.1	170.9	-68.4	-168.3	168.3	-163.1	0	110.9	I26 F28 E72 I74 T79 Y83 E90 T91	I26-K81 PolarHBondContact N-O 2.84Å; I26-K81 PolarHBondContact O-N 2.82Å; F28-K81 HydrophobicContact CD2-CG 4.38Å; F28-K81 HydrophobicContact CE2-CB 4.07Å; F28-K81 HydrophobicContact CE2-CD 3.9Å; F28-K81 HydrophobicContact CE2-CG 3.98Å; E72-K81 VanDerWaalsContact O-CE 3.32Å; E72-K81 WeakPolarHBondContact O-CE 3.31Å; E72-K81 PolarHBondContact O-NZ 3.16Å; E72-K81 IonicContact OE2-NZ 3.59Å; E72-K81 PolarHBondContact OE2-NZ 2.7Å; I74-K81 HydrophobicContact CD1-CD 4.35Å; T79-K81 HydrophobicContact CG2-CG 4.28Å; K81-Y83 HydrophobicContact CB-CD2 4.38Å; K81-Y83 HydrophobicContact CB-CE2 3.54Å; K81-Y83 HydrophobicContact CD-CE2 4.3Å; K81-Y83 WeakPolarHBondContact CD-OH 3.32Å; K81-E90 WeakPolarHBondContact CA-O 3.44Å; K81-T91 HydrophobicContact CG-CG2 4.21Å
82	L	96.3	Very high	94.1	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	138.7	173.1	-72.2	77.1	0	0	0	108.9	I23 L24 V25 C88 I89 E90 I92 L100 I103 L104 F107	I23-L82 HydrophobicContact CG2-CB 4.25Å; I23-L82 HydrophobicContact CG2-CD2 4.26Å; L24-L82 CarbonylContact O-C 3.58Å; L24-L82 VanDerWaalsContact O-CA 3.27Å; L24-L82 WeakPolarHBondContact O-CA 3.3Å; V25-L82 HydrophobicContact CG1-CD1 4.39Å; V25-L82 HydrophobicContact CG1-CG 4.32Å; V25-L82 HydrophobicContact CG2-CG 4.29Å; L82-C88 CarbonylContact O-C 3.58Å; L82-C88 WeakPolarHBondContact O-CA 3.49Å; L82-I89 HydrophobicContact CB-CD1 4.15Å; L82-I89 HydrophobicContact CB-CG1 3.77Å; L82-I89 WeakPolarHBondContact O-CG1 3.21Å; L82-I89 PolarHBondContact O-N 3.5Å; L82-E90 HydrophobicContact CB-CB 4.23Å; L82-E90 HydrophobicContact CD1-CB 4.19Å; L82-E90 PolarHBondContact N-O 3.13Å; L82-I92 HydrophobicContact CD1-CD1 4.42Å; L82-L100 HydrophobicContact CD1-CD1 4.11Å; L82-I103 HydrophobicContact CD1-CG2 4.24Å; L82-I103 HydrophobicContact CD2-CG2 3.58Å; L82-L104 HydrophobicContact CD2-CD2 4.08Å; L82-F107 HydrophobicContact CD2-CD2 3.84Å; L82-F107 HydrophobicContact CD2-CE2 4.22Å
83	Y	94.3	Very high	93.9	Very high	8 Å²	8	50 Å²	50	3%	0.031	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	136.9	176.8	-57.4	-106.5	0	0	0	111.2	F10 L14 I23 L24 I26 E72 K81 K87 C88	F10-Y83 HydrophobicContact CE2-CE2 4.24Å; F10-Y83 HydrophobicContact CZ-CE1 4.01Å; F10-Y83 HydrophobicContact CZ-CE2 4.48Å; F10-Y83 AromaticContact CZ-CZ 3.86Å; L14-Y83 VanDerWaalsContact CD2-CB 3.48Å; L14-Y83 HydrophobicContact CD2-CD1 3.61Å; L14-Y83 HydrophobicContact CD2-CD2 4.12Å; L14-Y83 HydrophobicContact CD2-CE1 4.36Å; L14-Y83 HydrophobicContact CD2-CG 3.48Å; L14-Y83 VanDerWaalsContact CD2-CG 3.48Å; I23-Y83 CarbonylContact C-O 3.59Å; I23-Y83 VanDerWaalsContact CA-O 3.29Å; I23-Y83 WeakPolarHBondContact CA-O 3.38Å; I23-Y83 WeakPolarHBondContact CG2-O 3.41Å; L24-Y83 HydrophobicContact CD2-CD2 4.48Å; L24-Y83 PolarHBondContact N-O 3.2Å; L24-Y83 PolarHBondContact O-N 3.06Å; I26-Y83 HydrophobicContact CD1-CD2 4.02Å; I26-Y83 HydrophobicContact CD1-CE2 3.58Å; I26-Y83 HydrophobicContact CG1-CD2 4.27Å; I26-Y83 HydrophobicContact CG1-CE2 4.05Å; E72-Y83 PolarHBondContact OE2-OH 2.65Å; K81-Y83 HydrophobicContact CB-CD2 4.38Å; K81-Y83 HydrophobicContact CB-CE2 3.54Å; K81-Y83 HydrophobicContact CD-CE2 4.3Å; K81-Y83 WeakPolarHBondContact CD-OH 3.32Å; Y83-K87 CarbonylContact C-O 3.59Å; Y83-K87 WeakPolarHBondContact CA-O 3.19Å; Y83-C88 HydrophobicContact CD1-CB 3.93Å; Y83-C88 HydrophobicContact CE1-CB 3.67Å
84	H	89.7	Confident	93.7	Very high	90 Å²	90	48.4 Å²	48.4	42%	0.417	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	135.1	170.5	-179.6	66.4	0	0	0	108.1	I23 E86 K87 I89	I23-H84 HydrophobicContact CG1-CB 4.22Å; H84-E86 VanDerWaalsContact C-N 3.3Å; H84-E86 PolarHBondContact O-N 3.02Å; H84-K87 PolarHBondContact N-O 2.8Å; H84-K87 PolarHBondContact O-N 3.06Å; H84-I89 HydrophobicContact CB-CD1 3.82Å; H84-I89 HydrophobicContact CB-CG2 4Å
85	D	88.5	Confident	93.2	Very high	85 Å²	85	49.5 Å²	49.5	46%	0.455	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.5	51.4	-173.1	-170	35.4	0	0	0	113.1	S18 K87	S18-D85 PolarHBondContact OG-OD1 2.89Å; D85-K87 PolarHBondContact O-N 3.42Å
86	E	91.8	Very high	92.9	Very high	107 Å²	107	47.9 Å²	47.9	50%	0.5	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.3	3.6	-179.3	-51.4	-171.5	-169.7	0	0	116	L14 R15 H84	L14-E86 HydrophobicContact CB-CG 4.31Å; R15-E86 WeakPolarHBondContact CA-OE1 3.19Å; H84-E86 VanDerWaalsContact C-N 3.3Å; H84-E86 PolarHBondContact O-N 3.02Å
87	K	92	Very high	92.6	Very high	143 Å²	143	46.7 Å²	46.7	62%	0.622	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.6	137.6	179.3	-68.4	169	-173.2	159.4	0	111.2	Y83 H84 D85 I89	Y83-K87 CarbonylContact C-O 3.59Å; Y83-K87 WeakPolarHBondContact CA-O 3.19Å; H84-K87 PolarHBondContact N-O 2.8Å; H84-K87 PolarHBondContact O-N 3.06Å; D85-K87 PolarHBondContact O-N 3.42Å; K87-I89 PolarHBondContact O-N 2.97Å
88	C	93.5	Very high	91.9	Very high	56 Å²	56	47.2 Å²	47.2	38%	0.378	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	116	171.4	-173	0	0	0	0	109.2	L82 Y83 E90 T91	L82-C88 CarbonylContact O-C 3.58Å; L82-C88 WeakPolarHBondContact O-CA 3.49Å; Y83-C88 HydrophobicContact CD1-CB 3.93Å; Y83-C88 HydrophobicContact CE1-CB 3.67Å; C88-E90 PolarHBondContact SG-O 3.08Å; C88-T91 PolarHBondContact SG-OG1 3.45Å
89	I	92	Very high	91.4	Very high	58 Å²	58	52.8 Å²	52.8	30%	0.297	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	-25.5	-178.9	62.6	-176.5	0	0	0	112.4	I23 L82 H84 K87 F107	I23-I89 HydrophobicContact CG2-CD1 4.24Å; L82-I89 HydrophobicContact CB-CD1 4.15Å; L82-I89 HydrophobicContact CB-CG1 3.77Å; L82-I89 WeakPolarHBondContact O-CG1 3.21Å; L82-I89 PolarHBondContact O-N 3.5Å; H84-I89 HydrophobicContact CB-CD1 3.82Å; H84-I89 HydrophobicContact CB-CG2 4Å; K87-I89 PolarHBondContact O-N 2.97Å; I89-F107 HydrophobicContact CB-CZ 4.22Å; I89-F107 HydrophobicContact CD1-CD1 3.98Å; I89-F107 HydrophobicContact CD1-CD2 4.21Å; I89-F107 HydrophobicContact CD1-CE1 3.57Å; I89-F107 HydrophobicContact CD1-CE2 3.8Å; I89-F107 HydrophobicContact CD1-CG 4.31Å; I89-F107 HydrophobicContact CD1-CZ 3.48Å; I89-F107 VanDerWaalsContact CD1-CZ 3.48Å; I89-F107 HydrophobicContact CG1-CE1 4.38Å; I89-F107 HydrophobicContact CG1-CE2 4.13Å; I89-F107 HydrophobicContact CG1-CZ 3.84Å
90	E	93.4	Very high	91.1	Very high	62 Å²	62	52.6 Å²	52.6	29%	0.29	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	149.6	179.5	-94.6	-61.8	168.1	0	0	111.8	K81 L82 C88 R99 I103 F107	K81-E90 WeakPolarHBondContact CA-O 3.44Å; L82-E90 HydrophobicContact CB-CB 4.23Å; L82-E90 HydrophobicContact CD1-CB 4.19Å; L82-E90 PolarHBondContact N-O 3.13Å; C88-E90 PolarHBondContact SG-O 3.08Å; E90-R99 IonicContact OE2-NH2 3.66Å; E90-I103 HydrophobicContact CB-CG2 4.29Å; E90-I103 HydrophobicContact CG-CD1 4.04Å; E90-I103 HydrophobicContact CG-CG2 4.03Å; E90-F107 HydrophobicContact CB-CE2 4.45Å; E90-F107 HydrophobicContact CG-CE2 3.89Å; E90-F107 HydrophobicContact CG-CZ 4.32Å
91	T	95	Very high	90.7	Very high	58 Å²	58	56.9 Å²	56.9	36%	0.356	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	123.6	175.3	-63.3	0	0	0	0	109.7	T79 F80 K81 C88 V93	T79-T91 HydrophobicContact CG2-CG2 3.95Å; F80-T91 CarbonylContact O-C 3.58Å; F80-T91 WeakPolarHBondContact O-CA 3.22Å; K81-T91 HydrophobicContact CG-CG2 4.21Å; C88-T91 PolarHBondContact SG-OG1 3.45Å; T91-V93 HydrophobicContact CG2-CG2 4.35Å
92	I	93.2	Very high	89.9	Confident	2 Å²	2	61.8 Å²	61.8	1%	0.01	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	113.8	-176.4	-50.9	168.1	0	0	0	108	T79 F80 L82 N96 R99 L100 I103	T79-I92 CarbonylContact C-O 3.55Å; T79-I92 WeakPolarHBondContact CA-O 3.26Å; F80-I92 HydrophobicContact CB-CB 4.2Å; F80-I92 HydrophobicContact CD2-CB 4.4Å; F80-I92 HydrophobicContact CD2-CG2 4.46Å; F80-I92 PolarHBondContact N-O 3.01Å; F80-I92 PolarHBondContact O-N 2.86Å; L82-I92 HydrophobicContact CD1-CD1 4.42Å; I92-N96 HydrophobicContact CG2-CB 4.42Å; I92-R99 HydrophobicContact CD1-CG 4.4Å; I92-R99 HydrophobicContact CG1-CG 4.49Å; I92-R99 HydrophobicContact CG2-CB 4.47Å; I92-R99 HydrophobicContact CG2-CG 4.28Å; I92-L100 HydrophobicContact CD1-CB 3.95Å; I92-L100 HydrophobicContact CD1-CD1 3.75Å; I92-L100 HydrophobicContact CD1-CG 4.46Å; I92-I103 HydrophobicContact CD1-CD1 3.53Å; I92-I103 HydrophobicContact CG1-CD1 3.78Å
93	V	92	Very high	89.3	Confident	80 Å²	80	62.1 Å²	62.1	49%	0.485	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	135.7	179.2	-179	0	0	0	0	110.1	A76 T79 T91	A76-V93 HydrophobicContact CB-CG1 3.57Å; T79-V93 HydrophobicContact CG2-CG2 4.41Å; T91-V93 HydrophobicContact CG2-CG2 4.35Å
94	G	89.6	Confident	89.1	Confident	23 Å²	23	61.8 Å²	61.8	24%	0.237	33%	0.325	C	S	.	.	S	Bend	trans	87.6	170	177.7	0	0	0	0	0	114	P78 N96	P78-G94 WeakPolarHBondContact O-CA 3.35Å; P78-G94 PolarHBondContact O-N 2.79Å; G94-N96 PolarHBondContact O-N 3.34Å
95	S	84.7	Confident	88.7	Confident	53 Å²	53	60.3 Å²	60.3	37%	0.371	32%	0.321	S	S	.	.	S	Bend	trans	-73.8	60.6	-175.3	-54.1	0	0	0	0	113.7	P35 I39	P35-S95 WeakPolarHBondContact CB-OG 3.12Å; P35-S95 PolarHBondContact O-OG 3.48Å; I39-S95 VanDerWaalsContact CD1-CA 3.5Å
96	N	86.6	Confident	88.2	Confident	77 Å²	77	60.1 Å²	60.1	41%	0.412	32%	0.317	S	S	.	.			trans	-107.2	77.4	-177.2	-167.2	-20.1	0	0	0	112.3	I92 G94 G98 R99 L100	I92-N96 HydrophobicContact CG2-CB 4.42Å; G94-N96 PolarHBondContact O-N 3.34Å; N96-G98 VanDerWaalsContact C-N 3.27Å; N96-G98 PolarHBondContact O-N 3.34Å; N96-G98 PolarHBondContact OD1-N 3.39Å; N96-R99 HydrophobicContact CB-CB 4.24Å; N96-R99 VanDerWaalsContact CG-CB 3.45Å; N96-R99 PolarHBondContact O-N 2.95Å; N96-R99 WeakPolarHBondContact OD1-CB 3.08Å; N96-R99 PolarHBondContact OD1-N 3.21Å; N96-L100 PolarHBondContact O-N 3.15Å; N96-L100 VanDerWaalsContact O-N 3.08Å
97	V	87.5	Confident	87.8	Confident	16 Å²	16	58.5 Å²	58.5	10%	0.097	31%	0.309	C	S	.	.	H	α-helix	trans	-62.2	-33.1	177.7	176.7	0	0	0	0	112.9	I39 Q42 L46 L100 R101	I39-V97 HydrophobicContact CD1-CG2 3.27Å; I39-V97 HydrophobicContact CG1-CG2 3.36Å; Q42-V97 HydrophobicContact CB-CG1 4.24Å; Q42-V97 HydrophobicContact CB-CG2 3.74Å; Q42-V97 HydrophobicContact CG-CG2 4.43Å; L46-V97 HydrophobicContact CD1-CG1 4.05Å; V97-L100 PolarHBondContact O-N 3.1Å; V97-R101 WeakPolarHBondContact O-CB 3.37Å; V97-R101 PolarHBondContact O-N 3.11Å
98	G	81.5	Confident	87.2	Confident	51 Å²	51	52.4 Å²	52.4	53%	0.526	28%	0.284	S	S	.	.	H	α-helix	trans	-60.8	-48.7	177.4	0	0	0	0	0	111.7	N96 H102	N96-G98 VanDerWaalsContact C-N 3.27Å; N96-G98 PolarHBondContact O-N 3.34Å; N96-G98 PolarHBondContact OD1-N 3.39Å; G98-H102 WeakPolarHBondContact O-CB 3.45Å; G98-H102 PolarHBondContact O-N 3.02Å
99	R	86	Confident	86.8	Confident	117 Å²	117	50.6 Å²	50.6	44%	0.442	27%	0.27	S	S	.	.	H	α-helix	trans	-64.9	-42.2	176.4	-177.5	169.9	176.5	-178.5	-2	111.9	E90 I92 N96 H102 I103	E90-R99 IonicContact OE2-NH2 3.66Å; I92-R99 HydrophobicContact CD1-CG 4.4Å; I92-R99 HydrophobicContact CG1-CG 4.49Å; I92-R99 HydrophobicContact CG2-CB 4.47Å; I92-R99 HydrophobicContact CG2-CG 4.28Å; N96-R99 HydrophobicContact CB-CB 4.24Å; N96-R99 VanDerWaalsContact CG-CB 3.45Å; N96-R99 PolarHBondContact O-N 2.95Å; N96-R99 WeakPolarHBondContact OD1-CB 3.08Å; N96-R99 PolarHBondContact OD1-N 3.21Å; R99-H102 PolarHBondContact O-N 3.14Å; R99-I103 HydrophobicContact CG-CD1 3.88Å; R99-I103 WeakPolarHBondContact O-CG1 3.31Å; R99-I103 PolarHBondContact O-N 3.29Å
100	L	90.6	Very high	86.5	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-60.7	-50.5	176.3	178.8	62.5	0	0	0	111.6	V25 F43 L46 F80 L82 I92 N96 V97 H102 I103 L104	V25-L100 HydrophobicContact CG1-CD1 4.21Å; F43-L100 HydrophobicContact CD2-CD2 3.52Å; F43-L100 HydrophobicContact CE2-CD2 3.73Å; L46-L100 HydrophobicContact CD1-CB 4.47Å; L46-L100 HydrophobicContact CD1-CD2 3.59Å; L46-L100 HydrophobicContact CD1-CG 3.92Å; F80-L100 HydrophobicContact CB-CD1 4.32Å; F80-L100 HydrophobicContact CD1-CD2 3.95Å; F80-L100 HydrophobicContact CE1-CD2 4.19Å; F80-L100 HydrophobicContact CG-CD2 4.15Å; L82-L100 HydrophobicContact CD1-CD1 4.11Å; I92-L100 HydrophobicContact CD1-CB 3.95Å; I92-L100 HydrophobicContact CD1-CD1 3.75Å; I92-L100 HydrophobicContact CD1-CG 4.46Å; N96-L100 PolarHBondContact O-N 3.15Å; N96-L100 VanDerWaalsContact O-N 3.08Å; V97-L100 PolarHBondContact O-N 3.1Å; L100-H102 VanDerWaalsContact C-N 3.29Å; L100-H102 PolarHBondContact O-N 2.78Å; L100-I103 PolarHBondContact O-N 2.93Å; L100-L104 HydrophobicContact CD1-CD1 4.16Å; L100-L104 HydrophobicContact CD1-CG 4.13Å; L100-L104 HydrophobicContact CG-CD1 3.95Å; L100-L104 HydrophobicContact CG-CG 4.37Å; L100-L104 VanDerWaalsContact O-CG 3.25Å; L100-L104 WeakPolarHBondContact O-CG 3.43Å; L100-L104 PolarHBondContact O-N 2.82Å
101	R	88.3	Confident	86.1	Confident	90 Å²	90	51.8 Å²	51.8	34%	0.34	28%	0.279	S	S	.	.	H	α-helix	trans	-58.2	-41.4	176	-179.2	175.9	-75.4	110.7	0.5	112	L46 E49 V97 L104 N105	L46-R101 HydrophobicContact CD2-CB 4Å; L46-R101 HydrophobicContact CD2-CG 4.17Å; E49-R101 IonicContact OE1-NE 2.98Å; E49-R101 IonicContact OE2-CZ 2.96Å; E49-R101 IonicContact OE2-NE 3.76Å; E49-R101 PolarHBondContact OE2-NE 3.06Å; E49-R101 IonicContact OE2-NH2 2.67Å; E49-R101 PolarHBondContact OE2-NH2 3.37Å; E49-R101 VanDerWaalsContact OE2-NH2 3.15Å; V97-R101 WeakPolarHBondContact O-CB 3.37Å; V97-R101 PolarHBondContact O-N 3.11Å; R101-L104 PolarHBondContact O-N 2.78Å; R101-N105 WeakPolarHBondContact O-CB 3.31Å; R101-N105 PolarHBondContact O-N 3.47Å; R101-N105 PolarHBondContact O-ND2 2.77Å
102	H	80.9	Confident	85.9	Confident	121 Å²	121	49 Å²	49	56%	0.56	26%	0.262	S	S	*	.	H	α-helix	trans	-60	-49.3	178.2	-178.8	67.7	0	0	0	111.6	G98 R99 L100 N105 E106	G98-H102 WeakPolarHBondContact O-CB 3.45Å; G98-H102 PolarHBondContact O-N 3.02Å; R99-H102 PolarHBondContact O-N 3.14Å; L100-H102 VanDerWaalsContact C-N 3.29Å; L100-H102 PolarHBondContact O-N 2.78Å; H102-N105 PolarHBondContact O-N 3.14Å; H102-E106 PolarHBondContact O-N 3Å
103	I	85	Confident	85.7	Confident	8 Å²	8	48.9 Å²	48.9	4%	0.041	26%	0.262	C	S	.	.	H	α-helix	trans	-63.1	-44.3	178	-75.1	169.6	0	0	0	111.1	L82 E90 I92 R99 L100 N105 E106 F107	L82-I103 HydrophobicContact CD1-CG2 4.24Å; L82-I103 HydrophobicContact CD2-CG2 3.58Å; E90-I103 HydrophobicContact CB-CG2 4.29Å; E90-I103 HydrophobicContact CG-CD1 4.04Å; E90-I103 HydrophobicContact CG-CG2 4.03Å; I92-I103 HydrophobicContact CD1-CD1 3.53Å; I92-I103 HydrophobicContact CG1-CD1 3.78Å; R99-I103 HydrophobicContact CG-CD1 3.88Å; R99-I103 WeakPolarHBondContact O-CG1 3.31Å; R99-I103 PolarHBondContact O-N 3.29Å; L100-I103 PolarHBondContact O-N 2.93Å; I103-N105 VanDerWaalsContact C-N 3.32Å; I103-N105 PolarHBondContact O-N 2.86Å; I103-E106 PolarHBondContact O-N 3.16Å; I103-F107 HydrophobicContact CG2-CD2 3.51Å; I103-F107 HydrophobicContact CG2-CE2 3.55Å; I103-F107 VanDerWaalsContact O-CD2 3.28Å; I103-F107 WeakPolarHBondContact O-CD2 3.33Å; I103-F107 PolarHBondContact O-N 2.82Å
104	L	88.7	Confident	85.4	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-60.4	-41.2	176.4	-68.8	170.9	0	0	0	112	V25 L46 F50 F55 F57 L82 L100 R101 S108	V25-L104 HydrophobicContact CG1-CD2 4.3Å; V25-L104 HydrophobicContact CG2-CD2 3.64Å; L46-L104 HydrophobicContact CB-CD1 4.36Å; L46-L104 HydrophobicContact CD1-CD1 4.13Å; L46-L104 HydrophobicContact CD2-CD1 4.25Å; F50-L104 HydrophobicContact CD1-CB 3.99Å; F50-L104 HydrophobicContact CD2-CD1 4.19Å; F50-L104 HydrophobicContact CE1-CB 3.53Å; F50-L104 HydrophobicContact CE2-CB 4.21Å; F50-L104 HydrophobicContact CE2-CD1 4.15Å; F50-L104 HydrophobicContact CZ-CB 3.65Å; F50-L104 HydrophobicContact CZ-CD1 4.43Å; F55-L104 HydrophobicContact CD1-CD2 3.63Å; F55-L104 HydrophobicContact CE1-CD2 3.63Å; F55-L104 HydrophobicContact CG-CD2 4.29Å; F55-L104 HydrophobicContact CZ-CD2 4.31Å; F55-L104 VanDerWaalsContact CZ-O 3.25Å; F55-L104 WeakPolarHBondContact CZ-O 3.2Å; F57-L104 HydrophobicContact CE1-CD1 4.06Å; F57-L104 HydrophobicContact CZ-CD1 3.77Å; F57-L104 HydrophobicContact CZ-CD2 4.01Å; L82-L104 HydrophobicContact CD2-CD2 4.08Å; L100-L104 HydrophobicContact CD1-CD1 4.16Å; L100-L104 HydrophobicContact CD1-CG 4.13Å; L100-L104 HydrophobicContact CG-CD1 3.95Å; L100-L104 HydrophobicContact CG-CG 4.37Å; L100-L104 VanDerWaalsContact O-CG 3.25Å; L100-L104 WeakPolarHBondContact O-CG 3.43Å; L100-L104 PolarHBondContact O-N 2.82Å; R101-L104 PolarHBondContact O-N 2.78Å; L104-S108 WeakPolarHBondContact O-CB 3.34Å; L104-S108 PolarHBondContact O-N 2.81Å; L104-S108 PolarHBondContact O-OG 2.75Å
105	N	82.2	Confident	85.3	Confident	59 Å²	59	50.1 Å²	50.1	32%	0.316	26%	0.257	S	S	.	.	H	α-helix	trans	-66	-40.2	174.8	-81.8	-39.2	0	0	0	112.2	F50 R53 R101 H102 I103 S108 L109	F50-N105 WeakPolarHBondContact CZ-OD1 3.5Å; R53-N105 PolarHBondContact NH1-OD1 2.06Å; R53-N105 VanDerWaalsContact NH1-OD1 3.14Å; R101-N105 WeakPolarHBondContact O-CB 3.31Å; R101-N105 PolarHBondContact O-N 3.47Å; R101-N105 PolarHBondContact O-ND2 2.77Å; H102-N105 PolarHBondContact O-N 3.14Å; I103-N105 VanDerWaalsContact C-N 3.32Å; I103-N105 PolarHBondContact O-N 2.86Å; N105-S108 WeakPolarHBondContact O-CB 3.25Å; N105-S108 PolarHBondContact O-N 2.88Å; N105-L109 WeakPolarHBondContact O-CG 3.21Å; N105-L109 PolarHBondContact O-N 2.86Å
106	E	78.1	Confident	85.5	Confident	81 Å²	81	47.6 Å²	47.6	38%	0.379	24%	0.239	S	C	.	.	H	α-helix	trans	-63.6	-43.7	177.4	-177.5	161.2	-140	0	0	112	H102 I103 S108 L109 K117	H102-E106 PolarHBondContact O-N 3Å; I103-E106 PolarHBondContact O-N 3.16Å; E106-S108 VanDerWaalsContact C-N 3.27Å; E106-S108 PolarHBondContact O-N 2.84Å; E106-L109 WeakPolarHBondContact O-CB 3.43Å; E106-L109 VanDerWaalsContact O-CG 3.31Å; E106-L109 WeakPolarHBondContact O-CG 3.35Å; E106-L109 PolarHBondContact O-N 2.71Å; E106-K117 IonicContact OE1-NZ 2.96Å; E106-K117 PolarHBondContact OE1-NZ 3.34Å
107	F	82.7	Confident	85.4	Confident	74 Å²	74	47.9 Å²	47.9	33%	0.325	24%	0.237	S	C	.	.	H	α-helix	trans	-76.4	-11	174.5	-74.5	-62.4	0	0	0	113.9	I23 F55 L82 I89 E90 I103 L109	I23-F107 HydrophobicContact CD1-CB 3.66Å; I23-F107 HydrophobicContact CD1-CD1 4.19Å; I23-F107 HydrophobicContact CD1-CG 4.09Å; F55-F107 HydrophobicContact CE1-CB 4.04Å; F55-F107 HydrophobicContact CZ-CB 3.8Å; L82-F107 HydrophobicContact CD2-CD2 3.84Å; L82-F107 HydrophobicContact CD2-CE2 4.22Å; I89-F107 HydrophobicContact CB-CZ 4.22Å; I89-F107 HydrophobicContact CD1-CD1 3.98Å; I89-F107 HydrophobicContact CD1-CD2 4.21Å; I89-F107 HydrophobicContact CD1-CE1 3.57Å; I89-F107 HydrophobicContact CD1-CE2 3.8Å; I89-F107 HydrophobicContact CD1-CG 4.31Å; I89-F107 HydrophobicContact CD1-CZ 3.48Å; I89-F107 VanDerWaalsContact CD1-CZ 3.48Å; I89-F107 HydrophobicContact CG1-CE1 4.38Å; I89-F107 HydrophobicContact CG1-CE2 4.13Å; I89-F107 HydrophobicContact CG1-CZ 3.84Å; E90-F107 HydrophobicContact CB-CE2 4.45Å; E90-F107 HydrophobicContact CG-CE2 3.89Å; E90-F107 HydrophobicContact CG-CZ 4.32Å; I103-F107 HydrophobicContact CG2-CD2 3.51Å; I103-F107 HydrophobicContact CG2-CE2 3.55Å; I103-F107 VanDerWaalsContact O-CD2 3.28Å; I103-F107 WeakPolarHBondContact O-CD2 3.33Å; I103-F107 PolarHBondContact O-N 2.82Å; F107-L109 VanDerWaalsContact C-N 3.27Å
108	S	80.6	Confident	85.1	Confident	14 Å²	14	53.3 Å²	53.3	10%	0.098	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-13.7	170.5	-60.4	0	0	0	0	112.4	F50 R53 F55 L104 N105 E106 D110 Q201	F50-S108 WeakPolarHBondContact CE1-OG 3.46Å; R53-S108 WeakPolarHBondContact CD-OG 3.3Å; R53-S108 PolarHBondContact NH1-OG 2.79Å; F55-S108 WeakPolarHBondContact CE2-OG 3.31Å; L104-S108 WeakPolarHBondContact O-CB 3.34Å; L104-S108 PolarHBondContact O-N 2.81Å; L104-S108 PolarHBondContact O-OG 2.75Å; N105-S108 WeakPolarHBondContact O-CB 3.25Å; N105-S108 PolarHBondContact O-N 2.88Å; E106-S108 VanDerWaalsContact C-N 3.27Å; E106-S108 PolarHBondContact O-N 2.84Å; S108-D110 PolarHBondContact O-N 3.3Å; S108-Q201 PolarHBondContact O-NE2 2.9Å
109	L	83.7	Confident	85.2	Confident	18 Å²	18	51.9 Å²	51.9	9%	0.094	25%	0.245	C	C	.	.	S	Bend	trans	-66.4	134.1	-173.1	-64.5	178.8	0	0	0	110.5	N105 E106 F107 I113 I114 K117 Q201	N105-L109 WeakPolarHBondContact O-CG 3.21Å; N105-L109 PolarHBondContact O-N 2.86Å; E106-L109 WeakPolarHBondContact O-CB 3.43Å; E106-L109 VanDerWaalsContact O-CG 3.31Å; E106-L109 WeakPolarHBondContact O-CG 3.35Å; E106-L109 PolarHBondContact O-N 2.71Å; F107-L109 VanDerWaalsContact C-N 3.27Å; L109-I113 HydrophobicContact CB-CG2 4.44Å; L109-I113 HydrophobicContact CD1-CG2 4.34Å; L109-I113 HydrophobicContact CD2-CG2 3.97Å; L109-I113 HydrophobicContact CG-CG2 4.47Å; L109-I114 HydrophobicContact CB-CD1 4.3Å; L109-I114 HydrophobicContact CB-CG1 3.8Å; L109-K117 HydrophobicContact CD1-CD 4.43Å; L109-Q201 HydrophobicContact CD2-CB 4.04Å; L109-Q201 HydrophobicContact CD2-CG 4.24Å
110	D	86.3	Confident	85	Confident	24 Å²	24	56.2 Å²	56.2	13%	0.128	27%	0.267	C	S	.	.			trans	-60.8	145	170.2	-168.2	77.8	0	0	0	110.2	S108 S112 I113 I114 S174 R194 L198	S108-D110 PolarHBondContact O-N 3.3Å; D110-S112 PolarHBondContact O-N 2.88Å; D110-S112 VanDerWaalsContact O-N 3.11Å; D110-S112 VanDerWaalsContact OD2-CB 3.24Å; D110-S112 WeakPolarHBondContact OD2-CB 3.22Å; D110-S112 PolarHBondContact OD2-N 2.84Å; D110-S112 PolarHBondContact OD2-OG 3.27Å; D110-I113 HydrophobicContact CB-CG1 4.2Å; D110-I113 WeakPolarHBondContact O-CA 3.38Å; D110-I113 WeakPolarHBondContact O-CB 3.39Å; D110-I113 PolarHBondContact O-N 3.34Å; D110-I114 PolarHBondContact O-N 3.38Å; D110-S174 PolarHBondContact OD2-OG 3.19Å; D110-R194 IonicContact OD1-CZ 3.91Å; D110-R194 IonicContact OD1-NH2 3.96Å; D110-R194 PolarHBondContact OD1-NH2 3.13Å; D110-L198 HydrophobicContact CB-CD2 3.6Å
111	N	84.5	Confident	84.7	Confident	121 Å²	121	59.1 Å²	59.1	65%	0.647	28%	0.283	S	S	*	.	H	α-helix	trans	-54.3	-34.7	179	-80.3	-27.9	0	0	0	112.3	I113 I114 Q115	N111-I113 PolarHBondContact O-N 3.16Å; N111-I114 PolarHBondContact O-N 2.85Å; N111-Q115 WeakPolarHBondContact O-CG 3.49Å; N111-Q115 PolarHBondContact O-N 3.4Å
112	S	91.2	Very high	84.2	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-60.8	-42.2	174.5	64.5	0	0	0	0	112.6	D110 Q115 L116 G167 F171	D110-S112 PolarHBondContact O-N 2.88Å; D110-S112 VanDerWaalsContact O-N 3.11Å; D110-S112 VanDerWaalsContact OD2-CB 3.24Å; D110-S112 WeakPolarHBondContact OD2-CB 3.22Å; D110-S112 PolarHBondContact OD2-N 2.84Å; D110-S112 PolarHBondContact OD2-OG 3.27Å; S112-Q115 PolarHBondContact O-N 3.46Å; S112-L116 WeakPolarHBondContact O-CG 3.46Å; S112-L116 PolarHBondContact O-N 3.06Å; S112-L116 VanDerWaalsContact O-N 3.08Å; S112-G167 WeakPolarHBondContact CB-O 3.24Å; S112-G167 WeakPolarHBondContact O-CA 3.34Å; S112-F171 VanDerWaalsContact CB-CA 3.44Å
113	I	90	Very high	84.2	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-69.8	-37.7	177.2	-59.7	-63	0	0	0	111.3	L109 D110 N111 L116 K117 F171 Q201 L202 C205	L109-I113 HydrophobicContact CB-CG2 4.44Å; L109-I113 HydrophobicContact CD1-CG2 4.34Å; L109-I113 HydrophobicContact CD2-CG2 3.97Å; L109-I113 HydrophobicContact CG-CG2 4.47Å; D110-I113 HydrophobicContact CB-CG1 4.2Å; D110-I113 WeakPolarHBondContact O-CA 3.38Å; D110-I113 WeakPolarHBondContact O-CB 3.39Å; D110-I113 PolarHBondContact O-N 3.34Å; N111-I113 PolarHBondContact O-N 3.16Å; I113-L116 HydrophobicContact CD1-CD1 4.18Å; I113-L116 PolarHBondContact O-N 2.87Å; I113-K117 WeakPolarHBondContact O-CB 3.32Å; I113-K117 PolarHBondContact O-N 3.48Å; I113-F171 HydrophobicContact CD1-CD2 3.63Å; I113-F171 HydrophobicContact CD1-CE2 3.66Å; I113-F171 HydrophobicContact CG1-CD2 4.38Å; I113-Q201 HydrophobicContact CG1-CB 4.2Å; I113-L202 HydrophobicContact CD1-CB 3.99Å; I113-L202 HydrophobicContact CD1-CD1 3.61Å; I113-L202 HydrophobicContact CD1-CG 4.44Å; I113-C205 HydrophobicContact CG2-CB 3.98Å; I113-C205 WeakPolarHBondContact CG2-SG 3.33Å
114	I	84.4	Confident	84.3	Confident	58 Å²	58	64.5 Å²	64.5	30%	0.297	31%	0.309	S	S	.	.	H	α-helix	trans	-61.4	-46.6	175.2	-64.7	171.9	0	0	0	110.1	L109 D110 N111 L116 K117 L118	L109-I114 HydrophobicContact CB-CD1 4.3Å; L109-I114 HydrophobicContact CB-CG1 3.8Å; D110-I114 PolarHBondContact O-N 3.38Å; N111-I114 PolarHBondContact O-N 2.85Å; I114-L116 PolarHBondContact O-N 2.82Å; I114-K117 WeakPolarHBondContact O-CB 3.28Å; I114-K117 PolarHBondContact O-N 3.33Å; I114-L118 HydrophobicContact CG2-CD1 3.85Å; I114-L118 HydrophobicContact CG2-CG 4.31Å; I114-L118 WeakPolarHBondContact O-CB 3.36Å; I114-L118 VanDerWaalsContact O-CG 3.29Å; I114-L118 WeakPolarHBondContact O-CG 3.4Å; I114-L118 PolarHBondContact O-N 2.76Å
115	Q	86.9	Confident	84.2	Confident	70 Å²	70	67.6 Å²	67.6	33%	0.327	32%	0.321	S	S	.	.	H	α-helix	trans	-60.3	-44	176.6	-73.4	-172.6	37	0	0	112.2	N111 S112 K117 L118 N119 D170	N111-Q115 WeakPolarHBondContact O-CG 3.49Å; N111-Q115 PolarHBondContact O-N 3.4Å; S112-Q115 PolarHBondContact O-N 3.46Å; Q115-K117 VanDerWaalsContact C-N 3.34Å; Q115-K117 PolarHBondContact O-N 2.96Å; Q115-L118 PolarHBondContact O-N 2.97Å; Q115-N119 PolarHBondContact O-N 2.67Å; Q115-N119 VanDerWaalsContact O-N 3.15Å; Q115-D170 PolarHBondContact NE2-OD2 2.75Å; Q115-D170 PolarHBondContact OE1-OD2 2.89Å
116	L	89.9	Confident	84.3	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-58.5	-45.4	174.1	-71.9	169	0	0	0	111.7	S112 I113 I114 L118 N119 R125 A128 L132 V165 L202	S112-L116 WeakPolarHBondContact O-CG 3.46Å; S112-L116 PolarHBondContact O-N 3.06Å; S112-L116 VanDerWaalsContact O-N 3.08Å; I113-L116 HydrophobicContact CD1-CD1 4.18Å; I113-L116 PolarHBondContact O-N 2.87Å; I114-L116 PolarHBondContact O-N 2.82Å; L116-L118 VanDerWaalsContact C-N 3.31Å; L116-L118 PolarHBondContact O-N 2.75Å; L116-N119 PolarHBondContact O-N 2.84Å; L116-R125 WeakPolarHBondContact O-CD 3.49Å; L116-R125 VanDerWaalsContact O-CG 3.27Å; L116-R125 WeakPolarHBondContact O-CG 3.39Å; L116-A128 HydrophobicContact CD2-CB 3.75Å; L116-L132 HydrophobicContact CD1-CD1 3.54Å; L116-L132 HydrophobicContact CD2-CD1 4.46Å; L116-V165 HydrophobicContact CD2-CG1 4.01Å; L116-L202 HydrophobicContact CD1-CD1 4.08Å
117	K	83.7	Confident	84.7	Confident	84 Å²	84	69.4 Å²	69.4	37%	0.365	33%	0.325	S	S	.	.	H	α-helix	trans	-61.3	-38.9	177.8	-172.5	-178.5	177.3	-172.4	0	111.8	E106 L109 I113 I114 Q115 N119 R125	E106-K117 IonicContact OE1-NZ 2.96Å; E106-K117 PolarHBondContact OE1-NZ 3.34Å; L109-K117 HydrophobicContact CD1-CD 4.43Å; I113-K117 WeakPolarHBondContact O-CB 3.32Å; I113-K117 PolarHBondContact O-N 3.48Å; I114-K117 WeakPolarHBondContact O-CB 3.28Å; I114-K117 PolarHBondContact O-N 3.33Å; Q115-K117 VanDerWaalsContact C-N 3.34Å; Q115-K117 PolarHBondContact O-N 2.96Å; K117-N119 VanDerWaalsContact C-N 3.34Å; K117-R125 PolarHBondContact O-NH1 2.95Å; K117-R125 VanDerWaalsContact O-NH1 3.08Å
118	L	82.8	Confident	85.2	Confident	129 Å²	129	65.9 Å²	65.9	68%	0.675	31%	0.31	S	S	*	.	H	α-helix	trans	-75.6	-14.1	-179.5	-70.8	174.8	0	0	0	114.3	I114 Q115 L116 K120	I114-L118 HydrophobicContact CG2-CD1 3.85Å; I114-L118 HydrophobicContact CG2-CG 4.31Å; I114-L118 WeakPolarHBondContact O-CB 3.36Å; I114-L118 VanDerWaalsContact O-CG 3.29Å; I114-L118 WeakPolarHBondContact O-CG 3.4Å; I114-L118 PolarHBondContact O-N 2.76Å; Q115-L118 PolarHBondContact O-N 2.97Å; L116-L118 VanDerWaalsContact C-N 3.31Å; L116-L118 PolarHBondContact O-N 2.75Å; L118-K120 PolarHBondContact O-N 2.96Å; L118-K120 VanDerWaalsContact O-N 3.07Å
119	N	83.5	Confident	85.7	Confident	22 Å²	22	65.3 Å²	65.3	12%	0.118	31%	0.306	C	S	.	.			trans	-60.3	117.7	174.8	-171.9	-13.1	0	0	0	110	Q115 L116 K117 N121 E124 R125 V165	Q115-N119 PolarHBondContact O-N 2.67Å; Q115-N119 VanDerWaalsContact O-N 3.15Å; L116-N119 PolarHBondContact O-N 2.84Å; K117-N119 VanDerWaalsContact C-N 3.34Å; N119-N121 VanDerWaalsContact C-N 3.31Å; N119-N121 PolarHBondContact OD1-N 3.3Å; N119-E124 PolarHBondContact ND2-OE2 2.93Å; N119-E124 VanDerWaalsContact ND2-OE2 3.1Å; N119-R125 HydrophobicContact CB-CB 4.3Å; N119-V165 WeakPolarHBondContact ND2-CG1 3.48Å
120	K	80.8	Confident	85.9	Confident	208 Å²	208	65.8 Å²	65.8	90%	0.904	32%	0.315	S	S	*	.	S	Bend	trans	-71.2	-25.4	-178.5	-65.2	-177.7	-179.3	176.7	0	112.4	L118 H122	L118-K120 PolarHBondContact O-N 2.96Å; L118-K120 VanDerWaalsContact O-N 3.07Å; K120-H122 PolarHBondContact O-N 3Å
121	N	84.4	Confident	86.2	Confident	61 Å²	61	65 Å²	65	33%	0.326	31%	0.311	S	S	.	.			trans	-78.4	106.2	176.5	-172.5	-24	0	0	0	109.8	N119 F123 E124 R125	N119-N121 VanDerWaalsContact C-N 3.31Å; N119-N121 PolarHBondContact OD1-N 3.3Å; N121-F123 VanDerWaalsContact C-N 3.31Å; N121-F123 PolarHBondContact O-N 2.86Å; N121-F123 PolarHBondContact OD1-N 2.92Å; N121-F123 VanDerWaalsContact OD1-N 3.08Å; N121-E124 HydrophobicContact CB-CB 4Å; N121-E124 HydrophobicContact CB-CG 4.1Å; N121-E124 WeakPolarHBondContact CB-OE2 3.25Å; N121-E124 PolarHBondContact ND2-OE1 3.41Å; N121-E124 PolarHBondContact OD1-N 3.07Å; N121-R125 VanDerWaalsContact O-CB 3.25Å; N121-R125 WeakPolarHBondContact O-CB 3.45Å; N121-R125 PolarHBondContact O-N 3.07Å
122	H	78.9	Confident	86.8	Confident	91 Å²	91	59.2 Å²	59.2	42%	0.421	28%	0.28	S	S	.	.	H	α-helix	trans	-58.5	-40	-178.1	-179.5	-85.9	0	0	0	113.1	K120 L126	K120-H122 PolarHBondContact O-N 3Å; H122-L126 WeakPolarHBondContact O-CB 3.43Å; H122-L126 PolarHBondContact O-N 3.15Å
123	F	79.8	Confident	86.8	Confident	167 Å²	167	61.6 Å²	61.6	73%	0.732	29%	0.291	S	S	*	.	H	α-helix	trans	-70.9	-47.7	-177	-73	-78.8	0	0	0	111.7	N121 R125 L126 R127	N121-F123 VanDerWaalsContact C-N 3.31Å; N121-F123 PolarHBondContact O-N 2.86Å; N121-F123 PolarHBondContact OD1-N 2.92Å; N121-F123 VanDerWaalsContact OD1-N 3.08Å; F123-R125 VanDerWaalsContact C-N 3.32Å; F123-R125 PolarHBondContact O-N 2.83Å; F123-L126 PolarHBondContact O-N 3.03Å; F123-R127 WeakPolarHBondContact O-CB 3.13Å; F123-R127 PolarHBondContact O-N 3.3Å
124	E	86.9	Confident	86.9	Confident	73 Å²	73	66.9 Å²	66.9	34%	0.341	31%	0.314	S	S	.	.	H	α-helix	trans	-57.4	-47.1	174	-77	170.5	-155.7	0	0	111.2	N119 N121 L126 R127 A128 V165	N119-E124 PolarHBondContact ND2-OE2 2.93Å; N119-E124 VanDerWaalsContact ND2-OE2 3.1Å; N121-E124 HydrophobicContact CB-CB 4Å; N121-E124 HydrophobicContact CB-CG 4.1Å; N121-E124 WeakPolarHBondContact CB-OE2 3.25Å; N121-E124 PolarHBondContact ND2-OE1 3.41Å; N121-E124 PolarHBondContact OD1-N 3.07Å; E124-L126 PolarHBondContact O-N 3.25Å; E124-R127 PolarHBondContact O-N 3.28Å; E124-A128 VanDerWaalsContact O-CB 3.3Å; E124-A128 WeakPolarHBondContact O-CB 3.47Å; E124-A128 PolarHBondContact O-N 2.94Å; E124-V165 HydrophobicContact CB-CG2 3.88Å; E124-V165 HydrophobicContact CG-CG2 4.32Å
125	R	87.1	Confident	87.4	Confident	65 Å²	65	65.3 Å²	65.3	25%	0.245	31%	0.306	C	S	.	.	H	α-helix	trans	-59	-47.1	178.1	-176.9	173.8	69.2	-172.2	-0.2	111.9	L116 K117 N119 N121 F123 A128 Y129	L116-R125 WeakPolarHBondContact O-CD 3.49Å; L116-R125 VanDerWaalsContact O-CG 3.27Å; L116-R125 WeakPolarHBondContact O-CG 3.39Å; K117-R125 PolarHBondContact O-NH1 2.95Å; K117-R125 VanDerWaalsContact O-NH1 3.08Å; N119-R125 HydrophobicContact CB-CB 4.3Å; N121-R125 VanDerWaalsContact O-CB 3.25Å; N121-R125 WeakPolarHBondContact O-CB 3.45Å; N121-R125 PolarHBondContact O-N 3.07Å; F123-R125 VanDerWaalsContact C-N 3.32Å; F123-R125 PolarHBondContact O-N 2.83Å; R125-A128 PolarHBondContact O-N 3.03Å; R125-Y129 HydrophobicContact CG-CD2 3.8Å; R125-Y129 HydrophobicContact CG-CE2 3.47Å; R125-Y129 VanDerWaalsContact CG-CE2 3.47Å; R125-Y129 WeakPolarHBondContact O-CD2 3.06Å; R125-Y129 PolarHBondContact O-N 3.22Å
126	L	83.6	Confident	87.7	Confident	78 Å²	78	62 Å²	62	41%	0.408	29%	0.291	S	S	.	.	H	α-helix	trans	-66.1	-39.9	179.1	-171.5	66.1	0	0	0	111.8	H122 F123 E124 Y129 G130 P207	H122-L126 WeakPolarHBondContact O-CB 3.43Å; H122-L126 PolarHBondContact O-N 3.15Å; F123-L126 PolarHBondContact O-N 3.03Å; E124-L126 PolarHBondContact O-N 3.25Å; L126-Y129 PolarHBondContact O-N 3.36Å; L126-G130 PolarHBondContact O-N 3.12Å; L126-P207 HydrophobicContact CD1-CG 4.08Å
127	R	86.9	Confident	87.7	Confident	101 Å²	101	65.6 Å²	65.6	38%	0.381	31%	0.31	S	S	.	.	H	α-helix	trans	-61.8	-46.1	175.1	-166.4	178	-178.1	-178.4	-1.7	110.8	F123 E124 G130 C131 E160 T161	F123-R127 WeakPolarHBondContact O-CB 3.13Å; F123-R127 PolarHBondContact O-N 3.3Å; E124-R127 PolarHBondContact O-N 3.28Å; R127-G130 PolarHBondContact O-N 2.84Å; R127-C131 PolarHBondContact O-N 2.84Å; R127-C131 PolarHBondContact O-SG 3.06Å; R127-C131 VanDerWaalsContact O-SG 3.37Å; R127-E160 IonicContact CZ-OE2 2.71Å; R127-E160 VanDerWaalsContact CZ-OE2 3.22Å; R127-E160 IonicContact NH1-OE2 3.7Å; R127-E160 PolarHBondContact NH1-OE2 2.67Å; R127-E160 IonicContact NH2-OE2 2.64Å; R127-E160 PolarHBondContact NH2-OE2 3.16Å; R127-T161 HydrophobicContact CB-CG2 4.1Å; R127-T161 WeakPolarHBondContact CD-OG1 3.41Å; R127-T161 HydrophobicContact CG-CG2 3.85Å; R127-T161 PolarHBondContact NE-OG1 3.49Å
128	A	92.6	Very high	88.2	Confident	0 Å²	0	68 Å²	68	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-58.7	-49.9	175.9	0	0	0	0	0	112.5	L116 E124 R125 G130 C131 L132 T161 V165 C168	L116-A128 HydrophobicContact CD2-CB 3.75Å; E124-A128 VanDerWaalsContact O-CB 3.3Å; E124-A128 WeakPolarHBondContact O-CB 3.47Å; E124-A128 PolarHBondContact O-N 2.94Å; R125-A128 PolarHBondContact O-N 3.03Å; A128-G130 VanDerWaalsContact C-N 3.29Å; A128-G130 PolarHBondContact O-N 3.35Å; A128-C131 PolarHBondContact O-N 3.36Å; A128-L132 WeakPolarHBondContact O-CB 3.27Å; A128-L132 WeakPolarHBondContact O-CG 3.43Å; A128-L132 PolarHBondContact O-N 3.17Å; A128-T161 VanDerWaalsContact CA-CG2 3.48Å; A128-T161 HydrophobicContact CB-CG2 3.96Å; A128-V165 HydrophobicContact CB-CB 4.11Å; A128-V165 HydrophobicContact CB-CG1 3.7Å; A128-V165 HydrophobicContact CB-CG2 4.36Å; A128-C168 WeakPolarHBondContact CB-SG 3.24Å
129	Y	91	Very high	88.8	Confident	2 Å²	2	61.8 Å²	61.8	1%	0.008	28%	0.284	C	S	.	.	H	α-helix	trans	-56.3	-44.3	173.5	-81.5	-64.9	0	0	0	111.9	R125 L126 H133 L202 C205 L206	R125-Y129 HydrophobicContact CG-CD2 3.8Å; R125-Y129 HydrophobicContact CG-CE2 3.47Å; R125-Y129 VanDerWaalsContact CG-CE2 3.47Å; R125-Y129 WeakPolarHBondContact O-CD2 3.06Å; R125-Y129 PolarHBondContact O-N 3.22Å; L126-Y129 PolarHBondContact O-N 3.36Å; Y129-H133 WeakPolarHBondContact O-CB 3.37Å; Y129-H133 PolarHBondContact O-N 2.88Å; Y129-L202 HydrophobicContact CD1-CD1 3.39Å; Y129-L202 HydrophobicContact CD1-CG 3.86Å; Y129-L202 HydrophobicContact CE1-CD1 3.69Å; Y129-L202 HydrophobicContact CE1-CG 4.33Å; Y129-C205 HydrophobicContact CE1-CB 3.75Å; Y129-C205 VanDerWaalsContact OH-CB 3.24Å; Y129-C205 WeakPolarHBondContact OH-CB 3.35Å; Y129-L206 VanDerWaalsContact CB-CD2 3.5Å; Y129-L206 HydrophobicContact CD1-CD2 4.34Å; Y129-L206 HydrophobicContact CD1-CG 4.37Å; Y129-L206 HydrophobicContact CG-CD2 3.95Å; Y129-L206 HydrophobicContact CG-CG 4.46Å
130	G	88.6	Confident	89.3	Confident	27 Å²	27	62.7 Å²	62.7	28%	0.278	29%	0.289	S	S	.	.	H	α-helix	trans	-63.5	-45.4	178.7	0	0	0	0	0	113.4	L126 R127 A128 H133 K134	L126-G130 PolarHBondContact O-N 3.12Å; R127-G130 PolarHBondContact O-N 2.84Å; A128-G130 VanDerWaalsContact C-N 3.29Å; A128-G130 PolarHBondContact O-N 3.35Å; G130-H133 PolarHBondContact O-N 2.83Å; G130-K134 VanDerWaalsContact O-CG 3.31Å; G130-K134 WeakPolarHBondContact O-CG 3.45Å; G130-K134 PolarHBondContact O-N 2.91Å
131	C	93	Very high	89.7	Confident	7 Å²	7	56.1 Å²	56.1	5%	0.047	27%	0.269	C	S	.	.	H	α-helix	trans	-62.2	-50.9	177.3	-70.7	0	0	0	0	111.2	R127 A128 H133 K134 I135 L162	R127-C131 PolarHBondContact O-N 2.84Å; R127-C131 PolarHBondContact O-SG 3.06Å; R127-C131 VanDerWaalsContact O-SG 3.37Å; A128-C131 PolarHBondContact O-N 3.36Å; C131-H133 VanDerWaalsContact C-N 3.35Å; C131-H133 PolarHBondContact O-N 2.86Å; C131-K134 PolarHBondContact O-N 3.22Å; C131-I135 WeakPolarHBondContact O-CG1 3.43Å; C131-I135 PolarHBondContact O-N 2.84Å; C131-I135 VanDerWaalsContact O-N 3.1Å; C131-L162 HydrophobicContact CB-CD2 4.04Å
132	L	95.7	Very high	90.1	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-63	-40.3	178.8	-67.1	176.7	0	0	0	112	L116 A128 K134 I135 C136 L162 F171 L172 L202	L116-L132 HydrophobicContact CD1-CD1 3.54Å; L116-L132 HydrophobicContact CD2-CD1 4.46Å; A128-L132 WeakPolarHBondContact O-CB 3.27Å; A128-L132 WeakPolarHBondContact O-CG 3.43Å; A128-L132 PolarHBondContact O-N 3.17Å; L132-K134 PolarHBondContact O-N 2.83Å; L132-I135 PolarHBondContact O-N 2.79Å; L132-C136 PolarHBondContact O-N 3.4Å; L132-C136 PolarHBondContact O-SG 2.8Å; L132-C136 VanDerWaalsContact O-SG 3.41Å; L132-L162 HydrophobicContact CD2-CD2 3.66Å; L132-L162 HydrophobicContact CG-CD2 4.14Å; L132-F171 HydrophobicContact CB-CE1 4.36Å; L132-F171 HydrophobicContact CD1-CB 4.07Å; L132-F171 HydrophobicContact CD1-CD1 4.01Å; L132-F171 HydrophobicContact CD1-CD2 4.3Å; L132-F171 HydrophobicContact CD1-CG 3.86Å; L132-F171 HydrophobicContact CD2-CB 4.47Å; L132-F171 HydrophobicContact CD2-CD1 3.59Å; L132-F171 HydrophobicContact CD2-CE1 4.11Å; L132-F171 HydrophobicContact CD2-CG 4.21Å; L132-F171 HydrophobicContact CG-CD1 4.24Å; L132-L172 HydrophobicContact CD2-CD2 4.15Å; L132-L202 HydrophobicContact CB-CD1 4.18Å; L132-L202 HydrophobicContact CB-CD2 3.68Å; L132-L202 HydrophobicContact CD1-CD1 4.05Å
133	H	92.4	Very high	90.6	Very high	50 Å²	50	55.6 Å²	55.6	23%	0.231	27%	0.269	C	S	.	.	H	α-helix	trans	-60.7	-45.7	176.7	-176.3	-66.2	0	0	0	111.4	Y129 G130 C131 I135 C136 D137 F199 L202	Y129-H133 WeakPolarHBondContact O-CB 3.37Å; Y129-H133 PolarHBondContact O-N 2.88Å; G130-H133 PolarHBondContact O-N 2.83Å; C131-H133 VanDerWaalsContact C-N 3.35Å; C131-H133 PolarHBondContact O-N 2.86Å; H133-I135 VanDerWaalsContact C-N 3.31Å; H133-I135 PolarHBondContact O-N 2.78Å; H133-C136 PolarHBondContact O-N 3.43Å; H133-D137 WeakPolarHBondContact O-CB 3.36Å; H133-D137 PolarHBondContact O-N 2.9Å; H133-F199 HydrophobicContact CB-CE2 4.29Å; H133-F199 AromaticContact CD2-CE2 3.47Å; H133-F199 VanDerWaalsContact CD2-CE2 3.47Å; H133-F199 WeakPolarHBondContact CD2-CE2 3.36Å; H133-F199 AromaticContact CD2-CZ 3.95Å; H133-F199 AromaticContact CE1-CE2 4Å; H133-F199 AromaticContact CE1-CZ 3.75Å; H133-F199 AromaticContact CG-CE2 3.7Å; H133-F199 AromaticContact NE2-CE2 3.68Å; H133-F199 AromaticContact NE2-CZ 3.64Å; H133-L202 HydrophobicContact CB-CD2 4.13Å
134	K	90.8	Very high	91.1	Very high	111 Å²	111	55.4 Å²	55.4	48%	0.483	27%	0.27	S	S	.	.	H	α-helix	trans	-60.9	-39.8	177.2	-73.7	172.3	-176.1	176.6	0	112.1	G130 C131 L132 R138	G130-K134 VanDerWaalsContact O-CG 3.31Å; G130-K134 WeakPolarHBondContact O-CG 3.45Å; G130-K134 PolarHBondContact O-N 2.91Å; C131-K134 PolarHBondContact O-N 3.22Å; L132-K134 PolarHBondContact O-N 2.83Å; K134-R138 WeakPolarHBondContact O-CB 3.48Å; K134-R138 VanDerWaalsContact O-CG 3.25Å; K134-R138 WeakPolarHBondContact O-CG 3.36Å; K134-R138 PolarHBondContact O-N 2.92Å; K134-R138 VanDerWaalsContact O-N 3.16Å
135	I	95	Very high	91.3	Very high	25 Å²	25	56.2 Å²	56.2	13%	0.128	27%	0.274	C	S	.	.	H	α-helix	trans	-64.1	-54.2	177.7	-69.2	162.4	0	0	0	110	C131 L132 H133 D137 R138 I139 I151 L162 F177	C131-I135 WeakPolarHBondContact O-CG1 3.43Å; C131-I135 PolarHBondContact O-N 2.84Å; C131-I135 VanDerWaalsContact O-N 3.1Å; L132-I135 PolarHBondContact O-N 2.79Å; H133-I135 VanDerWaalsContact C-N 3.31Å; H133-I135 PolarHBondContact O-N 2.78Å; I135-D137 PolarHBondContact O-N 2.86Å; I135-R138 PolarHBondContact O-N 2.9Å; I135-I139 HydrophobicContact CG2-CD1 3.69Å; I135-I139 WeakPolarHBondContact O-CG1 3.32Å; I135-I139 PolarHBondContact O-N 3.22Å; I135-I139 VanDerWaalsContact O-N 3.1Å; I135-I151 HydrophobicContact CD1-CD1 3.79Å; I135-I151 HydrophobicContact CD1-CG1 4.43Å; I135-I151 HydrophobicContact CG1-CD1 4.44Å; I135-I151 HydrophobicContact CG2-CD1 4.24Å; I135-L162 HydrophobicContact CD1-CD1 3.88Å; I135-L162 HydrophobicContact CD1-CD2 4.4Å; I135-F177 HydrophobicContact CG2-CE2 4.35Å; I135-F177 HydrophobicContact CG2-CZ 3.91Å
136	C	94.7	Very high	91.5	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.007	29%	0.286	C	S	.	.	H	α-helix	trans	-57.6	-47	178.9	-70.6	0	0	0	0	112.4	L132 H133 R138 I139 L140 F199	L132-C136 PolarHBondContact O-N 3.4Å; L132-C136 PolarHBondContact O-SG 2.8Å; L132-C136 VanDerWaalsContact O-SG 3.41Å; H133-C136 PolarHBondContact O-N 3.43Å; C136-R138 PolarHBondContact O-N 3.21Å; C136-I139 PolarHBondContact O-N 2.81Å; C136-L140 VanDerWaalsContact O-CB 3.27Å; C136-L140 WeakPolarHBondContact O-CB 3.3Å; C136-L140 VanDerWaalsContact O-CG 3.26Å; C136-L140 WeakPolarHBondContact O-CG 3.32Å; C136-L140 PolarHBondContact O-N 2.92Å; C136-F199 HydrophobicContact CB-CB 4.1Å; C136-F199 HydrophobicContact CB-CD1 4.24Å; C136-F199 HydrophobicContact CB-CD2 3.32Å; C136-F199 HydrophobicContact CB-CE1 4.48Å; C136-F199 HydrophobicContact CB-CE2 3.64Å; C136-F199 HydrophobicContact CB-CG 3.65Å; C136-F199 HydrophobicContact CB-CZ 4.21Å
137	D	90.4	Very high	92	Very high	75 Å²	75	60.3 Å²	60.3	40%	0.401	29%	0.294	S	S	.	.	H	α-helix	trans	-62.9	-43.2	-176.8	-170.7	57.6	0	0	0	112.2	H133 I135 S141 F199	H133-D137 WeakPolarHBondContact O-CB 3.36Å; H133-D137 PolarHBondContact O-N 2.9Å; I135-D137 PolarHBondContact O-N 2.86Å; D137-S141 WeakPolarHBondContact O-CB 3.26Å; D137-S141 PolarHBondContact O-N 3.15Å; D137-S141 PolarHBondContact O-OG 3.42Å; D137-F199 HydrophobicContact CB-CZ 3.97Å
138	R	93.5	Very high	92.3	Very high	134 Å²	134	58.1 Å²	58.1	51%	0.506	29%	0.288	S	S	.	.	H	α-helix	trans	-65	-45.9	176.9	-73.8	174.2	-177.4	169	0.3	112.2	K134 I135 C136 H142 F148	K134-R138 WeakPolarHBondContact O-CB 3.48Å; K134-R138 VanDerWaalsContact O-CG 3.25Å; K134-R138 WeakPolarHBondContact O-CG 3.36Å; K134-R138 PolarHBondContact O-N 2.92Å; K134-R138 VanDerWaalsContact O-N 3.16Å; I135-R138 PolarHBondContact O-N 2.9Å; C136-R138 PolarHBondContact O-N 3.21Å; R138-H142 PolarHBondContact O-N 3.44Å; R138-F148 HydrophobicContact CB-CB 4.28Å; R138-F148 HydrophobicContact CB-CD1 4Å; R138-F148 HydrophobicContact CB-CE1 4.48Å; R138-F148 HydrophobicContact CB-CG 4.09Å; R138-F148 HydrophobicContact CG-CD1 4.37Å; R138-F148 HydrophobicContact CG-CE1 4.47Å
139	I	96	Very high	92.4	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-65.5	-45	179.3	-66	167.5	0	0	0	110.6	I135 C136 S141 H142 P143 F148 R149 F177 L186 F190 L195	I135-I139 HydrophobicContact CG2-CD1 3.69Å; I135-I139 WeakPolarHBondContact O-CG1 3.32Å; I135-I139 PolarHBondContact O-N 3.22Å; I135-I139 VanDerWaalsContact O-N 3.1Å; C136-I139 PolarHBondContact O-N 2.81Å; I139-S141 VanDerWaalsContact C-N 3.33Å; I139-S141 PolarHBondContact O-N 2.89Å; I139-H142 CarbonylContact O-C 3.53Å; I139-H142 PolarHBondContact O-N 2.8Å; I139-P143 WeakPolarHBondContact O-CA 3.46Å; I139-P143 WeakPolarHBondContact O-CD 3.25Å; I139-F148 WeakPolarHBondContact CD1-O 3.47Å; I139-F148 HydrophobicContact CG1-CB 4.21Å; I139-F148 WeakPolarHBondContact CG1-O 3.29Å; I139-R149 HydrophobicContact CG1-CG 4.49Å; I139-R149 HydrophobicContact CG2-CG 4.46Å; I139-F177 HydrophobicContact CD1-CE2 4.24Å; I139-F177 HydrophobicContact CD1-CZ 3.62Å; I139-L186 HydrophobicContact CD1-CD2 4Å; I139-L186 HydrophobicContact CG2-CD2 4.02Å; I139-F190 HydrophobicContact CG2-CE2 4.12Å; I139-F190 HydrophobicContact CG2-CZ 3.8Å; I139-L195 HydrophobicContact CB-CD2 4.13Å; I139-L195 HydrophobicContact CG2-CD2 3.56Å
140	L	92.6	Very high	92.6	Very high	40 Å²	40	63 Å²	63	21%	0.209	31%	0.31	C	S	.	.	H	α-helix	trans	-71.1	-29.8	-178.5	-71.2	172.1	0	0	0	112.8	C136 V192 L195 K196 F199	C136-L140 VanDerWaalsContact O-CB 3.27Å; C136-L140 WeakPolarHBondContact O-CB 3.3Å; C136-L140 VanDerWaalsContact O-CG 3.26Å; C136-L140 WeakPolarHBondContact O-CG 3.32Å; C136-L140 PolarHBondContact O-N 2.92Å; L140-V192 HydrophobicContact CD2-CG1 4.23Å; L140-L195 HydrophobicContact CD1-CG 4.48Å; L140-L195 HydrophobicContact CD2-CD2 3.93Å; L140-L195 HydrophobicContact CD2-CG 4.21Å; L140-L195 HydrophobicContact CG-CD2 4Å; L140-L195 HydrophobicContact CG-CG 4.3Å; L140-K196 HydrophobicContact CD1-CG 4.2Å; L140-K196 HydrophobicContact CD2-CG 3.67Å; L140-F199 HydrophobicContact CD1-CB 4.1Å; L140-F199 HydrophobicContact CD1-CD1 3.36Å; L140-F199 HydrophobicContact CD1-CE1 4.01Å; L140-F199 HydrophobicContact CD1-CG 4.01Å
141	S	90.3	Very high	92.9	Very high	70 Å²	70	62.4 Å²	62.4	49%	0.49	30%	0.3	S	S	.	.	H	α-helix	trans	-75.7	-29.7	173.6	-63.6	0	0	0	0	112.4	D137 I139	D137-S141 WeakPolarHBondContact O-CB 3.26Å; D137-S141 PolarHBondContact O-N 3.15Å; D137-S141 PolarHBondContact O-OG 3.42Å; I139-S141 VanDerWaalsContact C-N 3.33Å; I139-S141 PolarHBondContact O-N 2.89Å
142	H	91.8	Very high	92.9	Very high	96 Å²	96	64.3 Å²	64.3	44%	0.444	31%	0.314	S	S	.	.	S	Bend	trans	-137.5	65.4	-176.9	-54	90.3	0	0	0	111.7	R138 I139 Q144 E145 F148	R138-H142 PolarHBondContact O-N 3.44Å; I139-H142 CarbonylContact O-C 3.53Å; I139-H142 PolarHBondContact O-N 2.8Å; H142-Q144 PolarHBondContact O-N 2.94Å; H142-Q144 VanDerWaalsContact O-N 3.15Å; H142-E145 HydrophobicContact CB-CB 3.97Å; H142-E145 HydrophobicContact CB-CG 3.85Å; H142-E145 PolarHBondContact O-N 2.73Å; H142-E145 VanDerWaalsContact O-N 3.12Å; H142-F148 HydrophobicContact CB-CD2 3.65Å; H142-F148 HydrophobicContact CB-CE2 3.68Å; H142-F148 AromaticContact CG-CE2 3.73Å; H142-F148 AromaticContact ND1-CE2 3.8Å
143	P	89.4	Confident	92.8	Very high	46 Å²	46	66.1 Å²	66.1	30%	0.299	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-24.3	-168.9	23.8	-34.1	0	0	0	114	I139 R149 F190	I139-P143 WeakPolarHBondContact O-CA 3.46Å; I139-P143 WeakPolarHBondContact O-CD 3.25Å; P143-R149 PolarHBondContact O-NH1 3.32Å; P143-F190 HydrophobicContact CB-CZ 4.3Å
144	Q	89.9	Confident	92.7	Very high	162 Å²	162	68.6 Å²	68.6	76%	0.757	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-18	-179.8	-57.3	-58	-20.2	0	0	113.1	H142 D146 R149	H142-Q144 PolarHBondContact O-N 2.94Å; H142-Q144 VanDerWaalsContact O-N 3.15Å; Q144-D146 PolarHBondContact O-N 2.96Å; Q144-R149 PolarHBondContact O-NH1 3.41Å; Q144-R149 VanDerWaalsContact O-NH1 3.08Å
145	E	92	Very high	92.8	Very high	91 Å²	91	65.2 Å²	65.2	43%	0.425	33%	0.328	S	S	.	.			trans	-78.4	109.5	-177.2	-73.5	-72.1	160.7	0	0	111.5	H142 K147 F148	H142-E145 HydrophobicContact CB-CB 3.97Å; H142-E145 HydrophobicContact CB-CG 3.85Å; H142-E145 PolarHBondContact O-N 2.73Å; H142-E145 VanDerWaalsContact O-N 3.12Å; E145-K147 VanDerWaalsContact C-N 3.31Å; E145-K147 PolarHBondContact O-N 2.88Å; E145-K147 IonicContact OE2-NZ 3.18Å; E145-F148 HydrophobicContact CB-CD2 3.59Å; E145-F148 HydrophobicContact CB-CE2 4Å; E145-F148 HydrophobicContact CG-CD2 4.35Å; E145-F148 HydrophobicContact CG-CE2 4.29Å; E145-F148 PolarHBondContact O-N 2.99Å
146	D	91.2	Very high	92.5	Very high	94 Å²	94	66.6 Å²	66.6	50%	0.503	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-61.7	-36.5	-174.6	-167	57.9	0	0	0	113.7	Q144 F148 R149	Q144-D146 PolarHBondContact O-N 2.96Å; D146-F148 PolarHBondContact O-N 3.13Å; D146-R149 WeakPolarHBondContact O-CB 3.22Å; D146-R149 PolarHBondContact O-N 3.02Å; D146-R149 IonicContact OD1-CZ 2.89Å; D146-R149 IonicContact OD1-NE 3.97Å; D146-R149 IonicContact OD1-NH2 2.68Å; D146-R149 PolarHBondContact OD1-NH2 2.83Å
147	K	93.6	Very high	92.3	Very high	135 Å²	135	70 Å²	70	59%	0.587	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-56.2	-28.3	179.2	69.3	-173.4	177.2	-168.6	0	114.3	E145	E145-K147 VanDerWaalsContact C-N 3.31Å; E145-K147 PolarHBondContact O-N 2.88Å; E145-K147 IonicContact OE2-NZ 3.18Å
148	F	93.7	Very high	92.5	Very high	54 Å²	54	66.8 Å²	66.8	24%	0.237	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-87.5	-16.4	179.5	-61.3	-51	0	0	0	112.8	R138 I139 H142 E145 D146	R138-F148 HydrophobicContact CB-CB 4.28Å; R138-F148 HydrophobicContact CB-CD1 4Å; R138-F148 HydrophobicContact CB-CE1 4.48Å; R138-F148 HydrophobicContact CB-CG 4.09Å; R138-F148 HydrophobicContact CG-CD1 4.37Å; R138-F148 HydrophobicContact CG-CE1 4.47Å; I139-F148 WeakPolarHBondContact CD1-O 3.47Å; I139-F148 HydrophobicContact CG1-CB 4.21Å; I139-F148 WeakPolarHBondContact CG1-O 3.29Å; H142-F148 HydrophobicContact CB-CD2 3.65Å; H142-F148 HydrophobicContact CB-CE2 3.68Å; H142-F148 AromaticContact CG-CE2 3.73Å; H142-F148 AromaticContact ND1-CE2 3.8Å; E145-F148 HydrophobicContact CB-CD2 3.59Å; E145-F148 HydrophobicContact CB-CE2 4Å; E145-F148 HydrophobicContact CG-CD2 4.35Å; E145-F148 HydrophobicContact CG-CE2 4.29Å; E145-F148 PolarHBondContact O-N 2.99Å; D146-F148 PolarHBondContact O-N 3.13Å
149	R	95.4	Very high	92.4	Very high	13 Å²	13	65.1 Å²	65.1	5%	0.049	34%	0.34	C	S	.	.	S	Bend	trans	-87.1	7.2	175.2	-65.5	-164.1	-51.7	-90.9	-6.6	112.7	I139 P143 Q144 D146 V185 L186	I139-R149 HydrophobicContact CG1-CG 4.49Å; I139-R149 HydrophobicContact CG2-CG 4.46Å; P143-R149 PolarHBondContact O-NH1 3.32Å; Q144-R149 PolarHBondContact O-NH1 3.41Å; Q144-R149 VanDerWaalsContact O-NH1 3.08Å; D146-R149 WeakPolarHBondContact O-CB 3.22Å; D146-R149 PolarHBondContact O-N 3.02Å; D146-R149 IonicContact OD1-CZ 2.89Å; D146-R149 IonicContact OD1-NE 3.97Å; D146-R149 IonicContact OD1-NH2 2.68Å; D146-R149 PolarHBondContact OD1-NH2 2.83Å; R149-V185 CarbonylContact O-C 3.55Å; R149-V185 WeakPolarHBondContact O-CA 3.33Å; R149-L186 HydrophobicContact CB-CB 3.96Å; R149-L186 WeakPolarHBondContact CD-O 3.39Å; R149-L186 HydrophobicContact CG-CB 4.31Å; R149-L186 HydrophobicContact CG-CD2 4.41Å; R149-L186 PolarHBondContact NE-O 2.9Å; R149-L186 PolarHBondContact O-N 2.9Å
150	H	94.6	Very high	92.3	Very high	91 Å²	91	69.9 Å²	69.9	42%	0.421	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	125.5	-176.2	-161.6	-84.1	0	0	0	110.7	A183 V185	H150-A183 WeakPolarHBondContact CE1-CB 3.41Å; H150-A183 VanDerWaalsContact NE2-CB 3.31Å; H150-A183 WeakPolarHBondContact NE2-CB 3.22Å; H150-V185 VanDerWaalsContact CD2-CG2 3.49Å; H150-V185 WeakPolarHBondContact CD2-CG2 3.18Å
151	I	94.7	Very high	92.3	Very high	15 Å²	15	68 Å²	68	8%	0.077	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	113.7	177.5	-57.3	168.8	0	0	0	107.8	I135 F158 L162 L172 F177 A183 F184	I135-I151 HydrophobicContact CD1-CD1 3.79Å; I135-I151 HydrophobicContact CD1-CG1 4.43Å; I135-I151 HydrophobicContact CG1-CD1 4.44Å; I135-I151 HydrophobicContact CG2-CD1 4.24Å; I151-F158 HydrophobicContact CG2-CB 4.41Å; I151-F158 HydrophobicContact CG2-CD2 3.9Å; I151-L162 HydrophobicContact CG2-CD1 4.04Å; I151-L172 HydrophobicContact CD1-CD1 4.18Å; I151-L172 HydrophobicContact CD1-CD2 3.67Å; I151-F177 HydrophobicContact CD1-CD1 4.03Å; I151-F177 HydrophobicContact CD1-CE1 3.51Å; I151-F177 HydrophobicContact CD1-CZ 3.77Å; I151-F177 HydrophobicContact CG1-CE1 3.89Å; I151-F177 HydrophobicContact CG1-CZ 4.41Å; I151-A183 CarbonylContact O-C 3.59Å; I151-A183 VanDerWaalsContact O-CA 3.25Å; I151-A183 WeakPolarHBondContact O-CA 3.31Å; I151-A183 WeakPolarHBondContact O-CB 3.26Å; I151-F184 HydrophobicContact CB-CB 4.21Å; I151-F184 PolarHBondContact N-O 2.77Å; I151-F184 PolarHBondContact O-N 3.41Å
152	S	93.8	Very high	92.6	Very high	48 Å²	48	64.8 Å²	64.8	34%	0.336	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	133.8	177.3	171.4	0	0	0	0	111.1	D154 S155 F158	S152-D154 PolarHBondContact O-N 3.22Å; S152-D154 PolarHBondContact OG-N 3.47Å; S152-S155 WeakPolarHBondContact O-CB 3.33Å; S152-S155 PolarHBondContact O-N 3.31Å; S152-S155 PolarHBondContact O-OG 3.45Å; S152-F158 WeakPolarHBondContact O-CB 3.24Å
153	L	92.8	Very high	92.7	Very high	37 Å²	37	65 Å²	65	19%	0.194	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-25.3	176	-58.2	-179.1	0	0	0	112.5	S155 F158 M159 N182 F184	L153-S155 VanDerWaalsContact C-N 3.27Å; L153-S155 PolarHBondContact O-N 2.81Å; L153-F158 HydrophobicContact CB-CD1 4.24Å; L153-F158 HydrophobicContact CB-CE1 4.23Å; L153-F158 HydrophobicContact CD2-CD1 4Å; L153-F158 HydrophobicContact CD2-CD2 4.31Å; L153-F158 HydrophobicContact CD2-CE1 3.4Å; L153-F158 VanDerWaalsContact CD2-CE1 3.4Å; L153-F158 HydrophobicContact CD2-CE2 3.77Å; L153-F158 HydrophobicContact CD2-CG 4.43Å; L153-F158 HydrophobicContact CD2-CZ 3.28Å; L153-F158 HydrophobicContact CG-CE1 4.38Å; L153-F158 WeakPolarHBondContact O-CD1 3.22Å; L153-M159 WeakPolarHBondContact O-CG 3.48Å; L153-N182 VanDerWaalsContact CG-C 3.47Å; L153-N182 WeakPolarHBondContact CG-O 3.1Å; L153-N182 PolarHBondContact N-O 2.96Å; L153-F184 HydrophobicContact CD2-CD2 3.58Å; L153-F184 HydrophobicContact CD2-CE2 3.68Å
154	D	91.1	Very high	92.9	Very high	102 Å²	102	66.9 Å²	66.9	55%	0.545	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-4.8	179	-60.1	-49	0	0	0	113.3	S152 M159 N182	S152-D154 PolarHBondContact O-N 3.22Å; S152-D154 PolarHBondContact OG-N 3.47Å; D154-M159 WeakPolarHBondContact O-CE 3.38Å; D154-N182 PolarHBondContact OD2-ND2 2.98Å
155	S	91.8	Very high	93.1	Very high	40 Å²	40	59.4 Å²	59.4	28%	0.28	31%	0.309	S	S	.	.	S	Bend	trans	-70.5	138.3	178.8	68.4	0	0	0	0	110.9	S152 L153 D157 F158 M159	S152-S155 WeakPolarHBondContact O-CB 3.33Å; S152-S155 PolarHBondContact O-N 3.31Å; S152-S155 PolarHBondContact O-OG 3.45Å; L153-S155 VanDerWaalsContact C-N 3.27Å; L153-S155 PolarHBondContact O-N 2.81Å; S155-D157 PolarHBondContact O-N 3.22Å; S155-F158 WeakPolarHBondContact O-CA 3.38Å; S155-F158 PolarHBondContact O-N 2.89Å; S155-F158 WeakPolarHBondContact OG-CB 3.29Å; S155-F158 PolarHBondContact OG-N 3.12Å; S155-M159 PolarHBondContact O-N 3.23Å
156	S	89.4	Confident	93.1	Very high	54 Å²	54	58.5 Å²	58.5	38%	0.378	31%	0.311	S	S	.	.	H	α-helix	trans	-56.7	-37.9	175.2	166.8	0	0	0	0	111.6	F158 E160	S156-F158 VanDerWaalsContact C-N 3.31Å; S156-F158 PolarHBondContact O-N 2.8Å; S156-E160 VanDerWaalsContact O-CB 3.26Å; S156-E160 WeakPolarHBondContact O-CB 3.48Å; S156-E160 WeakPolarHBondContact O-CG 3.35Å; S156-E160 PolarHBondContact O-N 3.44Å; S156-E160 PolarHBondContact OG-OE1 2.66Å; S156-E160 PolarHBondContact OG-OE2 2.77Å
157	D	90.2	Very high	93.2	Very high	72 Å²	72	54.1 Å²	54.1	39%	0.385	29%	0.288	S	S	.	.	H	α-helix	trans	-59.7	-40.8	174	-78.2	-12.2	0	0	0	111.8	S155 T161 L162	S155-D157 PolarHBondContact O-N 3.22Å; D157-T161 WeakPolarHBondContact O-CB 3.42Å; D157-T161 PolarHBondContact O-N 2.72Å; D157-L162 PolarHBondContact O-N 2.69Å
158	F	94.1	Very high	93.4	Very high	9 Å²	9	47.7 Å²	47.7	4%	0.039	26%	0.26	C	S	.	.	I	π-helix	trans	-69.9	-56.7	176.3	-175.2	-88.8	0	0	0	111.8	I151 S152 L153 S155 S156 E160 L162 L163 M169 F184	I151-F158 HydrophobicContact CG2-CB 4.41Å; I151-F158 HydrophobicContact CG2-CD2 3.9Å; S152-F158 WeakPolarHBondContact O-CB 3.24Å; L153-F158 HydrophobicContact CB-CD1 4.24Å; L153-F158 HydrophobicContact CB-CE1 4.23Å; L153-F158 HydrophobicContact CD2-CD1 4Å; L153-F158 HydrophobicContact CD2-CD2 4.31Å; L153-F158 HydrophobicContact CD2-CE1 3.4Å; L153-F158 VanDerWaalsContact CD2-CE1 3.4Å; L153-F158 HydrophobicContact CD2-CE2 3.77Å; L153-F158 HydrophobicContact CD2-CG 4.43Å; L153-F158 HydrophobicContact CD2-CZ 3.28Å; L153-F158 HydrophobicContact CG-CE1 4.38Å; L153-F158 WeakPolarHBondContact O-CD1 3.22Å; S155-F158 WeakPolarHBondContact O-CA 3.38Å; S155-F158 PolarHBondContact O-N 2.89Å; S155-F158 WeakPolarHBondContact OG-CB 3.29Å; S155-F158 PolarHBondContact OG-N 3.12Å; S156-F158 VanDerWaalsContact C-N 3.31Å; S156-F158 PolarHBondContact O-N 2.8Å; F158-E160 PolarHBondContact O-N 2.82Å; F158-L162 HydrophobicContact CB-CD1 4.37Å; F158-L162 HydrophobicContact CD2-CB 3.93Å; F158-L162 HydrophobicContact CD2-CD1 3.98Å; F158-L162 HydrophobicContact CE2-CB 4.4Å; F158-L162 HydrophobicContact CG-CB 4.48Å; F158-L162 PolarHBondContact O-N 3.4Å; F158-L162 VanDerWaalsContact O-N 3.11Å; F158-L163 HydrophobicContact CD1-CB 4.33Å; F158-L163 HydrophobicContact CE1-CB 3.95Å; F158-L163 HydrophobicContact CE1-CD1 4.36Å; F158-L163 HydrophobicContact CE1-CD2 4.22Å; F158-L163 HydrophobicContact CE1-CG 4.41Å; F158-L163 HydrophobicContact CZ-CB 4.31Å; F158-L163 HydrophobicContact CZ-CD1 4.38Å; F158-L163 WeakPolarHBondContact O-CB 3.24Å; F158-L163 PolarHBondContact O-N 3.41Å; F158-M169 HydrophobicContact CE2-SD 4Å; F158-M169 HydrophobicContact CZ-CE 4.39Å; F158-M169 HydrophobicContact CZ-SD 4.07Å; F158-F184 AromaticContact CE2-CD2 3.59Å; F158-F184 HydrophobicContact CE2-CD2 3.59Å; F158-F184 AromaticContact CE2-CE2 3.75Å; F158-F184 HydrophobicContact CE2-CE2 3.75Å; F158-F184 AromaticContact CZ-CD2 3.97Å; F158-F184 HydrophobicContact CZ-CD2 3.97Å; F158-F184 AromaticContact CZ-CE2 3.71Å; F158-F184 HydrophobicContact CZ-CE2 3.71Å
159	M	92.9	Very high	93.5	Very high	99 Å²	99	47 Å²	47	49%	0.488	26%	0.259	S	S	.	.	I	π-helix	trans	-63.8	-39.4	-173.2	-68.8	-163.6	-70.7	0	0	113.5	L153 D154 S155 V164	L153-M159 WeakPolarHBondContact O-CG 3.48Å; D154-M159 WeakPolarHBondContact O-CE 3.38Å; S155-M159 PolarHBondContact O-N 3.23Å; M159-V164 VanDerWaalsContact O-CG2 3.22Å; M159-V164 WeakPolarHBondContact O-CG2 3.25Å
160	E	91.9	Very high	93.5	Very high	100 Å²	100	49.5 Å²	49.5	47%	0.467	27%	0.273	S	S	.	.	I	π-helix	trans	-93.7	-17.1	-174.6	-61.3	172.4	-151.1	0	0	113.2	R127 S156 F158	R127-E160 IonicContact CZ-OE2 2.71Å; R127-E160 VanDerWaalsContact CZ-OE2 3.22Å; R127-E160 IonicContact NH1-OE2 3.7Å; R127-E160 PolarHBondContact NH1-OE2 2.67Å; R127-E160 IonicContact NH2-OE2 2.64Å; R127-E160 PolarHBondContact NH2-OE2 3.16Å; S156-E160 VanDerWaalsContact O-CB 3.26Å; S156-E160 WeakPolarHBondContact O-CB 3.48Å; S156-E160 WeakPolarHBondContact O-CG 3.35Å; S156-E160 PolarHBondContact O-N 3.44Å; S156-E160 PolarHBondContact OG-OE1 2.66Å; S156-E160 PolarHBondContact OG-OE2 2.77Å; F158-E160 PolarHBondContact O-N 2.82Å
161	T	94.3	Very high	93.6	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.253	C	S	.	.	I	π-helix	trans	-128.3	-64.1	-173.3	-43.8	0	0	0	0	112.5	R127 A128 D157 L163 V164 V165	R127-T161 HydrophobicContact CB-CG2 4.1Å; R127-T161 WeakPolarHBondContact CD-OG1 3.41Å; R127-T161 HydrophobicContact CG-CG2 3.85Å; R127-T161 PolarHBondContact NE-OG1 3.49Å; A128-T161 VanDerWaalsContact CA-CG2 3.48Å; A128-T161 HydrophobicContact CB-CG2 3.96Å; D157-T161 WeakPolarHBondContact O-CB 3.42Å; D157-T161 PolarHBondContact O-N 2.72Å; T161-L163 VanDerWaalsContact C-N 3.32Å; T161-L163 PolarHBondContact O-N 2.88Å; T161-V164 PolarHBondContact O-N 2.79Å; T161-V165 HydrophobicContact CG2-CG2 4.22Å; T161-V165 VanDerWaalsContact O-CB 3.32Å; T161-V165 WeakPolarHBondContact O-CB 3.39Å; T161-V165 WeakPolarHBondContact O-CG2 3.45Å; T161-V165 PolarHBondContact O-N 3.35Å
162	L	96.3	Very high	93.7	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.01	25%	0.25	C	C	.	.	I	π-helix	trans	-65.1	-36.4	-170.8	-58.9	173.7	0	0	0	112.7	C131 L132 I135 I151 D157 F158 C168 M169 L172	C131-L162 HydrophobicContact CB-CD2 4.04Å; L132-L162 HydrophobicContact CD2-CD2 3.66Å; L132-L162 HydrophobicContact CG-CD2 4.14Å; I135-L162 HydrophobicContact CD1-CD1 3.88Å; I135-L162 HydrophobicContact CD1-CD2 4.4Å; I151-L162 HydrophobicContact CG2-CD1 4.04Å; D157-L162 PolarHBondContact O-N 2.69Å; F158-L162 HydrophobicContact CB-CD1 4.37Å; F158-L162 HydrophobicContact CD2-CB 3.93Å; F158-L162 HydrophobicContact CD2-CD1 3.98Å; F158-L162 HydrophobicContact CE2-CB 4.4Å; F158-L162 HydrophobicContact CG-CB 4.48Å; F158-L162 PolarHBondContact O-N 3.4Å; F158-L162 VanDerWaalsContact O-N 3.11Å; L162-C168 HydrophobicContact CB-CB 4.35Å; L162-C168 HydrophobicContact CD2-CB 4.22Å; L162-C168 WeakPolarHBondContact O-CB 3.45Å; L162-M169 WeakPolarHBondContact O-CG 3.24Å; L162-L172 HydrophobicContact CD1-CD1 4.45Å
163	L	94.1	Very high	93.8	Very high	100 Å²	100	47 Å²	47	52%	0.524	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-36.1	178.2	-176.7	62	0	0	0	112.7	F158 T161 M169	F158-L163 HydrophobicContact CD1-CB 4.33Å; F158-L163 HydrophobicContact CE1-CB 3.95Å; F158-L163 HydrophobicContact CE1-CD1 4.36Å; F158-L163 HydrophobicContact CE1-CD2 4.22Å; F158-L163 HydrophobicContact CE1-CG 4.41Å; F158-L163 HydrophobicContact CZ-CB 4.31Å; F158-L163 HydrophobicContact CZ-CD1 4.38Å; F158-L163 WeakPolarHBondContact O-CB 3.24Å; F158-L163 PolarHBondContact O-N 3.41Å; T161-L163 VanDerWaalsContact C-N 3.32Å; T161-L163 PolarHBondContact O-N 2.88Å; L163-M169 HydrophobicContact CD1-SD 4.46Å
164	V	92.9	Very high	93.9	Very high	87 Å²	87	47 Å²	47	53%	0.527	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-34.4	-168.8	177.8	0	0	0	0	112.3	M159 T161 P166	M159-V164 VanDerWaalsContact O-CG2 3.22Å; M159-V164 WeakPolarHBondContact O-CG2 3.25Å; T161-V164 PolarHBondContact O-N 2.79Å; V164-P166 WeakPolarHBondContact O-CD 3.39Å
165	V	94.3	Very high	94.1	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.024	23%	0.233	C	C	.	.	S	Bend	trans	-87	120.3	-173	177.7	0	0	0	0	111	L116 N119 E124 A128 T161 G167 C168	L116-V165 HydrophobicContact CD2-CG1 4.01Å; N119-V165 WeakPolarHBondContact ND2-CG1 3.48Å; E124-V165 HydrophobicContact CB-CG2 3.88Å; E124-V165 HydrophobicContact CG-CG2 4.32Å; A128-V165 HydrophobicContact CB-CB 4.11Å; A128-V165 HydrophobicContact CB-CG1 3.7Å; A128-V165 HydrophobicContact CB-CG2 4.36Å; T161-V165 HydrophobicContact CG2-CG2 4.22Å; T161-V165 VanDerWaalsContact O-CB 3.32Å; T161-V165 WeakPolarHBondContact O-CB 3.39Å; T161-V165 WeakPolarHBondContact O-CG2 3.45Å; T161-V165 PolarHBondContact O-N 3.35Å; V165-G167 PolarHBondContact O-N 3.01Å; V165-C168 WeakPolarHBondContact O-CB 3.36Å; V165-C168 PolarHBondContact O-N 3.22Å; V165-C168 VanDerWaalsContact O-N 3.17Å
166	P	92.1	Very high	94.3	Very high	72 Å²	72	41.9 Å²	41.9	47%	0.468	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	136.9	177.3	-27.2	35.6	0	0	0	112.7	V164	V164-P166 WeakPolarHBondContact O-CD 3.39Å
167	G	93.7	Very high	94.7	Very high	2 Å²	2	39.5 Å²	39.5	2%	0.021	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.1	-20.8	-175.9	0	0	0	0	0	115.3	S112 V165 F171	S112-G167 WeakPolarHBondContact CB-O 3.24Å; S112-G167 WeakPolarHBondContact O-CA 3.34Å; V165-G167 PolarHBondContact O-N 3.01Å; G167-F171 VanDerWaalsContact O-CB 3.28Å; G167-F171 WeakPolarHBondContact O-CB 3.46Å; G167-F171 PolarHBondContact O-N 3.19Å
168	C	96.8	Very high	95	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-64.7	-49.4	177.7	-83.6	0	0	0	0	112.7	A128 L162 V165 F171 L172	A128-C168 WeakPolarHBondContact CB-SG 3.24Å; L162-C168 HydrophobicContact CB-CB 4.35Å; L162-C168 HydrophobicContact CD2-CB 4.22Å; L162-C168 WeakPolarHBondContact O-CB 3.45Å; V165-C168 WeakPolarHBondContact O-CB 3.36Å; V165-C168 PolarHBondContact O-N 3.22Å; V165-C168 VanDerWaalsContact O-N 3.17Å; C168-F171 WeakPolarHBondContact O-CB 3.24Å; C168-F171 PolarHBondContact O-N 2.75Å; C168-L172 WeakPolarHBondContact O-CG 3.38Å; C168-L172 PolarHBondContact O-N 3.14Å; C168-L172 VanDerWaalsContact O-N 3.1Å
169	M	96.3	Very high	95	Very high	40 Å²	40	48.2 Å²	48.2	20%	0.197	26%	0.256	C	S	.	.	H	α-helix	trans	-63.1	-45.9	178.3	-66.8	-62	-68.6	0	0	111.4	F158 L162 L163 F171 L172 F173 F184	F158-M169 HydrophobicContact CE2-SD 4Å; F158-M169 HydrophobicContact CZ-CE 4.39Å; F158-M169 HydrophobicContact CZ-SD 4.07Å; L162-M169 WeakPolarHBondContact O-CG 3.24Å; L163-M169 HydrophobicContact CD1-SD 4.46Å; M169-F171 PolarHBondContact O-N 2.8Å; M169-L172 WeakPolarHBondContact O-CB 3.43Å; M169-L172 PolarHBondContact O-N 2.83Å; M169-L172 VanDerWaalsContact O-N 3.09Å; M169-L172 HydrophobicContact SD-CD1 4.43Å; M169-F173 HydrophobicContact CB-CE2 4.31Å; M169-F173 HydrophobicContact CE-CE2 4.23Å; M169-F173 HydrophobicContact CE-CZ 4.34Å; M169-F173 WeakPolarHBondContact O-CD2 3.19Å; M169-F173 PolarHBondContact O-N 3.2Å; M169-F184 HydrophobicContact CE-CE1 4.05Å; M169-F184 HydrophobicContact CE-CE2 3.64Å; M169-F184 HydrophobicContact CE-CZ 3.27Å
170	D	94.7	Very high	94.9	Very high	66 Å²	66	45.6 Å²	45.6	35%	0.353	25%	0.25	S	S	.	.	H	α-helix	trans	-58.9	-36.2	175.7	-65.4	-36.2	0	0	0	111.8	Q115 F173 S174	Q115-D170 PolarHBondContact NE2-OD2 2.75Å; Q115-D170 PolarHBondContact OE1-OD2 2.89Å; D170-F173 PolarHBondContact O-N 3.37Å; D170-S174 VanDerWaalsContact O-CB 3.27Å; D170-S174 WeakPolarHBondContact O-CB 3.08Å; D170-S174 PolarHBondContact O-N 3.15Å; D170-S174 PolarHBondContact O-OG 3.16Å
171	F	97.2	Very high	94.8	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.009	27%	0.271	C	S	.	.	H	α-helix	trans	-64.6	-44.1	175.9	-176.9	-83.1	0	0	0	111.3	S112 I113 L132 G167 C168 M169 S174 A175 L198 L202	S112-F171 VanDerWaalsContact CB-CA 3.44Å; I113-F171 HydrophobicContact CD1-CD2 3.63Å; I113-F171 HydrophobicContact CD1-CE2 3.66Å; I113-F171 HydrophobicContact CG1-CD2 4.38Å; L132-F171 HydrophobicContact CB-CE1 4.36Å; L132-F171 HydrophobicContact CD1-CB 4.07Å; L132-F171 HydrophobicContact CD1-CD1 4.01Å; L132-F171 HydrophobicContact CD1-CD2 4.3Å; L132-F171 HydrophobicContact CD1-CG 3.86Å; L132-F171 HydrophobicContact CD2-CB 4.47Å; L132-F171 HydrophobicContact CD2-CD1 3.59Å; L132-F171 HydrophobicContact CD2-CE1 4.11Å; L132-F171 HydrophobicContact CD2-CG 4.21Å; L132-F171 HydrophobicContact CG-CD1 4.24Å; G167-F171 VanDerWaalsContact O-CB 3.28Å; G167-F171 WeakPolarHBondContact O-CB 3.46Å; G167-F171 PolarHBondContact O-N 3.19Å; C168-F171 WeakPolarHBondContact O-CB 3.24Å; C168-F171 PolarHBondContact O-N 2.75Å; M169-F171 PolarHBondContact O-N 2.8Å; F171-S174 PolarHBondContact O-N 2.86Å; F171-A175 VanDerWaalsContact O-CB 3.28Å; F171-A175 WeakPolarHBondContact O-CB 3.38Å; F171-A175 PolarHBondContact O-N 3.31Å; F171-L198 HydrophobicContact CD2-CD2 4.43Å; F171-L198 HydrophobicContact CE2-CB 3.71Å; F171-L198 HydrophobicContact CE2-CD2 4.27Å; F171-L198 HydrophobicContact CE2-CG 4.39Å; F171-L198 HydrophobicContact CZ-CB 3.86Å; F171-L202 HydrophobicContact CE2-CB 4.34Å; F171-L202 HydrophobicContact CE2-CD1 4.22Å; F171-L202 HydrophobicContact CZ-CD2 4.38Å
172	L	97.3	Very high	94.7	Very high	0 Å²	0	53 Å²	53	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-61.4	-45.1	177.3	-65.8	179.6	0	0	0	110.8	L132 I151 L162 C168 M169 A175 G176 F177	L132-L172 HydrophobicContact CD2-CD2 4.15Å; I151-L172 HydrophobicContact CD1-CD1 4.18Å; I151-L172 HydrophobicContact CD1-CD2 3.67Å; L162-L172 HydrophobicContact CD1-CD1 4.45Å; C168-L172 WeakPolarHBondContact O-CG 3.38Å; C168-L172 PolarHBondContact O-N 3.14Å; C168-L172 VanDerWaalsContact O-N 3.1Å; M169-L172 WeakPolarHBondContact O-CB 3.43Å; M169-L172 PolarHBondContact O-N 2.83Å; M169-L172 VanDerWaalsContact O-N 3.09Å; M169-L172 HydrophobicContact SD-CD1 4.43Å; L172-A175 WeakPolarHBondContact O-CB 3.15Å; L172-A175 PolarHBondContact O-N 3.46Å; L172-G176 PolarHBondContact O-N 2.74Å; L172-F177 HydrophobicContact CB-CB 4.1Å; L172-F177 HydrophobicContact CB-CD2 4.22Å; L172-F177 HydrophobicContact CB-CG 4.33Å; L172-F177 HydrophobicContact CD2-CD2 3.94Å; L172-F177 HydrophobicContact CD2-CE2 4Å; L172-F177 HydrophobicContact CD2-CG 4.37Å; L172-F177 HydrophobicContact CD2-CZ 4.48Å; L172-F177 WeakPolarHBondContact O-CB 3.23Å; L172-F177 WeakPolarHBondContact O-CD2 3.46Å; L172-F177 PolarHBondContact O-N 2.88Å
173	F	96.6	Very high	94.6	Very high	99 Å²	99	53 Å²	53	43%	0.434	29%	0.293	S	S	.	.	H	α-helix	trans	-63.5	-45.4	175.4	-67.1	-57.1	0	0	0	112.4	M169 D170 A175 G176 F184	M169-F173 HydrophobicContact CB-CE2 4.31Å; M169-F173 HydrophobicContact CE-CE2 4.23Å; M169-F173 HydrophobicContact CE-CZ 4.34Å; M169-F173 WeakPolarHBondContact O-CD2 3.19Å; M169-F173 PolarHBondContact O-N 3.2Å; D170-F173 PolarHBondContact O-N 3.37Å; F173-A175 PolarHBondContact O-N 2.8Å; F173-G176 WeakPolarHBondContact O-CA 3.26Å; F173-G176 PolarHBondContact O-N 3.01Å; F173-F184 HydrophobicContact CD1-CE1 4.48Å; F173-F184 AromaticContact CE1-CE1 3.63Å; F173-F184 HydrophobicContact CE1-CE1 3.63Å; F173-F184 HydrophobicContact CE1-CZ 4.43Å; F173-F184 AromaticContact CZ-CE1 3.73Å; F173-F184 HydrophobicContact CZ-CE1 3.73Å; F173-F184 HydrophobicContact CZ-CZ 4.11Å
174	S	93.7	Very high	94.7	Very high	38 Å²	38	48.4 Å²	48.4	27%	0.266	27%	0.269	S	S	.	.	H	α-helix	trans	-60.1	-30.4	175.1	-80.9	0	0	0	0	113	D110 D170 F171 G176 R194	D110-S174 PolarHBondContact OD2-OG 3.19Å; D170-S174 VanDerWaalsContact O-CB 3.27Å; D170-S174 WeakPolarHBondContact O-CB 3.08Å; D170-S174 PolarHBondContact O-N 3.15Å; D170-S174 PolarHBondContact O-OG 3.16Å; F171-S174 PolarHBondContact O-N 2.86Å; S174-G176 VanDerWaalsContact C-N 3.3Å; S174-R194 WeakPolarHBondContact O-CG 3.48Å; S174-R194 PolarHBondContact O-NE 3.2Å
175	A	96.1	Very high	94.8	Very high	3 Å²	3	46 Å²	46	3%	0.025	25%	0.254	C	S	.	.	H	α-helix	trans	-77.9	-13.5	174.4	0	0	0	0	0	113.3	F171 L172 F173 F177 L186 L195 L198	F171-A175 VanDerWaalsContact O-CB 3.28Å; F171-A175 WeakPolarHBondContact O-CB 3.38Å; F171-A175 PolarHBondContact O-N 3.31Å; L172-A175 WeakPolarHBondContact O-CB 3.15Å; L172-A175 PolarHBondContact O-N 3.46Å; F173-A175 PolarHBondContact O-N 2.8Å; A175-F177 HydrophobicContact CB-CD2 4.04Å; A175-F177 HydrophobicContact CB-CE2 4.28Å; A175-L186 WeakPolarHBondContact O-CD1 3.49Å; A175-L195 HydrophobicContact CB-CD1 3.88Å; A175-L198 HydrophobicContact CB-CD1 3.97Å
176	G	96.2	Very high	95	Very high	30 Å²	30	45.9 Å²	45.9	31%	0.309	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	99.2	10.8	178.6	0	0	0	0	0	115.1	L172 F173 S174 L186 P187	L172-G176 PolarHBondContact O-N 2.74Å; F173-G176 WeakPolarHBondContact O-CA 3.26Å; F173-G176 PolarHBondContact O-N 3.01Å; S174-G176 VanDerWaalsContact C-N 3.3Å; G176-L186 WeakPolarHBondContact O-CD1 3.48Å; G176-P187 WeakPolarHBondContact O-CD 3.27Å
177	F	97.7	Very high	95.2	Very high	5 Å²	5	44 Å²	44	2%	0.022	24%	0.242	C	C	.	.			trans	-66.6	142.9	172	-75	-97.8	0	0	0	110.6	I135 I139 I151 L172 A175 F184 V185 L186	I135-F177 HydrophobicContact CG2-CE2 4.35Å; I135-F177 HydrophobicContact CG2-CZ 3.91Å; I139-F177 HydrophobicContact CD1-CE2 4.24Å; I139-F177 HydrophobicContact CD1-CZ 3.62Å; I151-F177 HydrophobicContact CD1-CD1 4.03Å; I151-F177 HydrophobicContact CD1-CE1 3.51Å; I151-F177 HydrophobicContact CD1-CZ 3.77Å; I151-F177 HydrophobicContact CG1-CE1 3.89Å; I151-F177 HydrophobicContact CG1-CZ 4.41Å; L172-F177 HydrophobicContact CB-CB 4.1Å; L172-F177 HydrophobicContact CB-CD2 4.22Å; L172-F177 HydrophobicContact CB-CG 4.33Å; L172-F177 HydrophobicContact CD2-CD2 3.94Å; L172-F177 HydrophobicContact CD2-CE2 4Å; L172-F177 HydrophobicContact CD2-CG 4.37Å; L172-F177 HydrophobicContact CD2-CZ 4.48Å; L172-F177 WeakPolarHBondContact O-CB 3.23Å; L172-F177 WeakPolarHBondContact O-CD2 3.46Å; L172-F177 PolarHBondContact O-N 2.88Å; A175-F177 HydrophobicContact CB-CD2 4.04Å; A175-F177 HydrophobicContact CB-CE2 4.28Å; F177-F184 HydrophobicContact CB-CB 4.4Å; F177-F184 HydrophobicContact CB-CD1 4.13Å; F177-F184 HydrophobicContact CD1-CB 4.05Å; F177-V185 WeakPolarHBondContact CA-O 3.4Å; F177-L186 HydrophobicContact CD1-CB 3.81Å; F177-L186 HydrophobicContact CD2-CB 4.3Å; F177-L186 HydrophobicContact CD2-CD1 4.12Å; F177-L186 HydrophobicContact CE1-CB 3.7Å; F177-L186 HydrophobicContact CE2-CB 4.2Å; F177-L186 HydrophobicContact CE2-CD1 4.38Å; F177-L186 HydrophobicContact CE2-CD2 4.16Å; F177-L186 HydrophobicContact CE2-CG 4.5Å; F177-L186 HydrophobicContact CG-CB 4.13Å; F177-L186 HydrophobicContact CG-CD1 4.41Å; F177-L186 HydrophobicContact CZ-CB 3.91Å; F177-L186 HydrophobicContact CZ-CD2 4.25Å
178	Q	95.7	Very high	95.1	Very high	121 Å²	121	47.4 Å²	47.4	57%	0.565	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.7	145.2	177.9	-61.3	177.3	-2.5	0	0	108.9	F184 V185 P187	Q178-F184 WeakPolarHBondContact O-CA 3.36Å; Q178-V185 PolarHBondContact N-O 3.49Å; Q178-V185 PolarHBondContact O-N 2.84Å; Q178-P187 HydrophobicContact CG-CG 4.45Å
179	E	93.9	Very high	94.9	Very high	142 Å²	142	53.8 Å²	53.8	66%	0.664	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.9	132.1	172.8	-169.3	174.6	-178.7	0	0	109.5	F184	E179-F184 HydrophobicContact CB-CE1 4.1Å; E179-F184 HydrophobicContact CB-CZ 4.18Å; E179-F184 HydrophobicContact CG-CZ 4.31Å
180	A	91.5	Very high	94.8	Very high	45 Å²	45	53.1 Å²	53.1	37%	0.372	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	178	175.5	0	0	0	0	0	109.3	N182 A183 V185	A180-N182 PolarHBondContact O-N 3.16Å; A180-A183 CarbonylContact C-O 3.5Å; A180-A183 PolarHBondContact N-O 2.96Å; A180-A183 PolarHBondContact O-N 3.39Å; A180-A183 VanDerWaalsContact O-O 3.09Å; A180-V185 HydrophobicContact CB-CB 4.5Å; A180-V185 HydrophobicContact CB-CG2 3.73Å
181	D	89.7	Confident	94.8	Very high	168 Å²	168	54.9 Å²	54.9	90%	0.898	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	109.3	178.6	-102.4	-3.2	0	0	0	111.2	A183	D181-A183 PolarHBondContact O-N 3.28Å
182	N	91.8	Very high	94.5	Very high	88 Å²	88	57.5 Å²	57.5	47%	0.471	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.4	24.5	-179.6	-154.8	38.7	0	0	0	115.9	L153 D154 A180	L153-N182 VanDerWaalsContact CG-C 3.47Å; L153-N182 WeakPolarHBondContact CG-O 3.1Å; L153-N182 PolarHBondContact N-O 2.96Å; D154-N182 PolarHBondContact OD2-ND2 2.98Å; A180-N182 PolarHBondContact O-N 3.16Å
183	A	94.3	Very high	94.1	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	162.9	179.6	0	0	0	0	0	114.6	H150 I151 A180 D181 V185	H150-A183 WeakPolarHBondContact CE1-CB 3.41Å; H150-A183 VanDerWaalsContact NE2-CB 3.31Å; H150-A183 WeakPolarHBondContact NE2-CB 3.22Å; I151-A183 CarbonylContact O-C 3.59Å; I151-A183 VanDerWaalsContact O-CA 3.25Å; I151-A183 WeakPolarHBondContact O-CA 3.31Å; I151-A183 WeakPolarHBondContact O-CB 3.26Å; A180-A183 CarbonylContact C-O 3.5Å; A180-A183 PolarHBondContact N-O 2.96Å; A180-A183 PolarHBondContact O-N 3.39Å; A180-A183 VanDerWaalsContact O-O 3.09Å; D181-A183 PolarHBondContact O-N 3.28Å; A183-V185 HydrophobicContact CB-CG2 4.33Å
184	F	95.8	Very high	93.8	Very high	5 Å²	5	58 Å²	58	2%	0.022	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	129.4	158.9	-82.7	-92.1	0	0	0	110.1	I151 L153 F158 M169 F173 F177 Q178 E179	I151-F184 HydrophobicContact CB-CB 4.21Å; I151-F184 PolarHBondContact N-O 2.77Å; I151-F184 PolarHBondContact O-N 3.41Å; L153-F184 HydrophobicContact CD2-CD2 3.58Å; L153-F184 HydrophobicContact CD2-CE2 3.68Å; F158-F184 AromaticContact CE2-CD2 3.59Å; F158-F184 HydrophobicContact CE2-CD2 3.59Å; F158-F184 AromaticContact CE2-CE2 3.75Å; F158-F184 HydrophobicContact CE2-CE2 3.75Å; F158-F184 AromaticContact CZ-CD2 3.97Å; F158-F184 HydrophobicContact CZ-CD2 3.97Å; F158-F184 AromaticContact CZ-CE2 3.71Å; F158-F184 HydrophobicContact CZ-CE2 3.71Å; M169-F184 HydrophobicContact CE-CE1 4.05Å; M169-F184 HydrophobicContact CE-CE2 3.64Å; M169-F184 HydrophobicContact CE-CZ 3.27Å; F173-F184 HydrophobicContact CD1-CE1 4.48Å; F173-F184 AromaticContact CE1-CE1 3.63Å; F173-F184 HydrophobicContact CE1-CE1 3.63Å; F173-F184 HydrophobicContact CE1-CZ 4.43Å; F173-F184 AromaticContact CZ-CE1 3.73Å; F173-F184 HydrophobicContact CZ-CE1 3.73Å; F173-F184 HydrophobicContact CZ-CZ 4.11Å; F177-F184 HydrophobicContact CB-CB 4.4Å; F177-F184 HydrophobicContact CB-CD1 4.13Å; F177-F184 HydrophobicContact CD1-CB 4.05Å; Q178-F184 WeakPolarHBondContact O-CA 3.36Å; E179-F184 HydrophobicContact CB-CE1 4.1Å; E179-F184 HydrophobicContact CB-CZ 4.18Å; E179-F184 HydrophobicContact CG-CZ 4.31Å
185	V	96.2	Very high	93.8	Very high	37 Å²	37	56.2 Å²	56.2	22%	0.224	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	130.3	-176.4	-173.4	0	0	0	0	110.4	R149 H150 F177 Q178 A180 A183	R149-V185 CarbonylContact O-C 3.55Å; R149-V185 WeakPolarHBondContact O-CA 3.33Å; H150-V185 VanDerWaalsContact CD2-CG2 3.49Å; H150-V185 WeakPolarHBondContact CD2-CG2 3.18Å; F177-V185 WeakPolarHBondContact CA-O 3.4Å; Q178-V185 PolarHBondContact N-O 3.49Å; Q178-V185 PolarHBondContact O-N 2.84Å; A180-V185 HydrophobicContact CB-CB 4.5Å; A180-V185 HydrophobicContact CB-CG2 3.73Å; A183-V185 HydrophobicContact CB-CG2 4.33Å
186	L	97.3	Very high	93.5	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	35%	0.352	C	S	.	.			trans	-93.1	114.1	171.2	-175.2	66	0	0	0	109.1	I139 R149 A175 G176 F177 F190 L195	I139-L186 HydrophobicContact CD1-CD2 4Å; I139-L186 HydrophobicContact CG2-CD2 4.02Å; R149-L186 HydrophobicContact CB-CB 3.96Å; R149-L186 WeakPolarHBondContact CD-O 3.39Å; R149-L186 HydrophobicContact CG-CB 4.31Å; R149-L186 HydrophobicContact CG-CD2 4.41Å; R149-L186 PolarHBondContact NE-O 2.9Å; R149-L186 PolarHBondContact O-N 2.9Å; A175-L186 WeakPolarHBondContact O-CD1 3.49Å; G176-L186 WeakPolarHBondContact O-CD1 3.48Å; F177-L186 HydrophobicContact CD1-CB 3.81Å; F177-L186 HydrophobicContact CD2-CB 4.3Å; F177-L186 HydrophobicContact CD2-CD1 4.12Å; F177-L186 HydrophobicContact CE1-CB 3.7Å; F177-L186 HydrophobicContact CE2-CB 4.2Å; F177-L186 HydrophobicContact CE2-CD1 4.38Å; F177-L186 HydrophobicContact CE2-CD2 4.16Å; F177-L186 HydrophobicContact CE2-CG 4.5Å; F177-L186 HydrophobicContact CG-CB 4.13Å; F177-L186 HydrophobicContact CG-CD1 4.41Å; F177-L186 HydrophobicContact CZ-CB 3.91Å; F177-L186 HydrophobicContact CZ-CD2 4.25Å; L186-F190 HydrophobicContact CD1-CB 3.52Å; L186-F190 HydrophobicContact CD1-CD2 4.38Å; L186-F190 HydrophobicContact CD1-CG 4.05Å; L186-F190 HydrophobicContact CD2-CB 4.15Å; L186-F190 HydrophobicContact CD2-CD1 4.09Å; L186-F190 HydrophobicContact CD2-CD2 3.7Å; L186-F190 HydrophobicContact CD2-CE1 4.39Å; L186-F190 HydrophobicContact CD2-CE2 4.03Å; L186-F190 HydrophobicContact CD2-CG 3.71Å; L186-F190 HydrophobicContact CD2-CZ 4.36Å; L186-F190 HydrophobicContact CG-CB 3.66Å; L186-F190 HydrophobicContact CG-CD1 4.12Å; L186-F190 HydrophobicContact CG-CD2 4.2Å; L186-F190 HydrophobicContact CG-CG 3.73Å; L186-L195 HydrophobicContact CD2-CD2 4.48Å
187	P	95.7	Very high	93.1	Very high	34 Å²	34	62.8 Å²	62.8	22%	0.221	35%	0.35	C	S	.	.			trans	-58.6	150	-178.1	-24.6	34.4	0	0	0	112.3	G176 Q178 T189 F190	G176-P187 WeakPolarHBondContact O-CD 3.27Å; Q178-P187 HydrophobicContact CG-CG 4.45Å; P187-T189 PolarHBondContact O-N 3.47Å; P187-F190 WeakPolarHBondContact O-CB 3.23Å; P187-F190 VanDerWaalsContact O-CD1 3.23Å; P187-F190 WeakPolarHBondContact O-CD1 3.5Å; P187-F190 PolarHBondContact O-N 2.95Å
188	A	93	Very high	92.8	Very high	72 Å²	72	62.5 Å²	62.5	60%	0.595	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-20.1	176.7	0	0	0	0	0	113.6	F190	A188-F190 VanDerWaalsContact C-N 3.32Å
189	T	92.7	Very high	92.6	Very high	134 Å²	134	57.5 Å²	57.5	82%	0.822	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	15.7	176.5	57.1	0	0	0	0	113.6	P187	P187-T189 PolarHBondContact O-N 3.47Å
190	F	94.5	Very high	92.1	Very high	26 Å²	26	55.7 Å²	55.7	11%	0.114	32%	0.319	C	S	.	.			trans	-60.4	153.8	-178.6	75.3	-78.2	0	0	0	113.2	I139 P143 L186 P187 A188 V192 L195	I139-F190 HydrophobicContact CG2-CE2 4.12Å; I139-F190 HydrophobicContact CG2-CZ 3.8Å; P143-F190 HydrophobicContact CB-CZ 4.3Å; L186-F190 HydrophobicContact CD1-CB 3.52Å; L186-F190 HydrophobicContact CD1-CD2 4.38Å; L186-F190 HydrophobicContact CD1-CG 4.05Å; L186-F190 HydrophobicContact CD2-CB 4.15Å; L186-F190 HydrophobicContact CD2-CD1 4.09Å; L186-F190 HydrophobicContact CD2-CD2 3.7Å; L186-F190 HydrophobicContact CD2-CE1 4.39Å; L186-F190 HydrophobicContact CD2-CE2 4.03Å; L186-F190 HydrophobicContact CD2-CG 3.71Å; L186-F190 HydrophobicContact CD2-CZ 4.36Å; L186-F190 HydrophobicContact CG-CB 3.66Å; L186-F190 HydrophobicContact CG-CD1 4.12Å; L186-F190 HydrophobicContact CG-CD2 4.2Å; L186-F190 HydrophobicContact CG-CG 3.73Å; P187-F190 WeakPolarHBondContact O-CB 3.23Å; P187-F190 VanDerWaalsContact O-CD1 3.23Å; P187-F190 WeakPolarHBondContact O-CD1 3.5Å; P187-F190 PolarHBondContact O-N 2.95Å; A188-F190 VanDerWaalsContact C-N 3.32Å; F190-V192 HydrophobicContact CD2-CG2 4.3Å; F190-V192 HydrophobicContact CE1-CG2 4.38Å; F190-V192 HydrophobicContact CE2-CB 4.29Å; F190-V192 HydrophobicContact CE2-CG2 3.72Å; F190-V192 HydrophobicContact CZ-CG2 3.78Å; F190-V192 PolarHBondContact O-N 3.06Å; F190-V192 VanDerWaalsContact O-N 3.14Å; F190-L195 HydrophobicContact CD2-CD2 4.35Å; F190-L195 HydrophobicContact CE2-CB 4.38Å; F190-L195 HydrophobicContact CE2-CD2 3.72Å
191	D	94	Very high	91.8	Very high	104 Å²	104	53.8 Å²	53.8	56%	0.556	30%	0.302	S	S	*	.			trans	-77.9	99.4	175.9	-174.7	-15.4	0	0	0	110.8	G193 R194 L195	D191-G193 PolarHBondContact O-N 3.02Å; D191-G193 VanDerWaalsContact OD1-CA 3.32Å; D191-G193 WeakPolarHBondContact OD1-CA 3.29Å; D191-G193 PolarHBondContact OD1-N 3.11Å; D191-R194 HydrophobicContact CB-CB 3.79Å; D191-R194 PolarHBondContact O-N 3.34Å; D191-R194 PolarHBondContact OD1-N 3.06Å; D191-L195 PolarHBondContact O-N 3.35Å; D191-L195 VanDerWaalsContact O-N 3.07Å
192	V	91.7	Very high	91.8	Very high	57 Å²	57	45.8 Å²	45.8	35%	0.345	26%	0.26	S	S	.	.	H	α-helix	trans	-60.9	-34.4	176.5	-177.5	0	0	0	0	111.9	L140 F190 K196	L140-V192 HydrophobicContact CD2-CG1 4.23Å; F190-V192 HydrophobicContact CD2-CG2 4.3Å; F190-V192 HydrophobicContact CE1-CG2 4.38Å; F190-V192 HydrophobicContact CE2-CB 4.29Å; F190-V192 HydrophobicContact CE2-CG2 3.72Å; F190-V192 HydrophobicContact CZ-CG2 3.78Å; F190-V192 PolarHBondContact O-N 3.06Å; F190-V192 VanDerWaalsContact O-N 3.14Å; V192-K196 HydrophobicContact CG1-CD 4.35Å; V192-K196 WeakPolarHBondContact O-CG 3.43Å; V192-K196 PolarHBondContact O-N 2.87Å
193	G	87.4	Confident	91.3	Very high	43 Å²	43	48.5 Å²	48.5	44%	0.443	26%	0.263	S	S	.	.	H	α-helix	trans	-65.5	-45.9	178.5	0	0	0	0	0	111.1	D191 K196 E197	D191-G193 PolarHBondContact O-N 3.02Å; D191-G193 VanDerWaalsContact OD1-CA 3.32Å; D191-G193 WeakPolarHBondContact OD1-CA 3.29Å; D191-G193 PolarHBondContact OD1-N 3.11Å; G193-K196 PolarHBondContact O-N 2.76Å; G193-E197 PolarHBondContact O-N 3.34Å
194	R	90.9	Very high	90.2	Very high	66 Å²	66	52.2 Å²	52.2	25%	0.249	29%	0.289	C	S	.	.	H	α-helix	trans	-60.7	-45.5	175.1	-178.5	56.2	175.3	170.4	-1.6	112.5	D110 S174 D191 K196 E197 L198	D110-R194 IonicContact OD1-CZ 3.91Å; D110-R194 IonicContact OD1-NH2 3.96Å; D110-R194 PolarHBondContact OD1-NH2 3.13Å; S174-R194 WeakPolarHBondContact O-CG 3.48Å; S174-R194 PolarHBondContact O-NE 3.2Å; D191-R194 HydrophobicContact CB-CB 3.79Å; D191-R194 PolarHBondContact O-N 3.34Å; D191-R194 PolarHBondContact OD1-N 3.06Å; R194-K196 VanDerWaalsContact C-N 3.33Å; R194-K196 PolarHBondContact O-N 3.04Å; R194-E197 IonicContact NH1-OE2 2.81Å; R194-E197 PolarHBondContact NH1-OE2 2.66Å; R194-E197 WeakPolarHBondContact O-CB 3.41Å; R194-E197 PolarHBondContact O-N 3.28Å; R194-L198 HydrophobicContact CG-CD1 4.39Å; R194-L198 PolarHBondContact O-N 2.68Å
195	L	94.4	Very high	89.1	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-62.4	-40.1	177.2	-176.2	63.6	0	0	0	111.9	I139 L140 A175 L186 F190 D191 F199	I139-L195 HydrophobicContact CB-CD2 4.13Å; I139-L195 HydrophobicContact CG2-CD2 3.56Å; L140-L195 HydrophobicContact CD1-CG 4.48Å; L140-L195 HydrophobicContact CD2-CD2 3.93Å; L140-L195 HydrophobicContact CD2-CG 4.21Å; L140-L195 HydrophobicContact CG-CD2 4Å; L140-L195 HydrophobicContact CG-CG 4.3Å; A175-L195 HydrophobicContact CB-CD1 3.88Å; L186-L195 HydrophobicContact CD2-CD2 4.48Å; F190-L195 HydrophobicContact CD2-CD2 4.35Å; F190-L195 HydrophobicContact CE2-CB 4.38Å; F190-L195 HydrophobicContact CE2-CD2 3.72Å; D191-L195 PolarHBondContact O-N 3.35Å; D191-L195 VanDerWaalsContact O-N 3.07Å; L195-F199 VanDerWaalsContact O-CB 3.27Å; L195-F199 WeakPolarHBondContact O-CB 3.26Å; L195-F199 PolarHBondContact O-N 3.11Å
196	K	89.7	Confident	87.5	Confident	114 Å²	114	53.7 Å²	53.7	50%	0.496	30%	0.297	S	S	.	.	H	α-helix	trans	-63.2	-41.7	175	-77.2	177	178.2	178.3	0	112.1	L140 V192 G193 R194 F199 I200	L140-K196 HydrophobicContact CD1-CG 4.2Å; L140-K196 HydrophobicContact CD2-CG 3.67Å; V192-K196 HydrophobicContact CG1-CD 4.35Å; V192-K196 WeakPolarHBondContact O-CG 3.43Å; V192-K196 PolarHBondContact O-N 2.87Å; G193-K196 PolarHBondContact O-N 2.76Å; R194-K196 VanDerWaalsContact C-N 3.33Å; R194-K196 PolarHBondContact O-N 3.04Å; K196-F199 PolarHBondContact O-N 2.91Å; K196-I200 VanDerWaalsContact O-CG1 3.29Å; K196-I200 WeakPolarHBondContact O-CG1 3.37Å; K196-I200 PolarHBondContact O-N 3.3Å
197	E	86.1	Confident	85.3	Confident	56 Å²	56	56.3 Å²	56.3	26%	0.262	32%	0.315	S	S	.	.	H	α-helix	trans	-60.6	-53.5	176.8	-174.6	-171.6	-162.2	0	0	111.1	G193 R194 F199 I200 Q201	G193-E197 PolarHBondContact O-N 3.34Å; R194-E197 IonicContact NH1-OE2 2.81Å; R194-E197 PolarHBondContact NH1-OE2 2.66Å; R194-E197 WeakPolarHBondContact O-CB 3.41Å; R194-E197 PolarHBondContact O-N 3.28Å; E197-F199 PolarHBondContact O-N 3.1Å; E197-I200 PolarHBondContact O-N 3.28Å; E197-I200 VanDerWaalsContact O-N 3.16Å; E197-Q201 WeakPolarHBondContact O-CG 3.29Å; E197-Q201 PolarHBondContact O-N 3.3Å
198	L	92.1	Very high	82.9	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-56.8	-40	176.6	-74.7	173.5	0	0	0	111.7	D110 F171 A175 R194 Q201 L202	D110-L198 HydrophobicContact CB-CD2 3.6Å; F171-L198 HydrophobicContact CD2-CD2 4.43Å; F171-L198 HydrophobicContact CE2-CB 3.71Å; F171-L198 HydrophobicContact CE2-CD2 4.27Å; F171-L198 HydrophobicContact CE2-CG 4.39Å; F171-L198 HydrophobicContact CZ-CB 3.86Å; A175-L198 HydrophobicContact CB-CD1 3.97Å; R194-L198 HydrophobicContact CG-CD1 4.39Å; R194-L198 PolarHBondContact O-N 2.68Å; L198-Q201 PolarHBondContact O-N 3.04Å; L198-L202 WeakPolarHBondContact O-CB 3.47Å; L198-L202 PolarHBondContact O-N 3.1Å
199	F	91.9	Very high	80.4	Confident	16 Å²	16	61 Å²	61	7%	0.07	34%	0.339	C	S	.	.	H	α-helix	trans	-67.2	-39.4	178.7	-171.2	-143.2	0	0	0	112.7	H133 C136 D137 L140 L195 K196 E197 Q201 L202 R203	H133-F199 HydrophobicContact CB-CE2 4.29Å; H133-F199 AromaticContact CD2-CE2 3.47Å; H133-F199 VanDerWaalsContact CD2-CE2 3.47Å; H133-F199 WeakPolarHBondContact CD2-CE2 3.36Å; H133-F199 AromaticContact CD2-CZ 3.95Å; H133-F199 AromaticContact CE1-CE2 4Å; H133-F199 AromaticContact CE1-CZ 3.75Å; H133-F199 AromaticContact CG-CE2 3.7Å; H133-F199 AromaticContact NE2-CE2 3.68Å; H133-F199 AromaticContact NE2-CZ 3.64Å; C136-F199 HydrophobicContact CB-CB 4.1Å; C136-F199 HydrophobicContact CB-CD1 4.24Å; C136-F199 HydrophobicContact CB-CD2 3.32Å; C136-F199 HydrophobicContact CB-CE1 4.48Å; C136-F199 HydrophobicContact CB-CE2 3.64Å; C136-F199 HydrophobicContact CB-CG 3.65Å; C136-F199 HydrophobicContact CB-CZ 4.21Å; D137-F199 HydrophobicContact CB-CZ 3.97Å; L140-F199 HydrophobicContact CD1-CB 4.1Å; L140-F199 HydrophobicContact CD1-CD1 3.36Å; L140-F199 HydrophobicContact CD1-CE1 4.01Å; L140-F199 HydrophobicContact CD1-CG 4.01Å; L195-F199 VanDerWaalsContact O-CB 3.27Å; L195-F199 WeakPolarHBondContact O-CB 3.26Å; L195-F199 PolarHBondContact O-N 3.11Å; K196-F199 PolarHBondContact O-N 2.91Å; E197-F199 PolarHBondContact O-N 3.1Å; F199-Q201 VanDerWaalsContact C-N 3.35Å; F199-L202 HydrophobicContact CD2-CD2 4.35Å; F199-L202 PolarHBondContact O-N 2.68Å; F199-R203 HydrophobicContact CD2-CG 4.27Å; F199-R203 HydrophobicContact CE2-CG 4.1Å; F199-R203 WeakPolarHBondContact O-CB 3.32Å; F199-R203 VanDerWaalsContact O-CG 3.32Å; F199-R203 WeakPolarHBondContact O-CG 3.33Å; F199-R203 PolarHBondContact O-N 3.45Å
200	I	82.7	Confident	77.8	Confident	103 Å²	103	59.4 Å²	59.4	53%	0.528	33%	0.333	S	S	.	.	H	α-helix	trans	-61.9	-44.6	172.8	-70.1	164	0	0	0	110.3	K196 E197 R203 S204	K196-I200 VanDerWaalsContact O-CG1 3.29Å; K196-I200 WeakPolarHBondContact O-CG1 3.37Å; K196-I200 PolarHBondContact O-N 3.3Å; E197-I200 PolarHBondContact O-N 3.28Å; E197-I200 VanDerWaalsContact O-N 3.16Å; I200-R203 PolarHBondContact O-N 2.95Å; I200-S204 PolarHBondContact O-N 2.77Å
201	Q	86.6	Confident	75.3	Confident	6 Å²	6	63.2 Å²	63.2	3%	0.028	36%	0.358	C	S	.	.	H	α-helix	trans	-63.4	-45.3	178.1	-66.3	-177.3	17.6	0	0	111.8	S108 L109 I113 E197 L198 F199 R203 S204 C205	S108-Q201 PolarHBondContact O-NE2 2.9Å; L109-Q201 HydrophobicContact CD2-CB 4.04Å; L109-Q201 HydrophobicContact CD2-CG 4.24Å; I113-Q201 HydrophobicContact CG1-CB 4.2Å; E197-Q201 WeakPolarHBondContact O-CG 3.29Å; E197-Q201 PolarHBondContact O-N 3.3Å; L198-Q201 PolarHBondContact O-N 3.04Å; F199-Q201 VanDerWaalsContact C-N 3.35Å; Q201-R203 VanDerWaalsContact C-N 3.32Å; Q201-R203 PolarHBondContact O-N 3.43Å; Q201-S204 PolarHBondContact O-N 2.94Å; Q201-S204 VanDerWaalsContact O-N 3.13Å; Q201-S204 PolarHBondContact O-OG 2.87Å; Q201-C205 PolarHBondContact O-N 3.38Å; Q201-C205 PolarHBondContact O-SG 3.33Å; Q201-C205 VanDerWaalsContact O-SG 3.38Å
202	L	88.5	Confident	72.7	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-56.2	-46.2	174.6	-169.6	78.2	0	0	0	111.2	I113 L116 Y129 L132 H133 F171 L198 F199 S204 C205 L206	I113-L202 HydrophobicContact CD1-CB 3.99Å; I113-L202 HydrophobicContact CD1-CD1 3.61Å; I113-L202 HydrophobicContact CD1-CG 4.44Å; L116-L202 HydrophobicContact CD1-CD1 4.08Å; Y129-L202 HydrophobicContact CD1-CD1 3.39Å; Y129-L202 HydrophobicContact CD1-CG 3.86Å; Y129-L202 HydrophobicContact CE1-CD1 3.69Å; Y129-L202 HydrophobicContact CE1-CG 4.33Å; L132-L202 HydrophobicContact CB-CD1 4.18Å; L132-L202 HydrophobicContact CB-CD2 3.68Å; L132-L202 HydrophobicContact CD1-CD1 4.05Å; H133-L202 HydrophobicContact CB-CD2 4.13Å; F171-L202 HydrophobicContact CE2-CB 4.34Å; F171-L202 HydrophobicContact CE2-CD1 4.22Å; F171-L202 HydrophobicContact CZ-CD2 4.38Å; L198-L202 WeakPolarHBondContact O-CB 3.47Å; L198-L202 PolarHBondContact O-N 3.1Å; F199-L202 HydrophobicContact CD2-CD2 4.35Å; F199-L202 PolarHBondContact O-N 2.68Å; L202-S204 VanDerWaalsContact C-N 3.33Å; L202-S204 PolarHBondContact O-N 3.29Å; L202-C205 PolarHBondContact O-N 2.93Å; L202-L206 PolarHBondContact O-N 3.26Å
203	R	81.6	Confident	70.7	Confident	145 Å²	145	67.3 Å²	67.3	55%	0.547	37%	0.37	S	S	.	.	H	α-helix	trans	-66.4	-33.1	177.3	-73.2	180	72.2	175.2	5.2	113.3	F199 I200 Q201 C205	F199-R203 HydrophobicContact CD2-CG 4.27Å; F199-R203 HydrophobicContact CE2-CG 4.1Å; F199-R203 WeakPolarHBondContact O-CB 3.32Å; F199-R203 VanDerWaalsContact O-CG 3.32Å; F199-R203 WeakPolarHBondContact O-CG 3.33Å; F199-R203 PolarHBondContact O-N 3.45Å; I200-R203 PolarHBondContact O-N 2.95Å; Q201-R203 VanDerWaalsContact C-N 3.32Å; Q201-R203 PolarHBondContact O-N 3.43Å; R203-C205 VanDerWaalsContact C-N 3.27Å
204	S	70.9	Confident	68.8	Low	78 Å²	78	69.7 Å²	69.7	55%	0.545	37%	0.373	S	S	.	.	H	α-helix	trans	-71.9	-23	175.4	75.7	0	0	0	0	113.2	I200 Q201 L202	I200-S204 PolarHBondContact O-N 2.77Å; Q201-S204 PolarHBondContact O-N 2.94Å; Q201-S204 VanDerWaalsContact O-N 3.13Å; Q201-S204 PolarHBondContact O-OG 2.87Å; L202-S204 VanDerWaalsContact C-N 3.33Å; L202-S204 PolarHBondContact O-N 3.29Å
205	C	72.3	Confident	66.9	Low	25 Å²	25	74.3 Å²	74.3	17%	0.169	40%	0.397	C	S	.	.	H	α-helix	trans	-100.2	-14.5	-179.9	-63.3	0	0	0	0	114.3	I113 Y129 Q201 L202 R203	I113-C205 HydrophobicContact CG2-CB 3.98Å; I113-C205 WeakPolarHBondContact CG2-SG 3.33Å; Y129-C205 HydrophobicContact CE1-CB 3.75Å; Y129-C205 VanDerWaalsContact OH-CB 3.24Å; Y129-C205 WeakPolarHBondContact OH-CB 3.35Å; Q201-C205 PolarHBondContact O-N 3.38Å; Q201-C205 PolarHBondContact O-SG 3.33Å; Q201-C205 VanDerWaalsContact O-SG 3.38Å; L202-C205 PolarHBondContact O-N 2.93Å; R203-C205 VanDerWaalsContact C-N 3.27Å
206	L	64.3	Low	65	Low	47 Å²	47	79.4 Å²	79.4	25%	0.246	43%	0.425	C	S	.	.	S	Bend	trans	-47.3	132.2	159.7	-84.7	171.4	0	0	0	107	Y129 L202 V208	Y129-L206 VanDerWaalsContact CB-CD2 3.5Å; Y129-L206 HydrophobicContact CD1-CD2 4.34Å; Y129-L206 HydrophobicContact CD1-CG 4.37Å; Y129-L206 HydrophobicContact CG-CD2 3.95Å; Y129-L206 HydrophobicContact CG-CG 4.46Å; L202-L206 PolarHBondContact O-N 3.26Å; L206-V208 PolarHBondContact O-N 2.98Å
207	P	50.4	Low	63.7	Low	56 Å²	56	76.2 Å²	76.2	36%	0.364	42%	0.416	S	S	.	.			trans	-61.8	92.4	174.2	24.2	-30.1	0	0	0	107.8	L126 S209	L126-P207 HydrophobicContact CD1-CG 4.08Å; P207-S209 PolarHBondContact O-N 3.44Å
208	V	45.8	Very low	62.8	Low	114 Å²	114	74.8 Å²	74.8	69%	0.691	41%	0.41	S	S	*	.			trans	-69	73	154.7	-178.9	0	0	0	0	103.8	L206 S210	L206-V208 PolarHBondContact O-N 2.98Å; V208-S210 PolarHBondContact O-N 2.89Å
209	S	39.4	Very low	62.1	Low	90 Å²	90	81.2 Å²	81.2	63%	0.629	44%	0.441	S	S	*	.			trans	17.4	62.7	179.2	51.4	0	0	0	0	112.5	P207 V211	P207-S209 PolarHBondContact O-N 3.44Å; S209-V211 CarbonylContact O-C 3.56Å; S209-V211 PolarHBondContact O-N 3.43Å; S209-V211 VanDerWaalsContact O-O 3.08Å
210	S	38.1	Very low	61.7	Low	101 Å²	101	82.7 Å²	82.7	71%	0.706	45%	0.449	S	S	*	.			trans	-80.1	32.9	171.4	62.4	0	0	0	0	109.3	V208 K212	V208-S210 PolarHBondContact O-N 2.89Å; S210-K212 PolarHBondContact O-N 3.26Å
211	V	43.2	Very low	62	Low	105 Å²	105	84.8 Å²	84.8	64%	0.636	45%	0.45	S	S	*	.			trans	-48.6	90.8	130.5	-164.8	0	0	0	0	104.1	S209 V213	S209-V211 CarbonylContact O-C 3.56Å; S209-V211 PolarHBondContact O-N 3.43Å; S209-V211 VanDerWaalsContact O-O 3.08Å; V211-V213 HydrophobicContact CB-CG2 4.04Å; V211-V213 HydrophobicContact CG1-CB 4.36Å; V211-V213 HydrophobicContact CG1-CG2 3.56Å; V211-V213 PolarHBondContact O-N 2.9Å
212	K	39.2	Very low	62	Low	197 Å²	197	89.6 Å²	89.6	86%	0.857	48%	0.484	S	S	*	.			trans	-58.4	80.2	149.6	-72.2	-175.3	179.9	179.9	0	102.9	S210 N214	S210-K212 PolarHBondContact O-N 3.26Å; K212-N214 PolarHBondContact O-N 2.96Å
213	V	48.6	Very low	62	Low	50 Å²	50	93.1 Å²	93.1	30%	0.303	51%	0.509	S	S	.	.			trans	-58.6	110.2	162.1	-165.5	0	0	0	0	100.1	V211 Q215 L218	V211-V213 HydrophobicContact CB-CG2 4.04Å; V211-V213 HydrophobicContact CG1-CB 4.36Å; V211-V213 HydrophobicContact CG1-CG2 3.56Å; V211-V213 PolarHBondContact O-N 2.9Å; V213-Q215 PolarHBondContact O-N 3.08Å; V213-L218 HydrophobicContact CB-CD1 3.69Å; V213-L218 HydrophobicContact CB-CG 4.03Å; V213-L218 HydrophobicContact CG1-CD1 3.68Å; V213-L218 HydrophobicContact CG1-CD2 3.76Å; V213-L218 HydrophobicContact CG1-CG 3.42Å; V213-L218 VanDerWaalsContact CG1-CG 3.42Å; V213-L218 HydrophobicContact CG2-CD1 4.38Å
214	N	48.5	Very low	62.6	Low	93 Å²	93	86.4 Å²	86.4	50%	0.497	48%	0.484	S	S	.	.			trans	-48.9	123.2	-176.1	-172.1	7.3	0	0	0	105.6	K212 D216 S217 L218	K212-N214 PolarHBondContact O-N 2.96Å; N214-D216 PolarHBondContact O-N 3.47Å; N214-D216 VanDerWaalsContact O-N 3.11Å; N214-S217 WeakPolarHBondContact CB-OG 3.41Å; N214-S217 PolarHBondContact N-OG 3.24Å; N214-S217 VanDerWaalsContact O-CA 3.32Å; N214-S217 WeakPolarHBondContact O-CA 3.48Å; N214-S217 WeakPolarHBondContact O-CB 3.49Å; N214-S217 PolarHBondContact O-N 2.57Å; N214-S217 PolarHBondContact O-OG 2.92Å; N214-L218 PolarHBondContact O-N 3.29Å
215	Q	51.5	Low	63.5	Low	163 Å²	163	86.4 Å²	86.4	76%	0.762	48%	0.477	S	S	*	.	H	α-helix	trans	-56.5	-34.3	-174.4	-88.8	177.6	-36.7	0	0	109.7	V213 S217 L218 E219	V213-Q215 PolarHBondContact O-N 3.08Å; Q215-S217 VanDerWaalsContact C-N 3.26Å; Q215-S217 PolarHBondContact O-N 3.18Å; Q215-L218 PolarHBondContact O-N 3.41Å; Q215-E219 PolarHBondContact O-N 3.05Å; Q215-E219 VanDerWaalsContact O-N 3.14Å
216	D	54	Low	64.4	Low	109 Å²	109	88.2 Å²	88.2	58%	0.583	49%	0.491	S	S	*	.	H	α-helix	trans	-55.9	-35.1	169.5	-52.7	-13.1	0	0	0	113.4	N214 L218	N214-D216 PolarHBondContact O-N 3.47Å; N214-D216 VanDerWaalsContact O-N 3.11Å; D216-L218 VanDerWaalsContact C-N 3.34Å
217	S	61.7	Low	65.8	Low	46 Å²	46	86.3 Å²	86.3	32%	0.322	48%	0.48	S	S	.	.	H	α-helix	trans	-76.7	-18.3	177.2	67.7	0	0	0	0	113.9	N214 Q215 R487	N214-S217 WeakPolarHBondContact CB-OG 3.41Å; N214-S217 PolarHBondContact N-OG 3.24Å; N214-S217 VanDerWaalsContact O-CA 3.32Å; N214-S217 WeakPolarHBondContact O-CA 3.48Å; N214-S217 WeakPolarHBondContact O-CB 3.49Å; N214-S217 PolarHBondContact O-N 2.57Å; N214-S217 PolarHBondContact O-OG 2.92Å; Q215-S217 VanDerWaalsContact C-N 3.26Å; Q215-S217 PolarHBondContact O-N 3.18Å; S217-R487 PolarHBondContact O-NH1 2.8Å
218	L	68.2	Low	67.9	Low	26 Å²	26	84.2 Å²	84.2	14%	0.136	47%	0.466	C	S	.	.	H	α-helix	trans	-95.8	-6.8	173.5	-73	173.5	0	0	0	113.6	V213 N214 Q215 D216 L220 V490 Y493	V213-L218 HydrophobicContact CB-CD1 3.69Å; V213-L218 HydrophobicContact CB-CG 4.03Å; V213-L218 HydrophobicContact CG1-CD1 3.68Å; V213-L218 HydrophobicContact CG1-CD2 3.76Å; V213-L218 HydrophobicContact CG1-CG 3.42Å; V213-L218 VanDerWaalsContact CG1-CG 3.42Å; V213-L218 HydrophobicContact CG2-CD1 4.38Å; N214-L218 PolarHBondContact O-N 3.29Å; Q215-L218 PolarHBondContact O-N 3.41Å; D216-L218 VanDerWaalsContact C-N 3.34Å; L218-L220 PolarHBondContact O-N 3.02Å; L218-V490 HydrophobicContact CD2-CG2 4.36Å; L218-Y493 HydrophobicContact CD1-CD1 3.94Å; L218-Y493 HydrophobicContact CD1-CD2 3.84Å; L218-Y493 HydrophobicContact CD1-CE1 3.86Å; L218-Y493 HydrophobicContact CD1-CE2 3.73Å; L218-Y493 HydrophobicContact CD1-CG 3.93Å; L218-Y493 HydrophobicContact CD2-CD1 3.85Å; L218-Y493 HydrophobicContact CD2-CD2 4.27Å; L218-Y493 HydrophobicContact CD2-CG 3.69Å; L218-Y493 HydrophobicContact CG-CD1 4.49Å; L218-Y493 HydrophobicContact CG-CG 4.49Å
219	E	77.4	Confident	70.1	Confident	135 Å²	135	82.2 Å²	82.2	63%	0.631	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-56.4	125.4	170.2	-71.2	-168.6	164	0	0	109.4	Q215 R487	Q215-E219 PolarHBondContact O-N 3.05Å; Q215-E219 VanDerWaalsContact O-N 3.14Å; E219-R487 PolarHBondContact O-NH2 3.12Å
220	L	84	Confident	72.6	Confident	48 Å²	48	83.4 Å²	83.4	25%	0.251	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-76.1	126.4	-179.9	-72.4	168.2	0	0	0	108.9	L218 E224 L225 V228 I486 V490	L218-L220 PolarHBondContact O-N 3.02Å; L220-E224 HydrophobicContact CB-CB 4.41Å; L220-E224 HydrophobicContact CD2-CB 3.72Å; L220-L225 HydrophobicContact CB-CB 4.16Å; L220-L225 HydrophobicContact CD1-CD1 3.88Å; L220-V228 HydrophobicContact CD1-CB 4.38Å; L220-V228 HydrophobicContact CD1-CG1 4.49Å; L220-V228 HydrophobicContact CD1-CG2 4.19Å; L220-V228 HydrophobicContact CD2-CG2 3.97Å; L220-I486 HydrophobicContact CD2-CD1 4.38Å; L220-V490 HydrophobicContact CD2-CG1 3.61Å
221	R	88.8	Confident	75.2	Confident	147 Å²	147	78.7 Å²	78.7	56%	0.555	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-63.6	157.5	163.7	-59.6	166.2	-176.8	175.8	-1.7	108.9	S223 E224 L225	R221-S223 VanDerWaalsContact C-N 3.27Å; R221-S223 PolarHBondContact O-N 3.39Å; R221-E224 HydrophobicContact CB-CB 4.39Å; R221-E224 HydrophobicContact CB-CG 4Å; R221-E224 WeakPolarHBondContact CB-OE2 3.49Å; R221-E224 WeakPolarHBondContact CG-OE2 3.06Å; R221-E224 PolarHBondContact N-OE2 2.82Å; R221-E224 CarbonylContact O-C 3.59Å; R221-E224 WeakPolarHBondContact O-CA 3.49Å; R221-E224 WeakPolarHBondContact O-CB 3.15Å; R221-E224 PolarHBondContact O-N 2.67Å; R221-L225 PolarHBondContact O-N 3.1Å
222	S	85.9	Confident	77.7	Confident	106 Å²	106	76.7 Å²	76.7	74%	0.741	40%	0.395	S	S	*	.	H	α-helix	trans	-54.4	-40.6	179.8	54.8	0	0	0	0	113.5	L225 S226	S222-L225 PolarHBondContact O-N 3.02Å; S222-S226 PolarHBondContact O-N 2.99Å
223	S	88.9	Confident	80.1	Confident	75 Å²	75	73.2 Å²	73.2	52%	0.524	38%	0.382	S	S	.	.	H	α-helix	trans	-67.1	-38.8	175.4	58.8	0	0	0	0	112.9	R221 S226 F227	R221-S223 VanDerWaalsContact C-N 3.27Å; R221-S223 PolarHBondContact O-N 3.39Å; S223-S226 PolarHBondContact O-N 3.04Å; S223-F227 PolarHBondContact O-N 2.83Å; S223-F227 VanDerWaalsContact O-N 3.09Å
224	E	93.3	Very high	82.1	Confident	3 Å²	3	73.5 Å²	73.5	1%	0.014	38%	0.378	C	S	.	.	H	α-helix	trans	-69.1	-38.3	177	-60.1	178	141.3	0	0	110.9	L220 R221 S226 F227 V228 I486 R487	L220-E224 HydrophobicContact CB-CB 4.41Å; L220-E224 HydrophobicContact CD2-CB 3.72Å; R221-E224 HydrophobicContact CB-CB 4.39Å; R221-E224 HydrophobicContact CB-CG 4Å; R221-E224 WeakPolarHBondContact CB-OE2 3.49Å; R221-E224 WeakPolarHBondContact CG-OE2 3.06Å; R221-E224 PolarHBondContact N-OE2 2.82Å; R221-E224 CarbonylContact O-C 3.59Å; R221-E224 WeakPolarHBondContact O-CA 3.49Å; R221-E224 WeakPolarHBondContact O-CB 3.15Å; R221-E224 PolarHBondContact O-N 2.67Å; E224-S226 VanDerWaalsContact C-N 3.34Å; E224-F227 WeakPolarHBondContact O-CB 3.35Å; E224-F227 PolarHBondContact O-N 2.8Å; E224-V228 WeakPolarHBondContact O-CG2 3.47Å; E224-V228 PolarHBondContact O-N 3.3Å; E224-I486 HydrophobicContact CB-CD1 4.4Å; E224-I486 HydrophobicContact CB-CG1 4.21Å; E224-I486 HydrophobicContact CG-CB 4.39Å; E224-I486 HydrophobicContact CG-CG1 4.11Å; E224-R487 WeakPolarHBondContact OE1-CG 3.34Å; E224-R487 IonicContact OE1-CZ 3.82Å; E224-R487 PolarHBondContact OE1-N 3.36Å; E224-R487 IonicContact OE1-NE 3.65Å; E224-R487 PolarHBondContact OE1-NE 2.72Å; E224-R487 IonicContact OE1-NH2 3.51Å; E224-R487 IonicContact OE2-CZ 3.75Å; E224-R487 IonicContact OE2-NE 3.72Å; E224-R487 IonicContact OE2-NH2 3.78Å; E224-R487 PolarHBondContact OE2-NH2 3.38Å
225	L	90.5	Very high	84.3	Confident	78 Å²	78	70 Å²	70	41%	0.408	36%	0.357	S	S	.	.	H	α-helix	trans	-62.1	-42.2	173.9	-178.1	62.5	0	0	0	111.2	L220 R221 S222 F227 V228 N229	L220-L225 HydrophobicContact CB-CB 4.16Å; L220-L225 HydrophobicContact CD1-CD1 3.88Å; R221-L225 PolarHBondContact O-N 3.1Å; S222-L225 PolarHBondContact O-N 3.02Å; L225-F227 VanDerWaalsContact C-N 3.34Å; L225-F227 PolarHBondContact O-N 3.01Å; L225-V228 PolarHBondContact O-N 3.48Å; L225-N229 WeakPolarHBondContact O-CB 3.4Å; L225-N229 PolarHBondContact O-N 3.07Å; L225-N229 PolarHBondContact O-OD1 3.16Å
226	S	91.5	Very high	86	Confident	64 Å²	64	65.1 Å²	65.1	45%	0.448	34%	0.341	S	S	.	.	H	α-helix	trans	-61.6	-41.3	174.1	-179.6	0	0	0	0	112.3	S222 S223 E224 R230	S222-S226 PolarHBondContact O-N 2.99Å; S223-S226 PolarHBondContact O-N 3.04Å; E224-S226 VanDerWaalsContact C-N 3.34Å; S226-R230 WeakPolarHBondContact O-CB 3.45Å; S226-R230 PolarHBondContact O-N 2.93Å; S226-R230 VanDerWaalsContact O-N 3.1Å
227	F	94	Very high	87.7	Confident	6 Å²	6	61.9 Å²	61.9	3%	0.026	32%	0.322	C	S	.	.	H	α-helix	trans	-61.6	-49	174.5	178.9	-90	0	0	0	111.7	S223 E224 L225 R230 L231 W393 Y439 M441 M485 I486 L491	S223-F227 PolarHBondContact O-N 2.83Å; S223-F227 VanDerWaalsContact O-N 3.09Å; E224-F227 WeakPolarHBondContact O-CB 3.35Å; E224-F227 PolarHBondContact O-N 2.8Å; L225-F227 VanDerWaalsContact C-N 3.34Å; L225-F227 PolarHBondContact O-N 3.01Å; F227-R230 PolarHBondContact O-N 2.74Å; F227-L231 WeakPolarHBondContact O-CB 3.4Å; F227-L231 PolarHBondContact O-N 3.44Å; F227-W393 AromaticContact CD2-NE1 3.98Å; F227-W393 AromaticContact CE2-NE1 3.66Å; F227-Y439 HydrophobicContact CE2-CD1 4.29Å; F227-Y439 HydrophobicContact CE2-CD2 4.26Å; F227-Y439 HydrophobicContact CE2-CE1 4.49Å; F227-Y439 HydrophobicContact CE2-CE2 4.49Å; F227-Y439 HydrophobicContact CE2-CG 4.16Å; F227-Y439 AromaticContact CZ-CD1 3.92Å; F227-Y439 HydrophobicContact CZ-CD1 3.92Å; F227-Y439 HydrophobicContact CZ-CE1 4.17Å; F227-Y439 HydrophobicContact CZ-CG 4.18Å; F227-M441 HydrophobicContact CE1-CE 4.39Å; F227-M441 HydrophobicContact CZ-CE 3.92Å; F227-M485 HydrophobicContact CD2-CB 3.78Å; F227-M485 HydrophobicContact CD2-CE 3.75Å; F227-M485 HydrophobicContact CD2-CG 4.48Å; F227-M485 HydrophobicContact CD2-SD 3.93Å; F227-M485 HydrophobicContact CE2-CB 4.2Å; F227-M485 HydrophobicContact CE2-CE 4.33Å; F227-M485 HydrophobicContact CE2-SD 4Å; F227-M485 HydrophobicContact CG-CB 4.41Å; F227-I486 HydrophobicContact CD1-CB 4.14Å; F227-I486 HydrophobicContact CD1-CD1 4.09Å; F227-I486 HydrophobicContact CD1-CG2 3.89Å; F227-I486 HydrophobicContact CE1-CG2 3.77Å; F227-I486 HydrophobicContact CG-CG2 4.47Å; F227-I486 HydrophobicContact CZ-CG2 4.23Å; F227-L491 HydrophobicContact CE1-CD1 4.02Å
228	V	93.7	Very high	89.3	Confident	12 Å²	12	59.7 Å²	59.7	7%	0.073	31%	0.307	C	S	.	.	H	α-helix	trans	-63.6	-42	179.6	171.7	0	0	0	0	111.5	L220 E224 L225 R230 L231 L232 I486	L220-V228 HydrophobicContact CD1-CB 4.38Å; L220-V228 HydrophobicContact CD1-CG1 4.49Å; L220-V228 HydrophobicContact CD1-CG2 4.19Å; L220-V228 HydrophobicContact CD2-CG2 3.97Å; E224-V228 WeakPolarHBondContact O-CG2 3.47Å; E224-V228 PolarHBondContact O-N 3.3Å; L225-V228 PolarHBondContact O-N 3.48Å; V228-R230 PolarHBondContact O-N 2.74Å; V228-L231 WeakPolarHBondContact O-CB 3.28Å; V228-L231 PolarHBondContact O-N 3.35Å; V228-L232 HydrophobicContact CG1-CD1 3.97Å; V228-L232 HydrophobicContact CG1-CG 4.41Å; V228-L232 VanDerWaalsContact O-CG 3.31Å; V228-L232 WeakPolarHBondContact O-CG 3.31Å; V228-L232 PolarHBondContact O-N 2.87Å; V228-I486 HydrophobicContact CG2-CD1 3.86Å
229	N	91.1	Very high	90.6	Very high	73 Å²	73	59.5 Å²	59.5	39%	0.39	31%	0.307	S	S	.	.	H	α-helix	trans	-61.3	-46.8	177.6	-72.6	-10.3	0	0	0	111.1	L225 L231 L232 E233	L225-N229 WeakPolarHBondContact O-CB 3.4Å; L225-N229 PolarHBondContact O-N 3.07Å; L225-N229 PolarHBondContact O-OD1 3.16Å; N229-L231 VanDerWaalsContact C-N 3.32Å; N229-L231 PolarHBondContact O-N 2.89Å; N229-L232 PolarHBondContact O-N 3.38Å; N229-L232 VanDerWaalsContact O-N 3.16Å; N229-E233 WeakPolarHBondContact O-CG 3.32Å; N229-E233 PolarHBondContact O-N 2.75Å
230	R	91.9	Very high	91.4	Very high	114 Å²	114	55.5 Å²	55.5	43%	0.43	29%	0.29	S	S	.	.	H	α-helix	trans	-61.3	-42.2	176	-171.7	179.7	-62.7	173	1.7	111.8	S226 F227 V228 L232 E233 Y234 W393	S226-R230 WeakPolarHBondContact O-CB 3.45Å; S226-R230 PolarHBondContact O-N 2.93Å; S226-R230 VanDerWaalsContact O-N 3.1Å; F227-R230 PolarHBondContact O-N 2.74Å; V228-R230 PolarHBondContact O-N 2.74Å; R230-L232 VanDerWaalsContact C-N 3.27Å; R230-L232 PolarHBondContact O-N 3.42Å; R230-E233 PolarHBondContact O-N 2.93Å; R230-Y234 HydrophobicContact CG-CD2 4.44Å; R230-Y234 HydrophobicContact CG-CE2 3.88Å; R230-Y234 WeakPolarHBondContact O-CD2 3.48Å; R230-W393 HydrophobicContact CG-CZ2 4.46Å
231	L	94.4	Very high	92	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.01	28%	0.278	C	S	.	.	H	α-helix	trans	-55.8	-44.2	175.7	-172.9	75.8	0	0	0	111	F227 V228 N229 W393 M441 Y443 I465 L495 I498	F227-L231 WeakPolarHBondContact O-CB 3.4Å; F227-L231 PolarHBondContact O-N 3.44Å; V228-L231 WeakPolarHBondContact O-CB 3.28Å; V228-L231 PolarHBondContact O-N 3.35Å; N229-L231 VanDerWaalsContact C-N 3.32Å; N229-L231 PolarHBondContact O-N 2.89Å; L231-W393 HydrophobicContact CD1-CH2 4Å; L231-W393 HydrophobicContact CD1-CZ2 4.4Å; L231-M441 HydrophobicContact CD1-CB 4.03Å; L231-M441 HydrophobicContact CD1-CE 4.22Å; L231-M441 HydrophobicContact CD1-CG 3.51Å; L231-M441 HydrophobicContact CD1-SD 3.95Å; L231-Y443 VanDerWaalsContact O-CE1 3.25Å; L231-Y443 WeakPolarHBondContact O-CE1 3.46Å; L231-Y443 PolarHBondContact O-OH 3.48Å; L231-I465 HydrophobicContact CD1-CG2 3.93Å; L231-I465 HydrophobicContact CD2-CG2 4.42Å; L231-I465 HydrophobicContact CG-CD1 4.18Å; L231-I465 HydrophobicContact CG-CG2 4.22Å; L231-L495 HydrophobicContact CD2-CD2 4.41Å; L231-I498 HydrophobicContact CD2-CD1 4.38Å
232	L	94.5	Very high	92.3	Very high	64 Å²	64	46.4 Å²	46.4	34%	0.335	25%	0.252	S	S	.	.	H	α-helix	trans	-75.3	-34.1	-179.4	-66.4	173.6	0	0	0	113.3	V228 N229 R230 Y234 R235 I465 I498	V228-L232 HydrophobicContact CG1-CD1 3.97Å; V228-L232 HydrophobicContact CG1-CG 4.41Å; V228-L232 VanDerWaalsContact O-CG 3.31Å; V228-L232 WeakPolarHBondContact O-CG 3.31Å; V228-L232 PolarHBondContact O-N 2.87Å; N229-L232 PolarHBondContact O-N 3.38Å; N229-L232 VanDerWaalsContact O-N 3.16Å; R230-L232 VanDerWaalsContact C-N 3.27Å; R230-L232 PolarHBondContact O-N 3.42Å; L232-Y234 VanDerWaalsContact C-N 3.28Å; L232-Y234 PolarHBondContact O-N 2.79Å; L232-R235 VanDerWaalsContact O-CB 3.28Å; L232-R235 WeakPolarHBondContact O-CB 3.49Å; L232-R235 WeakPolarHBondContact O-CG 3.35Å; L232-R235 PolarHBondContact O-N 2.98Å; L232-R235 VanDerWaalsContact O-N 3.08Å; L232-I465 HydrophobicContact CD2-CD1 4.32Å; L232-I498 HydrophobicContact CD2-CD1 4.19Å
233	E	90	Very high	92.7	Very high	123 Å²	123	44.1 Å²	44.1	58%	0.575	23%	0.232	S	C	*	.	H	α-helix	trans	-57.1	-39.6	179.1	-80.6	167	-169.7	0	0	112.3	N229 R230 R235 S236	N229-E233 WeakPolarHBondContact O-CG 3.32Å; N229-E233 PolarHBondContact O-N 2.75Å; R230-E233 PolarHBondContact O-N 2.93Å; E233-R235 PolarHBondContact O-N 3.21Å; E233-R235 VanDerWaalsContact O-N 3.13Å; E233-S236 WeakPolarHBondContact O-CB 3.47Å; E233-S236 PolarHBondContact O-N 2.94Å; E233-S236 PolarHBondContact O-OG 2.61Å
234	Y	90.9	Very high	92.9	Very high	56 Å²	56	42.8 Å²	42.8	22%	0.22	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-19.6	178	-78.2	-69.2	0	0	0	114.3	R230 L232 S236 F237 M391 W393 Y443	R230-Y234 HydrophobicContact CG-CD2 4.44Å; R230-Y234 HydrophobicContact CG-CE2 3.88Å; R230-Y234 WeakPolarHBondContact O-CD2 3.48Å; L232-Y234 VanDerWaalsContact C-N 3.28Å; L232-Y234 PolarHBondContact O-N 2.79Å; Y234-S236 PolarHBondContact O-N 3.34Å; Y234-F237 AromaticContact CD1-CD2 3.47Å; Y234-F237 HydrophobicContact CD1-CD2 3.47Å; Y234-F237 VanDerWaalsContact CD1-CD2 3.47Å; Y234-F237 AromaticContact CD1-CE2 3.45Å; Y234-F237 HydrophobicContact CD1-CE2 3.45Å; Y234-F237 VanDerWaalsContact CD1-CE2 3.45Å; Y234-F237 AromaticContact CE1-CD2 3.97Å; Y234-F237 HydrophobicContact CE1-CD2 3.97Å; Y234-F237 AromaticContact CE1-CE2 3.52Å; Y234-F237 HydrophobicContact CE1-CE2 3.52Å; Y234-F237 WeakPolarHBondContact O-CB 3.48Å; Y234-F237 PolarHBondContact O-N 3.15Å; Y234-M391 HydrophobicContact CD1-CE 4.04Å; Y234-M391 HydrophobicContact CD1-CG 4.38Å; Y234-M391 HydrophobicContact CD1-SD 4.16Å; Y234-M391 HydrophobicContact CE1-CE 3.36Å; Y234-M391 HydrophobicContact CE1-SD 4.05Å; Y234-M391 HydrophobicContact CE2-CE 4.31Å; Y234-W393 HydrophobicContact CD2-CH2 4.01Å; Y234-W393 HydrophobicContact CD2-CZ2 4.46Å; Y234-W393 AromaticContact CE2-CH2 4Å; Y234-W393 HydrophobicContact CE2-CH2 4Å; Y234-W393 HydrophobicContact CE2-CZ2 4.19Å; Y234-Y443 VanDerWaalsContact CB-CE1 3.47Å; Y234-Y443 WeakPolarHBondContact CB-OH 3.31Å
235	R	94.3	Very high	93.1	Very high	19 Å²	19	48.8 Å²	48.8	7%	0.072	25%	0.247	C	C	.	.	H	α-helix	trans	-58.6	-34.6	171.9	-68.3	176.1	148	174.1	-6.4	111.5	L232 E233 F237 V238 V239 Y443 S460 V463 I465	L232-R235 VanDerWaalsContact O-CB 3.28Å; L232-R235 WeakPolarHBondContact O-CB 3.49Å; L232-R235 WeakPolarHBondContact O-CG 3.35Å; L232-R235 PolarHBondContact O-N 2.98Å; L232-R235 VanDerWaalsContact O-N 3.08Å; E233-R235 PolarHBondContact O-N 3.21Å; E233-R235 VanDerWaalsContact O-N 3.13Å; R235-F237 PolarHBondContact O-N 3.31Å; R235-V238 PolarHBondContact O-N 3.15Å; R235-V238 VanDerWaalsContact O-N 3.14Å; R235-V239 WeakPolarHBondContact O-CG2 3.16Å; R235-V239 PolarHBondContact O-N 3.22Å; R235-Y443 HydrophobicContact CG-CD1 4.31Å; R235-Y443 HydrophobicContact CG-CE1 4.34Å; R235-S460 WeakPolarHBondContact CB-OG 3.15Å; R235-S460 VanDerWaalsContact CD-O 3.3Å; R235-S460 WeakPolarHBondContact CD-O 3.48Å; R235-S460 PolarHBondContact NE-O 2.86Å; R235-V463 HydrophobicContact CB-CB 4.21Å; R235-V463 HydrophobicContact CB-CG1 4.34Å; R235-V463 HydrophobicContact CG-CB 3.99Å; R235-V463 HydrophobicContact CG-CG1 3.97Å; R235-V463 PolarHBondContact NE-O 3.35Å; R235-V463 PolarHBondContact NH2-O 2.84Å; R235-I465 HydrophobicContact CG-CD1 3.9Å; R235-I465 HydrophobicContact CG-CG1 4.38Å
236	S	87.7	Confident	93.3	Very high	61 Å²	61	45.1 Å²	45.1	43%	0.427	23%	0.228	S	C	.	.	H	α-helix	trans	-60.9	-30.4	177.7	69.4	0	0	0	0	112.6	E233 Y234 V239 N240	E233-S236 WeakPolarHBondContact O-CB 3.47Å; E233-S236 PolarHBondContact O-N 2.94Å; E233-S236 PolarHBondContact O-OG 2.61Å; Y234-S236 PolarHBondContact O-N 3.34Å; S236-V239 PolarHBondContact O-N 3.34Å; S236-N240 PolarHBondContact O-ND2 2.86Å
237	F	88.6	Confident	93.6	Very high	42 Å²	42	42.1 Å²	42.1	18%	0.184	21%	0.206	C	C	.	.	H	α-helix	trans	-68.2	-46.1	175.3	-62.3	-11.9	0	0	0	110.8	Y234 R235 V239 N240 N348	Y234-F237 AromaticContact CD1-CD2 3.47Å; Y234-F237 HydrophobicContact CD1-CD2 3.47Å; Y234-F237 VanDerWaalsContact CD1-CD2 3.47Å; Y234-F237 AromaticContact CD1-CE2 3.45Å; Y234-F237 HydrophobicContact CD1-CE2 3.45Å; Y234-F237 VanDerWaalsContact CD1-CE2 3.45Å; Y234-F237 AromaticContact CE1-CD2 3.97Å; Y234-F237 HydrophobicContact CE1-CD2 3.97Å; Y234-F237 AromaticContact CE1-CE2 3.52Å; Y234-F237 HydrophobicContact CE1-CE2 3.52Å; Y234-F237 WeakPolarHBondContact O-CB 3.48Å; Y234-F237 PolarHBondContact O-N 3.15Å; R235-F237 PolarHBondContact O-N 3.31Å; F237-V239 PolarHBondContact O-N 3.42Å; F237-N240 WeakPolarHBondContact O-CB 3.03Å; F237-N240 PolarHBondContact O-N 3.21Å; F237-N240 VanDerWaalsContact O-N 3.09Å; F237-N240 PolarHBondContact O-ND2 3.45Å; F237-N240 VanDerWaalsContact O-ND2 3.12Å; F237-N348 HydrophobicContact CD1-CB 4.46Å; F237-N348 HydrophobicContact CE1-CB 3.9Å; F237-N348 HydrophobicContact CZ-CB 4.01Å
238	V	96	Very high	93.8	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-62.5	-31.7	176.6	175.7	0	0	0	0	112.6	R235 N240 Y241 L389 Y443 V445 V463	R235-V238 PolarHBondContact O-N 3.15Å; R235-V238 VanDerWaalsContact O-N 3.14Å; V238-N240 PolarHBondContact O-N 2.77Å; V238-Y241 HydrophobicContact CB-CD2 4.26Å; V238-Y241 HydrophobicContact CB-CE2 4.35Å; V238-Y241 HydrophobicContact CG1-CD2 4.13Å; V238-Y241 HydrophobicContact CG2-CD2 4.4Å; V238-Y241 HydrophobicContact CG2-CE2 4.06Å; V238-Y241 WeakPolarHBondContact O-CB 3.08Å; V238-Y241 PolarHBondContact O-N 3.07Å; V238-L389 HydrophobicContact CG2-CB 4.37Å; V238-Y443 HydrophobicContact CG2-CG 4.37Å; V238-V445 HydrophobicContact CG1-CB 4.36Å; V238-V445 HydrophobicContact CG1-CG1 4.46Å; V238-V445 HydrophobicContact CG1-CG2 4Å; V238-V463 HydrophobicContact CB-CG1 3.95Å; V238-V463 HydrophobicContact CB-CG2 4Å; V238-V463 HydrophobicContact CG1-CB 4.42Å; V238-V463 HydrophobicContact CG1-CG1 3.83Å; V238-V463 HydrophobicContact CG1-CG2 3.65Å; V238-V463 HydrophobicContact CG2-CG1 4.23Å
239	V	94.9	Very high	94	Very high	21 Å²	21	46.7 Å²	46.7	13%	0.127	23%	0.228	C	C	.	.	H	α-helix	trans	-58.3	-32	175.4	172.8	0	0	0	0	112.5	R235 S236 F237 Y241 M242 K459 V463	R235-V239 WeakPolarHBondContact O-CG2 3.16Å; R235-V239 PolarHBondContact O-N 3.22Å; S236-V239 PolarHBondContact O-N 3.34Å; F237-V239 PolarHBondContact O-N 3.42Å; V239-Y241 VanDerWaalsContact C-N 3.25Å; V239-Y241 PolarHBondContact O-N 2.97Å; V239-M242 HydrophobicContact CB-CE 4.07Å; V239-M242 HydrophobicContact CG1-CE 4.33Å; V239-M242 HydrophobicContact CG2-CE 3.75Å; V239-M242 WeakPolarHBondContact O-CB 3.41Å; V239-M242 PolarHBondContact O-N 3.45Å; V239-M242 VanDerWaalsContact O-N 3.12Å; V239-K459 HydrophobicContact CG1-CB 4.22Å; V239-K459 HydrophobicContact CG1-CD 4.22Å; V239-K459 HydrophobicContact CG2-CB 4.11Å; V239-V463 HydrophobicContact CG2-CG2 4.43Å
240	N	94.8	Very high	94.3	Very high	52 Å²	52	43.2 Å²	43.2	28%	0.278	21%	0.209	S	C	.	.	H	α-helix	trans	-64.2	-29	176.6	-62.9	-75	0	0	0	112.9	S236 F237 V238 M242 D243 P350	S236-N240 PolarHBondContact O-ND2 2.86Å; F237-N240 WeakPolarHBondContact O-CB 3.03Å; F237-N240 PolarHBondContact O-N 3.21Å; F237-N240 VanDerWaalsContact O-N 3.09Å; F237-N240 PolarHBondContact O-ND2 3.45Å; F237-N240 VanDerWaalsContact O-ND2 3.12Å; V238-N240 PolarHBondContact O-N 2.77Å; N240-M242 PolarHBondContact O-N 2.71Å; N240-D243 WeakPolarHBondContact O-CB 3.2Å; N240-D243 PolarHBondContact O-N 3.38Å; N240-P350 HydrophobicContact CB-CG 3.78Å
241	Y	96.3	Very high	94.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-13.7	178	-50.3	-37.8	0	0	0	112.7	V238 V239 D243 Q247 P350 N366 T369 L370 L389 V445	V238-Y241 HydrophobicContact CB-CD2 4.26Å; V238-Y241 HydrophobicContact CB-CE2 4.35Å; V238-Y241 HydrophobicContact CG1-CD2 4.13Å; V238-Y241 HydrophobicContact CG2-CD2 4.4Å; V238-Y241 HydrophobicContact CG2-CE2 4.06Å; V238-Y241 WeakPolarHBondContact O-CB 3.08Å; V238-Y241 PolarHBondContact O-N 3.07Å; V239-Y241 VanDerWaalsContact C-N 3.25Å; V239-Y241 PolarHBondContact O-N 2.97Å; Y241-D243 VanDerWaalsContact C-N 3.34Å; Y241-Q247 PolarHBondContact O-NE2 2.78Å; Y241-P350 HydrophobicContact CD1-CG 4.26Å; Y241-P350 HydrophobicContact CE1-CB 4.33Å; Y241-P350 HydrophobicContact CE1-CG 4Å; Y241-N366 WeakPolarHBondContact CE1-O 3.43Å; Y241-N366 WeakPolarHBondContact CE1-OD1 3.27Å; Y241-N366 WeakPolarHBondContact OH-CA 3.22Å; Y241-N366 PolarHBondContact OH-O 3.32Å; Y241-N366 PolarHBondContact OH-OD1 3.27Å; Y241-T369 HydrophobicContact CD2-CG2 3.68Å; Y241-T369 HydrophobicContact CE2-CG2 3.42Å; Y241-T369 VanDerWaalsContact CE2-CG2 3.42Å; Y241-T369 HydrophobicContact CG-CG2 4.37Å; Y241-L370 HydrophobicContact CD1-CB 4Å; Y241-L370 HydrophobicContact CD1-CD1 4.44Å; Y241-L370 HydrophobicContact CE1-CB 4.29Å; Y241-L389 HydrophobicContact CE2-CB 4.39Å; Y241-V445 HydrophobicContact CD2-CG2 3.99Å
242	M	94.5	Very high	94.6	Very high	3 Å²	3	47.4 Å²	47.4	2%	0.015	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	1.6	177.6	-56.7	-169.9	-101.2	0	0	113.3	V239 N240 L244 P446 Y451 K459 V463	V239-M242 HydrophobicContact CB-CE 4.07Å; V239-M242 HydrophobicContact CG1-CE 4.33Å; V239-M242 HydrophobicContact CG2-CE 3.75Å; V239-M242 WeakPolarHBondContact O-CB 3.41Å; V239-M242 PolarHBondContact O-N 3.45Å; V239-M242 VanDerWaalsContact O-N 3.12Å; N240-M242 PolarHBondContact O-N 2.71Å; M242-L244 PolarHBondContact O-N 2.89Å; M242-P446 HydrophobicContact CE-CG 3.88Å; M242-P446 HydrophobicContact SD-CB 4.07Å; M242-P446 HydrophobicContact SD-CG 3.67Å; M242-Y451 HydrophobicContact CB-CD1 3.75Å; M242-Y451 HydrophobicContact CB-CD2 4.4Å; M242-Y451 HydrophobicContact CB-CE1 4Å; M242-Y451 HydrophobicContact CB-CG 3.95Å; M242-Y451 HydrophobicContact CG-CD1 3.62Å; M242-Y451 HydrophobicContact CG-CE1 3.44Å; M242-Y451 VanDerWaalsContact CG-CE1 3.44Å; M242-Y451 HydrophobicContact CG-CG 4.31Å; M242-Y451 HydrophobicContact SD-CD1 3.74Å; M242-Y451 HydrophobicContact SD-CE1 3.78Å; M242-K459 HydrophobicContact CB-CD 4.48Å; M242-K459 HydrophobicContact CE-CB 3.55Å; M242-K459 HydrophobicContact CE-CD 4.21Å; M242-K459 HydrophobicContact CE-CG 3.92Å; M242-K459 HydrophobicContact SD-CB 4.29Å; M242-K459 HydrophobicContact SD-CD 4.26Å; M242-K459 HydrophobicContact SD-CG 4.01Å; M242-V463 HydrophobicContact CE-CG2 4.13Å
243	D	94.5	Very high	94.7	Very high	58 Å²	58	46.8 Å²	46.8	31%	0.31	23%	0.228	S	C	.	.			trans	-75.3	111.8	172.2	177.3	-8.9	0	0	0	109.9	N240 Y241 E245 L246 Q247 R351	N240-D243 WeakPolarHBondContact O-CB 3.2Å; N240-D243 PolarHBondContact O-N 3.38Å; Y241-D243 VanDerWaalsContact C-N 3.34Å; D243-E245 WeakPolarHBondContact OD1-CB 3.32Å; D243-E245 PolarHBondContact OD1-N 2.75Å; D243-L246 HydrophobicContact CB-CB 3.79Å; D243-L246 PolarHBondContact O-N 3.39Å; D243-L246 PolarHBondContact OD1-N 2.59Å; D243-L246 VanDerWaalsContact OD1-N 3.13Å; D243-Q247 WeakPolarHBondContact O-CG 3.39Å; D243-Q247 PolarHBondContact O-N 3.22Å; D243-R351 IonicContact OD1-NH2 2.82Å; D243-R351 IonicContact OD2-CZ 2.75Å; D243-R351 IonicContact OD2-NH2 2.79Å; D243-R351 PolarHBondContact OD2-NH2 3.5Å
244	L	94.3	Very high	94.9	Very high	48 Å²	48	41.5 Å²	41.5	25%	0.251	20%	0.204	S	C	.	.	H	α-helix	trans	-69	-31.3	-177.5	-69.1	177.1	0	0	0	113.7	M242 T248 Y451 Q452	M242-L244 PolarHBondContact O-N 2.89Å; L244-T248 PolarHBondContact O-N 2.9Å; L244-T248 PolarHBondContact O-OG1 3.45Å; L244-Y451 HydrophobicContact CD2-CD2 3.95Å; L244-Q452 HydrophobicContact CD1-CG 3.51Å; L244-Q452 VanDerWaalsContact CD1-NE2 3.26Å
245	E	95.8	Very high	94.7	Very high	129 Å²	129	40.5 Å²	40.5	60%	0.603	20%	0.204	S	C	*	.	H	α-helix	trans	-69.6	-43.3	176.2	-169.4	-157.8	115.4	0	0	109.2	D243 Q247 T248 R249 R351	D243-E245 WeakPolarHBondContact OD1-CB 3.32Å; D243-E245 PolarHBondContact OD1-N 2.75Å; E245-Q247 PolarHBondContact O-N 3.23Å; E245-T248 WeakPolarHBondContact O-CB 3.48Å; E245-T248 PolarHBondContact O-N 3.11Å; E245-T248 VanDerWaalsContact O-N 3.17Å; E245-R249 PolarHBondContact O-N 3.48Å; E245-R351 IonicContact OE1-CZ 3.3Å; E245-R351 IonicContact OE1-NH1 3.69Å; E245-R351 PolarHBondContact OE1-NH1 2.95Å; E245-R351 IonicContact OE1-NH2 2.72Å; E245-R351 PolarHBondContact OE1-NH2 2.92Å
246	L	96.7	Very high	94.4	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-63.3	-40.5	175.1	-177.1	54.8	0	0	0	112.3	D243 T248 R249 A250 P350 R351 L354 L370	D243-L246 HydrophobicContact CB-CB 3.79Å; D243-L246 PolarHBondContact O-N 3.39Å; D243-L246 PolarHBondContact OD1-N 2.59Å; D243-L246 VanDerWaalsContact OD1-N 3.13Å; L246-T248 VanDerWaalsContact C-N 3.29Å; L246-T248 PolarHBondContact O-N 2.92Å; L246-R249 PolarHBondContact O-N 3.15Å; L246-A250 WeakPolarHBondContact O-CB 3.42Å; L246-A250 PolarHBondContact O-N 3.34Å; L246-P350 HydrophobicContact CD2-CG 3.97Å; L246-R351 HydrophobicContact CD1-CB 3.75Å; L246-R351 HydrophobicContact CD1-CG 4.03Å; L246-R351 HydrophobicContact CD2-CB 4.18Å; L246-L354 HydrophobicContact CD1-CD1 3.69Å; L246-L370 HydrophobicContact CD1-CD2 3.78Å; L246-L370 HydrophobicContact CD2-CD1 4.31Å; L246-L370 HydrophobicContact CD2-CD2 3.94Å; L246-L370 HydrophobicContact CG-CD1 3.99Å; L246-L370 HydrophobicContact CG-CD2 3.6Å; L246-L370 HydrophobicContact CG-CG 4.47Å
247	Q	97.3	Very high	94.2	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-61.6	-38.4	173.3	-74.7	174.1	26.7	0	0	112.3	Y241 D243 E245 A250 R251 L370 S374	Y241-Q247 PolarHBondContact O-NE2 2.78Å; D243-Q247 WeakPolarHBondContact O-CG 3.39Å; D243-Q247 PolarHBondContact O-N 3.22Å; E245-Q247 PolarHBondContact O-N 3.23Å; Q247-A250 PolarHBondContact O-N 2.76Å; Q247-R251 PolarHBondContact O-N 2.98Å; Q247-L370 HydrophobicContact CG-CD1 4.26Å; Q247-S374 VanDerWaalsContact CA-OG 3.28Å; Q247-S374 WeakPolarHBondContact CA-OG 3.37Å; Q247-S374 WeakPolarHBondContact CG-OG 3.12Å; Q247-S374 WeakPolarHBondContact O-CB 3.36Å
248	T	97	Very high	93.8	Very high	52 Å²	52	48.9 Å²	48.9	32%	0.319	24%	0.241	S	C	.	.	H	α-helix	trans	-63.1	-48.7	176.9	-56.6	0	0	0	0	110.6	L244 E245 L246 A250 R251 E252	L244-T248 PolarHBondContact O-N 2.9Å; L244-T248 PolarHBondContact O-OG1 3.45Å; E245-T248 WeakPolarHBondContact O-CB 3.48Å; E245-T248 PolarHBondContact O-N 3.11Å; E245-T248 VanDerWaalsContact O-N 3.17Å; L246-T248 VanDerWaalsContact C-N 3.29Å; L246-T248 PolarHBondContact O-N 2.92Å; T248-A250 VanDerWaalsContact C-N 3.29Å; T248-A250 PolarHBondContact O-N 3.46Å; T248-R251 WeakPolarHBondContact O-CB 3.35Å; T248-R251 PolarHBondContact O-N 2.92Å; T248-R251 PolarHBondContact OG1-NH2 2.93Å; T248-E252 WeakPolarHBondContact O-CG 3.28Å; T248-E252 PolarHBondContact O-N 2.96Å; T248-E252 VanDerWaalsContact O-N 3.11Å
249	R	97.6	Very high	93.1	Very high	62 Å²	62	49.2 Å²	49.2	23%	0.234	24%	0.242	C	C	.	.	H	α-helix	trans	-59.8	-38.3	175.5	-170.6	177.4	-174.5	-168	1.8	112.4	E245 L246 L253 L354 E355	E245-R249 PolarHBondContact O-N 3.48Å; L246-R249 PolarHBondContact O-N 3.15Å; R249-L253 WeakPolarHBondContact O-CG 3.34Å; R249-L354 HydrophobicContact CB-CD1 4.5Å; R249-L354 HydrophobicContact CG-CD1 4.25Å; R249-E355 IonicContact CZ-OE1 3.31Å; R249-E355 IonicContact NH1-OE1 3.98Å; R249-E355 PolarHBondContact NH1-OE1 3.35Å; R249-E355 IonicContact NH2-OE1 3.29Å; R249-E355 PolarHBondContact NH2-OE1 2.83Å; R249-E355 VanDerWaalsContact NH2-OE1 3.16Å
250	A	98.2	Very high	92.6	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-66.5	-45.4	175.7	0	0	0	0	0	111.7	L246 Q247 T248 E252 L253 I254 L354 L370 F371 S374	L246-A250 WeakPolarHBondContact O-CB 3.42Å; L246-A250 PolarHBondContact O-N 3.34Å; Q247-A250 PolarHBondContact O-N 2.76Å; T248-A250 VanDerWaalsContact C-N 3.29Å; T248-A250 PolarHBondContact O-N 3.46Å; A250-E252 VanDerWaalsContact C-N 3.33Å; A250-E252 PolarHBondContact O-N 3.12Å; A250-L253 WeakPolarHBondContact O-CB 3.43Å; A250-L253 PolarHBondContact O-N 3.29Å; A250-L253 VanDerWaalsContact O-N 3.11Å; A250-I254 PolarHBondContact O-N 3.13Å; A250-L354 HydrophobicContact CB-CD1 4.15Å; A250-L354 HydrophobicContact CB-CD2 4.48Å; A250-L370 HydrophobicContact CB-CD1 4.44Å; A250-L370 HydrophobicContact CB-CD2 3.98Å; A250-L370 HydrophobicContact CB-CG 3.85Å; A250-F371 HydrophobicContact CB-CD1 4.31Å; A250-F371 HydrophobicContact CB-CE1 4.34Å; A250-F371 VanDerWaalsContact O-CE1 3.26Å; A250-F371 WeakPolarHBondContact O-CE1 3.34Å; A250-S374 WeakPolarHBondContact CB-OG 3.37Å
251	R	97	Very high	91.6	Very high	53 Å²	53	51.1 Å²	51.1	20%	0.2	25%	0.251	C	S	.	.	H	α-helix	trans	-56.6	-44.4	177.4	-82.8	-168.2	-62.4	-96.7	5.3	113.1	Q247 T248 L253 I254 S374 E376	Q247-R251 PolarHBondContact O-N 2.98Å; T248-R251 WeakPolarHBondContact O-CB 3.35Å; T248-R251 PolarHBondContact O-N 2.92Å; T248-R251 PolarHBondContact OG1-NH2 2.93Å; R251-L253 PolarHBondContact O-N 2.85Å; R251-L253 VanDerWaalsContact O-N 3.16Å; R251-I254 PolarHBondContact O-N 3.27Å; R251-S374 WeakPolarHBondContact CD-O 3.18Å; R251-S374 WeakPolarHBondContact CG-O 3.45Å; R251-E376 WeakPolarHBondContact CD-OE2 3.39Å; R251-E376 IonicContact CZ-OE1 3.99Å; R251-E376 VanDerWaalsContact CZ-OE1 3.29Å; R251-E376 IonicContact CZ-OE2 3.86Å; R251-E376 IonicContact NE-OE1 3.15Å; R251-E376 IonicContact NE-OE2 3.41Å; R251-E376 IonicContact NH1-OE1 3.83Å; R251-E376 PolarHBondContact NH1-OE1 3.12Å; R251-E376 IonicContact NH1-OE2 3.59Å; R251-E376 IonicContact NH2-OE1 3.76Å
252	E	96	Very high	90.3	Very high	152 Å²	152	51.9 Å²	51.9	71%	0.71	26%	0.257	S	S	*	.	H	α-helix	trans	-61.2	-22.7	-179.9	-71.3	169.2	177.4	0	0	113	T248 A250	T248-E252 WeakPolarHBondContact O-CG 3.28Å; T248-E252 PolarHBondContact O-N 2.96Å; T248-E252 VanDerWaalsContact O-N 3.11Å; A250-E252 VanDerWaalsContact C-N 3.33Å; A250-E252 PolarHBondContact O-N 3.12Å
253	L	95.9	Very high	89.2	Confident	51 Å²	51	51.8 Å²	51.8	27%	0.267	26%	0.256	S	S	.	.	H	α-helix	trans	-86.3	-17.2	177.2	-65.6	171.9	0	0	0	113.5	R249 A250 R251 P255 W286 F291 L354 F371	R249-L253 WeakPolarHBondContact O-CG 3.34Å; A250-L253 WeakPolarHBondContact O-CB 3.43Å; A250-L253 PolarHBondContact O-N 3.29Å; A250-L253 VanDerWaalsContact O-N 3.11Å; R251-L253 PolarHBondContact O-N 2.85Å; R251-L253 VanDerWaalsContact O-N 3.16Å; L253-P255 WeakPolarHBondContact O-CD 3.44Å; L253-W286 VanDerWaalsContact O-CZ2 3.23Å; L253-W286 WeakPolarHBondContact O-CZ2 3.26Å; L253-F291 HydrophobicContact CB-CE2 4.14Å; L253-F291 HydrophobicContact CD1-CE2 4.07Å; L253-F291 HydrophobicContact CD1-CZ 4.06Å; L253-L354 HydrophobicContact CD1-CB 4.18Å; L253-L354 HydrophobicContact CD1-CD1 4.3Å; L253-L354 HydrophobicContact CD1-CD2 4.09Å; L253-L354 HydrophobicContact CD1-CG 4.42Å; L253-F371 HydrophobicContact CB-CE1 4.09Å; L253-F371 HydrophobicContact CB-CZ 4.27Å
254	I	94.3	Very high	88.2	Confident	11 Å²	11	49.5 Å²	49.5	6%	0.056	25%	0.245	C	C	.	.	S	Bend	trans	-78.3	121.8	179.1	-54.8	174.5	0	0	0	108.8	A250 R251 T256 L259 F279 L283 F371 A375	A250-I254 PolarHBondContact O-N 3.13Å; R251-I254 PolarHBondContact O-N 3.27Å; I254-T256 PolarHBondContact O-N 3.33Å; I254-T256 PolarHBondContact O-OG1 3.04Å; I254-L259 HydrophobicContact CG2-CD1 3.67Å; I254-F279 HydrophobicContact CG2-CZ 4.4Å; I254-L283 HydrophobicContact CG2-CD1 3.94Å; I254-F371 HydrophobicContact CD1-CD1 3.76Å; I254-F371 HydrophobicContact CD1-CE1 4.47Å; I254-F371 HydrophobicContact CG1-CD1 3.4Å; I254-F371 HydrophobicContact CG1-CE1 3.66Å; I254-A375 HydrophobicContact CD1-CB 4.03Å
255	P	86.1	Confident	86.8	Confident	35 Å²	35	51.8 Å²	51.8	23%	0.227	25%	0.254	C	S	.	.			trans	-77.3	63	175.7	33.6	-35.6	0	0	0	111	L253 E257 Q258 L259 W286	L253-P255 WeakPolarHBondContact O-CD 3.44Å; P255-E257 VanDerWaalsContact C-N 3.32Å; P255-E257 PolarHBondContact O-N 3Å; P255-Q258 HydrophobicContact CB-CB 4.21Å; P255-Q258 WeakPolarHBondContact O-CB 2.98Å; P255-Q258 PolarHBondContact O-N 3.4Å; P255-L259 HydrophobicContact CG-CD1 4.45Å; P255-L259 HydrophobicContact CG-CD2 4.27Å; P255-L259 HydrophobicContact CG-CG 4.11Å; P255-L259 WeakPolarHBondContact O-CG 3.46Å; P255-L259 PolarHBondContact O-N 3.36Å; P255-W286 VanDerWaalsContact CD-CZ2 3.46Å; P255-W286 HydrophobicContact CG-CD2 4.17Å; P255-W286 HydrophobicContact CG-CG 4.11Å; P255-W286 HydrophobicContact CG-CZ2 4.33Å
256	T	89.3	Confident	85.1	Confident	40 Å²	40	47.4 Å²	47.4	25%	0.245	24%	0.235	C	C	.	.	H	α-helix	trans	-54.1	-43.7	-166.5	-60.4	0	0	0	0	113	I254 L259 L260 F279	I254-T256 PolarHBondContact O-N 3.33Å; I254-T256 PolarHBondContact O-OG1 3.04Å; T256-L259 PolarHBondContact O-N 2.86Å; T256-L260 HydrophobicContact CG2-CD1 3.86Å; T256-L260 HydrophobicContact CG2-CG 4.39Å; T256-L260 WeakPolarHBondContact O-CB 3.04Å; T256-L260 VanDerWaalsContact O-CG 3.29Å; T256-L260 WeakPolarHBondContact O-CG 3.46Å; T256-L260 PolarHBondContact O-N 3.28Å; T256-F279 HydrophobicContact CG2-CE2 4.29Å
257	E	83.1	Confident	83.9	Confident	163 Å²	163	50.3 Å²	50.3	76%	0.762	25%	0.251	S	S	*	.	H	α-helix	trans	-62.5	-44	178.6	-64.1	-177.8	174.8	0	0	112.1	P255 L260 L261	P255-E257 VanDerWaalsContact C-N 3.32Å; P255-E257 PolarHBondContact O-N 3Å; E257-L260 PolarHBondContact O-N 2.93Å; E257-L261 WeakPolarHBondContact O-CB 3.45Å; E257-L261 VanDerWaalsContact O-CG 3.29Å; E257-L261 WeakPolarHBondContact O-CG 3.5Å; E257-L261 PolarHBondContact O-N 3.31Å
258	Q	79.8	Confident	82.6	Confident	95 Å²	95	56 Å²	56	44%	0.444	29%	0.29	S	S	.	.	H	α-helix	trans	-65.1	-43.9	177.5	-177.2	-173.5	-14.9	0	0	111.4	P255 L260 L261 S262	P255-Q258 HydrophobicContact CB-CB 4.21Å; P255-Q258 WeakPolarHBondContact O-CB 2.98Å; P255-Q258 PolarHBondContact O-N 3.4Å; Q258-L260 VanDerWaalsContact C-N 3.32Å; Q258-L260 PolarHBondContact O-N 3.22Å; Q258-L261 PolarHBondContact O-N 2.97Å; Q258-S262 WeakPolarHBondContact O-CB 3.43Å; Q258-S262 PolarHBondContact O-N 3.28Å
259	L	82.6	Confident	81.3	Confident	7 Å²	7	55.5 Å²	55.5	4%	0.037	29%	0.288	C	S	.	.	H	α-helix	trans	-63.7	-40.1	178	-60.5	-175.8	0	0	0	111.4	I254 P255 T256 S262 A263 F279 E282 L283 W286	I254-L259 HydrophobicContact CG2-CD1 3.67Å; P255-L259 HydrophobicContact CG-CD1 4.45Å; P255-L259 HydrophobicContact CG-CD2 4.27Å; P255-L259 HydrophobicContact CG-CG 4.11Å; P255-L259 WeakPolarHBondContact O-CG 3.46Å; P255-L259 PolarHBondContact O-N 3.36Å; T256-L259 PolarHBondContact O-N 2.86Å; L259-S262 PolarHBondContact O-N 3.44Å; L259-A263 VanDerWaalsContact O-CB 3.29Å; L259-A263 WeakPolarHBondContact O-CB 3.44Å; L259-A263 PolarHBondContact O-N 2.84Å; L259-F279 HydrophobicContact CB-CD2 4.29Å; L259-F279 HydrophobicContact CB-CE2 3.86Å; L259-F279 HydrophobicContact CD1-CE2 4.18Å; L259-F279 HydrophobicContact CD1-CZ 4.27Å; L259-E282 HydrophobicContact CB-CB 4.22Å; L259-E282 HydrophobicContact CD2-CB 4.17Å; L259-L283 HydrophobicContact CD1-CB 4.29Å; L259-L283 HydrophobicContact CD1-CD1 3.73Å; L259-W286 HydrophobicContact CD2-CB 3.66Å; L259-W286 HydrophobicContact CD2-CG 4.14Å
260	L	83.2	Confident	80.4	Confident	23 Å²	23	55.1 Å²	55.1	12%	0.12	30%	0.295	C	S	.	.	H	α-helix	trans	-66.4	-42.1	176.8	-78	171	0	0	0	112.4	T256 E257 Q258 A263 S264 V271 V274 F279 W383	T256-L260 HydrophobicContact CG2-CD1 3.86Å; T256-L260 HydrophobicContact CG2-CG 4.39Å; T256-L260 WeakPolarHBondContact O-CB 3.04Å; T256-L260 VanDerWaalsContact O-CG 3.29Å; T256-L260 WeakPolarHBondContact O-CG 3.46Å; T256-L260 PolarHBondContact O-N 3.28Å; E257-L260 PolarHBondContact O-N 2.93Å; Q258-L260 VanDerWaalsContact C-N 3.32Å; Q258-L260 PolarHBondContact O-N 3.22Å; L260-A263 PolarHBondContact O-N 2.66Å; L260-S264 VanDerWaalsContact O-CB 3.25Å; L260-S264 WeakPolarHBondContact O-CB 3.28Å; L260-S264 PolarHBondContact O-N 2.83Å; L260-S264 PolarHBondContact O-OG 3.1Å; L260-V271 HydrophobicContact CB-CG1 3.99Å; L260-V271 HydrophobicContact CD1-CG1 4.23Å; L260-V274 HydrophobicContact CD2-CB 4Å; L260-V274 HydrophobicContact CD2-CG1 3.97Å; L260-V274 HydrophobicContact CD2-CG2 4.28Å; L260-F279 HydrophobicContact CD2-CD2 3.93Å; L260-F279 HydrophobicContact CD2-CE2 4.45Å; L260-F279 HydrophobicContact CG-CD2 4.24Å; L260-F279 HydrophobicContact CG-CE2 4.32Å; L260-W383 HydrophobicContact CD1-CZ2 4.47Å; L260-W383 HydrophobicContact CD2-CH2 3.64Å; L260-W383 HydrophobicContact CD2-CZ2 3.4Å; L260-W383 VanDerWaalsContact CD2-CZ2 3.4Å; L260-W383 HydrophobicContact CG-CZ2 4.37Å
261	L	73.7	Confident	79.5	Confident	90 Å²	90	57.7 Å²	57.7	47%	0.471	31%	0.311	S	S	.	.	H	α-helix	trans	-60.6	-48.5	174.3	-73.7	169.4	0	0	0	110.7	E257 Q258 A263 S264 Q265 V271	E257-L261 WeakPolarHBondContact O-CB 3.45Å; E257-L261 VanDerWaalsContact O-CG 3.29Å; E257-L261 WeakPolarHBondContact O-CG 3.5Å; E257-L261 PolarHBondContact O-N 3.31Å; Q258-L261 PolarHBondContact O-N 2.97Å; L261-A263 PolarHBondContact O-N 2.81Å; L261-S264 PolarHBondContact O-N 3.03Å; L261-S264 PolarHBondContact O-OG 2.67Å; L261-Q265 WeakPolarHBondContact O-CB 3.41Å; L261-Q265 VanDerWaalsContact O-CG 3.29Å; L261-Q265 WeakPolarHBondContact O-CG 3.24Å; L261-Q265 PolarHBondContact O-N 3.4Å; L261-V271 HydrophobicContact CD2-CG2 3.94Å
262	S	68.9	Low	79	Confident	17 Å²	17	61 Å²	61	12%	0.119	33%	0.333	C	S	.	.	H	α-helix	trans	-58.4	-47.6	176.2	-170.4	0	0	0	0	111.8	Q258 L259 S264 Q265 N266 E282	Q258-S262 WeakPolarHBondContact O-CB 3.43Å; Q258-S262 PolarHBondContact O-N 3.28Å; L259-S262 PolarHBondContact O-N 3.44Å; S262-S264 PolarHBondContact O-N 3.32Å; S262-Q265 PolarHBondContact O-N 2.91Å; S262-N266 VanDerWaalsContact O-CB 3.24Å; S262-N266 WeakPolarHBondContact O-CB 3.38Å; S262-N266 VanDerWaalsContact O-CG 3.24Å; S262-N266 PolarHBondContact O-N 2.95Å; S262-N266 PolarHBondContact O-ND2 3.1Å; S262-E282 WeakPolarHBondContact CB-OE2 3.34Å; S262-E282 PolarHBondContact OG-OE2 3.43Å
263	A	73	Confident	78.5	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-62.1	-42.8	179.1	0	0	0	0	0	112	L259 L260 L261 N266 N267 V274 D278 E282	L259-A263 VanDerWaalsContact O-CB 3.29Å; L259-A263 WeakPolarHBondContact O-CB 3.44Å; L259-A263 PolarHBondContact O-N 2.84Å; L260-A263 PolarHBondContact O-N 2.66Å; L261-A263 PolarHBondContact O-N 2.81Å; A263-N266 PolarHBondContact O-N 2.83Å; A263-N267 PolarHBondContact O-N 3.02Å; A263-N267 PolarHBondContact O-ND2 2.71Å; A263-V274 HydrophobicContact CB-CG1 3.64Å; A263-V274 HydrophobicContact CB-CG2 4.04Å; A263-D278 HydrophobicContact CB-CB 4.35Å; A263-E282 HydrophobicContact CB-CG 3.69Å
264	S	72.3	Confident	77.9	Confident	10 Å²	10	56.5 Å²	56.5	7%	0.07	31%	0.314	C	S	.	.	H	α-helix	trans	-64.6	-43.7	179.7	73	0	0	0	0	111.9	L260 L261 S262 N267 S268 C269	L260-S264 VanDerWaalsContact O-CB 3.25Å; L260-S264 WeakPolarHBondContact O-CB 3.28Å; L260-S264 PolarHBondContact O-N 2.83Å; L260-S264 PolarHBondContact O-OG 3.1Å; L261-S264 PolarHBondContact O-N 3.03Å; L261-S264 PolarHBondContact O-OG 2.67Å; S262-S264 PolarHBondContact O-N 3.32Å; S264-N267 PolarHBondContact O-N 2.84Å; S264-S268 WeakPolarHBondContact O-CA 3.01Å; S264-S268 PolarHBondContact O-N 2.96Å; S264-C269 WeakPolarHBondContact CB-O 3.35Å; S264-C269 PolarHBondContact O-N 2.7Å
265	Q	65.2	Low	77.8	Confident	97 Å²	97	61.2 Å²	61.2	45%	0.453	34%	0.336	S	S	.	.	H	α-helix	trans	-66	-41.1	174.8	-70	173.7	-1.3	0	0	111.3	L261 S262 N267 S268	L261-Q265 WeakPolarHBondContact O-CB 3.41Å; L261-Q265 VanDerWaalsContact O-CG 3.29Å; L261-Q265 WeakPolarHBondContact O-CG 3.24Å; L261-Q265 PolarHBondContact O-N 3.4Å; S262-Q265 PolarHBondContact O-N 2.91Å; Q265-N267 VanDerWaalsContact C-N 3.28Å; Q265-N267 PolarHBondContact O-N 3Å; Q265-S268 PolarHBondContact O-N 2.67Å
266	N	60.5	Low	78.2	Confident	37 Å²	37	60.7 Å²	60.7	20%	0.198	33%	0.332	C	S	.	.	H	α-helix	trans	-66	-30.6	-179	-79.7	-25	0	0	0	113.6	S262 A263 E282 K574	S262-N266 VanDerWaalsContact O-CB 3.24Å; S262-N266 WeakPolarHBondContact O-CB 3.38Å; S262-N266 VanDerWaalsContact O-CG 3.24Å; S262-N266 PolarHBondContact O-N 2.95Å; S262-N266 PolarHBondContact O-ND2 3.1Å; A263-N266 PolarHBondContact O-N 2.83Å; N266-E282 PolarHBondContact ND2-OE1 2.94Å; N266-K574 WeakPolarHBondContact OD1-CD 3.36Å; N266-K574 WeakPolarHBondContact OD1-CE 3.46Å; N266-K574 PolarHBondContact OD1-NZ 3.42Å
267	N	70.8	Confident	78.3	Confident	62 Å²	62	60.4 Å²	60.4	33%	0.332	33%	0.327	S	S	.	.	H	α-helix	trans	-108.2	6.7	-178.4	-62.4	-76.5	0	0	0	113.3	A263 S264 Q265 C269 D278	A263-N267 PolarHBondContact O-N 3.02Å; A263-N267 PolarHBondContact O-ND2 2.71Å; S264-N267 PolarHBondContact O-N 2.84Å; Q265-N267 VanDerWaalsContact C-N 3.28Å; Q265-N267 PolarHBondContact O-N 3Å; N267-C269 VanDerWaalsContact C-N 3.26Å; N267-C269 PolarHBondContact O-N 3.15Å; N267-D278 VanDerWaalsContact CG-CG 3.44Å; N267-D278 WeakPolarHBondContact ND2-CB 2.9Å; N267-D278 PolarHBondContact ND2-OD1 3.37Å; N267-D278 PolarHBondContact OD1-OD1 2.85Å
268	S	70.8	Confident	78.4	Confident	119 Å²	119	53.6 Å²	53.6	83%	0.832	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	43.3	179.5	-56.6	0	0	0	0	112.9	S264 Q265	S264-S268 WeakPolarHBondContact O-CA 3.01Å; S264-S268 PolarHBondContact O-N 2.96Å; Q265-S268 PolarHBondContact O-N 2.67Å
269	C	70.1	Confident	78.9	Confident	41 Å²	41	49.1 Å²	49.1	28%	0.277	27%	0.274	S	S	.	.	S	Bend	trans	-124.3	170.9	178.9	71	0	0	0	0	111	S264 N267 N273	S264-C269 WeakPolarHBondContact CB-O 3.35Å; S264-C269 PolarHBondContact O-N 2.7Å; N267-C269 VanDerWaalsContact C-N 3.26Å; N267-C269 PolarHBondContact O-N 3.15Å; C269-N273 HydrophobicContact CB-CB 4.15Å
270	S	78.1	Confident	79.5	Confident	54 Å²	54	48.8 Å²	48.8	38%	0.378	27%	0.273	S	S	.	.			trans	-72.7	159.4	167.5	64	0	0	0	0	110.5	D272 N273 V274	S270-D272 PolarHBondContact O-N 3.29Å; S270-N273 PolarHBondContact O-N 2.9Å; S270-N273 WeakPolarHBondContact OG-CB 3.33Å; S270-N273 PolarHBondContact OG-N 3.07Å; S270-N273 PolarHBondContact OG-ND2 3.02Å; S270-N273 VanDerWaalsContact OG-ND2 3.14Å; S270-V274 PolarHBondContact O-N 2.94Å
271	V	78.6	Confident	79.7	Confident	55 Å²	55	52.1 Å²	52.1	33%	0.333	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-55.4	-38.7	174.2	166.9	0	0	0	0	111.7	L260 L261 N273 V274	L260-V271 HydrophobicContact CB-CG1 3.99Å; L260-V271 HydrophobicContact CD1-CG1 4.23Å; L261-V271 HydrophobicContact CD2-CG2 3.94Å; V271-N273 PolarHBondContact O-N 2.98Å; V271-V274 WeakPolarHBondContact O-CG2 3.34Å; V271-V274 PolarHBondContact O-N 2.81Å
272	D	85.8	Confident	80.1	Confident	122 Å²	122	48.3 Å²	48.3	65%	0.652	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-68.1	-22.5	179.2	-59.5	-44.5	0	0	0	113.4	S270	S270-D272 PolarHBondContact O-N 3.29Å
273	N	86.5	Confident	81.2	Confident	106 Å²	106	47.5 Å²	47.5	57%	0.567	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-97.9	9.1	-179	-68.2	-16.1	0	0	0	113	C269 S270 V271 E275	C269-N273 HydrophobicContact CB-CB 4.15Å; S270-N273 PolarHBondContact O-N 2.9Å; S270-N273 WeakPolarHBondContact OG-CB 3.33Å; S270-N273 PolarHBondContact OG-N 3.07Å; S270-N273 PolarHBondContact OG-ND2 3.02Å; S270-N273 VanDerWaalsContact OG-ND2 3.14Å; V271-N273 PolarHBondContact O-N 2.98Å; N273-E275 PolarHBondContact O-N 2.78Å
274	V	83.9	Confident	81.9	Confident	2 Å²	2	47.6 Å²	47.6	1%	0.012	26%	0.258	C	S	.	.			trans	-66.8	120.6	175.6	172.3	0	0	0	0	109.7	L260 A263 S270 V271 D278 F279 W383	L260-V274 HydrophobicContact CD2-CB 4Å; L260-V274 HydrophobicContact CD2-CG1 3.97Å; L260-V274 HydrophobicContact CD2-CG2 4.28Å; A263-V274 HydrophobicContact CB-CG1 3.64Å; A263-V274 HydrophobicContact CB-CG2 4.04Å; S270-V274 PolarHBondContact O-N 2.94Å; V271-V274 WeakPolarHBondContact O-CG2 3.34Å; V271-V274 PolarHBondContact O-N 2.81Å; V274-D278 HydrophobicContact CG1-CB 4.2Å; V274-F279 HydrophobicContact CG1-CB 4.09Å; V274-W383 HydrophobicContact CB-CH2 4.31Å; V274-W383 HydrophobicContact CG1-CH2 4.07Å; V274-W383 HydrophobicContact CG1-CZ3 4.41Å; V274-W383 WeakPolarHBondContact O-CZ3 3.5Å
275	E	91.4	Very high	82.4	Confident	111 Å²	111	50.5 Å²	50.5	52%	0.519	27%	0.272	S	S	.	.			trans	-77.6	151.7	176.7	-70.1	-63	145.4	0	0	111.3	N273 R277 D278 F279	N273-E275 PolarHBondContact O-N 2.78Å; E275-R277 PolarHBondContact O-N 2.94Å; E275-R277 VanDerWaalsContact O-N 3.08Å; E275-D278 PolarHBondContact O-N 2.99Å; E275-F279 PolarHBondContact O-N 3.05Å; E275-F279 VanDerWaalsContact O-N 3.12Å
276	P	94.4	Very high	83.3	Confident	24 Å²	24	46.7 Å²	46.7	16%	0.156	25%	0.254	C	S	.	.	H	α-helix	trans	-53.4	-35	179.5	-28	34.9	0	0	0	114.2	D278 L280 W383 F384 L403	P276-D278 VanDerWaalsContact C-N 3.28Å; P276-D278 PolarHBondContact O-N 3.48Å; P276-L280 VanDerWaalsContact O-CB 3.32Å; P276-L280 WeakPolarHBondContact O-CB 3.11Å; P276-L280 PolarHBondContact O-N 3.42Å; P276-W383 HydrophobicContact CB-CE3 4.22Å; P276-W383 HydrophobicContact CG-CE3 4.29Å; P276-F384 HydrophobicContact CB-CD1 4.3Å; P276-F384 HydrophobicContact CB-CE1 4.16Å; P276-F384 WeakPolarHBondContact O-CE1 3.49Å; P276-L403 HydrophobicContact CB-CD2 3.67Å
277	R	92	Very high	84.8	Confident	34 Å²	34	44.9 Å²	44.9	13%	0.128	24%	0.244	C	C	.	.	H	α-helix	trans	-65	-34	179.1	-167.1	174.8	-166	116.3	11	112.7	E275 R281 K404 K406 L423 D424	E275-R277 PolarHBondContact O-N 2.94Å; E275-R277 VanDerWaalsContact O-N 3.08Å; R277-R281 PolarHBondContact O-N 3.31Å; R277-K404 PolarHBondContact NH1-O 3.37Å; R277-K406 VanDerWaalsContact CZ-CE 3.44Å; R277-L423 HydrophobicContact CG-CD2 3.87Å; R277-D424 IonicContact CZ-OD2 3.55Å; R277-D424 IonicContact NH1-OD2 3.35Å; R277-D424 VanDerWaalsContact NH2-CG 3.25Å; R277-D424 IonicContact NH2-OD2 2.84Å; R277-D424 PolarHBondContact NH2-OD2 2.95Å
278	D	85.7	Confident	85.5	Confident	20 Å²	20	44.9 Å²	44.9	11%	0.107	24%	0.241	C	C	.	.	H	α-helix	trans	-78.7	-43	-179.9	-62.9	-40.7	0	0	0	111	A263 N267 V274 E275 P276 L280 R281 E282	A263-D278 HydrophobicContact CB-CB 4.35Å; N267-D278 VanDerWaalsContact CG-CG 3.44Å; N267-D278 WeakPolarHBondContact ND2-CB 2.9Å; N267-D278 PolarHBondContact ND2-OD1 3.37Å; N267-D278 PolarHBondContact OD1-OD1 2.85Å; V274-D278 HydrophobicContact CG1-CB 4.2Å; E275-D278 PolarHBondContact O-N 2.99Å; P276-D278 VanDerWaalsContact C-N 3.28Å; P276-D278 PolarHBondContact O-N 3.48Å; D278-L280 VanDerWaalsContact C-N 3.3Å; D278-L280 PolarHBondContact O-N 2.78Å; D278-R281 WeakPolarHBondContact O-CB 3.4Å; D278-R281 PolarHBondContact O-N 3.23Å; D278-R281 VanDerWaalsContact O-N 3.16Å; D278-R281 IonicContact OD1-CZ 3.92Å; D278-R281 IonicContact OD1-NE 2.85Å; D278-R281 IonicContact OD1-NH2 2.87Å; D278-R281 PolarHBondContact OD1-NH2 2.83Å; D278-E282 PolarHBondContact O-N 3.38Å
279	F	90.3	Very high	85.8	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-57.5	-43.8	171	-177.7	-103.3	0	0	0	111.9	I254 T256 L259 L260 V274 E275 R281 E282 L283 A375 W383 F384	I254-F279 HydrophobicContact CG2-CZ 4.4Å; T256-F279 HydrophobicContact CG2-CE2 4.29Å; L259-F279 HydrophobicContact CB-CD2 4.29Å; L259-F279 HydrophobicContact CB-CE2 3.86Å; L259-F279 HydrophobicContact CD1-CE2 4.18Å; L259-F279 HydrophobicContact CD1-CZ 4.27Å; L260-F279 HydrophobicContact CD2-CD2 3.93Å; L260-F279 HydrophobicContact CD2-CE2 4.45Å; L260-F279 HydrophobicContact CG-CD2 4.24Å; L260-F279 HydrophobicContact CG-CE2 4.32Å; V274-F279 HydrophobicContact CG1-CB 4.09Å; E275-F279 PolarHBondContact O-N 3.05Å; E275-F279 VanDerWaalsContact O-N 3.12Å; F279-R281 VanDerWaalsContact C-N 3.28Å; F279-R281 PolarHBondContact O-N 3.33Å; F279-E282 PolarHBondContact O-N 2.98Å; F279-L283 HydrophobicContact CE1-CD2 4.4Å; F279-L283 WeakPolarHBondContact O-CB 3.41Å; F279-L283 PolarHBondContact O-N 2.86Å; F279-A375 HydrophobicContact CE1-CB 4.09Å; F279-W383 HydrophobicContact CB-CD2 4.24Å; F279-W383 HydrophobicContact CB-CE3 3.87Å; F279-W383 HydrophobicContact CB-CH2 4.07Å; F279-W383 HydrophobicContact CB-CZ2 4.44Å; F279-W383 HydrophobicContact CB-CZ3 3.76Å; F279-W383 HydrophobicContact CD1-CB 4.24Å; F279-W383 AromaticContact CD1-CD2 3.65Å; F279-W383 HydrophobicContact CD1-CD2 3.65Å; F279-W383 AromaticContact CD1-CE2 3.98Å; F279-W383 HydrophobicContact CD1-CE3 4.06Å; F279-W383 AromaticContact CD1-CG 3.72Å; F279-W383 HydrophobicContact CD1-CG 3.72Å; F279-W383 HydrophobicContact CD2-CH2 4.5Å; F279-W383 HydrophobicContact CD2-CZ2 4.13Å; F279-W383 HydrophobicContact CE1-CB 4.39Å; F279-W383 AromaticContact CE1-CD1 3.7Å; F279-W383 HydrophobicContact CE1-CD2 4.13Å; F279-W383 AromaticContact CE1-CG 3.83Å; F279-W383 HydrophobicContact CE1-CG 3.83Å; F279-W383 AromaticContact CE1-NE1 3.94Å; F279-W383 AromaticContact CG-CD2 3.88Å; F279-W383 HydrophobicContact CG-CD2 3.88Å; F279-W383 AromaticContact CG-CE2 3.91Å; F279-W383 HydrophobicContact CG-CE3 4.04Å; F279-W383 HydrophobicContact CG-CG 4.41Å; F279-W383 HydrophobicContact CG-CH2 4.28Å; F279-W383 HydrophobicContact CG-CZ2 4.16Å; F279-W383 HydrophobicContact CG-CZ3 4.22Å; F279-W383 AromaticContact CZ-NE1 3.96Å; F279-F384 HydrophobicContact CD1-CE2 4.44Å; F279-F384 AromaticContact CD1-CZ 3.96Å; F279-F384 HydrophobicContact CD1-CZ 3.96Å
280	L	94.8	Very high	86.3	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-59.3	-38.4	176.9	179.5	56.1	0	0	0	112.8	P276 D278 L283 L284 F368 L372 F384 V401 L403 L423	P276-L280 VanDerWaalsContact O-CB 3.32Å; P276-L280 WeakPolarHBondContact O-CB 3.11Å; P276-L280 PolarHBondContact O-N 3.42Å; D278-L280 VanDerWaalsContact C-N 3.3Å; D278-L280 PolarHBondContact O-N 2.78Å; L280-L283 PolarHBondContact O-N 3.3Å; L280-L284 HydrophobicContact CD1-CG 4.43Å; L280-L284 HydrophobicContact CG-CD1 4.41Å; L280-L284 WeakPolarHBondContact O-CG 3.46Å; L280-L284 PolarHBondContact O-N 2.76Å; L280-F368 HydrophobicContact CD1-CE1 4.17Å; L280-F368 HydrophobicContact CD1-CZ 4.12Å; L280-L372 HydrophobicContact CD1-CD2 3.43Å; L280-L372 VanDerWaalsContact CD1-CD2 3.43Å; L280-F384 HydrophobicContact CB-CE1 3.86Å; L280-F384 HydrophobicContact CB-CZ 3.78Å; L280-F384 HydrophobicContact CD1-CE1 4.47Å; L280-F384 HydrophobicContact CD1-CZ 3.96Å; L280-F384 HydrophobicContact CD2-CE1 4.46Å; L280-F384 HydrophobicContact CG-CZ 4.36Å; L280-V401 HydrophobicContact CD2-CB 4.3Å; L280-V401 HydrophobicContact CD2-CG2 3.98Å; L280-L403 HydrophobicContact CD2-CD1 3.71Å; L280-L423 HydrophobicContact CD2-CD1 3.49Å; L280-L423 VanDerWaalsContact CD2-CD1 3.49Å; L280-L423 HydrophobicContact CG-CD1 4.18Å
281	R	86.3	Confident	86.7	Confident	94 Å²	94	42.7 Å²	42.7	36%	0.355	21%	0.214	S	C	.	.	H	α-helix	trans	-63.5	-46	178.9	-166.4	-165.5	-38.3	-89	-0.9	111.3	R277 D278 F279 L284 I285	R277-R281 PolarHBondContact O-N 3.31Å; D278-R281 WeakPolarHBondContact O-CB 3.4Å; D278-R281 PolarHBondContact O-N 3.23Å; D278-R281 VanDerWaalsContact O-N 3.16Å; D278-R281 IonicContact OD1-CZ 3.92Å; D278-R281 IonicContact OD1-NE 2.85Å; D278-R281 IonicContact OD1-NH2 2.87Å; D278-R281 PolarHBondContact OD1-NH2 2.83Å; F279-R281 VanDerWaalsContact C-N 3.28Å; F279-R281 PolarHBondContact O-N 3.33Å; R281-L284 PolarHBondContact O-N 3.46Å; R281-I285 WeakPolarHBondContact O-CG1 3.24Å; R281-I285 PolarHBondContact O-N 3.24Å; R281-I285 VanDerWaalsContact O-N 3.15Å
282	E	83.3	Confident	87.3	Confident	9 Å²	9	40.2 Å²	40.2	4%	0.042	20%	0.199	C	C	.	.	H	α-helix	trans	-67.1	-39.4	176.6	-59.8	-51.4	131.7	0	0	111.7	L259 S262 A263 N266 D278 F279 L284 I285 W286	L259-E282 HydrophobicContact CB-CB 4.22Å; L259-E282 HydrophobicContact CD2-CB 4.17Å; S262-E282 WeakPolarHBondContact CB-OE2 3.34Å; S262-E282 PolarHBondContact OG-OE2 3.43Å; A263-E282 HydrophobicContact CB-CG 3.69Å; N266-E282 PolarHBondContact ND2-OE1 2.94Å; D278-E282 PolarHBondContact O-N 3.38Å; F279-E282 PolarHBondContact O-N 2.98Å; E282-L284 VanDerWaalsContact C-N 3.33Å; E282-L284 PolarHBondContact O-N 3.45Å; E282-I285 PolarHBondContact O-N 3.28Å; E282-W286 WeakPolarHBondContact O-CB 3.35Å; E282-W286 PolarHBondContact O-N 3.43Å
283	L	91.9	Very high	87.4	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-60.1	-42.2	175.8	-174	66.5	0	0	0	111.9	I254 L259 F279 L280 W286 F287 F368 L372 F384	I254-L283 HydrophobicContact CG2-CD1 3.94Å; L259-L283 HydrophobicContact CD1-CB 4.29Å; L259-L283 HydrophobicContact CD1-CD1 3.73Å; F279-L283 HydrophobicContact CE1-CD2 4.4Å; F279-L283 WeakPolarHBondContact O-CB 3.41Å; F279-L283 PolarHBondContact O-N 2.86Å; L280-L283 PolarHBondContact O-N 3.3Å; L283-W286 HydrophobicContact CD1-CE3 3.79Å; L283-W286 HydrophobicContact CD1-CZ3 3.9Å; L283-F287 WeakPolarHBondContact O-CB 3.01Å; L283-F287 PolarHBondContact O-N 2.93Å; L283-F368 HydrophobicContact CD2-CE2 4.25Å; L283-F368 HydrophobicContact CD2-CZ 4.11Å; L283-F368 HydrophobicContact CG-CE2 3.9Å; L283-F368 HydrophobicContact CG-CZ 4.06Å; L283-L372 HydrophobicContact CD2-CD2 4.15Å; L283-F384 HydrophobicContact CD2-CE2 4.34Å
284	L	87.9	Confident	87.5	Confident	2 Å²	2	37.2 Å²	37.2	1%	0.01	17%	0.173	C	C	.	.	H	α-helix	trans	-61.7	-45	174.6	-80.1	168.2	0	0	0	112.3	L280 R281 E282 F287 K288 F368 P418 V421 L423	L280-L284 HydrophobicContact CD1-CG 4.43Å; L280-L284 HydrophobicContact CG-CD1 4.41Å; L280-L284 WeakPolarHBondContact O-CG 3.46Å; L280-L284 PolarHBondContact O-N 2.76Å; R281-L284 PolarHBondContact O-N 3.46Å; E282-L284 VanDerWaalsContact C-N 3.33Å; E282-L284 PolarHBondContact O-N 3.45Å; L284-F287 PolarHBondContact O-N 2.74Å; L284-K288 PolarHBondContact O-N 2.98Å; L284-K288 VanDerWaalsContact O-N 3.15Å; L284-F368 HydrophobicContact CB-CZ 4.5Å; L284-F368 HydrophobicContact CD2-CD1 4.49Å; L284-F368 HydrophobicContact CD2-CE1 3.66Å; L284-F368 HydrophobicContact CD2-CE2 4.19Å; L284-F368 HydrophobicContact CD2-CZ 3.48Å; L284-F368 VanDerWaalsContact CD2-CZ 3.48Å; L284-F368 HydrophobicContact CG-CE1 4.23Å; L284-F368 HydrophobicContact CG-CZ 3.76Å; L284-P418 VanDerWaalsContact CD2-CA 3.46Å; L284-P418 HydrophobicContact CD2-CB 4Å; L284-V421 HydrophobicContact CB-CG1 3.96Å; L284-L423 HydrophobicContact CD1-CB 4.37Å
285	I	81.3	Confident	87.8	Confident	72 Å²	72	37.2 Å²	37.2	37%	0.369	17%	0.174	S	C	.	.	H	α-helix	trans	-61.3	-55.9	180	-68.8	165	0	0	0	109.3	R281 E282 F287 K288 S289 V421	R281-I285 WeakPolarHBondContact O-CG1 3.24Å; R281-I285 PolarHBondContact O-N 3.24Å; R281-I285 VanDerWaalsContact O-N 3.15Å; E282-I285 PolarHBondContact O-N 3.28Å; I285-F287 VanDerWaalsContact C-N 3.3Å; I285-F287 PolarHBondContact O-N 3.4Å; I285-K288 PolarHBondContact O-N 3.16Å; I285-S289 WeakPolarHBondContact O-CB 3.46Å; I285-S289 PolarHBondContact O-N 2.86Å; I285-S289 PolarHBondContact O-OG 3.03Å; I285-V421 HydrophobicContact CG1-CG1 3.84Å
286	W	85.9	Confident	87.3	Confident	16 Å²	16	34.9 Å²	34.9	6%	0.061	17%	0.165	C	C	.	.	H	α-helix	trans	-55.5	-44.8	178.3	164.3	79	0	0	0	112.3	L253 P255 L259 E282 L283 K288 S289 E290 F291 F371	L253-W286 VanDerWaalsContact O-CZ2 3.23Å; L253-W286 WeakPolarHBondContact O-CZ2 3.26Å; P255-W286 VanDerWaalsContact CD-CZ2 3.46Å; P255-W286 HydrophobicContact CG-CD2 4.17Å; P255-W286 HydrophobicContact CG-CG 4.11Å; P255-W286 HydrophobicContact CG-CZ2 4.33Å; L259-W286 HydrophobicContact CD2-CB 3.66Å; L259-W286 HydrophobicContact CD2-CG 4.14Å; E282-W286 WeakPolarHBondContact O-CB 3.35Å; E282-W286 PolarHBondContact O-N 3.43Å; L283-W286 HydrophobicContact CD1-CE3 3.79Å; L283-W286 HydrophobicContact CD1-CZ3 3.9Å; W286-K288 VanDerWaalsContact C-N 3.3Å; W286-K288 PolarHBondContact O-N 3.37Å; W286-S289 PolarHBondContact O-N 3.48Å; W286-E290 WeakPolarHBondContact O-CB 3.38Å; W286-E290 PolarHBondContact O-N 3.45Å; W286-F291 HydrophobicContact CD2-CB 4.24Å; W286-F291 HydrophobicContact CE3-CB 4.36Å; W286-F291 HydrophobicContact CH2-CB 3.86Å; W286-F291 HydrophobicContact CH2-CD1 4.4Å; W286-F291 AromaticContact CH2-CD2 3.59Å; W286-F291 HydrophobicContact CH2-CD2 3.59Å; W286-F291 HydrophobicContact CH2-CE2 4.27Å; W286-F291 AromaticContact CH2-CG 3.67Å; W286-F291 HydrophobicContact CH2-CG 3.67Å; W286-F291 HydrophobicContact CZ2-CB 3.68Å; W286-F291 AromaticContact CZ2-CD2 3.45Å; W286-F291 HydrophobicContact CZ2-CD2 3.45Å; W286-F291 VanDerWaalsContact CZ2-CD2 3.45Å; W286-F291 HydrophobicContact CZ2-CE2 4.36Å; W286-F291 AromaticContact CZ2-CG 3.76Å; W286-F291 HydrophobicContact CZ2-CG 3.76Å; W286-F291 HydrophobicContact CZ3-CB 4.18Å; W286-F291 HydrophobicContact CZ3-CG 4.28Å; W286-F291 PolarHBondContact O-N 3.3Å; W286-F291 VanDerWaalsContact O-N 3.12Å; W286-F371 HydrophobicContact CH2-CD1 4.48Å; W286-F371 AromaticContact CH2-CE1 3.83Å; W286-F371 HydrophobicContact CH2-CE1 3.83Å; W286-F371 HydrophobicContact CH2-CE2 4.4Å; W286-F371 AromaticContact CH2-CZ 3.79Å; W286-F371 HydrophobicContact CH2-CZ 3.79Å; W286-F371 HydrophobicContact CZ3-CD1 4.4Å; W286-F371 HydrophobicContact CZ3-CE1 4.18Å; W286-F371 HydrophobicContact CZ3-CE2 4.46Å; W286-F371 HydrophobicContact CZ3-CZ 4.21Å
287	F	91	Very high	86.5	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.182	C	C	.	.	I	π-helix	trans	-59.5	-43.8	-178.1	-175	-97.5	0	0	0	111.5	L283 L284 I285 F291 F292 W364 C367 F368 F371 P418	L283-F287 WeakPolarHBondContact O-CB 3.01Å; L283-F287 PolarHBondContact O-N 2.93Å; L284-F287 PolarHBondContact O-N 2.74Å; I285-F287 VanDerWaalsContact C-N 3.3Å; I285-F287 PolarHBondContact O-N 3.4Å; F287-F291 HydrophobicContact CD2-CB 4.31Å; F287-F291 AromaticContact CD2-CD1 3.74Å; F287-F291 HydrophobicContact CD2-CD1 3.74Å; F287-F291 HydrophobicContact CD2-CG 4.38Å; F287-F291 AromaticContact CE2-CD1 3.64Å; F287-F291 HydrophobicContact CE2-CD1 3.64Å; F287-F291 HydrophobicContact CE2-CE1 4.16Å; F287-F292 HydrophobicContact CD1-CB 4.09Å; F287-F292 HydrophobicContact CD2-CB 4.34Å; F287-F292 HydrophobicContact CE1-CB 3.63Å; F287-F292 HydrophobicContact CE1-CD1 4.31Å; F287-F292 AromaticContact CE1-CG 3.97Å; F287-F292 HydrophobicContact CE1-CG 3.97Å; F287-F292 HydrophobicContact CE2-CB 3.92Å; F287-F292 HydrophobicContact CE2-CD2 4.16Å; F287-F292 HydrophobicContact CE2-CG 4.2Å; F287-F292 HydrophobicContact CG-CB 4.43Å; F287-F292 HydrophobicContact CZ-CB 3.54Å; F287-F292 HydrophobicContact CZ-CD1 4.18Å; F287-F292 AromaticContact CZ-CD2 3.82Å; F287-F292 HydrophobicContact CZ-CD2 3.82Å; F287-F292 AromaticContact CZ-CG 3.59Å; F287-F292 HydrophobicContact CZ-CG 3.59Å; F287-F292 PolarHBondContact O-N 3.38Å; F287-W364 AromaticContact CD1-CE3 3.87Å; F287-W364 HydrophobicContact CD1-CE3 3.87Å; F287-W364 AromaticContact CD1-CZ3 3.91Å; F287-W364 HydrophobicContact CD1-CZ3 3.91Å; F287-W364 HydrophobicContact CE1-CD2 4.13Å; F287-W364 AromaticContact CE1-CE3 3.53Å; F287-W364 HydrophobicContact CE1-CE3 3.53Å; F287-W364 AromaticContact CE1-CZ3 3.99Å; F287-W364 HydrophobicContact CE1-CZ3 3.99Å; F287-C367 HydrophobicContact CE2-CB 4.39Å; F287-C367 HydrophobicContact CZ-CB 4.07Å; F287-F368 HydrophobicContact CB-CD2 3.83Å; F287-F368 HydrophobicContact CB-CE2 3.71Å; F287-F368 AromaticContact CD1-CD2 3.7Å; F287-F368 HydrophobicContact CD1-CD2 3.7Å; F287-F368 HydrophobicContact CD1-CE2 4.34Å; F287-F368 HydrophobicContact CD1-CG 4.44Å; F287-F368 AromaticContact CD2-CD2 3.67Å; F287-F368 HydrophobicContact CD2-CD2 3.67Å; F287-F368 HydrophobicContact CD2-CE2 4.33Å; F287-F368 HydrophobicContact CE1-CB 4.11Å; F287-F368 HydrophobicContact CE1-CD2 4.13Å; F287-F368 HydrophobicContact CE2-CB 4.36Å; F287-F368 HydrophobicContact CE2-CD2 4.08Å; F287-F368 AromaticContact CG-CD2 3.44Å; F287-F368 HydrophobicContact CG-CD2 3.44Å; F287-F368 VanDerWaalsContact CG-CD2 3.44Å; F287-F368 AromaticContact CG-CE2 3.89Å; F287-F368 HydrophobicContact CG-CE2 3.89Å; F287-F368 HydrophobicContact CZ-CB 4.03Å; F287-F368 HydrophobicContact CZ-CD2 4.3Å; F287-F371 AromaticContact CD2-CD2 3.88Å; F287-F371 HydrophobicContact CD2-CD2 3.88Å; F287-F371 AromaticContact CD2-CE2 3.97Å; F287-F371 HydrophobicContact CD2-CE2 3.97Å; F287-F371 AromaticContact CE2-CD2 3.68Å; F287-F371 HydrophobicContact CE2-CD2 3.68Å; F287-F371 AromaticContact CE2-CE2 3.69Å; F287-F371 HydrophobicContact CE2-CE2 3.69Å; F287-P418 HydrophobicContact CD1-CB 3.9Å; F287-P418 HydrophobicContact CE1-CB 4.05Å
288	K	84.7	Confident	86.2	Confident	61 Å²	61	37.3 Å²	37.3	27%	0.265	18%	0.179	S	C	.	.	I	π-helix	trans	-75.7	-40.5	178	-178.1	176.1	-175.8	164.6	0	113.6	L284 I285 W286 W364 C419 V421	L284-K288 PolarHBondContact O-N 2.98Å; L284-K288 VanDerWaalsContact O-N 3.15Å; I285-K288 PolarHBondContact O-N 3.16Å; W286-K288 VanDerWaalsContact C-N 3.3Å; W286-K288 PolarHBondContact O-N 3.37Å; K288-W364 HydrophobicContact CB-CH2 4.07Å; K288-W364 HydrophobicContact CB-CZ3 3.85Å; K288-W364 HydrophobicContact CG-CH2 3.81Å; K288-W364 HydrophobicContact CG-CZ3 3.96Å; K288-C419 WeakPolarHBondContact CD-O 3.48Å; K288-C419 WeakPolarHBondContact CE-O 3.32Å; K288-C419 PolarHBondContact NZ-O 3.24Å; K288-V421 HydrophobicContact CB-CG2 3.9Å; K288-V421 HydrophobicContact CD-CG2 3.15Å; K288-V421 HydrophobicContact CG-CG2 4.14Å
289	S	77	Confident	86.2	Confident	56 Å²	56	39.5 Å²	39.5	39%	0.392	19%	0.192	S	C	.	.	I	π-helix	trans	-84.3	-27.3	-170.6	59.6	0	0	0	0	113.7	I285 W286	I285-S289 WeakPolarHBondContact O-CB 3.46Å; I285-S289 PolarHBondContact O-N 2.86Å; I285-S289 PolarHBondContact O-OG 3.03Å; W286-S289 PolarHBondContact O-N 3.48Å
290	E	81	Confident	85.8	Confident	104 Å²	104	39.6 Å²	39.6	49%	0.486	19%	0.193	S	C	.	.	I	π-helix	trans	-130.8	-41.6	-167.6	-67.5	174.9	-136.4	0	0	113.3	W286	W286-E290 WeakPolarHBondContact O-CB 3.38Å; W286-E290 PolarHBondContact O-N 3.45Å
291	F	86.3	Confident	85.3	Confident	9 Å²	9	46.4 Å²	46.4	4%	0.039	22%	0.223	C	C	.	.	I	π-helix	trans	-84.5	-56.9	-171.4	-171.3	-99	0	0	0	113.3	L253 W286 F287 L354 R357 F371	L253-F291 HydrophobicContact CB-CE2 4.14Å; L253-F291 HydrophobicContact CD1-CE2 4.07Å; L253-F291 HydrophobicContact CD1-CZ 4.06Å; W286-F291 HydrophobicContact CD2-CB 4.24Å; W286-F291 HydrophobicContact CE3-CB 4.36Å; W286-F291 HydrophobicContact CH2-CB 3.86Å; W286-F291 HydrophobicContact CH2-CD1 4.4Å; W286-F291 AromaticContact CH2-CD2 3.59Å; W286-F291 HydrophobicContact CH2-CD2 3.59Å; W286-F291 HydrophobicContact CH2-CE2 4.27Å; W286-F291 AromaticContact CH2-CG 3.67Å; W286-F291 HydrophobicContact CH2-CG 3.67Å; W286-F291 HydrophobicContact CZ2-CB 3.68Å; W286-F291 AromaticContact CZ2-CD2 3.45Å; W286-F291 HydrophobicContact CZ2-CD2 3.45Å; W286-F291 VanDerWaalsContact CZ2-CD2 3.45Å; W286-F291 HydrophobicContact CZ2-CE2 4.36Å; W286-F291 AromaticContact CZ2-CG 3.76Å; W286-F291 HydrophobicContact CZ2-CG 3.76Å; W286-F291 HydrophobicContact CZ3-CB 4.18Å; W286-F291 HydrophobicContact CZ3-CG 4.28Å; W286-F291 PolarHBondContact O-N 3.3Å; W286-F291 VanDerWaalsContact O-N 3.12Å; F287-F291 HydrophobicContact CD2-CB 4.31Å; F287-F291 AromaticContact CD2-CD1 3.74Å; F287-F291 HydrophobicContact CD2-CD1 3.74Å; F287-F291 HydrophobicContact CD2-CG 4.38Å; F287-F291 AromaticContact CE2-CD1 3.64Å; F287-F291 HydrophobicContact CE2-CD1 3.64Å; F287-F291 HydrophobicContact CE2-CE1 4.16Å; F291-L354 HydrophobicContact CE1-CD2 4.47Å; F291-L354 HydrophobicContact CZ-CD2 4.17Å; F291-R357 HydrophobicContact CE1-CG 4.06Å; F291-R357 HydrophobicContact CE2-CG 4.39Å; F291-R357 VanDerWaalsContact CE2-CZ 3.47Å; F291-R357 HydrophobicContact CZ-CG 3.92Å; F291-R357 WeakPolarHBondContact O-CB 3.49Å; F291-R357 WeakPolarHBondContact O-CD 3.29Å; F291-F371 AromaticContact CD1-CE2 3.74Å; F291-F371 HydrophobicContact CD1-CE2 3.74Å; F291-F371 HydrophobicContact CD1-CZ 4.02Å; F291-F371 HydrophobicContact CD2-CZ 4.37Å; F291-F371 AromaticContact CE1-CE2 3.36Å; F291-F371 HydrophobicContact CE1-CE2 3.36Å; F291-F371 AromaticContact CE1-CZ 3.55Å; F291-F371 HydrophobicContact CE1-CZ 3.55Å; F291-F371 AromaticContact CE2-CZ 3.9Å; F291-F371 HydrophobicContact CE2-CZ 3.9Å; F291-F371 HydrophobicContact CG-CE2 4.49Å; F291-F371 HydrophobicContact CG-CZ 4.42Å; F291-F371 AromaticContact CZ-CE2 3.82Å; F291-F371 HydrophobicContact CZ-CE2 3.82Å; F291-F371 AromaticContact CZ-CZ 3.48Å; F291-F371 HydrophobicContact CZ-CZ 3.48Å; F291-F371 VanDerWaalsContact CZ-CZ 3.48Å
292	F	91.9	Very high	85.3	Confident	3 Å²	3	45.9 Å²	45.9	1%	0.013	23%	0.23	C	C	.	.			trans	-114.6	144	-167.9	-145.5	-98.9	0	0	0	111.7	F287 L353 R357 E363 W364 C367	F287-F292 HydrophobicContact CD1-CB 4.09Å; F287-F292 HydrophobicContact CD2-CB 4.34Å; F287-F292 HydrophobicContact CE1-CB 3.63Å; F287-F292 HydrophobicContact CE1-CD1 4.31Å; F287-F292 AromaticContact CE1-CG 3.97Å; F287-F292 HydrophobicContact CE1-CG 3.97Å; F287-F292 HydrophobicContact CE2-CB 3.92Å; F287-F292 HydrophobicContact CE2-CD2 4.16Å; F287-F292 HydrophobicContact CE2-CG 4.2Å; F287-F292 HydrophobicContact CG-CB 4.43Å; F287-F292 HydrophobicContact CZ-CB 3.54Å; F287-F292 HydrophobicContact CZ-CD1 4.18Å; F287-F292 AromaticContact CZ-CD2 3.82Å; F287-F292 HydrophobicContact CZ-CD2 3.82Å; F287-F292 AromaticContact CZ-CG 3.59Å; F287-F292 HydrophobicContact CZ-CG 3.59Å; F287-F292 PolarHBondContact O-N 3.38Å; F292-L353 HydrophobicContact CE2-CB 4.24Å; F292-L353 HydrophobicContact CZ-CB 4.45Å; F292-L353 HydrophobicContact CZ-CD2 4.46Å; F292-R357 HydrophobicContact CD2-CB 4.21Å; F292-R357 VanDerWaalsContact CE2-CA 3.47Å; F292-E363 HydrophobicContact CE1-CB 4.26Å; F292-E363 HydrophobicContact CZ-CB 4.12Å; F292-W364 AromaticContact CD1-CD1 3.52Å; F292-W364 AromaticContact CD1-CD2 3.8Å; F292-W364 HydrophobicContact CD1-CD2 3.8Å; F292-W364 AromaticContact CD1-CE2 3.59Å; F292-W364 AromaticContact CD1-CG 3.8Å; F292-W364 HydrophobicContact CD1-CG 3.8Å; F292-W364 HydrophobicContact CD1-CZ2 4.17Å; F292-W364 AromaticContact CD1-NE1 3.44Å; F292-W364 AromaticContact CE1-CD1 3.44Å; F292-W364 VanDerWaalsContact CE1-CD1 3.44Å; F292-W364 HydrophobicContact CE1-CD2 4.44Å; F292-W364 AromaticContact CE1-CG 3.96Å; F292-W364 HydrophobicContact CE1-CG 3.96Å; F292-W364 AromaticContact CE1-NE1 3.7Å; F292-C367 HydrophobicContact CD2-CB 4.42Å; F292-C367 HydrophobicContact CE2-CB 3.92Å; F292-C367 HydrophobicContact CZ-CB 4.32Å
293	K	87.4	Confident	85.2	Confident	121 Å²	121	48 Å²	48	53%	0.526	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	144.4	-175.9	-64.5	-175.7	-177.9	177.3	0	112.1	R357 L358 G359 W364	K293-R357 PolarHBondContact N-O 2.76Å; K293-L358 HydrophobicContact CB-CD1 3.93Å; K293-L358 WeakPolarHBondContact O-CA 3.47Å; K293-G359 PolarHBondContact O-N 2.88Å; K293-W364 PolarHBondContact O-NE1 3.41Å
294	W	88.9	Confident	84.7	Confident	43 Å²	43	49 Å²	49	16%	0.163	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	140.8	174.6	-171.5	-91.1	0	0	0	109.9	D296 G359 R360 C361 W364 C419 T547	W294-D296 VanDerWaalsContact CD1-CG 3.41Å; W294-D296 VanDerWaalsContact CD1-OD2 3.29Å; W294-D296 PolarHBondContact O-N 2.94Å; W294-G359 WeakPolarHBondContact CA-O 3.39Å; W294-R360 HydrophobicContact CH2-CB 4.05Å; W294-R360 HydrophobicContact CZ2-CB 4.19Å; W294-R360 HydrophobicContact CZ2-CG 4.28Å; W294-R360 HydrophobicContact CZ3-CB 4.41Å; W294-C361 HydrophobicContact CH2-CB 4.39Å; W294-C361 HydrophobicContact CZ3-CB 4.46Å; W294-W364 HydrophobicContact CB-CZ2 4.09Å; W294-W364 AromaticContact CE3-CE2 3.92Å; W294-W364 HydrophobicContact CE3-CZ2 4.4Å; W294-W364 AromaticContact CE3-NE1 3.61Å; W294-C419 HydrophobicContact CZ3-CB 4.14Å; W294-T547 HydrophobicContact CE3-CG2 4.24Å; W294-T547 HydrophobicContact CZ3-CG2 4.45Å
295	A	91.3	Very high	84.2	Confident	2 Å²	2	49.9 Å²	49.9	2%	0.017	27%	0.265	C	S	.	.	S	Bend	trans	-92.4	85.2	-176.8	0	0	0	0	0	112	F298 F344 L358 G359 R360	A295-F298 HydrophobicContact CB-CE2 4.4Å; A295-F298 HydrophobicContact CB-CZ 3.86Å; A295-F344 HydrophobicContact CB-CD1 4.42Å; A295-F344 HydrophobicContact CB-CE1 3.76Å; A295-F344 HydrophobicContact CB-CE2 4.05Å; A295-F344 HydrophobicContact CB-CZ 3.58Å; A295-L358 HydrophobicContact CB-CD1 4.19Å; A295-L358 HydrophobicContact CB-CG 4.3Å; A295-G359 PolarHBondContact N-O 2.8Å; A295-R360 HydrophobicContact CB-CG 4.19Å
296	D	80.7	Confident	84.2	Confident	62 Å²	62	51.9 Å²	51.9	33%	0.332	27%	0.271	S	S	.	.			trans	-143.6	-35.6	175.2	56.4	-2.5	0	0	0	114.6	W294 F298	W294-D296 VanDerWaalsContact CD1-CG 3.41Å; W294-D296 VanDerWaalsContact CD1-OD2 3.29Å; W294-D296 PolarHBondContact O-N 2.94Å; D296-F298 PolarHBondContact O-N 3.43Å; D296-F298 VanDerWaalsContact O-N 3.16Å
297	D	75.9	Confident	84.3	Confident	98 Å²	98	51.8 Å²	51.8	52%	0.524	27%	0.272	S	S	.	.			trans	-90.1	55.8	-176.4	-79.4	-38.7	0	0	0	114.3	V299 K306	D297-V299 PolarHBondContact O-N 3.4Å; D297-K306 IonicContact OD1-NZ 3.78Å; D297-K306 PolarHBondContact OD1-NZ 2.84Å
298	F	87.4	Confident	84.3	Confident	12 Å²	12	55.1 Å²	55.1	5%	0.053	29%	0.292	C	S	.	.			trans	-70.6	126.6	175.1	-59.9	-68	0	0	0	111.7	A295 D296 M307 Y331 Y342 F344 L358	A295-F298 HydrophobicContact CB-CE2 4.4Å; A295-F298 HydrophobicContact CB-CZ 3.86Å; D296-F298 PolarHBondContact O-N 3.43Å; D296-F298 VanDerWaalsContact O-N 3.16Å; F298-M307 HydrophobicContact CB-CB 4.15Å; F298-M307 PolarHBondContact O-N 2.82Å; F298-Y331 HydrophobicContact CB-CD1 4.5Å; F298-Y331 AromaticContact CD2-CD1 3.57Å; F298-Y331 HydrophobicContact CD2-CD1 3.57Å; F298-Y331 AromaticContact CD2-CD2 3.88Å; F298-Y331 HydrophobicContact CD2-CD2 3.88Å; F298-Y331 AromaticContact CD2-CE1 3.45Å; F298-Y331 HydrophobicContact CD2-CE1 3.45Å; F298-Y331 VanDerWaalsContact CD2-CE1 3.45Å; F298-Y331 AromaticContact CD2-CE2 3.79Å; F298-Y331 HydrophobicContact CD2-CE2 3.79Å; F298-Y331 AromaticContact CD2-CG 3.8Å; F298-Y331 HydrophobicContact CD2-CG 3.8Å; F298-Y331 AromaticContact CD2-CZ 3.59Å; F298-Y331 HydrophobicContact CE2-CD1 4.2Å; F298-Y331 AromaticContact CE2-CD2 3.97Å; F298-Y331 HydrophobicContact CE2-CD2 3.97Å; F298-Y331 AromaticContact CE2-CE1 3.69Å; F298-Y331 HydrophobicContact CE2-CE1 3.69Å; F298-Y331 AromaticContact CE2-CE2 3.46Å; F298-Y331 HydrophobicContact CE2-CE2 3.46Å; F298-Y331 VanDerWaalsContact CE2-CE2 3.46Å; F298-Y331 HydrophobicContact CE2-CG 4.34Å; F298-Y331 AromaticContact CE2-CZ 3.31Å; F298-Y331 HydrophobicContact CG-CD1 4.36Å; F298-Y331 HydrophobicContact CG-CD2 4.46Å; F298-Y331 HydrophobicContact CG-CG 4.31Å; F298-Y331 HydrophobicContact CZ-CE2 4.15Å; F298-Y342 AromaticContact CD1-CD1 3.57Å; F298-Y342 HydrophobicContact CD1-CD1 3.57Å; F298-Y342 HydrophobicContact CD1-CD2 4.33Å; F298-Y342 AromaticContact CD1-CE1 3.27Å; F298-Y342 HydrophobicContact CD1-CE1 3.27Å; F298-Y342 HydrophobicContact CD1-CE2 4.05Å; F298-Y342 HydrophobicContact CD1-CG 4.12Å; F298-Y342 AromaticContact CD1-CZ 3.52Å; F298-Y342 AromaticContact CE1-CD1 3.83Å; F298-Y342 HydrophobicContact CE1-CD1 3.83Å; F298-Y342 AromaticContact CE1-CE1 3.16Å; F298-Y342 HydrophobicContact CE1-CE1 3.16Å; F298-Y342 AromaticContact CE1-CZ 3.58Å; F298-Y342 HydrophobicContact CG-CD1 4.14Å; F298-Y342 HydrophobicContact CG-CE1 4.25Å; F298-Y342 HydrophobicContact CZ-CE1 4.09Å; F298-F344 HydrophobicContact CE1-CB 4.34Å; F298-F344 HydrophobicContact CE1-CD2 4.47Å; F298-F344 HydrophobicContact CE1-CG 4.35Å; F298-F344 HydrophobicContact CZ-CB 3.92Å; F298-F344 AromaticContact CZ-CD1 3.96Å; F298-F344 HydrophobicContact CZ-CD1 3.96Å; F298-F344 HydrophobicContact CZ-CD2 4.1Å; F298-F344 AromaticContact CZ-CG 3.71Å; F298-F344 HydrophobicContact CZ-CG 3.71Å; F298-L358 HydrophobicContact CE1-CD2 4.14Å
299	V	84.5	Confident	84.5	Confident	65 Å²	65	55.9 Å²	55.9	39%	0.394	31%	0.309	S	S	.	.	B	Isolated β-bridge	trans	-113.6	140.2	178.9	-65.4	0	0	0	0	111.9	D297 K301 L667	D297-V299 PolarHBondContact O-N 3.4Å; V299-K301 PolarHBondContact O-N 2.92Å; V299-L667 HydrophobicContact CB-CD1 4.34Å; V299-L667 HydrophobicContact CG1-CD1 4.33Å; V299-L667 HydrophobicContact CG2-CD1 4.28Å
300	C	83.4	Confident	85.2	Confident	2 Å²	2	56.6 Å²	56.6	1%	0.014	31%	0.313	C	S	.	.			trans	-69.2	122.7	179.2	179.4	0	0	0	0	110.3	T302 C303 G304 G305 M307 C333 H339	C300-T302 PolarHBondContact O-N 3.2Å; C300-C303 PolarHBondContact O-N 3Å; C300-G304 VanDerWaalsContact O-CA 3.3Å; C300-G304 WeakPolarHBondContact O-CA 3.21Å; C300-G304 PolarHBondContact O-N 2.61Å; C300-G305 WeakPolarHBondContact CB-O 3.48Å; C300-G305 PolarHBondContact N-O 2.9Å; C300-M307 HydrophobicContact CB-CG 4.01Å; C300-M307 HydrophobicContact CB-SD 4.19Å; C300-C333 HydrophobicContact CB-CB 4.08Å; C300-H339 PolarHBondContact SG-ND1 3.34Å; C300-H339 VanDerWaalsContact SG-ND1 3.4Å
301	K	84.1	Confident	85.7	Confident	143 Å²	143	54.6 Å²	54.6	62%	0.622	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-19.2	178.7	-65.5	-173.1	179.3	-176.9	0	114.4	V299	V299-K301 PolarHBondContact O-N 2.92Å
302	T	84.7	Confident	86.1	Confident	84 Å²	84	59.7 Å²	59.7	52%	0.515	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-36.6	-176.7	-51	0	0	0	0	112.8	C300	C300-T302 PolarHBondContact O-N 3.2Å
303	C	82.7	Confident	86.2	Confident	53 Å²	53	63.1 Å²	63.1	36%	0.358	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.9	2.5	-174.9	68.9	0	0	0	0	115.2	C300 G305 C333	C300-C303 PolarHBondContact O-N 3Å; C303-G305 PolarHBondContact O-N 2.91Å; C303-C333 VanDerWaalsContact SG-SG 3.6Å
304	G	80	Confident	86.5	Confident	22 Å²	22	64.3 Å²	64.3	23%	0.227	36%	0.364	C	S	.	.			trans	70.9	-8.9	-178.3	0	0	0	0	0	115.4	C300	C300-G304 VanDerWaalsContact O-CA 3.3Å; C300-G304 WeakPolarHBondContact O-CA 3.21Å; C300-G304 PolarHBondContact O-N 2.61Å
305	G	77.7	Confident	86.8	Confident	19 Å²	19	63.5 Å²	63.5	20%	0.196	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-65.7	147.8	-177.6	0	0	0	0	0	113.4	C300 C303 M307	C300-G305 WeakPolarHBondContact CB-O 3.48Å; C300-G305 PolarHBondContact N-O 2.9Å; C303-G305 PolarHBondContact O-N 2.91Å; G305-M307 PolarHBondContact O-N 2.81Å
306	K	81.7	Confident	87	Confident	114 Å²	114	70.1 Å²	70.1	50%	0.496	39%	0.389	S	S	.	.	B	Isolated β-bridge	trans	-56.7	135.5	174.4	-72.7	-157.1	179.8	-153	0	110.7	D297	D297-K306 IonicContact OD1-NZ 3.78Å; D297-K306 PolarHBondContact OD1-NZ 2.84Å
307	M	88.8	Confident	87.5	Confident	15 Å²	15	72.9 Å²	72.9	7%	0.074	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	151.7	176	-54	-171.9	78	0	0	110.1	F298 C300 G305 Y331 Q332 C333 Y342	F298-M307 HydrophobicContact CB-CB 4.15Å; F298-M307 PolarHBondContact O-N 2.82Å; C300-M307 HydrophobicContact CB-CG 4.01Å; C300-M307 HydrophobicContact CB-SD 4.19Å; G305-M307 PolarHBondContact O-N 2.81Å; M307-Y331 WeakPolarHBondContact CE-O 3.37Å; M307-Q332 WeakPolarHBondContact CA-O 3.24Å; M307-C333 HydrophobicContact CE-CB 4.39Å; M307-Y342 VanDerWaalsContact SD-CB 3.53Å; M307-Y342 HydrophobicContact SD-CG 4.47Å
308	V	89.3	Confident	88.4	Confident	70 Å²	70	72.3 Å²	72.3	42%	0.424	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	144.9	-179.3	-65.5	0	0	0	0	110	C310 Y331 Q332 K334	V308-C310 PolarHBondContact O-N 3.03Å; V308-Y331 CarbonylContact O-C 3.57Å; V308-Y331 VanDerWaalsContact O-CA 3.24Å; V308-Y331 WeakPolarHBondContact O-CA 3.33Å; V308-Q332 PolarHBondContact N-O 3.46Å; V308-Q332 PolarHBondContact O-N 2.67Å; V308-K334 HydrophobicContact CG1-CB 4.43Å; V308-K334 HydrophobicContact CG1-CD 4.39Å
309	A	90.4	Very high	88.7	Confident	76 Å²	76	72.3 Å²	72.3	63%	0.628	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.5	130.9	175.1	0	0	0	0	0	110	Y331	A309-Y331 HydrophobicContact CB-CD1 4.19Å; A309-Y331 HydrophobicContact CB-CE1 3.86Å
310	C	90.1	Very high	89	Confident	71 Å²	71	73.7 Å²	73.7	48%	0.48	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	-53	-173.2	178.4	0	0	0	0	111.6	V308 I330 Q332	V308-C310 PolarHBondContact O-N 3.03Å; C310-I330 WeakPolarHBondContact CB-O 3.34Å; C310-I330 PolarHBondContact N-O 2.85Å; C310-Q332 HydrophobicContact CB-CB 3.93Å
311	S	92.9	Very high	89.4	Confident	62 Å²	62	78.6 Å²	78.6	43%	0.434	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	173.1	-176.3	61.7	0	0	0	0	111.2	I330	S311-I330 PolarHBondContact N-O 2.91Å; S311-I330 WeakPolarHBondContact O-CA 3.36Å; S311-I330 WeakPolarHBondContact O-CB 3.37Å; S311-I330 PolarHBondContact O-N 2.88Å
312	N	95.3	Very high	89.5	Confident	117 Å²	117	76.3 Å²	76.3	63%	0.626	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.5	152.4	162.9	-66	-27.5	0	0	0	109.5	V327 V328	N312-V327 HydrophobicContact CB-CG2 3.99Å; N312-V328 CarbonylContact C-O 3.52Å; N312-V328 VanDerWaalsContact CA-O 3.28Å; N312-V328 WeakPolarHBondContact CA-O 3.5Å
313	D	93.7	Very high	89.7	Confident	75 Å²	75	72.3 Å²	72.3	40%	0.401	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	164.8	-180	-167.3	16.3	0	0	0	110.9	V328 I330 R343	D313-V328 PolarHBondContact N-O 3.22Å; D313-V328 PolarHBondContact O-N 3.32Å; D313-I330 HydrophobicContact CB-CD1 3.81Å; D313-I330 HydrophobicContact CB-CG1 3.65Å; D313-R343 IonicContact OD2-CZ 3.9Å; D313-R343 IonicContact OD2-NH1 3.01Å; D313-R343 PolarHBondContact OD2-NH1 2.93Å; D313-R343 IonicContact OD2-NH2 2.66Å
314	Q	94	Very high	90.1	Very high	145 Å²	145	71 Å²	71	68%	0.678	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-73.2	143.1	174.1	-69.1	-63.5	-35.5	0	0	111	R343	Q314-R343 PolarHBondContact O-NH2 3.38Å
315	P	94.3	Very high	90.7	Very high	26 Å²	26	70 Å²	70	17%	0.169	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-61.5	143.4	170.6	-19.1	31.1	0	0	0	112.1	E319 M320 A325 N326 V328	P315-E319 WeakPolarHBondContact CA-OE2 3.39Å; P315-E319 HydrophobicContact CB-CB 4.15Å; P315-M320 HydrophobicContact CB-CB 4.4Å; P315-A325 HydrophobicContact CB-CB 4.1Å; P315-A325 HydrophobicContact CG-CB 4.13Å; P315-A325 VanDerWaalsContact CG-O 3.22Å; P315-A325 WeakPolarHBondContact CG-O 3.47Å; P315-N326 VanDerWaalsContact CG-C 3.49Å; P315-V328 HydrophobicContact CB-CG2 4.15Å; P315-V328 HydrophobicContact CG-CG2 4.17Å
316	R	94.6	Very high	91.3	Very high	142 Å²	142	74.7 Å²	74.7	54%	0.536	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-71.8	164.2	165.7	-64	174.1	177.7	-176.8	-1.2	110.2	D318 E319 M320	R316-D318 VanDerWaalsContact C-N 3.29Å; R316-D318 WeakPolarHBondContact CB-OD1 3.47Å; R316-D318 PolarHBondContact O-N 3.45Å; R316-E319 HydrophobicContact CB-CB 4.41Å; R316-E319 HydrophobicContact CB-CG 4.11Å; R316-E319 PolarHBondContact N-OE2 3.22Å; R316-E319 PolarHBondContact O-N 3.26Å; R316-E319 VanDerWaalsContact O-N 3.12Å; R316-M320 PolarHBondContact O-N 2.94Å
317	L	93	Very high	91.9	Very high	119 Å²	119	72 Å²	72	62%	0.623	40%	0.398	S	S	*	.	H	α-helix	trans	-59.4	-39.8	-176.7	-173	61.8	0	0	0	112.5	M320 N321	L317-M320 HydrophobicContact CD1-CE 3.79Å; L317-N321 VanDerWaalsContact O-CB 3.28Å; L317-N321 WeakPolarHBondContact O-CB 3.22Å; L317-N321 PolarHBondContact O-N 2.89Å; L317-N321 PolarHBondContact O-ND2 3.49Å
318	D	92.9	Very high	92.3	Very high	87 Å²	87	71.2 Å²	71.2	47%	0.465	40%	0.395	S	S	.	.	H	α-helix	trans	-67.5	-43.9	173.6	59.1	-48.1	0	0	0	112.1	R316 M320 N321 D322	R316-D318 VanDerWaalsContact C-N 3.29Å; R316-D318 WeakPolarHBondContact CB-OD1 3.47Å; R316-D318 PolarHBondContact O-N 3.45Å; D318-M320 VanDerWaalsContact C-N 3.27Å; D318-M320 PolarHBondContact O-N 3.03Å; D318-N321 PolarHBondContact O-N 3.15Å; D318-D322 VanDerWaalsContact O-CB 3.31Å; D318-D322 WeakPolarHBondContact O-CB 3.38Å; D318-D322 PolarHBondContact O-N 3.21Å
319	E	94.9	Very high	92.6	Very high	12 Å²	12	69 Å²	69	6%	0.056	38%	0.38	C	S	.	.	H	α-helix	trans	-61.3	-36.4	177.3	-64.2	168.6	162.4	0	0	111.9	P315 R316 G323 A325 V328 R343 P345 Y347	P315-E319 WeakPolarHBondContact CA-OE2 3.39Å; P315-E319 HydrophobicContact CB-CB 4.15Å; R316-E319 HydrophobicContact CB-CB 4.41Å; R316-E319 HydrophobicContact CB-CG 4.11Å; R316-E319 PolarHBondContact N-OE2 3.22Å; R316-E319 PolarHBondContact O-N 3.26Å; R316-E319 VanDerWaalsContact O-N 3.12Å; E319-G323 PolarHBondContact O-N 3Å; E319-A325 HydrophobicContact CB-CB 4.38Å; E319-A325 WeakPolarHBondContact O-CB 3.41Å; E319-A325 PolarHBondContact O-N 2.93Å; E319-V328 WeakPolarHBondContact OE2-CG2 3.22Å; E319-R343 IonicContact OE1-CZ 3.36Å; E319-R343 IonicContact OE1-NE 3.96Å; E319-R343 PolarHBondContact OE1-NE 3.12Å; E319-R343 IonicContact OE1-NH2 3.64Å; E319-R343 IonicContact OE2-CZ 3.46Å; E319-R343 IonicContact OE2-NE 2.74Å; E319-R343 IonicContact OE2-NH2 3.13Å; E319-R343 PolarHBondContact OE2-NH2 3.32Å; E319-P345 HydrophobicContact CB-CB 4.35Å; E319-P345 HydrophobicContact CB-CG 4.4Å; E319-P345 HydrophobicContact CG-CB 4.32Å; E319-P345 HydrophobicContact CG-CG 3.83Å; E319-P345 WeakPolarHBondContact OE1-CG 3.48Å; E319-Y347 HydrophobicContact CB-CE1 4.21Å; E319-Y347 WeakPolarHBondContact O-CE1 3.47Å
320	M	91.4	Very high	92.9	Very high	94 Å²	94	66 Å²	66	46%	0.463	35%	0.353	S	S	.	.	H	α-helix	trans	-73.8	-49.2	176	-173.5	177.8	64.9	0	0	112.1	P315 R316 L317 D318 G324	P315-M320 HydrophobicContact CB-CB 4.4Å; R316-M320 PolarHBondContact O-N 2.94Å; L317-M320 HydrophobicContact CD1-CE 3.79Å; D318-M320 VanDerWaalsContact C-N 3.27Å; D318-M320 PolarHBondContact O-N 3.03Å; M320-G324 WeakPolarHBondContact O-CA 3.34Å; M320-G324 PolarHBondContact O-N 3.48Å
321	N	90.2	Very high	93.1	Very high	105 Å²	105	63.3 Å²	63.3	56%	0.561	33%	0.333	S	S	*	.	H	α-helix	trans	-71.9	-44.3	-174	-69.6	-12.9	0	0	0	112.7	L317 D318	L317-N321 VanDerWaalsContact O-CB 3.28Å; L317-N321 WeakPolarHBondContact O-CB 3.22Å; L317-N321 PolarHBondContact O-N 2.89Å; L317-N321 PolarHBondContact O-ND2 3.49Å; D318-N321 PolarHBondContact O-N 3.15Å
322	D	86.5	Confident	93.2	Very high	94 Å²	94	62.8 Å²	62.8	50%	0.503	32%	0.324	S	S	.	.	H	α-helix	trans	-82.8	-37.6	-172.9	-64.4	-6	0	0	0	111.5	D318 N349	D318-D322 VanDerWaalsContact O-CB 3.31Å; D318-D322 WeakPolarHBondContact O-CB 3.38Å; D318-D322 PolarHBondContact O-N 3.21Å; D322-N349 PolarHBondContact O-ND2 3.27Å
323	G	89.3	Confident	93	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-115	-5.5	-170.2	0	0	0	0	0	115.5	E319 A325 Y347 N348 N349	E319-G323 PolarHBondContact O-N 3Å; G323-A325 PolarHBondContact O-N 3.03Å; G323-Y347 VanDerWaalsContact CA-CD1 3.42Å; G323-Y347 CarbonylContact O-C 3.59Å; G323-Y347 WeakPolarHBondContact O-CA 3.29Å; G323-N348 PolarHBondContact O-N 3.24Å; G323-N349 WeakPolarHBondContact O-CB 3.43Å; G323-N349 PolarHBondContact O-N 3.41Å
324	G	91.2	Very high	92.7	Very high	26 Å²	26	61.6 Å²	61.6	27%	0.268	31%	0.31	S	S	.	.			trans	60.1	32.9	-176.2	0	0	0	0	0	112.8	M320 N348	M320-G324 WeakPolarHBondContact O-CA 3.34Å; M320-G324 PolarHBondContact O-N 3.48Å; G324-N348 WeakPolarHBondContact O-CB 3.49Å; G324-N348 PolarHBondContact O-ND2 3.39Å
325	A	93.5	Very high	92.3	Very high	1 Å²	1	59.8 Å²	59.8	1%	0.008	31%	0.309	C	S	.	.			trans	-69.8	135	178.3	0	0	0	0	0	110.8	P315 E319 G323 P345 R346 Y347	P315-A325 HydrophobicContact CB-CB 4.1Å; P315-A325 HydrophobicContact CG-CB 4.13Å; P315-A325 VanDerWaalsContact CG-O 3.22Å; P315-A325 WeakPolarHBondContact CG-O 3.47Å; E319-A325 HydrophobicContact CB-CB 4.38Å; E319-A325 WeakPolarHBondContact O-CB 3.41Å; E319-A325 PolarHBondContact O-N 2.93Å; G323-A325 PolarHBondContact O-N 3.03Å; A325-P345 HydrophobicContact CB-CB 3.97Å; A325-R346 WeakPolarHBondContact CA-O 3.35Å; A325-Y347 HydrophobicContact CB-CD1 3.81Å; A325-Y347 HydrophobicContact CB-CE1 4.12Å
326	N	90	Very high	91.9	Very high	118 Å²	118	61.4 Å²	61.4	63%	0.631	32%	0.316	S	S	*	.	S	Bend	trans	-106.9	-18.5	174.3	-68.9	-33	0	0	0	112.8	P315 N348	P315-N326 VanDerWaalsContact CG-C 3.49Å; N326-N348 PolarHBondContact ND2-ND2 3.23Å
327	V	94.4	Very high	91.6	Very high	56 Å²	56	64.1 Å²	64.1	34%	0.339	33%	0.326	S	S	.	.			trans	-150.2	149.4	179.4	66.6	0	0	0	0	109.5	N312 R346	N312-V327 HydrophobicContact CB-CG2 3.99Å; V327-R346 HydrophobicContact CG1-CB 3.82Å; V327-R346 HydrophobicContact CG1-CG 3.6Å; V327-R346 WeakPolarHBondContact O-CB 3.16Å; V327-R346 PolarHBondContact O-N 3.45Å
328	V	96.3	Very high	91.5	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	127	174.8	-176.7	0	0	0	0	109.2	N312 D313 P315 E319 I330 R343 P345	N312-V328 CarbonylContact C-O 3.52Å; N312-V328 VanDerWaalsContact CA-O 3.28Å; N312-V328 WeakPolarHBondContact CA-O 3.5Å; D313-V328 PolarHBondContact N-O 3.22Å; D313-V328 PolarHBondContact O-N 3.32Å; P315-V328 HydrophobicContact CB-CG2 4.15Å; P315-V328 HydrophobicContact CG-CG2 4.17Å; E319-V328 WeakPolarHBondContact OE2-CG2 3.22Å; V328-I330 HydrophobicContact CG1-CD1 3.86Å; V328-R343 HydrophobicContact CG1-CB 3.87Å; V328-R343 HydrophobicContact CG1-CG 4.37Å; V328-P345 HydrophobicContact CG1-CG 4.24Å; V328-P345 HydrophobicContact CG2-CB 4.03Å; V328-P345 HydrophobicContact CG2-CG 4.23Å
329	E	95.9	Very high	91.5	Very high	22 Å²	22	61.6 Å²	61.6	10%	0.103	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	132.2	171.1	-60.9	-179.8	-153.6	0	0	109.6	Y331 F344 R346 R360	E329-Y331 HydrophobicContact CB-CD2 4.47Å; E329-Y331 HydrophobicContact CB-CE2 3.69Å; E329-Y331 PolarHBondContact OE2-OH 3.21Å; E329-F344 HydrophobicContact CB-CB 4.3Å; E329-F344 HydrophobicContact CB-CD1 4.19Å; E329-F344 HydrophobicContact CG-CD1 4.37Å; E329-F344 PolarHBondContact N-O 3.46Å; E329-F344 PolarHBondContact O-N 3.31Å; E329-R346 HydrophobicContact CG-CG 4.45Å; E329-R346 WeakPolarHBondContact OE1-CD 3.44Å; E329-R346 IonicContact OE1-CZ 3.43Å; E329-R346 IonicContact OE1-NE 3.41Å; E329-R346 IonicContact OE1-NH1 3.54Å; E329-R346 PolarHBondContact OE1-NH1 3.3Å; E329-R360 IonicContact OE1-CZ 3.66Å; E329-R360 VanDerWaalsContact OE1-CZ 3.31Å; E329-R360 IonicContact OE1-NH1 3.98Å; E329-R360 PolarHBondContact OE1-NH1 2.89Å; E329-R360 IonicContact OE1-NH2 2.65Å; E329-R360 IonicContact OE2-CZ 3.55Å; E329-R360 VanDerWaalsContact OE2-CZ 3.27Å; E329-R360 IonicContact OE2-NH1 2.75Å; E329-R360 PolarHBondContact OE2-NH1 3.23Å; E329-R360 IonicContact OE2-NH2 3.39Å; E329-R360 PolarHBondContact OE2-NH2 2.92Å
330	I	96.3	Very high	91.4	Very high	14 Å²	14	65.4 Å²	65.4	7%	0.072	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	126.3	-178.5	-54	-60.4	0	0	0	109.4	C310 S311 D313 V328 R343	C310-I330 WeakPolarHBondContact CB-O 3.34Å; C310-I330 PolarHBondContact N-O 2.85Å; S311-I330 PolarHBondContact N-O 2.91Å; S311-I330 WeakPolarHBondContact O-CA 3.36Å; S311-I330 WeakPolarHBondContact O-CB 3.37Å; S311-I330 PolarHBondContact O-N 2.88Å; D313-I330 HydrophobicContact CB-CD1 3.81Å; D313-I330 HydrophobicContact CB-CG1 3.65Å; V328-I330 HydrophobicContact CG1-CD1 3.86Å; I330-R343 HydrophobicContact CD1-CB 4.39Å; I330-R343 HydrophobicContact CD1-CG 3.78Å
331	Y	95.1	Very high	91.5	Very high	14 Å²	14	64.1 Å²	64.1	6%	0.055	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	135.9	176.3	-65.3	-103.4	0	0	0	110	F298 M307 V308 A309 E329 S341 Y342 F344 R360	F298-Y331 HydrophobicContact CB-CD1 4.5Å; F298-Y331 AromaticContact CD2-CD1 3.57Å; F298-Y331 HydrophobicContact CD2-CD1 3.57Å; F298-Y331 AromaticContact CD2-CD2 3.88Å; F298-Y331 HydrophobicContact CD2-CD2 3.88Å; F298-Y331 AromaticContact CD2-CE1 3.45Å; F298-Y331 HydrophobicContact CD2-CE1 3.45Å; F298-Y331 VanDerWaalsContact CD2-CE1 3.45Å; F298-Y331 AromaticContact CD2-CE2 3.79Å; F298-Y331 HydrophobicContact CD2-CE2 3.79Å; F298-Y331 AromaticContact CD2-CG 3.8Å; F298-Y331 HydrophobicContact CD2-CG 3.8Å; F298-Y331 AromaticContact CD2-CZ 3.59Å; F298-Y331 HydrophobicContact CE2-CD1 4.2Å; F298-Y331 AromaticContact CE2-CD2 3.97Å; F298-Y331 HydrophobicContact CE2-CD2 3.97Å; F298-Y331 AromaticContact CE2-CE1 3.69Å; F298-Y331 HydrophobicContact CE2-CE1 3.69Å; F298-Y331 AromaticContact CE2-CE2 3.46Å; F298-Y331 HydrophobicContact CE2-CE2 3.46Å; F298-Y331 VanDerWaalsContact CE2-CE2 3.46Å; F298-Y331 HydrophobicContact CE2-CG 4.34Å; F298-Y331 AromaticContact CE2-CZ 3.31Å; F298-Y331 HydrophobicContact CG-CD1 4.36Å; F298-Y331 HydrophobicContact CG-CD2 4.46Å; F298-Y331 HydrophobicContact CG-CG 4.31Å; F298-Y331 HydrophobicContact CZ-CE2 4.15Å; M307-Y331 WeakPolarHBondContact CE-O 3.37Å; V308-Y331 CarbonylContact O-C 3.57Å; V308-Y331 VanDerWaalsContact O-CA 3.24Å; V308-Y331 WeakPolarHBondContact O-CA 3.33Å; A309-Y331 HydrophobicContact CB-CD1 4.19Å; A309-Y331 HydrophobicContact CB-CE1 3.86Å; E329-Y331 HydrophobicContact CB-CD2 4.47Å; E329-Y331 HydrophobicContact CB-CE2 3.69Å; E329-Y331 PolarHBondContact OE2-OH 3.21Å; Y331-S341 CarbonylContact O-C 3.55Å; Y331-S341 VanDerWaalsContact O-CA 3.25Å; Y331-S341 WeakPolarHBondContact O-CA 3.46Å; Y331-S341 VanDerWaalsContact O-CB 3.29Å; Y331-S341 WeakPolarHBondContact O-CB 3.37Å; Y331-Y342 HydrophobicContact CD2-CD1 4.48Å; Y331-Y342 PolarHBondContact N-O 3.07Å; Y331-Y342 PolarHBondContact O-N 3.44Å; Y331-F344 HydrophobicContact CD2-CB 4.45Å; Y331-F344 HydrophobicContact CE2-CB 4.08Å; Y331-F344 HydrophobicContact CE2-CD1 4.44Å; Y331-R360 PolarHBondContact OH-NH2 3.04Å
332	Q	94.2	Very high	91.7	Very high	52 Å²	52	62.3 Å²	62.3	24%	0.243	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	145.2	179.8	-168.9	171.5	26.5	0	0	110.9	M307 V308 C310 K334 R337	M307-Q332 WeakPolarHBondContact CA-O 3.24Å; V308-Q332 PolarHBondContact N-O 3.46Å; V308-Q332 PolarHBondContact O-N 2.67Å; C310-Q332 HydrophobicContact CB-CB 3.93Å; Q332-K334 PolarHBondContact O-N 3.44Å; Q332-R337 VanDerWaalsContact NE2-CB 3.32Å; Q332-R337 PolarHBondContact NE2-O 3.33Å; Q332-R337 VanDerWaalsContact NE2-O 3.15Å
333	C	91.3	Very high	92.1	Very high	2 Å²	2	60 Å²	60	1%	0.014	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	124.7	174.3	177	0	0	0	0	110.5	C300 C303 M307 T335 N336 H339	C300-C333 HydrophobicContact CB-CB 4.08Å; C303-C333 VanDerWaalsContact SG-SG 3.6Å; M307-C333 HydrophobicContact CE-CB 4.39Å; C333-T335 VanDerWaalsContact C-N 3.34Å; C333-T335 PolarHBondContact SG-N 3.28Å; C333-N336 VanDerWaalsContact CB-O 3.31Å; C333-N336 WeakPolarHBondContact CB-O 3.47Å; C333-N336 PolarHBondContact SG-N 3.14Å; C333-H339 HydrophobicContact CB-CB 3.87Å
334	K	87.4	Confident	92.4	Very high	165 Å²	165	60.4 Å²	60.4	72%	0.717	31%	0.314	S	S	*	.	S	Bend	trans	-67.7	-35.3	177.2	-171	178.3	-180	179.7	0	112.1	V308 Q332	V308-K334 HydrophobicContact CG1-CB 4.43Å; V308-K334 HydrophobicContact CG1-CD 4.39Å; Q332-K334 PolarHBondContact O-N 3.44Å
335	T	85.8	Confident	92.7	Very high	107 Å²	107	59.7 Å²	59.7	66%	0.656	31%	0.305	S	S	*	.	S	Bend	trans	-75	-40.1	-175.1	-48	0	0	0	0	112.9	C333	C333-T335 VanDerWaalsContact C-N 3.34Å; C333-T335 PolarHBondContact SG-N 3.28Å
336	N	86.2	Confident	92.8	Very high	60 Å²	60	61.6 Å²	61.6	32%	0.321	31%	0.312	S	S	.	.			trans	-149.4	114.9	179.4	-175.7	-2.7	0	0	0	110.9	C333 T338 H339	C333-N336 VanDerWaalsContact CB-O 3.31Å; C333-N336 WeakPolarHBondContact CB-O 3.47Å; C333-N336 PolarHBondContact SG-N 3.14Å; N336-T338 VanDerWaalsContact CG-OG1 3.32Å; N336-T338 PolarHBondContact ND2-OG1 3.39Å; N336-T338 VanDerWaalsContact ND2-OG1 3.12Å; N336-T338 PolarHBondContact O-N 2.93Å; N336-T338 PolarHBondContact OD1-N 3.33Å; N336-T338 PolarHBondContact OD1-OG1 3.21Å; N336-H339 PolarHBondContact ND2-CD2 2.82Å; N336-H339 PolarHBondContact ND2-NE2 2.92Å; N336-H339 WeakPolarHBondContact O-CB 3.29Å; N336-H339 PolarHBondContact O-N 2.85Å; N336-H339 VanDerWaalsContact O-N 3.14Å
337	R	88.6	Confident	93.1	Very high	199 Å²	199	57.6 Å²	57.6	75%	0.751	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-16.6	-178.1	-71.4	-170.3	-178.1	-175.6	-0.2	114.2	Q332 H339	Q332-R337 VanDerWaalsContact NE2-CB 3.32Å; Q332-R337 PolarHBondContact NE2-O 3.33Å; Q332-R337 VanDerWaalsContact NE2-O 3.15Å; R337-H339 VanDerWaalsContact C-N 3.32Å
338	T	91.1	Very high	93	Very high	118 Å²	118	56.7 Å²	56.7	72%	0.724	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-12.2	175.8	69.6	0	0	0	0	113.1	N336	N336-T338 VanDerWaalsContact CG-OG1 3.32Å; N336-T338 PolarHBondContact ND2-OG1 3.39Å; N336-T338 VanDerWaalsContact ND2-OG1 3.12Å; N336-T338 PolarHBondContact O-N 2.93Å; N336-T338 PolarHBondContact OD1-N 3.33Å; N336-T338 PolarHBondContact OD1-OG1 3.21Å
339	H	92.3	Very high	93	Very high	35 Å²	35	58.5 Å²	58.5	16%	0.162	29%	0.291	C	S	.	.	S	Bend	trans	-67.2	149.8	173.6	-66.1	177	0	0	0	110.8	C300 C333 N336 R337 S341	C300-H339 PolarHBondContact SG-ND1 3.34Å; C300-H339 VanDerWaalsContact SG-ND1 3.4Å; C333-H339 HydrophobicContact CB-CB 3.87Å; N336-H339 PolarHBondContact ND2-CD2 2.82Å; N336-H339 PolarHBondContact ND2-NE2 2.92Å; N336-H339 WeakPolarHBondContact O-CB 3.29Å; N336-H339 PolarHBondContact O-N 2.85Å; N336-H339 VanDerWaalsContact O-N 3.14Å; R337-H339 VanDerWaalsContact C-N 3.32Å; H339-S341 PolarHBondContact O-N 2.91Å
340	P	92.9	Very high	93	Very high	92 Å²	92	57.4 Å²	57.4	60%	0.597	29%	0.286	S	S	*	.	P	Polyproline II helix	trans	-55	137	178.1	-25	34.3	0	0	0	112.2
341	S	93.7	Very high	93	Very high	67 Å²	67	59.5 Å²	59.5	47%	0.469	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-70	153.4	171.5	57.1	0	0	0	0	111	Y331 H339	Y331-S341 CarbonylContact O-C 3.55Å; Y331-S341 VanDerWaalsContact O-CA 3.25Å; Y331-S341 WeakPolarHBondContact O-CA 3.46Å; Y331-S341 VanDerWaalsContact O-CB 3.29Å; Y331-S341 WeakPolarHBondContact O-CB 3.37Å; H339-S341 PolarHBondContact O-N 2.91Å
342	Y	94	Very high	93.1	Very high	66 Å²	66	60.7 Å²	60.7	26%	0.259	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	130.5	170.6	-176.6	-75.2	0	0	0	108.4	F298 M307 Y331 F344	F298-Y342 AromaticContact CD1-CD1 3.57Å; F298-Y342 HydrophobicContact CD1-CD1 3.57Å; F298-Y342 HydrophobicContact CD1-CD2 4.33Å; F298-Y342 AromaticContact CD1-CE1 3.27Å; F298-Y342 HydrophobicContact CD1-CE1 3.27Å; F298-Y342 HydrophobicContact CD1-CE2 4.05Å; F298-Y342 HydrophobicContact CD1-CG 4.12Å; F298-Y342 AromaticContact CD1-CZ 3.52Å; F298-Y342 AromaticContact CE1-CD1 3.83Å; F298-Y342 HydrophobicContact CE1-CD1 3.83Å; F298-Y342 AromaticContact CE1-CE1 3.16Å; F298-Y342 HydrophobicContact CE1-CE1 3.16Å; F298-Y342 AromaticContact CE1-CZ 3.58Å; F298-Y342 HydrophobicContact CG-CD1 4.14Å; F298-Y342 HydrophobicContact CG-CE1 4.25Å; F298-Y342 HydrophobicContact CZ-CE1 4.09Å; M307-Y342 VanDerWaalsContact SD-CB 3.53Å; M307-Y342 HydrophobicContact SD-CG 4.47Å; Y331-Y342 HydrophobicContact CD2-CD1 4.48Å; Y331-Y342 PolarHBondContact N-O 3.07Å; Y331-Y342 PolarHBondContact O-N 3.44Å; Y342-F344 HydrophobicContact CD1-CB 4.31Å; Y342-F344 HydrophobicContact CE1-CB 3.96Å
343	R	94.3	Very high	93.3	Very high	45 Å²	45	58.2 Å²	58.2	17%	0.17	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	126.3	175.7	-65.6	179.9	65.4	82	-3.9	108.7	D313 Q314 E319 V328 I330 P345	D313-R343 IonicContact OD2-CZ 3.9Å; D313-R343 IonicContact OD2-NH1 3.01Å; D313-R343 PolarHBondContact OD2-NH1 2.93Å; D313-R343 IonicContact OD2-NH2 2.66Å; Q314-R343 PolarHBondContact O-NH2 3.38Å; E319-R343 IonicContact OE1-CZ 3.36Å; E319-R343 IonicContact OE1-NE 3.96Å; E319-R343 PolarHBondContact OE1-NE 3.12Å; E319-R343 IonicContact OE1-NH2 3.64Å; E319-R343 IonicContact OE2-CZ 3.46Å; E319-R343 IonicContact OE2-NE 2.74Å; E319-R343 IonicContact OE2-NH2 3.13Å; E319-R343 PolarHBondContact OE2-NH2 3.32Å; V328-R343 HydrophobicContact CG1-CB 3.87Å; V328-R343 HydrophobicContact CG1-CG 4.37Å; I330-R343 HydrophobicContact CD1-CB 4.39Å; I330-R343 HydrophobicContact CD1-CG 3.78Å; R343-P345 WeakPolarHBondContact O-CD 3.29Å
344	F	96.1	Very high	93.6	Very high	9 Å²	9	58.3 Å²	58.3	4%	0.039	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	89.2	173.2	175.8	-129.5	0	0	0	109.6	A295 F298 E329 Y331 Y342 L358	A295-F344 HydrophobicContact CB-CD1 4.42Å; A295-F344 HydrophobicContact CB-CE1 3.76Å; A295-F344 HydrophobicContact CB-CE2 4.05Å; A295-F344 HydrophobicContact CB-CZ 3.58Å; F298-F344 HydrophobicContact CE1-CB 4.34Å; F298-F344 HydrophobicContact CE1-CD2 4.47Å; F298-F344 HydrophobicContact CE1-CG 4.35Å; F298-F344 HydrophobicContact CZ-CB 3.92Å; F298-F344 AromaticContact CZ-CD1 3.96Å; F298-F344 HydrophobicContact CZ-CD1 3.96Å; F298-F344 HydrophobicContact CZ-CD2 4.1Å; F298-F344 AromaticContact CZ-CG 3.71Å; F298-F344 HydrophobicContact CZ-CG 3.71Å; E329-F344 HydrophobicContact CB-CB 4.3Å; E329-F344 HydrophobicContact CB-CD1 4.19Å; E329-F344 HydrophobicContact CG-CD1 4.37Å; E329-F344 PolarHBondContact N-O 3.46Å; E329-F344 PolarHBondContact O-N 3.31Å; Y331-F344 HydrophobicContact CD2-CB 4.45Å; Y331-F344 HydrophobicContact CE2-CB 4.08Å; Y331-F344 HydrophobicContact CE2-CD1 4.44Å; Y342-F344 HydrophobicContact CD1-CB 4.31Å; Y342-F344 HydrophobicContact CE1-CB 3.96Å; F344-L358 HydrophobicContact CD2-CD2 4.37Å; F344-L358 HydrophobicContact CE2-CD2 4.37Å; F344-L358 HydrophobicContact CE2-CG 4.34Å
345	P	96.7	Very high	94	Very high	12 Å²	12	54.6 Å²	54.6	8%	0.078	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	131.6	175.8	-19.6	34	0	0	0	111.1	E319 A325 V328 R343 Y347	E319-P345 HydrophobicContact CB-CB 4.35Å; E319-P345 HydrophobicContact CB-CG 4.4Å; E319-P345 HydrophobicContact CG-CB 4.32Å; E319-P345 HydrophobicContact CG-CG 3.83Å; E319-P345 WeakPolarHBondContact OE1-CG 3.48Å; A325-P345 HydrophobicContact CB-CB 3.97Å; V328-P345 HydrophobicContact CG1-CG 4.24Å; V328-P345 HydrophobicContact CG2-CB 4.03Å; V328-P345 HydrophobicContact CG2-CG 4.23Å; R343-P345 WeakPolarHBondContact O-CD 3.29Å; P345-Y347 HydrophobicContact CB-CD1 4.07Å; P345-Y347 HydrophobicContact CB-CD2 4.45Å; P345-Y347 HydrophobicContact CB-CE1 3.63Å; P345-Y347 HydrophobicContact CB-CE2 4.01Å; P345-Y347 HydrophobicContact CB-CG 4.49Å; P345-Y347 HydrophobicContact CG-CE1 4.28Å; P345-Y347 HydrophobicContact CG-CE2 4.29Å; P345-Y347 PolarHBondContact O-N 3.04Å
346	R	95.7	Very high	94.5	Very high	41 Å²	41	52 Å²	52	16%	0.155	26%	0.257	C	S	.	.			trans	-82.1	82.7	176.9	-58.8	-55	-57.2	-122	-2.2	109.6	A325 V327 E329 R360 E363	A325-R346 WeakPolarHBondContact CA-O 3.35Å; V327-R346 HydrophobicContact CG1-CB 3.82Å; V327-R346 HydrophobicContact CG1-CG 3.6Å; V327-R346 WeakPolarHBondContact O-CB 3.16Å; V327-R346 PolarHBondContact O-N 3.45Å; E329-R346 HydrophobicContact CG-CG 4.45Å; E329-R346 WeakPolarHBondContact OE1-CD 3.44Å; E329-R346 IonicContact OE1-CZ 3.43Å; E329-R346 IonicContact OE1-NE 3.41Å; E329-R346 IonicContact OE1-NH1 3.54Å; E329-R346 PolarHBondContact OE1-NH1 3.3Å; R346-R360 VanDerWaalsContact NH1-CD 3.31Å; R346-E363 IonicContact CZ-OE1 3.8Å; R346-E363 IonicContact CZ-OE2 2.76Å; R346-E363 IonicContact NE-OE1 2.78Å; R346-E363 PolarHBondContact NE-OE1 3.16Å; R346-E363 IonicContact NE-OE2 2.68Å; R346-E363 IonicContact NH2-OE1 3.94Å; R346-E363 PolarHBondContact NH2-OE1 3.01Å; R346-E363 IonicContact NH2-OE2 3.09Å; R346-E363 PolarHBondContact NH2-OE2 2.56Å
347	Y	96.1	Very high	94.9	Very high	33 Å²	33	52.8 Å²	52.8	13%	0.129	26%	0.255	C	S	.	.			trans	-72.3	131.8	-175.6	-66	-52.8	0	0	0	112.5	E319 G323 A325 P345 K352 T356	E319-Y347 HydrophobicContact CB-CE1 4.21Å; E319-Y347 WeakPolarHBondContact O-CE1 3.47Å; G323-Y347 VanDerWaalsContact CA-CD1 3.42Å; G323-Y347 CarbonylContact O-C 3.59Å; G323-Y347 WeakPolarHBondContact O-CA 3.29Å; A325-Y347 HydrophobicContact CB-CD1 3.81Å; A325-Y347 HydrophobicContact CB-CE1 4.12Å; P345-Y347 HydrophobicContact CB-CD1 4.07Å; P345-Y347 HydrophobicContact CB-CD2 4.45Å; P345-Y347 HydrophobicContact CB-CE1 3.63Å; P345-Y347 HydrophobicContact CB-CE2 4.01Å; P345-Y347 HydrophobicContact CB-CG 4.49Å; P345-Y347 HydrophobicContact CG-CE1 4.28Å; P345-Y347 HydrophobicContact CG-CE2 4.29Å; P345-Y347 PolarHBondContact O-N 3.04Å; Y347-K352 HydrophobicContact CD1-CG 4.13Å; Y347-K352 HydrophobicContact CD2-CG 3.82Å; Y347-K352 HydrophobicContact CE1-CG 4.21Å; Y347-K352 HydrophobicContact CE2-CG 3.94Å; Y347-K352 HydrophobicContact CG-CB 4.47Å; Y347-K352 HydrophobicContact CG-CG 3.91Å; Y347-T356 HydrophobicContact CD2-CG2 4.04Å; Y347-T356 HydrophobicContact CE2-CG2 3.79Å
348	N	93.5	Very high	95.2	Very high	38 Å²	38	45 Å²	45	20%	0.203	23%	0.229	C	C	.	.			trans	-102.5	-16	176.7	-63.9	-60.5	0	0	0	113	F237 G323 G324 N326 P350 N366	F237-N348 HydrophobicContact CD1-CB 4.46Å; F237-N348 HydrophobicContact CE1-CB 3.9Å; F237-N348 HydrophobicContact CZ-CB 4.01Å; G323-N348 PolarHBondContact O-N 3.24Å; G324-N348 WeakPolarHBondContact O-CB 3.49Å; G324-N348 PolarHBondContact O-ND2 3.39Å; N326-N348 PolarHBondContact ND2-ND2 3.23Å; N348-P350 WeakPolarHBondContact O-CD 3.38Å; N348-N366 PolarHBondContact O-ND2 3.5Å
349	N	95	Very high	95.4	Very high	37 Å²	37	39.4 Å²	39.4	20%	0.198	19%	0.194	C	C	.	.			trans	-82.9	114.8	178.4	-171.7	-22	0	0	0	110.4	D322 G323 R351 K352 L353	D322-N349 PolarHBondContact O-ND2 3.27Å; G323-N349 WeakPolarHBondContact O-CB 3.43Å; G323-N349 PolarHBondContact O-N 3.41Å; N349-R351 PolarHBondContact O-N 3.1Å; N349-R351 VanDerWaalsContact O-N 3.17Å; N349-R351 VanDerWaalsContact OD1-CB 3.23Å; N349-R351 WeakPolarHBondContact OD1-CB 3.39Å; N349-R351 PolarHBondContact OD1-N 3.42Å; N349-K352 PolarHBondContact O-N 3.44Å; N349-L353 PolarHBondContact O-N 2.91Å
350	P	96.8	Very high	95.5	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-61.8	-24.8	-179.8	24.4	-32.8	0	0	0	113.4	N240 Y241 L246 N348 K352 L353 L354 L370	N240-P350 HydrophobicContact CB-CG 3.78Å; Y241-P350 HydrophobicContact CD1-CG 4.26Å; Y241-P350 HydrophobicContact CE1-CB 4.33Å; Y241-P350 HydrophobicContact CE1-CG 4Å; L246-P350 HydrophobicContact CD2-CG 3.97Å; N348-P350 WeakPolarHBondContact O-CD 3.38Å; P350-K352 VanDerWaalsContact C-N 3.27Å; P350-K352 PolarHBondContact O-N 3.08Å; P350-L353 PolarHBondContact O-N 3.12Å; P350-L353 VanDerWaalsContact O-N 3.12Å; P350-L354 PolarHBondContact O-N 3.28Å; P350-L370 HydrophobicContact CB-CB 4.34Å; P350-L370 HydrophobicContact CB-CD2 3.96Å
351	R	96.6	Very high	95.6	Very high	57 Å²	57	37.4 Å²	37.4	22%	0.215	18%	0.175	C	C	.	.	H	α-helix	trans	-57	-42.4	171.5	-173.9	172.5	-69.7	-100.5	4.2	111.7	D243 E245 L246 N349	D243-R351 IonicContact OD1-NH2 2.82Å; D243-R351 IonicContact OD2-CZ 2.75Å; D243-R351 IonicContact OD2-NH2 2.79Å; D243-R351 PolarHBondContact OD2-NH2 3.5Å; E245-R351 IonicContact OE1-CZ 3.3Å; E245-R351 IonicContact OE1-NH1 3.69Å; E245-R351 PolarHBondContact OE1-NH1 2.95Å; E245-R351 IonicContact OE1-NH2 2.72Å; E245-R351 PolarHBondContact OE1-NH2 2.92Å; L246-R351 HydrophobicContact CD1-CB 3.75Å; L246-R351 HydrophobicContact CD1-CG 4.03Å; L246-R351 HydrophobicContact CD2-CB 4.18Å; N349-R351 PolarHBondContact O-N 3.1Å; N349-R351 VanDerWaalsContact O-N 3.17Å; N349-R351 VanDerWaalsContact OD1-CB 3.23Å; N349-R351 WeakPolarHBondContact OD1-CB 3.39Å; N349-R351 PolarHBondContact OD1-N 3.42Å
352	K	97.1	Very high	95.7	Very high	40 Å²	40	35.3 Å²	35.3	17%	0.174	16%	0.164	C	C	.	.	H	α-helix	trans	-72	-34.1	177	-167.8	59	176.7	179.5	0	112.1	Y347 N349 P350 L354 E355 T356	Y347-K352 HydrophobicContact CD1-CG 4.13Å; Y347-K352 HydrophobicContact CD2-CG 3.82Å; Y347-K352 HydrophobicContact CE1-CG 4.21Å; Y347-K352 HydrophobicContact CE2-CG 3.94Å; Y347-K352 HydrophobicContact CG-CB 4.47Å; Y347-K352 HydrophobicContact CG-CG 3.91Å; N349-K352 PolarHBondContact O-N 3.44Å; P350-K352 VanDerWaalsContact C-N 3.27Å; P350-K352 PolarHBondContact O-N 3.08Å; K352-L354 VanDerWaalsContact C-N 3.33Å; K352-L354 PolarHBondContact O-N 3.44Å; K352-E355 WeakPolarHBondContact CD-OE2 3.42Å; K352-E355 IonicContact NZ-OE2 3.57Å; K352-E355 PolarHBondContact NZ-OE2 3.42Å; K352-E355 WeakPolarHBondContact O-CB 3.5Å; K352-E355 PolarHBondContact O-N 2.95Å; K352-E355 VanDerWaalsContact O-N 3.07Å; K352-T356 HydrophobicContact CD-CG2 4.33Å; K352-T356 HydrophobicContact CG-CG2 4.1Å; K352-T356 PolarHBondContact O-N 3.4Å; K352-T356 PolarHBondContact O-OG1 2.78Å
353	L	98	Very high	95.9	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-66.3	-32.1	178	-60.1	179.8	0	0	0	112.9	F292 N349 P350 E355 R357 E363 N366 C367	F292-L353 HydrophobicContact CE2-CB 4.24Å; F292-L353 HydrophobicContact CZ-CB 4.45Å; F292-L353 HydrophobicContact CZ-CD2 4.46Å; N349-L353 PolarHBondContact O-N 2.91Å; P350-L353 PolarHBondContact O-N 3.12Å; P350-L353 VanDerWaalsContact O-N 3.12Å; L353-E355 PolarHBondContact O-N 2.95Å; L353-R357 WeakPolarHBondContact O-CA 3.45Å; L353-R357 PolarHBondContact O-N 2.91Å; L353-E363 HydrophobicContact CD1-CB 3.98Å; L353-E363 HydrophobicContact CD1-CG 4.33Å; L353-E363 WeakPolarHBondContact CD1-O 3.5Å; L353-E363 HydrophobicContact CD2-CB 3.86Å; L353-E363 HydrophobicContact CD2-CG 3.73Å; L353-N366 HydrophobicContact CD1-CB 4Å; L353-C367 HydrophobicContact CB-CB 3.96Å; L353-C367 HydrophobicContact CD1-CB 4.14Å
354	L	97.6	Very high	96	Very high	3 Å²	3	30.6 Å²	30.6	2%	0.016	15%	0.146	C	C	.	.	H	α-helix	trans	-61.4	-29.6	171.2	-66.5	-176.1	0	0	0	112.6	L246 R249 A250 L253 F291 P350 K352 R357 L370 F371	L246-L354 HydrophobicContact CD1-CD1 3.69Å; R249-L354 HydrophobicContact CB-CD1 4.5Å; R249-L354 HydrophobicContact CG-CD1 4.25Å; A250-L354 HydrophobicContact CB-CD1 4.15Å; A250-L354 HydrophobicContact CB-CD2 4.48Å; L253-L354 HydrophobicContact CD1-CB 4.18Å; L253-L354 HydrophobicContact CD1-CD1 4.3Å; L253-L354 HydrophobicContact CD1-CD2 4.09Å; L253-L354 HydrophobicContact CD1-CG 4.42Å; F291-L354 HydrophobicContact CE1-CD2 4.47Å; F291-L354 HydrophobicContact CZ-CD2 4.17Å; P350-L354 PolarHBondContact O-N 3.28Å; K352-L354 VanDerWaalsContact C-N 3.33Å; K352-L354 PolarHBondContact O-N 3.44Å; L354-R357 WeakPolarHBondContact O-CG 3.46Å; L354-R357 PolarHBondContact O-NE 3.27Å; L354-L370 HydrophobicContact CD1-CD2 3.91Å; L354-L370 HydrophobicContact CD2-CD2 4.23Å; L354-L370 HydrophobicContact CG-CD2 4.11Å; L354-F371 HydrophobicContact CD2-CE1 4.46Å; L354-F371 HydrophobicContact CD2-CE2 3.82Å; L354-F371 HydrophobicContact CD2-CZ 3.71Å
355	E	96.4	Very high	96.1	Very high	88 Å²	88	30.2 Å²	30.2	41%	0.411	14%	0.144	S	C	.	.	H	α-helix	trans	-83.9	-50.9	178.9	-62	173.4	-178.2	0	0	111.8	R249 K352 L353	R249-E355 IonicContact CZ-OE1 3.31Å; R249-E355 IonicContact NH1-OE1 3.98Å; R249-E355 PolarHBondContact NH1-OE1 3.35Å; R249-E355 IonicContact NH2-OE1 3.29Å; R249-E355 PolarHBondContact NH2-OE1 2.83Å; R249-E355 VanDerWaalsContact NH2-OE1 3.16Å; K352-E355 WeakPolarHBondContact CD-OE2 3.42Å; K352-E355 IonicContact NZ-OE2 3.57Å; K352-E355 PolarHBondContact NZ-OE2 3.42Å; K352-E355 WeakPolarHBondContact O-CB 3.5Å; K352-E355 PolarHBondContact O-N 2.95Å; K352-E355 VanDerWaalsContact O-N 3.07Å; L353-E355 PolarHBondContact O-N 2.95Å
356	T	95.3	Very high	96.2	Very high	52 Å²	52	30 Å²	30	32%	0.319	14%	0.142	S	C	.	.	H	α-helix	trans	-76.4	-32.1	-173.5	60	0	0	0	0	112.7	Y347 K352 L358	Y347-T356 HydrophobicContact CD2-CG2 4.04Å; Y347-T356 HydrophobicContact CE2-CG2 3.79Å; K352-T356 HydrophobicContact CD-CG2 4.33Å; K352-T356 HydrophobicContact CG-CG2 4.1Å; K352-T356 PolarHBondContact O-N 3.4Å; K352-T356 PolarHBondContact O-OG1 2.78Å; T356-L358 WeakPolarHBondContact O-CB 3.31Å; T356-L358 PolarHBondContact O-N 3.31Å; T356-L358 VanDerWaalsContact O-N 3.1Å
357	R	95.7	Very high	96.3	Very high	76 Å²	76	28 Å²	28	29%	0.287	14%	0.135	S	C	.	.			trans	50.8	33.9	178.5	-55.8	-172.9	-170.4	-176.2	0.5	114.1	F291 F292 K293 L353 L354	F291-R357 HydrophobicContact CE1-CG 4.06Å; F291-R357 HydrophobicContact CE2-CG 4.39Å; F291-R357 VanDerWaalsContact CE2-CZ 3.47Å; F291-R357 HydrophobicContact CZ-CG 3.92Å; F291-R357 WeakPolarHBondContact O-CB 3.49Å; F291-R357 WeakPolarHBondContact O-CD 3.29Å; F292-R357 HydrophobicContact CD2-CB 4.21Å; F292-R357 VanDerWaalsContact CE2-CA 3.47Å; K293-R357 PolarHBondContact N-O 2.76Å; L353-R357 WeakPolarHBondContact O-CA 3.45Å; L353-R357 PolarHBondContact O-N 2.91Å; L354-R357 WeakPolarHBondContact O-CG 3.46Å; L354-R357 PolarHBondContact O-NE 3.27Å
358	L	94.4	Very high	96.4	Very high	37 Å²	37	26.4 Å²	26.4	19%	0.194	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	132.9	-171.9	-179	70.7	0	0	0	109.7	K293 A295 F298 F344 T356	K293-L358 HydrophobicContact CB-CD1 3.93Å; K293-L358 WeakPolarHBondContact O-CA 3.47Å; A295-L358 HydrophobicContact CB-CD1 4.19Å; A295-L358 HydrophobicContact CB-CG 4.3Å; F298-L358 HydrophobicContact CE1-CD2 4.14Å; F344-L358 HydrophobicContact CD2-CD2 4.37Å; F344-L358 HydrophobicContact CE2-CD2 4.37Å; F344-L358 HydrophobicContact CE2-CG 4.34Å; T356-L358 WeakPolarHBondContact O-CB 3.31Å; T356-L358 PolarHBondContact O-N 3.31Å; T356-L358 VanDerWaalsContact O-N 3.1Å
359	G	95.9	Very high	96.6	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.3	-167.9	172	0	0	0	0	0	115.2	K293 W294 A295 W364	K293-G359 PolarHBondContact O-N 2.88Å; W294-G359 WeakPolarHBondContact CA-O 3.39Å; A295-G359 PolarHBondContact N-O 2.8Å; G359-W364 PolarHBondContact O-NE1 2.91Å
360	R	94.5	Very high	96.8	Very high	72 Å²	72	22.9 Å²	22.9	27%	0.272	11%	0.11	S	C	.	.			trans	-110.6	-172.8	170.2	-55.9	-163.6	-178.7	132	4.1	110	W294 A295 E329 Y331 R346 G362 E363 W364	W294-R360 HydrophobicContact CH2-CB 4.05Å; W294-R360 HydrophobicContact CZ2-CB 4.19Å; W294-R360 HydrophobicContact CZ2-CG 4.28Å; W294-R360 HydrophobicContact CZ3-CB 4.41Å; A295-R360 HydrophobicContact CB-CG 4.19Å; E329-R360 IonicContact OE1-CZ 3.66Å; E329-R360 VanDerWaalsContact OE1-CZ 3.31Å; E329-R360 IonicContact OE1-NH1 3.98Å; E329-R360 PolarHBondContact OE1-NH1 2.89Å; E329-R360 IonicContact OE1-NH2 2.65Å; E329-R360 IonicContact OE2-CZ 3.55Å; E329-R360 VanDerWaalsContact OE2-CZ 3.27Å; E329-R360 IonicContact OE2-NH1 2.75Å; E329-R360 PolarHBondContact OE2-NH1 3.23Å; E329-R360 IonicContact OE2-NH2 3.39Å; E329-R360 PolarHBondContact OE2-NH2 2.92Å; Y331-R360 PolarHBondContact OH-NH2 3.04Å; R346-R360 VanDerWaalsContact NH1-CD 3.31Å; R360-G362 PolarHBondContact O-N 3.49Å; R360-E363 PolarHBondContact N-OE2 3.46Å; R360-E363 PolarHBondContact O-N 3.32Å; R360-W364 VanDerWaalsContact C-CD1 3.48Å; R360-W364 PolarHBondContact O-N 2.91Å
361	C	94.9	Very high	96.9	Very high	12 Å²	12	22.9 Å²	22.9	8%	0.081	11%	0.11	C	C	.	.	H	α-helix	trans	-44.1	-43	-173.3	61.1	0	0	0	0	115.4	W294 W364 A365 H396	W294-C361 HydrophobicContact CH2-CB 4.39Å; W294-C361 HydrophobicContact CZ3-CB 4.46Å; C361-W364 PolarHBondContact O-N 3.07Å; C361-A365 WeakPolarHBondContact O-CB 3.46Å; C361-A365 PolarHBondContact O-N 2.94Å; C361-H396 VanDerWaalsContact CB-ND1 3.34Å; C361-H396 WeakPolarHBondContact CB-ND1 3.49Å
362	G	95.1	Very high	97	Very high	24 Å²	24	20.2 Å²	20.2	25%	0.247	10%	0.1	C	C	.	.	H	α-helix	trans	-60.3	-51.1	176.1	0	0	0	0	0	113.7	R360 N366	R360-G362 PolarHBondContact O-N 3.49Å; G362-N366 WeakPolarHBondContact O-CB 3.23Å; G362-N366 PolarHBondContact O-N 3.11Å
363	E	97.3	Very high	97	Very high	7 Å²	7	19.1 Å²	19.1	3%	0.033	10%	0.096	C	C	.	.	H	α-helix	trans	-66.7	-37.6	176.7	-65.8	80.4	-167.4	0	0	112.2	F292 R346 L353 R360 N366 C367	F292-E363 HydrophobicContact CE1-CB 4.26Å; F292-E363 HydrophobicContact CZ-CB 4.12Å; R346-E363 IonicContact CZ-OE1 3.8Å; R346-E363 IonicContact CZ-OE2 2.76Å; R346-E363 IonicContact NE-OE1 2.78Å; R346-E363 PolarHBondContact NE-OE1 3.16Å; R346-E363 IonicContact NE-OE2 2.68Å; R346-E363 IonicContact NH2-OE1 3.94Å; R346-E363 PolarHBondContact NH2-OE1 3.01Å; R346-E363 IonicContact NH2-OE2 3.09Å; R346-E363 PolarHBondContact NH2-OE2 2.56Å; L353-E363 HydrophobicContact CD1-CB 3.98Å; L353-E363 HydrophobicContact CD1-CG 4.33Å; L353-E363 WeakPolarHBondContact CD1-O 3.5Å; L353-E363 HydrophobicContact CD2-CB 3.86Å; L353-E363 HydrophobicContact CD2-CG 3.73Å; R360-E363 PolarHBondContact N-OE2 3.46Å; R360-E363 PolarHBondContact O-N 3.32Å; E363-N366 PolarHBondContact O-N 3.13Å; E363-C367 VanDerWaalsContact O-CB 3.23Å; E363-C367 WeakPolarHBondContact O-CB 3.36Å; E363-C367 PolarHBondContact O-N 3.04Å
364	W	97.7	Very high	97	Very high	5 Å²	5	19.1 Å²	19.1	2%	0.019	10%	0.096	C	C	.	.	H	α-helix	trans	-60.6	-54.6	177.3	-83.2	63.2	0	0	0	111.3	F287 K288 F292 K293 W294 G359 R360 C361 N366 C367 F368 P418 C419	F287-W364 AromaticContact CD1-CE3 3.87Å; F287-W364 HydrophobicContact CD1-CE3 3.87Å; F287-W364 AromaticContact CD1-CZ3 3.91Å; F287-W364 HydrophobicContact CD1-CZ3 3.91Å; F287-W364 HydrophobicContact CE1-CD2 4.13Å; F287-W364 AromaticContact CE1-CE3 3.53Å; F287-W364 HydrophobicContact CE1-CE3 3.53Å; F287-W364 AromaticContact CE1-CZ3 3.99Å; F287-W364 HydrophobicContact CE1-CZ3 3.99Å; K288-W364 HydrophobicContact CB-CH2 4.07Å; K288-W364 HydrophobicContact CB-CZ3 3.85Å; K288-W364 HydrophobicContact CG-CH2 3.81Å; K288-W364 HydrophobicContact CG-CZ3 3.96Å; F292-W364 AromaticContact CD1-CD1 3.52Å; F292-W364 AromaticContact CD1-CD2 3.8Å; F292-W364 HydrophobicContact CD1-CD2 3.8Å; F292-W364 AromaticContact CD1-CE2 3.59Å; F292-W364 AromaticContact CD1-CG 3.8Å; F292-W364 HydrophobicContact CD1-CG 3.8Å; F292-W364 HydrophobicContact CD1-CZ2 4.17Å; F292-W364 AromaticContact CD1-NE1 3.44Å; F292-W364 AromaticContact CE1-CD1 3.44Å; F292-W364 VanDerWaalsContact CE1-CD1 3.44Å; F292-W364 HydrophobicContact CE1-CD2 4.44Å; F292-W364 AromaticContact CE1-CG 3.96Å; F292-W364 HydrophobicContact CE1-CG 3.96Å; F292-W364 AromaticContact CE1-NE1 3.7Å; K293-W364 PolarHBondContact O-NE1 3.41Å; W294-W364 HydrophobicContact CB-CZ2 4.09Å; W294-W364 AromaticContact CE3-CE2 3.92Å; W294-W364 HydrophobicContact CE3-CZ2 4.4Å; W294-W364 AromaticContact CE3-NE1 3.61Å; G359-W364 PolarHBondContact O-NE1 2.91Å; R360-W364 VanDerWaalsContact C-CD1 3.48Å; R360-W364 PolarHBondContact O-N 2.91Å; C361-W364 PolarHBondContact O-N 3.07Å; W364-N366 VanDerWaalsContact C-N 3.32Å; W364-N366 PolarHBondContact O-N 3.03Å; W364-C367 PolarHBondContact O-N 3.35Å; W364-F368 WeakPolarHBondContact O-CB 3.36Å; W364-F368 PolarHBondContact O-N 3.17Å; W364-P418 HydrophobicContact CB-CG 4.49Å; W364-P418 HydrophobicContact CE3-CB 4.31Å; W364-P418 WeakPolarHBondContact CZ3-O 3.4Å; W364-C419 WeakPolarHBondContact CB-SG 3.36Å; W364-C419 HydrophobicContact CD2-CB 4.42Å; W364-C419 HydrophobicContact CE3-CB 4.23Å; W364-C419 VanDerWaalsContact CG-SG 3.57Å
365	A	98.2	Very high	96.9	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-64.4	-37.9	179.3	0	0	0	0	0	111.9	C361 T369 L389 V397	C361-A365 WeakPolarHBondContact O-CB 3.46Å; C361-A365 PolarHBondContact O-N 2.94Å; A365-T369 VanDerWaalsContact O-CB 3.31Å; A365-T369 WeakPolarHBondContact O-CB 3.44Å; A365-T369 PolarHBondContact O-N 3.18Å; A365-T369 PolarHBondContact O-OG1 2.82Å; A365-L389 HydrophobicContact CB-CD1 3.9Å; A365-V397 HydrophobicContact CB-CB 3.96Å; A365-V397 HydrophobicContact CB-CG1 3.53Å
366	N	97.6	Very high	96.8	Very high	7 Å²	7	16.4 Å²	16.4	4%	0.037	8%	0.084	C	C	.	.	H	α-helix	trans	-62.9	-51.3	177.8	-176.4	8.6	0	0	0	111.9	Y241 N348 L353 G362 E363 W364 T369 L370	Y241-N366 WeakPolarHBondContact CE1-O 3.43Å; Y241-N366 WeakPolarHBondContact CE1-OD1 3.27Å; Y241-N366 WeakPolarHBondContact OH-CA 3.22Å; Y241-N366 PolarHBondContact OH-O 3.32Å; Y241-N366 PolarHBondContact OH-OD1 3.27Å; N348-N366 PolarHBondContact O-ND2 3.5Å; L353-N366 HydrophobicContact CD1-CB 4Å; G362-N366 WeakPolarHBondContact O-CB 3.23Å; G362-N366 PolarHBondContact O-N 3.11Å; E363-N366 PolarHBondContact O-N 3.13Å; W364-N366 VanDerWaalsContact C-N 3.32Å; W364-N366 PolarHBondContact O-N 3.03Å; N366-T369 PolarHBondContact O-N 3.37Å; N366-L370 PolarHBondContact O-N 3.29Å
367	C	98.2	Very high	96.7	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-65.5	-42	178.1	-170.4	0	0	0	0	111.6	F287 F292 L353 E363 W364 L370 F371	F287-C367 HydrophobicContact CE2-CB 4.39Å; F287-C367 HydrophobicContact CZ-CB 4.07Å; F292-C367 HydrophobicContact CD2-CB 4.42Å; F292-C367 HydrophobicContact CE2-CB 3.92Å; F292-C367 HydrophobicContact CZ-CB 4.32Å; L353-C367 HydrophobicContact CB-CB 3.96Å; L353-C367 HydrophobicContact CD1-CB 4.14Å; E363-C367 VanDerWaalsContact O-CB 3.23Å; E363-C367 WeakPolarHBondContact O-CB 3.36Å; E363-C367 PolarHBondContact O-N 3.04Å; W364-C367 PolarHBondContact O-N 3.35Å; C367-L370 WeakPolarHBondContact O-CB 3.16Å; C367-L370 PolarHBondContact O-N 2.98Å; C367-F371 WeakPolarHBondContact O-CD2 3.31Å; C367-F371 PolarHBondContact O-N 3.38Å
368	F	98.6	Very high	96.2	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-67.4	-37.2	178.9	-164.1	-107.5	0	0	0	112.7	L280 L283 L284 F287 W364 L370 F371 L372 P418	L280-F368 HydrophobicContact CD1-CE1 4.17Å; L280-F368 HydrophobicContact CD1-CZ 4.12Å; L283-F368 HydrophobicContact CD2-CE2 4.25Å; L283-F368 HydrophobicContact CD2-CZ 4.11Å; L283-F368 HydrophobicContact CG-CE2 3.9Å; L283-F368 HydrophobicContact CG-CZ 4.06Å; L284-F368 HydrophobicContact CB-CZ 4.5Å; L284-F368 HydrophobicContact CD2-CD1 4.49Å; L284-F368 HydrophobicContact CD2-CE1 3.66Å; L284-F368 HydrophobicContact CD2-CE2 4.19Å; L284-F368 HydrophobicContact CD2-CZ 3.48Å; L284-F368 VanDerWaalsContact CD2-CZ 3.48Å; L284-F368 HydrophobicContact CG-CE1 4.23Å; L284-F368 HydrophobicContact CG-CZ 3.76Å; F287-F368 HydrophobicContact CB-CD2 3.83Å; F287-F368 HydrophobicContact CB-CE2 3.71Å; F287-F368 AromaticContact CD1-CD2 3.7Å; F287-F368 HydrophobicContact CD1-CD2 3.7Å; F287-F368 HydrophobicContact CD1-CE2 4.34Å; F287-F368 HydrophobicContact CD1-CG 4.44Å; F287-F368 AromaticContact CD2-CD2 3.67Å; F287-F368 HydrophobicContact CD2-CD2 3.67Å; F287-F368 HydrophobicContact CD2-CE2 4.33Å; F287-F368 HydrophobicContact CE1-CB 4.11Å; F287-F368 HydrophobicContact CE1-CD2 4.13Å; F287-F368 HydrophobicContact CE2-CB 4.36Å; F287-F368 HydrophobicContact CE2-CD2 4.08Å; F287-F368 AromaticContact CG-CD2 3.44Å; F287-F368 HydrophobicContact CG-CD2 3.44Å; F287-F368 VanDerWaalsContact CG-CD2 3.44Å; F287-F368 AromaticContact CG-CE2 3.89Å; F287-F368 HydrophobicContact CG-CE2 3.89Å; F287-F368 HydrophobicContact CZ-CB 4.03Å; F287-F368 HydrophobicContact CZ-CD2 4.3Å; W364-F368 WeakPolarHBondContact O-CB 3.36Å; W364-F368 PolarHBondContact O-N 3.17Å; F368-L370 VanDerWaalsContact C-N 3.27Å; F368-L370 PolarHBondContact O-N 3.47Å; F368-F371 WeakPolarHBondContact O-CA 3.43Å; F368-F371 WeakPolarHBondContact O-CB 3.24Å; F368-F371 PolarHBondContact O-N 3.28Å; F368-L372 HydrophobicContact CD1-CD1 3.77Å; F368-L372 HydrophobicContact CD1-CD2 4.35Å; F368-L372 HydrophobicContact CD1-CG 3.92Å; F368-L372 HydrophobicContact CE1-CD1 3.85Å; F368-L372 HydrophobicContact CE1-CD2 3.73Å; F368-L372 HydrophobicContact CE1-CG 3.81Å; F368-L372 HydrophobicContact CZ-CD2 4.18Å; F368-L372 WeakPolarHBondContact O-CG 3.41Å; F368-L372 PolarHBondContact O-N 2.68Å; F368-P418 HydrophobicContact CB-CB 3.85Å; F368-P418 HydrophobicContact CB-CG 3.8Å; F368-P418 HydrophobicContact CD1-CB 3.8Å; F368-P418 HydrophobicContact CD1-CG 4.01Å; F368-P418 HydrophobicContact CD2-CB 3.94Å; F368-P418 HydrophobicContact CE1-CB 4.32Å; F368-P418 HydrophobicContact CE2-CB 4.43Å; F368-P418 HydrophobicContact CG-CB 3.58Å; F368-P418 HydrophobicContact CG-CG 3.95Å
369	T	98.5	Very high	95.8	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-60.5	-38.9	174.2	-55.8	0	0	0	0	111.1	Y241 A365 N366 F371 L372 V373 L389 C399 V445	Y241-T369 HydrophobicContact CD2-CG2 3.68Å; Y241-T369 HydrophobicContact CE2-CG2 3.42Å; Y241-T369 VanDerWaalsContact CE2-CG2 3.42Å; Y241-T369 HydrophobicContact CG-CG2 4.37Å; A365-T369 VanDerWaalsContact O-CB 3.31Å; A365-T369 WeakPolarHBondContact O-CB 3.44Å; A365-T369 PolarHBondContact O-N 3.18Å; A365-T369 PolarHBondContact O-OG1 2.82Å; N366-T369 PolarHBondContact O-N 3.37Å; T369-F371 PolarHBondContact O-N 2.86Å; T369-L372 PolarHBondContact O-N 2.92Å; T369-V373 HydrophobicContact CG2-CG2 4.41Å; T369-V373 WeakPolarHBondContact O-CG2 3.18Å; T369-V373 PolarHBondContact O-N 3.25Å; T369-L389 HydrophobicContact CG2-CB 4.47Å; T369-C399 PolarHBondContact OG1-SG 3.5Å; T369-V445 HydrophobicContact CG2-CG2 4.31Å
370	L	98.4	Very high	95.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-59.9	-45.5	171.8	175.9	64.1	0	0	0	111.1	Y241 L246 Q247 A250 P350 L354 N366 C367 F368 L372 V373 S374	Y241-L370 HydrophobicContact CD1-CB 4Å; Y241-L370 HydrophobicContact CD1-CD1 4.44Å; Y241-L370 HydrophobicContact CE1-CB 4.29Å; L246-L370 HydrophobicContact CD1-CD2 3.78Å; L246-L370 HydrophobicContact CD2-CD1 4.31Å; L246-L370 HydrophobicContact CD2-CD2 3.94Å; L246-L370 HydrophobicContact CG-CD1 3.99Å; L246-L370 HydrophobicContact CG-CD2 3.6Å; L246-L370 HydrophobicContact CG-CG 4.47Å; Q247-L370 HydrophobicContact CG-CD1 4.26Å; A250-L370 HydrophobicContact CB-CD1 4.44Å; A250-L370 HydrophobicContact CB-CD2 3.98Å; A250-L370 HydrophobicContact CB-CG 3.85Å; P350-L370 HydrophobicContact CB-CB 4.34Å; P350-L370 HydrophobicContact CB-CD2 3.96Å; L354-L370 HydrophobicContact CD1-CD2 3.91Å; L354-L370 HydrophobicContact CD2-CD2 4.23Å; L354-L370 HydrophobicContact CG-CD2 4.11Å; N366-L370 PolarHBondContact O-N 3.29Å; C367-L370 WeakPolarHBondContact O-CB 3.16Å; C367-L370 PolarHBondContact O-N 2.98Å; F368-L370 VanDerWaalsContact C-N 3.27Å; F368-L370 PolarHBondContact O-N 3.47Å; L370-L372 PolarHBondContact O-N 2.85Å; L370-V373 PolarHBondContact O-N 2.66Å; L370-S374 WeakPolarHBondContact O-CB 3.31Å; L370-S374 PolarHBondContact O-N 3.48Å; L370-S374 PolarHBondContact O-OG 3.11Å
371	F	98.6	Very high	95.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-59.7	-43.5	175.8	-80.2	-65.6	0	0	0	113	A250 L253 I254 W286 F287 F291 L354 C367 F368 T369 S374 A375	A250-F371 HydrophobicContact CB-CD1 4.31Å; A250-F371 HydrophobicContact CB-CE1 4.34Å; A250-F371 VanDerWaalsContact O-CE1 3.26Å; A250-F371 WeakPolarHBondContact O-CE1 3.34Å; L253-F371 HydrophobicContact CB-CE1 4.09Å; L253-F371 HydrophobicContact CB-CZ 4.27Å; I254-F371 HydrophobicContact CD1-CD1 3.76Å; I254-F371 HydrophobicContact CD1-CE1 4.47Å; I254-F371 HydrophobicContact CG1-CD1 3.4Å; I254-F371 HydrophobicContact CG1-CE1 3.66Å; W286-F371 HydrophobicContact CH2-CD1 4.48Å; W286-F371 AromaticContact CH2-CE1 3.83Å; W286-F371 HydrophobicContact CH2-CE1 3.83Å; W286-F371 HydrophobicContact CH2-CE2 4.4Å; W286-F371 AromaticContact CH2-CZ 3.79Å; W286-F371 HydrophobicContact CH2-CZ 3.79Å; W286-F371 HydrophobicContact CZ3-CD1 4.4Å; W286-F371 HydrophobicContact CZ3-CE1 4.18Å; W286-F371 HydrophobicContact CZ3-CE2 4.46Å; W286-F371 HydrophobicContact CZ3-CZ 4.21Å; F287-F371 AromaticContact CD2-CD2 3.88Å; F287-F371 HydrophobicContact CD2-CD2 3.88Å; F287-F371 AromaticContact CD2-CE2 3.97Å; F287-F371 HydrophobicContact CD2-CE2 3.97Å; F287-F371 AromaticContact CE2-CD2 3.68Å; F287-F371 HydrophobicContact CE2-CD2 3.68Å; F287-F371 AromaticContact CE2-CE2 3.69Å; F287-F371 HydrophobicContact CE2-CE2 3.69Å; F291-F371 AromaticContact CD1-CE2 3.74Å; F291-F371 HydrophobicContact CD1-CE2 3.74Å; F291-F371 HydrophobicContact CD1-CZ 4.02Å; F291-F371 HydrophobicContact CD2-CZ 4.37Å; F291-F371 AromaticContact CE1-CE2 3.36Å; F291-F371 HydrophobicContact CE1-CE2 3.36Å; F291-F371 AromaticContact CE1-CZ 3.55Å; F291-F371 HydrophobicContact CE1-CZ 3.55Å; F291-F371 AromaticContact CE2-CZ 3.9Å; F291-F371 HydrophobicContact CE2-CZ 3.9Å; F291-F371 HydrophobicContact CG-CE2 4.49Å; F291-F371 HydrophobicContact CG-CZ 4.42Å; F291-F371 AromaticContact CZ-CE2 3.82Å; F291-F371 HydrophobicContact CZ-CE2 3.82Å; F291-F371 AromaticContact CZ-CZ 3.48Å; F291-F371 HydrophobicContact CZ-CZ 3.48Å; F291-F371 VanDerWaalsContact CZ-CZ 3.48Å; L354-F371 HydrophobicContact CD2-CE1 4.46Å; L354-F371 HydrophobicContact CD2-CE2 3.82Å; L354-F371 HydrophobicContact CD2-CZ 3.71Å; C367-F371 WeakPolarHBondContact O-CD2 3.31Å; C367-F371 PolarHBondContact O-N 3.38Å; F368-F371 WeakPolarHBondContact O-CA 3.43Å; F368-F371 WeakPolarHBondContact O-CB 3.24Å; F368-F371 PolarHBondContact O-N 3.28Å; T369-F371 PolarHBondContact O-N 2.86Å; F371-S374 PolarHBondContact O-N 3.35Å; F371-A375 WeakPolarHBondContact O-CB 3.1Å; F371-A375 PolarHBondContact O-N 2.75Å
372	L	98.5	Very high	95.1	Very high	1 Å²	1	32 Å²	32	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-59.5	-48.9	176.9	-66.3	172.1	0	0	0	111.6	L280 L283 F368 T369 L370 S374 F384 C387 C399 V401	L280-L372 HydrophobicContact CD1-CD2 3.43Å; L280-L372 VanDerWaalsContact CD1-CD2 3.43Å; L283-L372 HydrophobicContact CD2-CD2 4.15Å; F368-L372 HydrophobicContact CD1-CD1 3.77Å; F368-L372 HydrophobicContact CD1-CD2 4.35Å; F368-L372 HydrophobicContact CD1-CG 3.92Å; F368-L372 HydrophobicContact CE1-CD1 3.85Å; F368-L372 HydrophobicContact CE1-CD2 3.73Å; F368-L372 HydrophobicContact CE1-CG 3.81Å; F368-L372 HydrophobicContact CZ-CD2 4.18Å; F368-L372 WeakPolarHBondContact O-CG 3.41Å; F368-L372 PolarHBondContact O-N 2.68Å; T369-L372 PolarHBondContact O-N 2.92Å; L370-L372 PolarHBondContact O-N 2.85Å; L372-S374 PolarHBondContact O-N 2.79Å; L372-F384 HydrophobicContact CB-CD2 4.28Å; L372-F384 HydrophobicContact CD2-CD2 3.9Å; L372-F384 HydrophobicContact CD2-CE2 3.58Å; L372-F384 HydrophobicContact CD2-CZ 4.18Å; L372-F384 WeakPolarHBondContact O-CD2 3.28Å; L372-C387 HydrophobicContact CB-CB 4.44Å; L372-C399 HydrophobicContact CD1-CB 3.76Å; L372-V401 HydrophobicContact CD1-CG2 3.77Å; L372-V401 HydrophobicContact CD2-CG2 4.08Å
373	V	97.3	Very high	95.1	Very high	17 Å²	17	31.4 Å²	31.4	10%	0.103	16%	0.157	C	C	.	.	H	α-helix	trans	-66.5	-28.5	179.1	175.3	0	0	0	0	112	T369 L370 C387 V445 Y451	T369-V373 HydrophobicContact CG2-CG2 4.41Å; T369-V373 WeakPolarHBondContact O-CG2 3.18Å; T369-V373 PolarHBondContact O-N 3.25Å; L370-V373 PolarHBondContact O-N 2.66Å; V373-C387 HydrophobicContact CG2-CB 3.94Å; V373-V445 HydrophobicContact CG1-CG1 4.41Å; V373-V445 HydrophobicContact CG2-CB 4.28Å; V373-V445 HydrophobicContact CG2-CG1 4.01Å; V373-V445 HydrophobicContact CG2-CG2 3.92Å; V373-Y451 HydrophobicContact CG1-CE2 4.48Å
374	S	97.5	Very high	95	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-85.5	-29.5	-176	-55.8	0	0	0	0	113.2	Q247 A250 R251 L370 F371 L372 E376	Q247-S374 VanDerWaalsContact CA-OG 3.28Å; Q247-S374 WeakPolarHBondContact CA-OG 3.37Å; Q247-S374 WeakPolarHBondContact CG-OG 3.12Å; Q247-S374 WeakPolarHBondContact O-CB 3.36Å; A250-S374 WeakPolarHBondContact CB-OG 3.37Å; R251-S374 WeakPolarHBondContact CD-O 3.18Å; R251-S374 WeakPolarHBondContact CG-O 3.45Å; L370-S374 WeakPolarHBondContact O-CB 3.31Å; L370-S374 PolarHBondContact O-N 3.48Å; L370-S374 PolarHBondContact O-OG 3.11Å; F371-S374 PolarHBondContact O-N 3.35Å; L372-S374 PolarHBondContact O-N 2.79Å; S374-E376 PolarHBondContact O-N 3.36Å
375	A	97.2	Very high	94.7	Very high	3 Å²	3	34.7 Å²	34.7	3%	0.025	18%	0.175	C	C	.	.			trans	-60.8	123.4	-171.5	0	0	0	0	0	113.1	I254 F279 F371 W383 F384	I254-A375 HydrophobicContact CD1-CB 4.03Å; F279-A375 HydrophobicContact CE1-CB 4.09Å; F371-A375 WeakPolarHBondContact O-CB 3.1Å; F371-A375 PolarHBondContact O-N 2.75Å; A375-W383 HydrophobicContact CB-CB 4.2Å; A375-W383 PolarHBondContact O-N 3.17Å; A375-F384 HydrophobicContact CB-CE2 4.24Å
376	E	94.3	Very high	94.6	Very high	31 Å²	31	34.9 Å²	34.9	15%	0.145	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-122.4	148.6	-178.7	-77.1	171.2	-169.4	0	0	111.9	R251 S374 Q381 W383 R448	R251-E376 WeakPolarHBondContact CD-OE2 3.39Å; R251-E376 IonicContact CZ-OE1 3.99Å; R251-E376 VanDerWaalsContact CZ-OE1 3.29Å; R251-E376 IonicContact CZ-OE2 3.86Å; R251-E376 IonicContact NE-OE1 3.15Å; R251-E376 IonicContact NE-OE2 3.41Å; R251-E376 IonicContact NH1-OE1 3.83Å; R251-E376 PolarHBondContact NH1-OE1 3.12Å; R251-E376 IonicContact NH1-OE2 3.59Å; R251-E376 IonicContact NH2-OE1 3.76Å; S374-E376 PolarHBondContact O-N 3.36Å; E376-Q381 CarbonylContact C-O 3.16Å; E376-Q381 WeakPolarHBondContact CA-O 3.23Å; E376-W383 PolarHBondContact O-NE1 2.92Å; E376-R448 IonicContact OE1-CZ 2.74Å; E376-R448 IonicContact OE1-NH1 3.73Å; E376-R448 PolarHBondContact OE1-NH1 3.21Å; E376-R448 IonicContact OE1-NH2 2.78Å; E376-R448 PolarHBondContact OE1-NH2 2.92Å
377	R	91.4	Very high	94.6	Very high	73 Å²	73	34.7 Å²	34.7	28%	0.275	18%	0.175	S	C	.	.			trans	-76.3	164.2	166.1	-65.1	176	175.6	-103.3	2	109.5	T379 N380 Q381 W383	R377-T379 PolarHBondContact O-N 3.41Å; R377-N380 WeakPolarHBondContact O-CA 3.47Å; R377-N380 PolarHBondContact O-N 3.21Å; R377-Q381 PolarHBondContact N-O 2.99Å; R377-W383 HydrophobicContact CG-CD2 3.85Å; R377-W383 HydrophobicContact CG-CE3 4.42Å; R377-W383 HydrophobicContact CG-CG 4.13Å; R377-W383 HydrophobicContact CG-CZ2 3.98Å
378	H	85.9	Confident	94.6	Very high	156 Å²	156	34.9 Å²	34.9	72%	0.722	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-20.2	172.8	66.8	-95.8	0	0	0	113.5	N380	H378-N380 PolarHBondContact O-N 2.76Å
379	T	86	Confident	94.6	Very high	74 Å²	74	35 Å²	35	45%	0.454	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	6.5	173.6	56.6	0	0	0	0	113.9	R377 Q381	R377-T379 PolarHBondContact O-N 3.41Å; T379-Q381 PolarHBondContact O-N 2.8Å; T379-Q381 VanDerWaalsContact O-N 3.13Å
380	N	87	Confident	94.6	Very high	117 Å²	117	35 Å²	35	63%	0.626	18%	0.177	S	C	*	.	S	Bend	trans	59.6	12.1	-171.2	-57	-44.5	0	0	0	114.5	R377 H378	R377-N380 WeakPolarHBondContact O-CA 3.47Å; R377-N380 PolarHBondContact O-N 3.21Å; H378-N380 PolarHBondContact O-N 2.76Å
381	Q	89.7	Confident	94.6	Very high	117 Å²	117	35.9 Å²	35.9	55%	0.547	18%	0.181	S	C	.	.			trans	-82.5	145.1	171.2	-64.7	-57.2	-38.2	0	0	110	E376 R377 T379	E376-Q381 CarbonylContact C-O 3.16Å; E376-Q381 WeakPolarHBondContact CA-O 3.23Å; R377-Q381 PolarHBondContact N-O 2.99Å; T379-Q381 PolarHBondContact O-N 2.8Å; T379-Q381 VanDerWaalsContact O-N 3.13Å
382	P	93	Very high	94.5	Very high	39 Å²	39	36.1 Å²	36.1	25%	0.253	18%	0.182	S	C	.	.	B	Isolated β-bridge	trans	-62.2	146.8	175.7	27.8	-34.4	0	0	0	110.9	F384	P382-F384 VanDerWaalsContact C-N 3.27Å
383	W	95.2	Very high	94.3	Very high	12 Å²	12	38.2 Å²	38.2	5%	0.045	19%	0.19	C	C	.	.	S	Bend	trans	-68.4	-31.6	168.3	-90.4	102	0	0	0	112.2	L260 V274 P276 F279 A375 E376 R377	L260-W383 HydrophobicContact CD1-CZ2 4.47Å; L260-W383 HydrophobicContact CD2-CH2 3.64Å; L260-W383 HydrophobicContact CD2-CZ2 3.4Å; L260-W383 VanDerWaalsContact CD2-CZ2 3.4Å; L260-W383 HydrophobicContact CG-CZ2 4.37Å; V274-W383 HydrophobicContact CB-CH2 4.31Å; V274-W383 HydrophobicContact CG1-CH2 4.07Å; V274-W383 HydrophobicContact CG1-CZ3 4.41Å; V274-W383 WeakPolarHBondContact O-CZ3 3.5Å; P276-W383 HydrophobicContact CB-CE3 4.22Å; P276-W383 HydrophobicContact CG-CE3 4.29Å; F279-W383 HydrophobicContact CB-CD2 4.24Å; F279-W383 HydrophobicContact CB-CE3 3.87Å; F279-W383 HydrophobicContact CB-CH2 4.07Å; F279-W383 HydrophobicContact CB-CZ2 4.44Å; F279-W383 HydrophobicContact CB-CZ3 3.76Å; F279-W383 HydrophobicContact CD1-CB 4.24Å; F279-W383 AromaticContact CD1-CD2 3.65Å; F279-W383 HydrophobicContact CD1-CD2 3.65Å; F279-W383 AromaticContact CD1-CE2 3.98Å; F279-W383 HydrophobicContact CD1-CE3 4.06Å; F279-W383 AromaticContact CD1-CG 3.72Å; F279-W383 HydrophobicContact CD1-CG 3.72Å; F279-W383 HydrophobicContact CD2-CH2 4.5Å; F279-W383 HydrophobicContact CD2-CZ2 4.13Å; F279-W383 HydrophobicContact CE1-CB 4.39Å; F279-W383 AromaticContact CE1-CD1 3.7Å; F279-W383 HydrophobicContact CE1-CD2 4.13Å; F279-W383 AromaticContact CE1-CG 3.83Å; F279-W383 HydrophobicContact CE1-CG 3.83Å; F279-W383 AromaticContact CE1-NE1 3.94Å; F279-W383 AromaticContact CG-CD2 3.88Å; F279-W383 HydrophobicContact CG-CD2 3.88Å; F279-W383 AromaticContact CG-CE2 3.91Å; F279-W383 HydrophobicContact CG-CE3 4.04Å; F279-W383 HydrophobicContact CG-CG 4.41Å; F279-W383 HydrophobicContact CG-CH2 4.28Å; F279-W383 HydrophobicContact CG-CZ2 4.16Å; F279-W383 HydrophobicContact CG-CZ3 4.22Å; F279-W383 AromaticContact CZ-NE1 3.96Å; A375-W383 HydrophobicContact CB-CB 4.2Å; A375-W383 PolarHBondContact O-N 3.17Å; E376-W383 PolarHBondContact O-NE1 2.92Å; R377-W383 HydrophobicContact CG-CD2 3.85Å; R377-W383 HydrophobicContact CG-CE3 4.42Å; R377-W383 HydrophobicContact CG-CG 4.13Å; R377-W383 HydrophobicContact CG-CZ2 3.98Å
384	F	95.7	Very high	94.2	Very high	8 Å²	8	38.8 Å²	38.8	4%	0.035	19%	0.193	C	C	.	.			trans	-128.7	119.8	-174	-49.5	-60.8	0	0	0	109.9	P276 F279 L280 L283 L372 A375 P382 A386 V401 L403	P276-F384 HydrophobicContact CB-CD1 4.3Å; P276-F384 HydrophobicContact CB-CE1 4.16Å; P276-F384 WeakPolarHBondContact O-CE1 3.49Å; F279-F384 HydrophobicContact CD1-CE2 4.44Å; F279-F384 AromaticContact CD1-CZ 3.96Å; F279-F384 HydrophobicContact CD1-CZ 3.96Å; L280-F384 HydrophobicContact CB-CE1 3.86Å; L280-F384 HydrophobicContact CB-CZ 3.78Å; L280-F384 HydrophobicContact CD1-CE1 4.47Å; L280-F384 HydrophobicContact CD1-CZ 3.96Å; L280-F384 HydrophobicContact CD2-CE1 4.46Å; L280-F384 HydrophobicContact CG-CZ 4.36Å; L283-F384 HydrophobicContact CD2-CE2 4.34Å; L372-F384 HydrophobicContact CB-CD2 4.28Å; L372-F384 HydrophobicContact CD2-CD2 3.9Å; L372-F384 HydrophobicContact CD2-CE2 3.58Å; L372-F384 HydrophobicContact CD2-CZ 4.18Å; L372-F384 WeakPolarHBondContact O-CD2 3.28Å; A375-F384 HydrophobicContact CB-CE2 4.24Å; P382-F384 VanDerWaalsContact C-N 3.27Å; F384-A386 VanDerWaalsContact C-N 3.27Å; F384-A386 PolarHBondContact O-N 2.94Å; F384-V401 HydrophobicContact CB-CG1 3.67Å; F384-V401 HydrophobicContact CD1-CG1 3.47Å; F384-V401 VanDerWaalsContact CD1-CG1 3.47Å; F384-V401 HydrophobicContact CD2-CG1 4.49Å; F384-V401 HydrophobicContact CE1-CG1 4.23Å; F384-V401 HydrophobicContact CG-CG1 3.61Å; F384-L403 HydrophobicContact CD1-CD2 3.9Å; F384-L403 HydrophobicContact CE1-CD2 4.29Å
385	D	91.9	Very high	93.8	Very high	74 Å²	74	43.6 Å²	43.6	40%	0.396	22%	0.219	S	C	.	.	S	Bend	trans	-65.8	-32.3	-175	-55.8	-51.6	0	0	0	112.6	K411 Y520	D385-K411 IonicContact OD2-NZ 3.01Å; D385-K411 PolarHBondContact OD2-NZ 3.31Å; D385-Y520 PolarHBondContact O-OH 3.15Å
386	A	95.7	Very high	93.7	Very high	3 Å²	3	43.5 Å²	43.5	3%	0.025	22%	0.218	C	C	.	.			trans	-152.9	147.1	178.2	0	0	0	0	0	111.6	F384 W402 W413 P519 Y520	F384-A386 VanDerWaalsContact C-N 3.27Å; F384-A386 PolarHBondContact O-N 2.94Å; A386-W402 HydrophobicContact CB-CB 3.86Å; A386-W402 PolarHBondContact O-N 3.21Å; A386-W413 HydrophobicContact CB-CH2 3.6Å; A386-W413 HydrophobicContact CB-CZ2 4.44Å; A386-W413 HydrophobicContact CB-CZ3 4.12Å; A386-P519 HydrophobicContact CB-CG 3.44Å; A386-P519 VanDerWaalsContact CB-CG 3.44Å; A386-Y520 HydrophobicContact CB-CE1 4.46Å; A386-Y520 HydrophobicContact CB-CE2 4.07Å; A386-Y520 WeakPolarHBondContact CB-OH 3.37Å
387	C	97.9	Very high	93.9	Very high	3 Å²	3	42.6 Å²	42.6	2%	0.02	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	155.3	-178.9	-60	0	0	0	0	110.2	L372 V373 E400 V445	L372-C387 HydrophobicContact CB-CB 4.44Å; V373-C387 HydrophobicContact CG2-CB 3.94Å; C387-E400 CarbonylContact C-O 3.58Å; C387-E400 WeakPolarHBondContact CA-O 3.44Å; C387-V445 HydrophobicContact CB-CG2 4.32Å; C387-V445 WeakPolarHBondContact O-CG2 3.34Å; C387-V445 PolarHBondContact O-N 3.16Å
388	R	98.4	Very high	94.2	Very high	4 Å²	4	39.1 Å²	39.1	2%	0.015	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	138.2	175.8	-86.4	167.3	169.5	-175.2	6.9	110.4	V390 C399 E400 W413 A442 Y443 T444 E528	R388-V390 HydrophobicContact CB-CG2 4.43Å; R388-C399 CarbonylContact O-C 3.57Å; R388-C399 VanDerWaalsContact O-CA 3.26Å; R388-C399 WeakPolarHBondContact O-CA 3.38Å; R388-E400 HydrophobicContact CB-CB 3.88Å; R388-E400 WeakPolarHBondContact CD-OE2 3.25Å; R388-E400 PolarHBondContact N-O 2.99Å; R388-E400 IonicContact NH1-OE2 2.75Å; R388-E400 PolarHBondContact NH1-OE2 3.38Å; R388-E400 PolarHBondContact O-N 3.44Å; R388-W413 HydrophobicContact CB-CZ3 4.22Å; R388-W413 HydrophobicContact CG-CE3 4.18Å; R388-W413 HydrophobicContact CG-CH2 3.76Å; R388-W413 HydrophobicContact CG-CZ2 4.24Å; R388-W413 HydrophobicContact CG-CZ3 3.74Å; R388-W413 VanDerWaalsContact NE-CZ2 3.34Å; R388-A442 HydrophobicContact CB-CB 4.39Å; R388-A442 HydrophobicContact CG-CB 4.27Å; R388-Y443 VanDerWaalsContact CA-O 3.23Å; R388-Y443 WeakPolarHBondContact CA-O 3.44Å; R388-T444 HydrophobicContact CG-CG2 4.38Å; R388-T444 PolarHBondContact NE-OG1 2.93Å; R388-E528 IonicContact CZ-OE1 3.21Å; R388-E528 IonicContact CZ-OE2 3.78Å; R388-E528 VanDerWaalsContact NH1-CD 3.34Å; R388-E528 IonicContact NH1-OE1 3.22Å; R388-E528 PolarHBondContact NH1-OE1 2.94Å; R388-E528 IonicContact NH1-OE2 3.66Å; R388-E528 PolarHBondContact NH1-OE2 2.88Å; R388-E528 VanDerWaalsContact NH1-OE2 3.09Å; R388-E528 IonicContact NH2-OE1 3.67Å; R388-E528 IonicContact NH2-OE2 3.57Å; R388-E528 PolarHBondContact NH2-OE2 3.25Å
389	L	98.5	Very high	94.8	Very high	4 Å²	4	31.7 Å²	31.7	2%	0.021	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	128.5	161.2	-179.4	71	0	0	0	107.8	V238 Y241 A365 T369 M391 V397 Y443	V238-L389 HydrophobicContact CG2-CB 4.37Å; Y241-L389 HydrophobicContact CE2-CB 4.39Å; A365-L389 HydrophobicContact CB-CD1 3.9Å; T369-L389 HydrophobicContact CG2-CB 4.47Å; L389-M391 HydrophobicContact CD2-SD 4.19Å; L389-M391 HydrophobicContact CG-SD 4.37Å; L389-V397 HydrophobicContact CD1-CG1 3.88Å; L389-V397 HydrophobicContact CG-CG1 4.41Å; L389-Y443 PolarHBondContact N-O 2.8Å; L389-Y443 VanDerWaalsContact N-O 3.11Å; L389-Y443 PolarHBondContact O-N 2.91Å
390	V	98.6	Very high	95.4	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	123.5	-176.4	-171.5	0	0	0	0	110.5	R388 V397 W398 E400 I440 A442 V468	R388-V390 HydrophobicContact CB-CG2 4.43Å; V390-V397 WeakPolarHBondContact O-CA 3.45Å; V390-V397 WeakPolarHBondContact O-CG1 3.47Å; V390-W398 HydrophobicContact CB-CD2 4.04Å; V390-W398 HydrophobicContact CB-CG 4.13Å; V390-W398 HydrophobicContact CB-CZ2 4.27Å; V390-W398 HydrophobicContact CG1-CD2 4.1Å; V390-W398 HydrophobicContact CG1-CH2 4.22Å; V390-W398 HydrophobicContact CG1-CZ2 3.44Å; V390-W398 VanDerWaalsContact CG1-CZ2 3.44Å; V390-W398 PolarHBondContact N-O 2.98Å; V390-W398 PolarHBondContact O-N 3.48Å; V390-E400 HydrophobicContact CG2-CB 4.1Å; V390-E400 HydrophobicContact CG2-CG 3.75Å; V390-I440 HydrophobicContact CG1-CG2 3.38Å; V390-A442 HydrophobicContact CG1-CB 4.49Å; V390-A442 HydrophobicContact CG2-CB 3.94Å; V390-V468 HydrophobicContact CG1-CG2 4.01Å
391	M	97.2	Very high	96	Very high	17 Å²	17	22.6 Å²	22.6	8%	0.084	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	117.1	-174.6	-63.8	-64.7	-49.8	0	0	110	Y234 L389 W393 V397 I440 M441 Y443	Y234-M391 HydrophobicContact CD1-CE 4.04Å; Y234-M391 HydrophobicContact CD1-CG 4.38Å; Y234-M391 HydrophobicContact CD1-SD 4.16Å; Y234-M391 HydrophobicContact CE1-CE 3.36Å; Y234-M391 HydrophobicContact CE1-SD 4.05Å; Y234-M391 HydrophobicContact CE2-CE 4.31Å; L389-M391 HydrophobicContact CD2-SD 4.19Å; L389-M391 HydrophobicContact CG-SD 4.37Å; M391-W393 HydrophobicContact CB-CE3 4.25Å; M391-W393 HydrophobicContact CB-CH2 4.47Å; M391-W393 HydrophobicContact CB-CZ3 3.61Å; M391-V397 HydrophobicContact CE-CG1 4.4Å; M391-V397 HydrophobicContact CE-CG2 3.72Å; M391-V397 HydrophobicContact SD-CB 4.35Å; M391-V397 HydrophobicContact SD-CG1 3.45Å; M391-V397 WeakPolarHBondContact SD-CG1 3.03Å; M391-V397 HydrophobicContact SD-CG2 3.88Å; M391-I440 CarbonylContact O-C 3.55Å; M391-I440 WeakPolarHBondContact O-CA 3.28Å; M391-M441 PolarHBondContact N-O 3.17Å; M391-M441 PolarHBondContact O-N 3.36Å; M391-Y443 HydrophobicContact CB-CE2 4.03Å; M391-Y443 HydrophobicContact CG-CD2 3.96Å; M391-Y443 HydrophobicContact CG-CE2 3.63Å
392	D	97.1	Very high	96.3	Very high	6 Å²	6	17.9 Å²	17.9	3%	0.032	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	120.8	170.8	167.3	20.3	0	0	0	110.5	T394 D395 H396 W398 K435 I440	D392-T394 PolarHBondContact O-N 3.48Å; D392-T394 WeakPolarHBondContact OD1-CB 3.42Å; D392-T394 PolarHBondContact OD1-N 3.23Å; D392-T394 PolarHBondContact OD1-OG1 3.09Å; D392-T394 PolarHBondContact OD2-OG1 3.1Å; D392-D395 PolarHBondContact O-N 3.25Å; D392-D395 VanDerWaalsContact O-N 3.1Å; D392-H396 WeakPolarHBondContact CB-O 3.4Å; D392-H396 PolarHBondContact N-O 3.34Å; D392-W398 HydrophobicContact CB-CH2 3.61Å; D392-W398 HydrophobicContact CB-CZ3 3.38Å; D392-K435 WeakPolarHBondContact OD2-CE 3.45Å; D392-K435 IonicContact OD2-NZ 3.15Å; D392-K435 PolarHBondContact OD2-NZ 3.11Å; D392-I440 HydrophobicContact CB-CG1 4.08Å
393	W	95.4	Very high	96.4	Very high	45 Å²	45	16.4 Å²	16.4	17%	0.17	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-8	-179.9	-97.6	-121.3	0	0	0	113.6	F227 R230 L231 Y234 M391 D395 N438 Y439 M441	F227-W393 AromaticContact CD2-NE1 3.98Å; F227-W393 AromaticContact CE2-NE1 3.66Å; R230-W393 HydrophobicContact CG-CZ2 4.46Å; L231-W393 HydrophobicContact CD1-CH2 4Å; L231-W393 HydrophobicContact CD1-CZ2 4.4Å; Y234-W393 HydrophobicContact CD2-CH2 4.01Å; Y234-W393 HydrophobicContact CD2-CZ2 4.46Å; Y234-W393 AromaticContact CE2-CH2 4Å; Y234-W393 HydrophobicContact CE2-CH2 4Å; Y234-W393 HydrophobicContact CE2-CZ2 4.19Å; M391-W393 HydrophobicContact CB-CE3 4.25Å; M391-W393 HydrophobicContact CB-CH2 4.47Å; M391-W393 HydrophobicContact CB-CZ3 3.61Å; W393-D395 VanDerWaalsContact C-N 3.33Å; W393-N438 WeakPolarHBondContact CB-OD1 3.31Å; W393-Y439 PolarHBondContact N-O 2.99Å; W393-M441 HydrophobicContact CE3-CG 4.25Å; W393-M441 HydrophobicContact CH2-CB 4.31Å; W393-M441 HydrophobicContact CH2-CG 4.08Å; W393-M441 HydrophobicContact CZ3-CB 3.8Å; W393-M441 HydrophobicContact CZ3-CG 3.68Å
394	T	93.6	Very high	96.2	Very high	28 Å²	28	20.9 Å²	20.9	17%	0.172	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	23.9	173.8	71	0	0	0	0	113.4	D392 K435 N438	D392-T394 PolarHBondContact O-N 3.48Å; D392-T394 WeakPolarHBondContact OD1-CB 3.42Å; D392-T394 PolarHBondContact OD1-N 3.23Å; D392-T394 PolarHBondContact OD1-OG1 3.09Å; D392-T394 PolarHBondContact OD2-OG1 3.1Å; T394-K435 VanDerWaalsContact C-NZ 3.34Å; T394-K435 WeakPolarHBondContact O-CE 3.5Å; T394-K435 PolarHBondContact O-NZ 3.18Å; T394-K435 WeakPolarHBondContact OG1-CE 3.2Å; T394-K435 PolarHBondContact OG1-NZ 3.42Å; T394-N438 HydrophobicContact CG2-CB 4.39Å; T394-N438 VanDerWaalsContact CG2-OD1 3.22Å; T394-N438 WeakPolarHBondContact CG2-OD1 3.4Å
395	D	90.9	Very high	95.9	Very high	102 Å²	102	22.1 Å²	22.1	55%	0.545	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.9	56.6	170.1	-170.8	39.7	0	0	0	113.7	D392 W393 K435 R556	D392-D395 PolarHBondContact O-N 3.25Å; D392-D395 VanDerWaalsContact O-N 3.1Å; W393-D395 VanDerWaalsContact C-N 3.33Å; D395-K435 PolarHBondContact O-NZ 3.33Å; D395-R556 IonicContact OD2-NH1 2.66Å
396	H	95	Very high	95.3	Very high	1 Å²	1	24 Å²	24	1%	0.005	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	157.5	163	-164.2	61	0	0	0	110.6	C361 D392 W398 D417 Y429 W433 K435 R545	C361-H396 VanDerWaalsContact CB-ND1 3.34Å; C361-H396 WeakPolarHBondContact CB-ND1 3.49Å; D392-H396 WeakPolarHBondContact CB-O 3.4Å; D392-H396 PolarHBondContact N-O 3.34Å; H396-W398 HydrophobicContact CB-CZ3 4.3Å; H396-W398 AromaticContact CD2-CE3 3.54Å; H396-W398 AromaticContact CD2-CZ3 3.93Å; H396-D417 IonicContact CD2-OD2 3.37Å; H396-D417 IonicContact CE1-OD2 2.8Å; H396-D417 IonicContact NE2-OD2 3.57Å; H396-D417 PolarHBondContact NE2-OD2 2.97Å; H396-Y429 AromaticContact CD2-CD1 4Å; H396-Y429 AromaticContact CD2-CE1 3.33Å; H396-Y429 WeakPolarHBondContact CD2-CE1 3.15Å; H396-Y429 AromaticContact CD2-CZ 3.68Å; H396-Y429 AromaticContact NE2-CE1 3.55Å; H396-W433 AromaticContact CD2-CZ3 3.98Å; H396-W433 AromaticContact CE1-CH2 3.6Å; H396-W433 AromaticContact CE1-CZ3 3.99Å; H396-W433 AromaticContact CG-CZ3 3.97Å; H396-W433 AromaticContact ND1-CZ3 3.95Å; H396-W433 AromaticContact NE2-CH2 3.61Å; H396-K435 VanDerWaalsContact CB-NZ 3.28Å; H396-R545 PolarHBondContact ND1-NH2 3.37Å
397	V	97.4	Very high	94.6	Very high	12 Å²	12	32 Å²	32	7%	0.073	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	139.5	-177.7	-168.1	0	0	0	0	109.2	A365 L389 V390 M391	A365-V397 HydrophobicContact CB-CB 3.96Å; A365-V397 HydrophobicContact CB-CG1 3.53Å; L389-V397 HydrophobicContact CD1-CG1 3.88Å; L389-V397 HydrophobicContact CG-CG1 4.41Å; V390-V397 WeakPolarHBondContact O-CA 3.45Å; V390-V397 WeakPolarHBondContact O-CG1 3.47Å; M391-V397 HydrophobicContact CE-CG1 4.4Å; M391-V397 HydrophobicContact CE-CG2 3.72Å; M391-V397 HydrophobicContact SD-CB 4.35Å; M391-V397 HydrophobicContact SD-CG1 3.45Å; M391-V397 WeakPolarHBondContact SD-CG1 3.03Å; M391-V397 HydrophobicContact SD-CG2 3.88Å
398	W	98.4	Very high	94	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	-166.2	-179.9	64.5	95.9	0	0	0	111	V390 D392 H396 H415 D417 Y429 I440 Y472	V390-W398 HydrophobicContact CB-CD2 4.04Å; V390-W398 HydrophobicContact CB-CG 4.13Å; V390-W398 HydrophobicContact CB-CZ2 4.27Å; V390-W398 HydrophobicContact CG1-CD2 4.1Å; V390-W398 HydrophobicContact CG1-CH2 4.22Å; V390-W398 HydrophobicContact CG1-CZ2 3.44Å; V390-W398 VanDerWaalsContact CG1-CZ2 3.44Å; V390-W398 PolarHBondContact N-O 2.98Å; V390-W398 PolarHBondContact O-N 3.48Å; D392-W398 HydrophobicContact CB-CH2 3.61Å; D392-W398 HydrophobicContact CB-CZ3 3.38Å; H396-W398 HydrophobicContact CB-CZ3 4.3Å; H396-W398 AromaticContact CD2-CE3 3.54Å; H396-W398 AromaticContact CD2-CZ3 3.93Å; W398-H415 AromaticContact CD1-CD2 3.58Å; W398-H415 AromaticContact NE1-CD2 3.67Å; W398-D417 HydrophobicContact CB-CB 4.33Å; W398-Y429 AromaticContact CD2-CE2 3.73Å; W398-Y429 HydrophobicContact CD2-CE2 3.73Å; W398-Y429 AromaticContact CD2-CZ 3.79Å; W398-Y429 VanDerWaalsContact CD2-OH 3.26Å; W398-Y429 AromaticContact CE2-CE2 3.64Å; W398-Y429 AromaticContact CE3-CE2 3.74Å; W398-Y429 HydrophobicContact CE3-CE2 3.74Å; W398-Y429 AromaticContact CE3-CZ 3.69Å; W398-Y429 HydrophobicContact CG-CE2 4.47Å; W398-Y429 VanDerWaalsContact CG-OH 3.3Å; W398-Y429 AromaticContact CH2-CD2 3.81Å; W398-Y429 HydrophobicContact CH2-CD2 3.81Å; W398-Y429 AromaticContact CH2-CE2 3.53Å; W398-Y429 HydrophobicContact CH2-CE2 3.53Å; W398-Y429 HydrophobicContact CZ2-CD2 4.13Å; W398-Y429 AromaticContact CZ2-CE2 3.56Å; W398-Y429 HydrophobicContact CZ2-CE2 3.56Å; W398-Y429 HydrophobicContact CZ3-CD2 4.07Å; W398-Y429 AromaticContact CZ3-CE2 3.63Å; W398-Y429 HydrophobicContact CZ3-CE2 3.63Å; W398-Y429 AromaticContact CZ3-CZ 3.96Å; W398-I440 HydrophobicContact CH2-CD1 3.99Å; W398-I440 HydrophobicContact CH2-CG1 4.23Å; W398-I440 HydrophobicContact CH2-CG2 3.57Å; W398-I440 HydrophobicContact CZ2-CD1 4.4Å; W398-I440 HydrophobicContact CZ2-CG2 3.46Å; W398-I440 VanDerWaalsContact CZ2-CG2 3.46Å; W398-Y472 AromaticContact CE2-CE1 3.63Å; W398-Y472 AromaticContact CE2-CZ 3.73Å; W398-Y472 HydrophobicContact CH2-CD1 4.37Å; W398-Y472 HydrophobicContact CH2-CE1 4.44Å; W398-Y472 AromaticContact CZ2-CD1 3.66Å; W398-Y472 HydrophobicContact CZ2-CD1 3.66Å; W398-Y472 HydrophobicContact CZ2-CD2 4.21Å; W398-Y472 AromaticContact CZ2-CE1 3.39Å; W398-Y472 HydrophobicContact CZ2-CE1 3.39Å; W398-Y472 AromaticContact CZ2-CE2 3.96Å; W398-Y472 HydrophobicContact CZ2-CE2 3.96Å; W398-Y472 HydrophobicContact CZ2-CG 4.12Å; W398-Y472 AromaticContact CZ2-CZ 3.57Å; W398-Y472 AromaticContact NE1-CE1 3.5Å; W398-Y472 AromaticContact NE1-CZ 3.33Å; W398-Y472 VanDerWaalsContact NE1-CZ 3.33Å; W398-Y472 PolarHBondContact NE1-OH 3.03Å
399	C	98.5	Very high	93.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	155	-177.1	-52.5	0	0	0	0	111.9	T369 L372 R388 C416	T369-C399 PolarHBondContact OG1-SG 3.5Å; L372-C399 HydrophobicContact CD1-CB 3.76Å; R388-C399 CarbonylContact O-C 3.57Å; R388-C399 VanDerWaalsContact O-CA 3.26Å; R388-C399 WeakPolarHBondContact O-CA 3.38Å; C399-C416 WeakPolarHBondContact CA-O 3.37Å; C399-C416 HydrophobicContact CB-CB 4.3Å; C399-C416 PolarHBondContact N-O 3.05Å; C399-C416 CarbonylContact O-C 3.54Å; C399-C416 WeakPolarHBondContact O-CA 3.44Å; C399-C416 WeakPolarHBondContact O-CB 3.43Å; C399-C416 PolarHBondContact O-N 3.46Å
400	E	98.6	Very high	92.9	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	144.6	162.6	-81	172.6	178.2	0	0	109.7	C387 R388 V390 W413 V414 R471 Y472	C387-E400 CarbonylContact C-O 3.58Å; C387-E400 WeakPolarHBondContact CA-O 3.44Å; R388-E400 HydrophobicContact CB-CB 3.88Å; R388-E400 WeakPolarHBondContact CD-OE2 3.25Å; R388-E400 PolarHBondContact N-O 2.99Å; R388-E400 IonicContact NH1-OE2 2.75Å; R388-E400 PolarHBondContact NH1-OE2 3.38Å; R388-E400 PolarHBondContact O-N 3.44Å; V390-E400 HydrophobicContact CG2-CB 4.1Å; V390-E400 HydrophobicContact CG2-CG 3.75Å; E400-W413 HydrophobicContact CB-CB 4.47Å; E400-W413 HydrophobicContact CB-CE3 4.1Å; E400-V414 VanDerWaalsContact CA-O 3.31Å; E400-V414 WeakPolarHBondContact CA-O 3.26Å; E400-R471 IonicContact OE1-NE 3.38Å; E400-Y472 WeakPolarHBondContact OE1-CE2 3.38Å; E400-Y472 PolarHBondContact OE1-OH 2.85Å
401	V	98.2	Very high	92.7	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	133.8	-179.1	-168.9	0	0	0	0	109.4	L280 L372 F384 L403 V414 C416	L280-V401 HydrophobicContact CD2-CB 4.3Å; L280-V401 HydrophobicContact CD2-CG2 3.98Å; L372-V401 HydrophobicContact CD1-CG2 3.77Å; L372-V401 HydrophobicContact CD2-CG2 4.08Å; F384-V401 HydrophobicContact CB-CG1 3.67Å; F384-V401 HydrophobicContact CD1-CG1 3.47Å; F384-V401 VanDerWaalsContact CD1-CG1 3.47Å; F384-V401 HydrophobicContact CD2-CG1 4.49Å; F384-V401 HydrophobicContact CE1-CG1 4.23Å; F384-V401 HydrophobicContact CG-CG1 3.61Å; V401-L403 HydrophobicContact CB-CD1 4.2Å; V401-L403 HydrophobicContact CB-CG 4.12Å; V401-L403 HydrophobicContact CG1-CD1 4.18Å; V401-L403 HydrophobicContact CG1-CD2 4.07Å; V401-L403 HydrophobicContact CG1-CG 3.8Å; V401-L403 PolarHBondContact O-N 3.47Å; V401-V414 PolarHBondContact N-O 3.06Å; V401-V414 PolarHBondContact O-N 3.44Å; V401-C416 HydrophobicContact CG2-CB 4.25Å
402	W	96.9	Very high	92.5	Very high	17 Å²	17	53.9 Å²	53.9	6%	0.064	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	106	176.9	-170.6	-112.4	0	0	0	110.3	A386 K411 I412 W413 K518 P519	A386-W402 HydrophobicContact CB-CB 3.86Å; A386-W402 PolarHBondContact O-N 3.21Å; W402-K411 HydrophobicContact CD2-CB 4.13Å; W402-K411 VanDerWaalsContact CE2-CB 3.46Å; W402-K411 HydrophobicContact CG-CB 4.43Å; W402-K411 VanDerWaalsContact CH2-O 3.22Å; W402-K411 WeakPolarHBondContact CH2-O 3.38Å; W402-K411 HydrophobicContact CZ2-CB 3.74Å; W402-K411 WeakPolarHBondContact CZ2-O 3.35Å; W402-I412 VanDerWaalsContact CZ3-C 3.42Å; W402-W413 HydrophobicContact CB-CE3 4.1Å; W402-W413 HydrophobicContact CB-CH2 4.33Å; W402-W413 HydrophobicContact CB-CZ3 3.96Å; W402-W413 HydrophobicContact CE3-CB 4.41Å; W402-W413 AromaticContact CE3-CD1 3.69Å; W402-W413 AromaticContact CE3-CD2 3.56Å; W402-W413 HydrophobicContact CE3-CD2 3.56Å; W402-W413 AromaticContact CE3-CE2 3.6Å; W402-W413 HydrophobicContact CE3-CE3 4.19Å; W402-W413 AromaticContact CE3-CG 3.65Å; W402-W413 HydrophobicContact CE3-CG 3.65Å; W402-W413 HydrophobicContact CE3-CZ2 4.29Å; W402-W413 AromaticContact CE3-NE1 3.62Å; W402-W413 AromaticContact CZ3-CD1 3.47Å; W402-W413 VanDerWaalsContact CZ3-CD1 3.47Å; W402-W413 HydrophobicContact CZ3-CD2 4.17Å; W402-W413 AromaticContact CZ3-CG 3.85Å; W402-W413 HydrophobicContact CZ3-CG 3.85Å; W402-W413 AromaticContact CZ3-NE1 3.54Å; W402-K518 HydrophobicContact CZ2-CB 4.2Å; W402-P519 HydrophobicContact CB-CG 4.29Å; W402-P519 HydrophobicContact CD2-CB 3.79Å; W402-P519 HydrophobicContact CD2-CG 3.88Å; W402-P519 HydrophobicContact CE3-CB 3.92Å; W402-P519 HydrophobicContact CE3-CG 4.26Å; W402-P519 HydrophobicContact CG-CB 4.33Å; W402-P519 HydrophobicContact CG-CG 3.89Å; W402-P519 HydrophobicContact CH2-CB 4.18Å; W402-P519 HydrophobicContact CZ2-CB 4.04Å; W402-P519 HydrophobicContact CZ3-CB 4.11Å
403	L	95.1	Very high	92.5	Very high	8 Å²	8	54 Å²	54	4%	0.042	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	160.6	-171.8	-69.1	179.4	0	0	0	111.3	P276 L280 F384 V401 D405 K411 I412 V414	P276-L403 HydrophobicContact CB-CD2 3.67Å; L280-L403 HydrophobicContact CD2-CD1 3.71Å; F384-L403 HydrophobicContact CD1-CD2 3.9Å; F384-L403 HydrophobicContact CE1-CD2 4.29Å; V401-L403 HydrophobicContact CB-CD1 4.2Å; V401-L403 HydrophobicContact CB-CG 4.12Å; V401-L403 HydrophobicContact CG1-CD1 4.18Å; V401-L403 HydrophobicContact CG1-CD2 4.07Å; V401-L403 HydrophobicContact CG1-CG 3.8Å; V401-L403 PolarHBondContact O-N 3.47Å; L403-D405 PolarHBondContact O-N 2.94Å; L403-K411 CarbonylContact O-C 3.58Å; L403-K411 WeakPolarHBondContact O-CA 3.47Å; L403-I412 PolarHBondContact N-O 2.82Å; L403-I412 PolarHBondContact O-N 3.07Å; L403-V414 HydrophobicContact CB-CB 4.39Å; L403-V414 HydrophobicContact CB-CG2 3.82Å; L403-V414 HydrophobicContact CD1-CB 4.29Å; L403-V414 HydrophobicContact CD1-CG2 4.45Å
404	K	91.6	Very high	92.5	Very high	106 Å²	106	51.8 Å²	51.8	46%	0.461	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	134	170.7	-162.7	-176.2	-175.7	-178	0	110.3	R277 D409	R277-K404 PolarHBondContact NH1-O 3.37Å; K404-D409 WeakPolarHBondContact CE-OD1 3.37Å; K404-D409 IonicContact NZ-OD1 2.74Å; K404-D409 PolarHBondContact NZ-OD1 3.26Å
405	D	88.1	Confident	92.7	Very high	35 Å²	35	50.6 Å²	50.6	19%	0.187	24%	0.244	C	C	.	.			trans	-61.4	150.1	170.4	175.4	42.2	0	0	0	110.6	L403 H407 S408 K410 I412	L403-D405 PolarHBondContact O-N 2.94Å; D405-H407 PolarHBondContact O-N 3.14Å; D405-H407 PolarHBondContact OD2-N 3.42Å; D405-S408 WeakPolarHBondContact CB-OG 3.29Å; D405-S408 VanDerWaalsContact O-O 3.12Å; D405-S408 WeakPolarHBondContact OD2-CB 3.32Å; D405-S408 PolarHBondContact OD2-N 2.73Å; D405-S408 PolarHBondContact OD2-OG 3.05Å; D405-K410 VanDerWaalsContact CB-O 3.31Å; D405-K410 WeakPolarHBondContact CB-O 3.31Å; D405-K410 PolarHBondContact N-O 3.32Å; D405-I412 HydrophobicContact CB-CD1 4.02Å; D405-I412 HydrophobicContact CB-CG1 4.13Å; D405-I412 HydrophobicContact CB-CG2 4.33Å
406	K	79.8	Confident	92.9	Very high	114 Å²	114	45.7 Å²	45.7	50%	0.496	22%	0.218	S	C	.	.	S	Bend	trans	-68.2	-28	-179.9	-66.6	-176.2	-171.1	159.7	0	112.4	R277 D424	R277-K406 VanDerWaalsContact CZ-CE 3.44Å; K406-D424 WeakPolarHBondContact CE-OD2 3.47Å; K406-D424 IonicContact NZ-OD2 3.88Å; K406-D424 PolarHBondContact NZ-OD2 2.76Å
407	H	80.8	Confident	93	Very high	170 Å²	170	45.7 Å²	45.7	79%	0.787	22%	0.218	S	C	*	.	S	Bend	trans	-115.4	0.1	-167.9	-57.6	-58.4	0	0	0	113.2	D405	D405-H407 PolarHBondContact O-N 3.14Å; D405-H407 PolarHBondContact OD2-N 3.42Å
408	S	85.6	Confident	92.9	Very high	47 Å²	47	45.1 Å²	45.1	33%	0.329	21%	0.214	S	C	.	.	S	Bend	trans	-150.4	162.5	-179.5	68.9	0	0	0	0	111.9	D405 K410	D405-S408 WeakPolarHBondContact CB-OG 3.29Å; D405-S408 VanDerWaalsContact O-O 3.12Å; D405-S408 WeakPolarHBondContact OD2-CB 3.32Å; D405-S408 PolarHBondContact OD2-N 2.73Å; D405-S408 PolarHBondContact OD2-OG 3.05Å; S408-K410 PolarHBondContact O-N 3.26Å
409	D	84.8	Confident	92.5	Very high	137 Å²	137	45.1 Å²	45.1	73%	0.733	21%	0.214	S	C	*	.	S	Bend	trans	-75.8	-0	175.3	-68.3	-42.3	0	0	0	114.1	K404	K404-D409 WeakPolarHBondContact CE-OD1 3.37Å; K404-D409 IonicContact NZ-OD1 2.74Å; K404-D409 PolarHBondContact NZ-OD1 3.26Å
410	K	90.2	Very high	91.9	Very high	155 Å²	155	45.2 Å²	45.2	67%	0.674	22%	0.215	S	C	*	.	S	Bend	trans	-79.5	144.9	179.1	-63.6	-174.8	178.5	-175.2	0	110.4	D405 S408	D405-K410 VanDerWaalsContact CB-O 3.31Å; D405-K410 WeakPolarHBondContact CB-O 3.31Å; D405-K410 PolarHBondContact N-O 3.32Å; S408-K410 PolarHBondContact O-N 3.26Å
411	K	92.7	Very high	91.2	Very high	96 Å²	96	47.4 Å²	47.4	42%	0.417	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	144	166.9	-66.5	-174.9	178	172.8	0	110.6	D385 W402 L403	D385-K411 IonicContact OD2-NZ 3.01Å; D385-K411 PolarHBondContact OD2-NZ 3.31Å; W402-K411 HydrophobicContact CD2-CB 4.13Å; W402-K411 VanDerWaalsContact CE2-CB 3.46Å; W402-K411 HydrophobicContact CG-CB 4.43Å; W402-K411 VanDerWaalsContact CH2-O 3.22Å; W402-K411 WeakPolarHBondContact CH2-O 3.38Å; W402-K411 HydrophobicContact CZ2-CB 3.74Å; W402-K411 WeakPolarHBondContact CZ2-O 3.35Å; L403-K411 CarbonylContact O-C 3.58Å; L403-K411 WeakPolarHBondContact O-CA 3.47Å
412	I	93.9	Very high	90.7	Very high	52 Å²	52	48.3 Å²	48.3	27%	0.267	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	163.5	179.2	61.9	170.2	0	0	0	109.9	W402 L403 D405 V414	W402-I412 VanDerWaalsContact CZ3-C 3.42Å; L403-I412 PolarHBondContact N-O 2.82Å; L403-I412 PolarHBondContact O-N 3.07Å; D405-I412 HydrophobicContact CB-CD1 4.02Å; D405-I412 HydrophobicContact CB-CG1 4.13Å; D405-I412 HydrophobicContact CB-CG2 4.33Å; I412-V414 HydrophobicContact CD1-CG2 4.25Å; I412-V414 HydrophobicContact CG1-CG2 3.86Å; I412-V414 PolarHBondContact O-N 2.81Å
413	W	97.3	Very high	90.3	Very high	8 Å²	8	48.5 Å²	48.5	3%	0.03	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	113.5	166.8	-69.1	111	0	0	0	109.7	A386 R388 E400 W402 T444 P519	A386-W413 HydrophobicContact CB-CH2 3.6Å; A386-W413 HydrophobicContact CB-CZ2 4.44Å; A386-W413 HydrophobicContact CB-CZ3 4.12Å; R388-W413 HydrophobicContact CB-CZ3 4.22Å; R388-W413 HydrophobicContact CG-CE3 4.18Å; R388-W413 HydrophobicContact CG-CH2 3.76Å; R388-W413 HydrophobicContact CG-CZ2 4.24Å; R388-W413 HydrophobicContact CG-CZ3 3.74Å; R388-W413 VanDerWaalsContact NE-CZ2 3.34Å; E400-W413 HydrophobicContact CB-CB 4.47Å; E400-W413 HydrophobicContact CB-CE3 4.1Å; W402-W413 HydrophobicContact CB-CE3 4.1Å; W402-W413 HydrophobicContact CB-CH2 4.33Å; W402-W413 HydrophobicContact CB-CZ3 3.96Å; W402-W413 HydrophobicContact CE3-CB 4.41Å; W402-W413 AromaticContact CE3-CD1 3.69Å; W402-W413 AromaticContact CE3-CD2 3.56Å; W402-W413 HydrophobicContact CE3-CD2 3.56Å; W402-W413 AromaticContact CE3-CE2 3.6Å; W402-W413 HydrophobicContact CE3-CE3 4.19Å; W402-W413 AromaticContact CE3-CG 3.65Å; W402-W413 HydrophobicContact CE3-CG 3.65Å; W402-W413 HydrophobicContact CE3-CZ2 4.29Å; W402-W413 AromaticContact CE3-NE1 3.62Å; W402-W413 AromaticContact CZ3-CD1 3.47Å; W402-W413 VanDerWaalsContact CZ3-CD1 3.47Å; W402-W413 HydrophobicContact CZ3-CD2 4.17Å; W402-W413 AromaticContact CZ3-CG 3.85Å; W402-W413 HydrophobicContact CZ3-CG 3.85Å; W402-W413 AromaticContact CZ3-NE1 3.54Å; W413-T444 HydrophobicContact CH2-CG2 3.97Å; W413-T444 HydrophobicContact CZ2-CG2 4.09Å; W413-P519 HydrophobicContact CH2-CG 3.76Å; W413-P519 HydrophobicContact CZ2-CB 3.71Å; W413-P519 HydrophobicContact CZ2-CG 3.36Å
414	V	95.9	Very high	90.1	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	122.5	-179.7	176.4	0	0	0	0	109.7	E400 V401 L403 I412 L423 D424	E400-V414 VanDerWaalsContact CA-O 3.31Å; E400-V414 WeakPolarHBondContact CA-O 3.26Å; V401-V414 PolarHBondContact N-O 3.06Å; V401-V414 PolarHBondContact O-N 3.44Å; L403-V414 HydrophobicContact CB-CB 4.39Å; L403-V414 HydrophobicContact CB-CG2 3.82Å; L403-V414 HydrophobicContact CD1-CB 4.29Å; L403-V414 HydrophobicContact CD1-CG2 4.45Å; I412-V414 HydrophobicContact CD1-CG2 4.25Å; I412-V414 HydrophobicContact CG1-CG2 3.86Å; I412-V414 PolarHBondContact O-N 2.81Å; V414-L423 HydrophobicContact CG1-CD1 3.76Å; V414-L423 HydrophobicContact CG1-CG 4.22Å; V414-D424 HydrophobicContact CG1-CB 3.7Å
415	H	97	Very high	90.1	Very high	2 Å²	2	48 Å²	48	1%	0.009	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57	135.2	172.7	159.4	-88.1	0	0	0	111.7	W398 D424 K425 P426 Y429 Y472	W398-H415 AromaticContact CD1-CD2 3.58Å; W398-H415 AromaticContact NE1-CD2 3.67Å; H415-D424 PolarHBondContact O-N 3.17Å; H415-K425 PolarHBondContact ND1-N 3.09Å; H415-P426 HydrophobicContact CB-CB 4.36Å; H415-Y429 AromaticContact NE2-CE2 3.78Å; H415-Y429 AromaticContact NE2-CZ 3.55Å; H415-Y429 PolarHBondContact NE2-OH 2.89Å; H415-Y472 HydrophobicContact CB-CE1 4.41Å; H415-Y472 AromaticContact CD2-CE1 3.61Å
416	C	95.2	Very high	90.4	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	110.8	-178.3	-176	0	0	0	0	110.5	C399 V401 L423	C399-C416 WeakPolarHBondContact CA-O 3.37Å; C399-C416 HydrophobicContact CB-CB 4.3Å; C399-C416 PolarHBondContact N-O 3.05Å; C399-C416 CarbonylContact O-C 3.54Å; C399-C416 WeakPolarHBondContact O-CA 3.44Å; C399-C416 WeakPolarHBondContact O-CB 3.43Å; C399-C416 PolarHBondContact O-N 3.46Å; V401-C416 HydrophobicContact CG2-CB 4.25Å; C416-L423 HydrophobicContact CB-CD1 4.25Å
417	D	97.2	Very high	91	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	106.9	179.1	-167.5	-40.3	0	0	0	110.9	H396 W398 C419 E420 V421 Q422 Y429	H396-D417 IonicContact CD2-OD2 3.37Å; H396-D417 IonicContact CE1-OD2 2.8Å; H396-D417 IonicContact NE2-OD2 3.57Å; H396-D417 PolarHBondContact NE2-OD2 2.97Å; W398-D417 HydrophobicContact CB-CB 4.33Å; D417-C419 VanDerWaalsContact C-N 3.33Å; D417-C419 PolarHBondContact O-N 3.27Å; D417-C419 WeakPolarHBondContact OD1-CA 3.42Å; D417-C419 VanDerWaalsContact OD1-CB 3.29Å; D417-C419 WeakPolarHBondContact OD1-CB 3.47Å; D417-C419 PolarHBondContact OD1-N 3.17Å; D417-E420 HydrophobicContact CB-CB 4.25Å; D417-E420 PolarHBondContact O-N 2.93Å; D417-E420 PolarHBondContact OD1-N 2.61Å; D417-E420 VanDerWaalsContact OD1-N 3.11Å; D417-V421 WeakPolarHBondContact O-CA 3.48Å; D417-V421 PolarHBondContact O-N 3.22Å; D417-Q422 HydrophobicContact CB-CB 4.39Å; D417-Q422 PolarHBondContact N-O 3.38Å; D417-Q422 PolarHBondContact O-N 3.14Å; D417-Y429 WeakPolarHBondContact OD2-CE1 3.26Å; D417-Y429 PolarHBondContact OD2-OH 2.91Å
418	P	94.7	Very high	91.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-26.3	-180	28.6	-34.6	0	0	0	113.8	L284 F287 W364 F368 E420	L284-P418 VanDerWaalsContact CD2-CA 3.46Å; L284-P418 HydrophobicContact CD2-CB 4Å; F287-P418 HydrophobicContact CD1-CB 3.9Å; F287-P418 HydrophobicContact CE1-CB 4.05Å; W364-P418 HydrophobicContact CB-CG 4.49Å; W364-P418 HydrophobicContact CE3-CB 4.31Å; W364-P418 WeakPolarHBondContact CZ3-O 3.4Å; F368-P418 HydrophobicContact CB-CB 3.85Å; F368-P418 HydrophobicContact CB-CG 3.8Å; F368-P418 HydrophobicContact CD1-CB 3.8Å; F368-P418 HydrophobicContact CD1-CG 4.01Å; F368-P418 HydrophobicContact CD2-CB 3.94Å; F368-P418 HydrophobicContact CE1-CB 4.32Å; F368-P418 HydrophobicContact CE2-CB 4.43Å; F368-P418 HydrophobicContact CG-CB 3.58Å; F368-P418 HydrophobicContact CG-CG 3.95Å; P418-E420 VanDerWaalsContact C-N 3.34Å
419	C	90.5	Very high	92	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-38.9	178.5	-51.4	0	0	0	0	110.2	K288 W294 W364 D417 T547	K288-C419 WeakPolarHBondContact CD-O 3.48Å; K288-C419 WeakPolarHBondContact CE-O 3.32Å; K288-C419 PolarHBondContact NZ-O 3.24Å; W294-C419 HydrophobicContact CZ3-CB 4.14Å; W364-C419 WeakPolarHBondContact CB-SG 3.36Å; W364-C419 HydrophobicContact CD2-CB 4.42Å; W364-C419 HydrophobicContact CE3-CB 4.23Å; W364-C419 VanDerWaalsContact CG-SG 3.57Å; D417-C419 VanDerWaalsContact C-N 3.33Å; D417-C419 PolarHBondContact O-N 3.27Å; D417-C419 WeakPolarHBondContact OD1-CA 3.42Å; D417-C419 VanDerWaalsContact OD1-CB 3.29Å; D417-C419 WeakPolarHBondContact OD1-CB 3.47Å; D417-C419 PolarHBondContact OD1-N 3.17Å; C419-T547 HydrophobicContact CB-CG2 4.04Å; C419-T547 WeakPolarHBondContact O-CG2 3.4Å
420	E	86.2	Confident	92.4	Very high	3 Å²	3	25.8 Å²	25.8	1%	0.014	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-5.3	-170.6	-58.1	-68.4	156.3	0	0	113	D417 P418 Q422 L428 W433 R545 Q546 T547	D417-E420 HydrophobicContact CB-CB 4.25Å; D417-E420 PolarHBondContact O-N 2.93Å; D417-E420 PolarHBondContact OD1-N 2.61Å; D417-E420 VanDerWaalsContact OD1-N 3.11Å; P418-E420 VanDerWaalsContact C-N 3.34Å; E420-Q422 HydrophobicContact CB-CB 4.4Å; E420-Q422 HydrophobicContact CB-CG 3.72Å; E420-Q422 WeakPolarHBondContact O-CG 3.4Å; E420-Q422 PolarHBondContact O-N 3.22Å; E420-Q422 PolarHBondContact O-NE2 2.85Å; E420-L428 HydrophobicContact CB-CD2 4.38Å; E420-W433 HydrophobicContact CG-CH2 4.06Å; E420-W433 HydrophobicContact CG-CZ2 3.61Å; E420-R545 WeakPolarHBondContact OE1-CG 3.42Å; E420-Q546 VanDerWaalsContact OE2-CB 3.31Å; E420-Q546 WeakPolarHBondContact OE2-CB 3.49Å; E420-Q546 PolarHBondContact OE2-N 3.09Å; E420-T547 WeakPolarHBondContact OE1-CB 3.26Å; E420-T547 WeakPolarHBondContact OE1-CG2 3.5Å; E420-T547 PolarHBondContact OE1-N 3.31Å; E420-T547 PolarHBondContact OE1-OG1 2.96Å
421	V	83.8	Confident	92.4	Very high	45 Å²	45	20.6 Å²	20.6	27%	0.273	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	41.2	-172.7	-161.1	0	0	0	0	110.5	L284 I285 K288 D417	L284-V421 HydrophobicContact CB-CG1 3.96Å; I285-V421 HydrophobicContact CG1-CG1 3.84Å; K288-V421 HydrophobicContact CB-CG2 3.9Å; K288-V421 HydrophobicContact CD-CG2 3.15Å; K288-V421 HydrophobicContact CG-CG2 4.14Å; D417-V421 WeakPolarHBondContact O-CA 3.48Å; D417-V421 PolarHBondContact O-N 3.22Å
422	Q	86.8	Confident	92.2	Very high	20 Å²	20	16 Å²	16	9%	0.093	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	128.9	-179.9	-61.1	-53.7	-54.1	0	0	109.9	D417 E420 L428	D417-Q422 HydrophobicContact CB-CB 4.39Å; D417-Q422 PolarHBondContact N-O 3.38Å; D417-Q422 PolarHBondContact O-N 3.14Å; E420-Q422 HydrophobicContact CB-CB 4.4Å; E420-Q422 HydrophobicContact CB-CG 3.72Å; E420-Q422 WeakPolarHBondContact O-CG 3.4Å; E420-Q422 PolarHBondContact O-N 3.22Å; E420-Q422 PolarHBondContact O-NE2 2.85Å; Q422-L428 HydrophobicContact CB-CD2 3.92Å; Q422-L428 HydrophobicContact CG-CD1 4.37Å; Q422-L428 HydrophobicContact CG-CD2 3.7Å
423	L	89.3	Confident	92	Very high	21 Å²	21	13.7 Å²	13.7	11%	0.11	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	128.7	177.6	-174.9	68.6	0	0	0	109	R277 L280 L284 V414 C416	R277-L423 HydrophobicContact CG-CD2 3.87Å; L280-L423 HydrophobicContact CD2-CD1 3.49Å; L280-L423 VanDerWaalsContact CD2-CD1 3.49Å; L280-L423 HydrophobicContact CG-CD1 4.18Å; L284-L423 HydrophobicContact CD1-CB 4.37Å; V414-L423 HydrophobicContact CG1-CD1 3.76Å; V414-L423 HydrophobicContact CG1-CG 4.22Å; C416-L423 HydrophobicContact CB-CD1 4.25Å
424	D	90.5	Very high	91.6	Very high	39 Å²	39	18.1 Å²	18.1	21%	0.209	10%	0.099	C	C	.	.	S	Bend	trans	58.6	49	173.8	-160.3	20.4	0	0	0	113.9	R277 K406 V414 H415	R277-D424 IonicContact CZ-OD2 3.55Å; R277-D424 IonicContact NH1-OD2 3.35Å; R277-D424 VanDerWaalsContact NH2-CG 3.25Å; R277-D424 IonicContact NH2-OD2 2.84Å; R277-D424 PolarHBondContact NH2-OD2 2.95Å; K406-D424 WeakPolarHBondContact CE-OD2 3.47Å; K406-D424 IonicContact NZ-OD2 3.88Å; K406-D424 PolarHBondContact NZ-OD2 2.76Å; V414-D424 HydrophobicContact CG1-CB 3.7Å; H415-D424 PolarHBondContact O-N 3.17Å
425	K	91.5	Very high	91.4	Very high	63 Å²	63	18.7 Å²	18.7	27%	0.274	10%	0.101	S	C	.	.			trans	-134.1	62.3	177.9	-67	-176.1	-175.8	178.9	0	109.6	H415 L427 L428 L542	H415-K425 PolarHBondContact ND1-N 3.09Å; K425-L427 PolarHBondContact O-N 3.33Å; K425-L427 VanDerWaalsContact O-N 3.15Å; K425-L428 HydrophobicContact CB-CB 4.42Å; K425-L428 WeakPolarHBondContact O-CB 3.39Å; K425-L428 PolarHBondContact O-N 2.68Å; K425-L542 HydrophobicContact CB-CD2 4.03Å; K425-L542 HydrophobicContact CD-CD2 3.82Å; K425-L542 HydrophobicContact CG-CD2 4.07Å
426	P	94	Very high	91.3	Very high	23 Å²	23	26.1 Å²	26.1	15%	0.149	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-60.9	-27.2	-175.5	25.8	-35.2	0	0	0	112.9	H415 L428 R471 Y472	H415-P426 HydrophobicContact CB-CB 4.36Å; P426-L428 PolarHBondContact O-N 2.78Å; P426-R471 HydrophobicContact CB-CG 3.98Å; P426-R471 HydrophobicContact CG-CG 4.38Å; P426-Y472 HydrophobicContact CB-CD1 3.81Å; P426-Y472 HydrophobicContact CB-CE1 3.73Å; P426-Y472 HydrophobicContact CB-CG 4.33Å; P426-Y472 WeakPolarHBondContact O-CD1 3.22Å
427	L	94.1	Very high	91.4	Very high	8 Å²	8	26.1 Å²	26.1	4%	0.042	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-79.8	4.5	177.8	-60.3	178.4	0	0	0	113.8	K425 Y429 S431 G432 Q474 C538 L542	K425-L427 PolarHBondContact O-N 3.33Å; K425-L427 VanDerWaalsContact O-N 3.15Å; L427-Y429 PolarHBondContact O-N 3.32Å; L427-S431 WeakPolarHBondContact O-CA 3.38Å; L427-S431 VanDerWaalsContact O-CB 3.32Å; L427-S431 WeakPolarHBondContact O-CB 3.47Å; L427-S431 PolarHBondContact O-N 2.9Å; L427-G432 PolarHBondContact O-N 3.5Å; L427-Q474 HydrophobicContact CD1-CG 3.54Å; L427-Q474 HydrophobicContact CD2-CG 3.82Å; L427-Q474 HydrophobicContact CG-CG 4.33Å; L427-C538 HydrophobicContact CD1-CB 3.5Å; L427-C538 VanDerWaalsContact CD1-CB 3.5Å; L427-L542 VanDerWaalsContact C-CD1 3.42Å; L427-L542 HydrophobicContact CB-CD1 3.77Å; L427-L542 WeakPolarHBondContact O-CD1 3.28Å
428	L	91.9	Very high	91.4	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-51.1	-42.6	178.2	177.5	66.7	0	0	0	112	E420 Q422 K425 P426 G432 W433 P543	E420-L428 HydrophobicContact CB-CD2 4.38Å; Q422-L428 HydrophobicContact CB-CD2 3.92Å; Q422-L428 HydrophobicContact CG-CD1 4.37Å; Q422-L428 HydrophobicContact CG-CD2 3.7Å; K425-L428 HydrophobicContact CB-CB 4.42Å; K425-L428 WeakPolarHBondContact O-CB 3.39Å; K425-L428 PolarHBondContact O-N 2.68Å; P426-L428 PolarHBondContact O-N 2.78Å; L428-G432 CarbonylContact O-C 3.52Å; L428-G432 WeakPolarHBondContact O-CA 3.5Å; L428-G432 PolarHBondContact O-N 2.99Å; L428-W433 HydrophobicContact CD2-CZ2 4.39Å; L428-W433 PolarHBondContact O-N 2.93Å; L428-P543 HydrophobicContact CD1-CG 3.89Å; L428-P543 WeakPolarHBondContact CD1-O 3.32Å
429	Y	94.5	Very high	91.5	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-52.2	-173.7	-46.2	-57.4	0	0	0	112	H396 W398 H415 D417 L427 W433 N434 K435 Y472	H396-Y429 AromaticContact CD2-CD1 4Å; H396-Y429 AromaticContact CD2-CE1 3.33Å; H396-Y429 WeakPolarHBondContact CD2-CE1 3.15Å; H396-Y429 AromaticContact CD2-CZ 3.68Å; H396-Y429 AromaticContact NE2-CE1 3.55Å; W398-Y429 AromaticContact CD2-CE2 3.73Å; W398-Y429 HydrophobicContact CD2-CE2 3.73Å; W398-Y429 AromaticContact CD2-CZ 3.79Å; W398-Y429 VanDerWaalsContact CD2-OH 3.26Å; W398-Y429 AromaticContact CE2-CE2 3.64Å; W398-Y429 AromaticContact CE3-CE2 3.74Å; W398-Y429 HydrophobicContact CE3-CE2 3.74Å; W398-Y429 AromaticContact CE3-CZ 3.69Å; W398-Y429 HydrophobicContact CG-CE2 4.47Å; W398-Y429 VanDerWaalsContact CG-OH 3.3Å; W398-Y429 AromaticContact CH2-CD2 3.81Å; W398-Y429 HydrophobicContact CH2-CD2 3.81Å; W398-Y429 AromaticContact CH2-CE2 3.53Å; W398-Y429 HydrophobicContact CH2-CE2 3.53Å; W398-Y429 HydrophobicContact CZ2-CD2 4.13Å; W398-Y429 AromaticContact CZ2-CE2 3.56Å; W398-Y429 HydrophobicContact CZ2-CE2 3.56Å; W398-Y429 HydrophobicContact CZ3-CD2 4.07Å; W398-Y429 AromaticContact CZ3-CE2 3.63Å; W398-Y429 HydrophobicContact CZ3-CE2 3.63Å; W398-Y429 AromaticContact CZ3-CZ 3.96Å; H415-Y429 AromaticContact NE2-CE2 3.78Å; H415-Y429 AromaticContact NE2-CZ 3.55Å; H415-Y429 PolarHBondContact NE2-OH 2.89Å; D417-Y429 WeakPolarHBondContact OD2-CE1 3.26Å; D417-Y429 PolarHBondContact OD2-OH 2.91Å; L427-Y429 PolarHBondContact O-N 3.32Å; Y429-W433 HydrophobicContact CD1-CD2 4.1Å; Y429-W433 AromaticContact CD1-CE3 3.8Å; Y429-W433 HydrophobicContact CD1-CE3 3.8Å; Y429-W433 HydrophobicContact CD1-CH2 4.01Å; Y429-W433 HydrophobicContact CD1-CZ2 4.31Å; Y429-W433 AromaticContact CD1-CZ3 3.73Å; Y429-W433 HydrophobicContact CD1-CZ3 3.73Å; Y429-W433 AromaticContact CE1-CH2 3.93Å; Y429-W433 HydrophobicContact CE1-CH2 3.93Å; Y429-W433 HydrophobicContact CE1-CZ2 4.29Å; Y429-W433 HydrophobicContact CE1-CZ3 4.05Å; Y429-W433 CarbonylContact O-C 3.55Å; Y429-W433 WeakPolarHBondContact O-CB 3.35Å; Y429-W433 PolarHBondContact O-N 3.07Å; Y429-N434 PolarHBondContact O-N 2.6Å; Y429-K435 WeakPolarHBondContact O-CB 3.39Å; Y429-K435 PolarHBondContact O-N 3.13Å; Y429-Y472 AromaticContact CD2-CD1 3.76Å; Y429-Y472 HydrophobicContact CD2-CD1 3.76Å; Y429-Y472 HydrophobicContact CD2-CE1 4.29Å; Y429-Y472 AromaticContact CE2-CD1 3.81Å; Y429-Y472 HydrophobicContact CE2-CD1 3.81Å; Y429-Y472 AromaticContact CE2-CE1 3.86Å; Y429-Y472 HydrophobicContact CE2-CE1 3.86Å
430	E	93	Very high	91.9	Very high	6 Å²	6	27.4 Å²	27.4	3%	0.028	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-47.1	-180	-176.4	-179.2	-107.6	0	0	111.9	N434 I437 T473 Q474 K475	E430-N434 WeakPolarHBondContact O-CA 3.42Å; E430-N434 PolarHBondContact O-N 2.9Å; E430-I437 HydrophobicContact CB-CD1 4.38Å; E430-T473 VanDerWaalsContact CD-OG1 3.32Å; E430-T473 WeakPolarHBondContact OE1-CB 3.32Å; E430-T473 PolarHBondContact OE1-OG1 2.8Å; E430-T473 WeakPolarHBondContact OE2-CA 3.23Å; E430-T473 PolarHBondContact OE2-OG1 3.13Å; E430-Q474 PolarHBondContact OE2-N 3.4Å; E430-K475 HydrophobicContact CG-CD 4.41Å
431	S	89.9	Confident	92.5	Very high	45 Å²	45	27.2 Å²	27.2	32%	0.315	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-40.5	-173.2	-63	0	0	0	0	112.9	L427	L427-S431 WeakPolarHBondContact O-CA 3.38Å; L427-S431 VanDerWaalsContact O-CB 3.32Å; L427-S431 WeakPolarHBondContact O-CB 3.47Å; L427-S431 PolarHBondContact O-N 2.9Å
432	G	88.1	Confident	93.2	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.01	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-47.2	177.5	0	0	0	0	0	112.5	L427 L428 P543 G560	L427-G432 PolarHBondContact O-N 3.5Å; L428-G432 CarbonylContact O-C 3.52Å; L428-G432 WeakPolarHBondContact O-CA 3.5Å; L428-G432 PolarHBondContact O-N 2.99Å; G432-P543 WeakPolarHBondContact CA-O 3.43Å; G432-G560 VanDerWaalsContact O-CA 3.23Å; G432-G560 WeakPolarHBondContact O-CA 3.49Å
433	W	90.6	Very high	93.8	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.008	12%	0.122	C	C	.	.	S	Bend	trans	-98.9	-2.9	-175.7	-57.1	-1.5	0	0	0	114	H396 E420 L428 Y429 K435 R545 E558	H396-W433 AromaticContact CD2-CZ3 3.98Å; H396-W433 AromaticContact CE1-CH2 3.6Å; H396-W433 AromaticContact CE1-CZ3 3.99Å; H396-W433 AromaticContact CG-CZ3 3.97Å; H396-W433 AromaticContact ND1-CZ3 3.95Å; H396-W433 AromaticContact NE2-CH2 3.61Å; E420-W433 HydrophobicContact CG-CH2 4.06Å; E420-W433 HydrophobicContact CG-CZ2 3.61Å; L428-W433 HydrophobicContact CD2-CZ2 4.39Å; L428-W433 PolarHBondContact O-N 2.93Å; Y429-W433 HydrophobicContact CD1-CD2 4.1Å; Y429-W433 AromaticContact CD1-CE3 3.8Å; Y429-W433 HydrophobicContact CD1-CE3 3.8Å; Y429-W433 HydrophobicContact CD1-CH2 4.01Å; Y429-W433 HydrophobicContact CD1-CZ2 4.31Å; Y429-W433 AromaticContact CD1-CZ3 3.73Å; Y429-W433 HydrophobicContact CD1-CZ3 3.73Å; Y429-W433 AromaticContact CE1-CH2 3.93Å; Y429-W433 HydrophobicContact CE1-CH2 3.93Å; Y429-W433 HydrophobicContact CE1-CZ2 4.29Å; Y429-W433 HydrophobicContact CE1-CZ3 4.05Å; Y429-W433 CarbonylContact O-C 3.55Å; Y429-W433 WeakPolarHBondContact O-CB 3.35Å; Y429-W433 PolarHBondContact O-N 3.07Å; W433-K435 HydrophobicContact CB-CB 4.41Å; W433-K435 PolarHBondContact O-N 3.37Å; W433-R545 VanDerWaalsContact CD1-N 3.27Å; W433-R545 HydrophobicContact CD2-CB 3.96Å; W433-R545 HydrophobicContact CD2-CG 4.34Å; W433-R545 HydrophobicContact CG-CB 4.22Å; W433-R545 HydrophobicContact CH2-CG 3.95Å; W433-R545 HydrophobicContact CZ2-CB 3.91Å; W433-R545 HydrophobicContact CZ2-CG 3.61Å; W433-R545 HydrophobicContact CZ3-CG 4.43Å; W433-R545 VanDerWaalsContact NE1-CA 3.3Å; W433-R545 VanDerWaalsContact NE1-N 3.19Å; W433-E558 HydrophobicContact CB-CB 4.07Å; W433-E558 HydrophobicContact CB-CG 4.07Å; W433-E558 HydrophobicContact CG-CB 4.42Å
434	N	89.6	Confident	94.2	Very high	101 Å²	101	23.3 Å²	23.3	54%	0.54	12%	0.118	S	C	.	.			trans	56.2	30.3	-172.9	-163.6	35.1	0	0	0	113	Y429 E430	Y429-N434 PolarHBondContact O-N 2.6Å; E430-N434 WeakPolarHBondContact O-CA 3.42Å; E430-N434 PolarHBondContact O-N 2.9Å
435	K	91.9	Very high	94.5	Very high	12 Å²	12	21.5 Å²	21.5	5%	0.052	11%	0.108	C	C	.	.			trans	-73.8	132.2	-174.6	-164.3	176.2	-164.4	-167.4	0	111.1	D392 T394 D395 H396 Y429 W433 I437	D392-K435 WeakPolarHBondContact OD2-CE 3.45Å; D392-K435 IonicContact OD2-NZ 3.15Å; D392-K435 PolarHBondContact OD2-NZ 3.11Å; T394-K435 VanDerWaalsContact C-NZ 3.34Å; T394-K435 WeakPolarHBondContact O-CE 3.5Å; T394-K435 PolarHBondContact O-NZ 3.18Å; T394-K435 WeakPolarHBondContact OG1-CE 3.2Å; T394-K435 PolarHBondContact OG1-NZ 3.42Å; D395-K435 PolarHBondContact O-NZ 3.33Å; H396-K435 VanDerWaalsContact CB-NZ 3.28Å; Y429-K435 WeakPolarHBondContact O-CB 3.39Å; Y429-K435 PolarHBondContact O-N 3.13Å; W433-K435 HydrophobicContact CB-CB 4.41Å; W433-K435 PolarHBondContact O-N 3.37Å; K435-I437 VanDerWaalsContact C-N 3.34Å; K435-I437 HydrophobicContact CB-CG2 4.28Å; K435-I437 HydrophobicContact CD-CG2 4.14Å; K435-I437 HydrophobicContact CG-CG2 4.09Å; K435-I437 PolarHBondContact O-N 3.34Å; K435-I437 VanDerWaalsContact O-N 3.08Å
436	K	94.7	Very high	94.6	Very high	159 Å²	159	18.5 Å²	18.5	69%	0.691	10%	0.095	S	C	*	.			trans	-85.4	70.4	178.2	-64.9	-177.6	-179.7	178	0	111.8
437	I	96.3	Very high	94.4	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.093	C	C	.	.			trans	-65.3	154.8	-177.1	58.4	172.3	0	0	0	113.5	E430 K435 I440 Y472 V479 R482	E430-I437 HydrophobicContact CB-CD1 4.38Å; K435-I437 VanDerWaalsContact C-N 3.34Å; K435-I437 HydrophobicContact CB-CG2 4.28Å; K435-I437 HydrophobicContact CD-CG2 4.14Å; K435-I437 HydrophobicContact CG-CG2 4.09Å; K435-I437 PolarHBondContact O-N 3.34Å; K435-I437 VanDerWaalsContact O-N 3.08Å; I437-I440 HydrophobicContact CB-CD1 4.23Å; I437-I440 HydrophobicContact CD1-CD1 3.86Å; I437-I440 HydrophobicContact CG2-CD1 4.29Å; I437-Y472 VanDerWaalsContact CD1-O 3.26Å; I437-Y472 WeakPolarHBondContact CD1-O 3.37Å; I437-V479 HydrophobicContact CG1-CG2 4.05Å; I437-R482 PolarHBondContact O-NE 3.48Å; I437-R482 PolarHBondContact O-NH2 2.7Å
438	N	97.2	Very high	94.2	Very high	26 Å²	26	22.2 Å²	22.2	14%	0.139	11%	0.108	C	C	.	.			trans	-133.9	-58.4	178	61.4	4.4	0	0	0	114.3	W393 T394 T469 R482 R483	W393-N438 WeakPolarHBondContact CB-OD1 3.31Å; T394-N438 HydrophobicContact CG2-CB 4.39Å; T394-N438 VanDerWaalsContact CG2-OD1 3.22Å; T394-N438 WeakPolarHBondContact CG2-OD1 3.4Å; N438-T469 WeakPolarHBondContact O-CG2 3.42Å; N438-R482 HydrophobicContact CB-CB 4.05Å; N438-R483 HydrophobicContact CB-CG 4.46Å; N438-R483 VanDerWaalsContact O-CD 3.24Å; N438-R483 WeakPolarHBondContact O-CD 3.47Å; N438-R483 WeakPolarHBondContact O-CG 3.36Å; N438-R483 PolarHBondContact O-NH1 2.93Å
439	Y	98.1	Very high	93.8	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.136	C	C	.	.			trans	-131	121.3	-178.9	-62.1	-87.2	0	0	0	108.8	F227 W393 M441 R483 N484 M485 I486 L491	F227-Y439 HydrophobicContact CE2-CD1 4.29Å; F227-Y439 HydrophobicContact CE2-CD2 4.26Å; F227-Y439 HydrophobicContact CE2-CE1 4.49Å; F227-Y439 HydrophobicContact CE2-CE2 4.49Å; F227-Y439 HydrophobicContact CE2-CG 4.16Å; F227-Y439 AromaticContact CZ-CD1 3.92Å; F227-Y439 HydrophobicContact CZ-CD1 3.92Å; F227-Y439 HydrophobicContact CZ-CE1 4.17Å; F227-Y439 HydrophobicContact CZ-CG 4.18Å; W393-Y439 PolarHBondContact N-O 2.99Å; Y439-M441 HydrophobicContact CD1-CE 4Å; Y439-R483 HydrophobicContact CD1-CG 4.35Å; Y439-R483 VanDerWaalsContact CD1-NH1 3.34Å; Y439-R483 HydrophobicContact CD2-CG 4.49Å; Y439-R483 HydrophobicContact CE1-CB 4.06Å; Y439-R483 HydrophobicContact CE1-CG 3.99Å; Y439-R483 HydrophobicContact CE2-CB 4.18Å; Y439-R483 HydrophobicContact CE2-CG 4.12Å; Y439-R483 VanDerWaalsContact OH-CA 3.28Å; Y439-R483 WeakPolarHBondContact OH-CA 3.28Å; Y439-R483 PolarHBondContact OH-O 2.94Å; Y439-N484 PolarHBondContact OH-N 2.86Å; Y439-M485 HydrophobicContact CD2-SD 3.94Å; Y439-M485 HydrophobicContact CE2-CB 3.86Å; Y439-M485 HydrophobicContact CE2-CG 3.79Å; Y439-M485 HydrophobicContact CE2-SD 3.83Å; Y439-M485 PolarHBondContact OH-N 3.37Å; Y439-M485 VanDerWaalsContact OH-N 3.14Å; Y439-I486 HydrophobicContact CE1-CG2 4.08Å; Y439-I486 PolarHBondContact OH-N 3.36Å; Y439-L491 HydrophobicContact CD1-CD2 4.29Å; Y439-L491 HydrophobicContact CE1-CD2 4.02Å
440	I	98.4	Very high	93.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	113.2	176.1	-56	171.2	0	0	0	107.3	V390 M391 D392 W398 I437 V468 T469 Y472	V390-I440 HydrophobicContact CG1-CG2 3.38Å; M391-I440 CarbonylContact O-C 3.55Å; M391-I440 WeakPolarHBondContact O-CA 3.28Å; D392-I440 HydrophobicContact CB-CG1 4.08Å; W398-I440 HydrophobicContact CH2-CD1 3.99Å; W398-I440 HydrophobicContact CH2-CG1 4.23Å; W398-I440 HydrophobicContact CH2-CG2 3.57Å; W398-I440 HydrophobicContact CZ2-CD1 4.4Å; W398-I440 HydrophobicContact CZ2-CG2 3.46Å; W398-I440 VanDerWaalsContact CZ2-CG2 3.46Å; I437-I440 HydrophobicContact CB-CD1 4.23Å; I437-I440 HydrophobicContact CD1-CD1 3.86Å; I437-I440 HydrophobicContact CG2-CD1 4.29Å; I440-V468 HydrophobicContact CB-CG2 4.27Å; I440-V468 HydrophobicContact CG2-CG2 3.65Å; I440-V468 WeakPolarHBondContact O-CG2 3.46Å; I440-V468 PolarHBondContact O-N 2.89Å; I440-T469 PolarHBondContact N-OG1 2.88Å; I440-T469 PolarHBondContact O-N 2.98Å; I440-Y472 HydrophobicContact CD1-CD2 4.08Å; I440-Y472 HydrophobicContact CD1-CG 3.84Å; I440-Y472 HydrophobicContact CG2-CD2 4.2Å; I440-Y472 HydrophobicContact CG2-CE2 4.37Å
441	M	98.3	Very high	93.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	124.7	-173.5	-58.7	-66.9	-178.8	0	0	109.6	F227 L231 M391 W393 Y439 Y443 I465 Q466 D467 L491	F227-M441 HydrophobicContact CE1-CE 4.39Å; F227-M441 HydrophobicContact CZ-CE 3.92Å; L231-M441 HydrophobicContact CD1-CB 4.03Å; L231-M441 HydrophobicContact CD1-CE 4.22Å; L231-M441 HydrophobicContact CD1-CG 3.51Å; L231-M441 HydrophobicContact CD1-SD 3.95Å; M391-M441 PolarHBondContact N-O 3.17Å; M391-M441 PolarHBondContact O-N 3.36Å; W393-M441 HydrophobicContact CE3-CG 4.25Å; W393-M441 HydrophobicContact CH2-CB 4.31Å; W393-M441 HydrophobicContact CH2-CG 4.08Å; W393-M441 HydrophobicContact CZ3-CB 3.8Å; W393-M441 HydrophobicContact CZ3-CG 3.68Å; Y439-M441 HydrophobicContact CD1-CE 4Å; M441-Y443 HydrophobicContact CB-CE2 3.91Å; M441-I465 HydrophobicContact CB-CG2 4.25Å; M441-Q466 WeakPolarHBondContact CA-O 3.44Å; M441-D467 HydrophobicContact CE-CB 4.34Å; M441-D467 HydrophobicContact SD-CB 3.91Å; M441-L491 HydrophobicContact CE-CD1 4.14Å; M441-L491 HydrophobicContact CE-CD2 4.11Å
442	A	98.7	Very high	93	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	127.5	176.7	0	0	0	0	0	110.6	R388 V390 I465 Q466 V468	R388-A442 HydrophobicContact CB-CB 4.39Å; R388-A442 HydrophobicContact CG-CB 4.27Å; V390-A442 HydrophobicContact CG1-CB 4.49Å; V390-A442 HydrophobicContact CG2-CB 3.94Å; A442-I465 CarbonylContact O-C 3.57Å; A442-I465 WeakPolarHBondContact O-CA 3.28Å; A442-Q466 PolarHBondContact N-O 3.02Å; A442-Q466 PolarHBondContact O-N 2.75Å; A442-V468 HydrophobicContact CB-CB 4.4Å; A442-V468 HydrophobicContact CB-CG1 3.6Å; A442-V468 HydrophobicContact CB-CG2 3.86Å
443	Y	98.6	Very high	92.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	109	-178.2	-65.2	-102.2	0	0	0	109.5	L231 Y234 R235 V238 R388 L389 M391 M441 V445 V463 D464 I465	L231-Y443 VanDerWaalsContact O-CE1 3.25Å; L231-Y443 WeakPolarHBondContact O-CE1 3.46Å; L231-Y443 PolarHBondContact O-OH 3.48Å; Y234-Y443 VanDerWaalsContact CB-CE1 3.47Å; Y234-Y443 WeakPolarHBondContact CB-OH 3.31Å; R235-Y443 HydrophobicContact CG-CD1 4.31Å; R235-Y443 HydrophobicContact CG-CE1 4.34Å; V238-Y443 HydrophobicContact CG2-CG 4.37Å; R388-Y443 VanDerWaalsContact CA-O 3.23Å; R388-Y443 WeakPolarHBondContact CA-O 3.44Å; L389-Y443 PolarHBondContact N-O 2.8Å; L389-Y443 VanDerWaalsContact N-O 3.11Å; L389-Y443 PolarHBondContact O-N 2.91Å; M391-Y443 HydrophobicContact CB-CE2 4.03Å; M391-Y443 HydrophobicContact CG-CD2 3.96Å; M391-Y443 HydrophobicContact CG-CE2 3.63Å; M441-Y443 HydrophobicContact CB-CE2 3.91Å; Y443-V445 PolarHBondContact O-N 3.45Å; Y443-V463 HydrophobicContact CD1-CG1 4.24Å; Y443-D464 CarbonylContact C-O 3.49Å; Y443-D464 WeakPolarHBondContact CA-O 3.38Å; Y443-I465 HydrophobicContact CD1-CD1 4.21Å; Y443-I465 HydrophobicContact CD1-CG1 3.71Å; Y443-I465 HydrophobicContact CE1-CD1 3.73Å; Y443-I465 HydrophobicContact CE1-CG1 3.68Å; Y443-I465 HydrophobicContact CE1-CG2 4.32Å
444	T	98	Very high	92	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.018	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	122.3	-175.3	-51.4	0	0	0	0	110.5	R388 W413 D464 W506 Y520	R388-T444 HydrophobicContact CG-CG2 4.38Å; R388-T444 PolarHBondContact NE-OG1 2.93Å; W413-T444 HydrophobicContact CH2-CG2 3.97Å; W413-T444 HydrophobicContact CZ2-CG2 4.09Å; T444-D464 PolarHBondContact N-O 3.42Å; T444-W506 HydrophobicContact CG2-CZ2 4.39Å; T444-Y520 HydrophobicContact CG2-CE1 4.02Å
445	V	96.6	Very high	91.8	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.006	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-68.2	126.1	173.8	-171.6	0	0	0	0	108.7	V238 Y241 T369 V373 C387 Y443 Y451 Y520	V238-V445 HydrophobicContact CG1-CB 4.36Å; V238-V445 HydrophobicContact CG1-CG1 4.46Å; V238-V445 HydrophobicContact CG1-CG2 4Å; Y241-V445 HydrophobicContact CD2-CG2 3.99Å; T369-V445 HydrophobicContact CG2-CG2 4.31Å; V373-V445 HydrophobicContact CG1-CG1 4.41Å; V373-V445 HydrophobicContact CG2-CB 4.28Å; V373-V445 HydrophobicContact CG2-CG1 4.01Å; V373-V445 HydrophobicContact CG2-CG2 3.92Å; C387-V445 HydrophobicContact CB-CG2 4.32Å; C387-V445 WeakPolarHBondContact O-CG2 3.34Å; C387-V445 PolarHBondContact O-N 3.16Å; Y443-V445 PolarHBondContact O-N 3.45Å; V445-Y451 WeakPolarHBondContact CG1-OH 3.18Å; V445-Y520 VanDerWaalsContact O-CE1 3.31Å; V445-Y520 WeakPolarHBondContact O-CE1 3.47Å; V445-Y520 PolarHBondContact O-OH 2.75Å
446	P	93.8	Very high	91.4	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-60.4	162.9	-178.2	-24.7	34.9	0	0	0	113.4	M242 R448 Y451 A462 V463	M242-P446 HydrophobicContact CE-CG 3.88Å; M242-P446 HydrophobicContact SD-CB 4.07Å; M242-P446 HydrophobicContact SD-CG 3.67Å; P446-R448 PolarHBondContact O-N 2.86Å; P446-Y451 VanDerWaalsContact O-CE1 3.25Å; P446-Y451 WeakPolarHBondContact O-CE1 3.38Å; P446-Y451 PolarHBondContact O-OH 2.87Å; P446-A462 HydrophobicContact CB-CB 4.17Å; P446-A462 HydrophobicContact CG-CB 3.92Å; P446-A462 WeakPolarHBondContact CG-O 3.34Å; P446-V463 HydrophobicContact CG-CG2 4.07Å
447	P	91	Very high	90.8	Very high	16 Å²	16	41.7 Å²	41.7	10%	0.104	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-57.8	137.4	175	-21.2	28.9	0	0	0	112.7	S449 L450 Y451 W506 Y520	P447-S449 PolarHBondContact O-N 3.22Å; P447-S449 VanDerWaalsContact O-N 3.12Å; P447-L450 HydrophobicContact CB-CD1 4.36Å; P447-L450 HydrophobicContact CB-CG 4.39Å; P447-L450 HydrophobicContact CG-CD1 4.12Å; P447-L450 WeakPolarHBondContact O-CB 3.48Å; P447-L450 PolarHBondContact O-N 3.02Å; P447-Y451 WeakPolarHBondContact O-CE1 3.42Å; P447-W506 HydrophobicContact CG-CB 4.33Å; P447-W506 HydrophobicContact CG-CG 4.16Å; P447-Y520 HydrophobicContact CB-CD2 4.4Å; P447-Y520 HydrophobicContact CB-CE2 4.23Å; P447-Y520 HydrophobicContact CG-CD1 3.69Å; P447-Y520 HydrophobicContact CG-CD2 3.76Å; P447-Y520 HydrophobicContact CG-CE1 3.85Å; P447-Y520 HydrophobicContact CG-CE2 3.92Å; P447-Y520 HydrophobicContact CG-CG 3.62Å
448	R	88.3	Confident	90.3	Very high	94 Å²	94	43.4 Å²	43.4	36%	0.355	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-56.1	-30.8	178.9	-178	171.8	-179.2	170.7	-3.2	114.2	E376 P446 L450 Y451	E376-R448 IonicContact OE1-CZ 2.74Å; E376-R448 IonicContact OE1-NH1 3.73Å; E376-R448 PolarHBondContact OE1-NH1 3.21Å; E376-R448 IonicContact OE1-NH2 2.78Å; E376-R448 PolarHBondContact OE1-NH2 2.92Å; P446-R448 PolarHBondContact O-N 2.86Å; R448-L450 PolarHBondContact O-N 3.32Å; R448-Y451 HydrophobicContact CB-CD2 4.22Å; R448-Y451 HydrophobicContact CB-CE2 3.81Å; R448-Y451 HydrophobicContact CG-CD2 3.79Å; R448-Y451 HydrophobicContact CG-CE2 3.71Å; R448-Y451 PolarHBondContact O-N 3.24Å
449	S	84.7	Confident	90.1	Very high	83 Å²	83	43.5 Å²	43.5	58%	0.58	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-60.1	-13.4	177.5	58.9	0	0	0	0	114.1	P447	P447-S449 PolarHBondContact O-N 3.22Å; P447-S449 VanDerWaalsContact O-N 3.12Å
450	L	86.7	Confident	89.8	Confident	2 Å²	2	45 Å²	45	1%	0.01	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-100	-14.6	-179	-55.2	177.5	0	0	0	113.9	P447 R448 Q452 K453 L454	P447-L450 HydrophobicContact CB-CD1 4.36Å; P447-L450 HydrophobicContact CB-CG 4.39Å; P447-L450 HydrophobicContact CG-CD1 4.12Å; P447-L450 WeakPolarHBondContact O-CB 3.48Å; P447-L450 PolarHBondContact O-N 3.02Å; R448-L450 PolarHBondContact O-N 3.32Å; L450-Q452 VanDerWaalsContact C-N 3.32Å; L450-Q452 PolarHBondContact O-N 3.13Å; L450-K453 PolarHBondContact O-N 2.95Å; L450-L454 HydrophobicContact CB-CD1 3.84Å; L450-L454 HydrophobicContact CB-CG 4.15Å; L450-L454 HydrophobicContact CD1-CD1 4.27Å; L450-L454 PolarHBondContact O-N 3.48Å
451	Y	87.8	Confident	89.4	Confident	13 Å²	13	47.7 Å²	47.7	5%	0.051	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-36.6	-166.1	-66.1	-7.5	0	0	0	114.4	M242 L244 V373 V445 P446 P447 R448 K459	M242-Y451 HydrophobicContact CB-CD1 3.75Å; M242-Y451 HydrophobicContact CB-CD2 4.4Å; M242-Y451 HydrophobicContact CB-CE1 4Å; M242-Y451 HydrophobicContact CB-CG 3.95Å; M242-Y451 HydrophobicContact CG-CD1 3.62Å; M242-Y451 HydrophobicContact CG-CE1 3.44Å; M242-Y451 VanDerWaalsContact CG-CE1 3.44Å; M242-Y451 HydrophobicContact CG-CG 4.31Å; M242-Y451 HydrophobicContact SD-CD1 3.74Å; M242-Y451 HydrophobicContact SD-CE1 3.78Å; L244-Y451 HydrophobicContact CD2-CD2 3.95Å; V373-Y451 HydrophobicContact CG1-CE2 4.48Å; V445-Y451 WeakPolarHBondContact CG1-OH 3.18Å; P446-Y451 VanDerWaalsContact O-CE1 3.25Å; P446-Y451 WeakPolarHBondContact O-CE1 3.38Å; P446-Y451 PolarHBondContact O-OH 2.87Å; P447-Y451 WeakPolarHBondContact O-CE1 3.42Å; R448-Y451 HydrophobicContact CB-CD2 4.22Å; R448-Y451 HydrophobicContact CB-CE2 3.81Å; R448-Y451 HydrophobicContact CG-CD2 3.79Å; R448-Y451 HydrophobicContact CG-CE2 3.71Å; R448-Y451 PolarHBondContact O-N 3.24Å; Y451-K459 WeakPolarHBondContact O-CE 3.42Å; Y451-K459 PolarHBondContact O-NZ 3.37Å
452	Q	85.2	Confident	89.1	Confident	169 Å²	169	47.7 Å²	47.7	79%	0.79	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-11.6	178.4	-68	178.1	-27	0	0	113.7	L244 L450	L244-Q452 HydrophobicContact CD1-CG 3.51Å; L244-Q452 VanDerWaalsContact CD1-NE2 3.26Å; L450-Q452 VanDerWaalsContact C-N 3.32Å; L450-Q452 PolarHBondContact O-N 3.13Å
453	K	78.1	Confident	89	Confident	128 Å²	128	47.7 Å²	47.7	56%	0.557	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	-19.7	-169.3	-60.9	-176.4	-177.7	177.2	0	113.6	L450 N509	L450-K453 PolarHBondContact O-N 2.95Å; K453-N509 VanDerWaalsContact CD-ND2 3.31Å; K453-N509 WeakPolarHBondContact CD-ND2 3.46Å; K453-N509 PolarHBondContact NZ-ND2 3.15Å
454	L	80.8	Confident	88.9	Confident	24 Å²	24	47.8 Å²	47.8	13%	0.126	25%	0.252	C	S	.	.	S	Bend	trans	-105.9	137.5	-174	-59.4	-174.5	0	0	0	110.9	L450 T458 K459 A462 L508	L450-L454 HydrophobicContact CB-CD1 3.84Å; L450-L454 HydrophobicContact CB-CG 4.15Å; L450-L454 HydrophobicContact CD1-CD1 4.27Å; L450-L454 PolarHBondContact O-N 3.48Å; L454-T458 HydrophobicContact CB-CG2 4.43Å; L454-T458 HydrophobicContact CD1-CG2 4.23Å; L454-T458 HydrophobicContact CD2-CG2 3.71Å; L454-T458 HydrophobicContact CG-CG2 4.33Å; L454-K459 HydrophobicContact CB-CG 3.72Å; L454-K459 VanDerWaalsContact O-CE 3.23Å; L454-K459 WeakPolarHBondContact O-CE 2.87Å; L454-A462 HydrophobicContact CD1-CB 4.09Å; L454-L508 HydrophobicContact CD2-CD1 4.35Å
455	D	85.3	Confident	88.9	Confident	96 Å²	96	47.6 Å²	47.6	51%	0.513	25%	0.251	S	S	.	.			trans	-68.1	167.8	163.9	65.6	35.5	0	0	0	111.1	T457 T458 K459	D455-T457 VanDerWaalsContact C-N 3.26Å; D455-T457 PolarHBondContact O-N 2.97Å; D455-T457 WeakPolarHBondContact OD1-CB 3.41Å; D455-T457 PolarHBondContact OD1-N 3.12Å; D455-T457 VanDerWaalsContact OD1-N 3.15Å; D455-T458 PolarHBondContact O-N 3.27Å; D455-T458 VanDerWaalsContact OD1-CB 3.29Å; D455-T458 WeakPolarHBondContact OD1-CB 3.47Å; D455-T458 PolarHBondContact OD1-N 3.01Å; D455-T458 PolarHBondContact OD1-OG1 3Å; D455-K459 WeakPolarHBondContact O-CB 3.27Å; D455-K459 VanDerWaalsContact O-CG 3.31Å; D455-K459 WeakPolarHBondContact O-CG 3.39Å; D455-K459 PolarHBondContact O-N 3.14Å
456	N	82.1	Confident	89	Confident	112 Å²	112	47.6 Å²	47.6	60%	0.599	25%	0.251	S	S	*	.	H	α-helix	trans	-62.3	-32.5	-176.4	-73.9	-13.4	0	0	0	113.3	S460	N456-S460 PolarHBondContact O-N 3.13Å
457	T	82.7	Confident	89.2	Confident	109 Å²	109	48.2 Å²	48.2	67%	0.669	25%	0.254	S	S	*	.	H	α-helix	trans	-65.3	-47	177.3	-55.5	0	0	0	0	110.4	D455 S460 V461	D455-T457 VanDerWaalsContact C-N 3.26Å; D455-T457 PolarHBondContact O-N 2.97Å; D455-T457 WeakPolarHBondContact OD1-CB 3.41Å; D455-T457 PolarHBondContact OD1-N 3.12Å; D455-T457 VanDerWaalsContact OD1-N 3.15Å; T457-S460 WeakPolarHBondContact O-CB 3.08Å; T457-S460 PolarHBondContact O-N 3.08Å; T457-V461 PolarHBondContact O-N 3.32Å; T457-V461 VanDerWaalsContact O-N 3.15Å
458	T	87.1	Confident	89.5	Confident	35 Å²	35	47.5 Å²	47.5	22%	0.215	25%	0.249	C	C	.	.	H	α-helix	trans	-72	-36.6	-179	-48.1	0	0	0	0	111.2	L454 D455 S460 V461 A462 N505	L454-T458 HydrophobicContact CB-CG2 4.43Å; L454-T458 HydrophobicContact CD1-CG2 4.23Å; L454-T458 HydrophobicContact CD2-CG2 3.71Å; L454-T458 HydrophobicContact CG-CG2 4.33Å; D455-T458 PolarHBondContact O-N 3.27Å; D455-T458 VanDerWaalsContact OD1-CB 3.29Å; D455-T458 WeakPolarHBondContact OD1-CB 3.47Å; D455-T458 PolarHBondContact OD1-N 3.01Å; D455-T458 PolarHBondContact OD1-OG1 3Å; T458-S460 VanDerWaalsContact C-N 3.31Å; T458-S460 PolarHBondContact O-N 3.07Å; T458-V461 PolarHBondContact O-N 3.44Å; T458-A462 WeakPolarHBondContact O-CB 3.5Å; T458-A462 PolarHBondContact O-N 3.12Å; T458-N505 VanDerWaalsContact CG2-OD1 3.23Å; T458-N505 WeakPolarHBondContact CG2-OD1 3.42Å
459	K	91.1	Very high	90	Very high	28 Å²	28	43 Å²	43	12%	0.122	23%	0.232	C	C	.	.	H	α-helix	trans	-53.7	-47.4	168.7	-81.6	-179.1	179.4	175.4	0	111.5	V239 M242 Y451 L454 D455 A462 V463	V239-K459 HydrophobicContact CG1-CB 4.22Å; V239-K459 HydrophobicContact CG1-CD 4.22Å; V239-K459 HydrophobicContact CG2-CB 4.11Å; M242-K459 HydrophobicContact CB-CD 4.48Å; M242-K459 HydrophobicContact CE-CB 3.55Å; M242-K459 HydrophobicContact CE-CD 4.21Å; M242-K459 HydrophobicContact CE-CG 3.92Å; M242-K459 HydrophobicContact SD-CB 4.29Å; M242-K459 HydrophobicContact SD-CD 4.26Å; M242-K459 HydrophobicContact SD-CG 4.01Å; Y451-K459 WeakPolarHBondContact O-CE 3.42Å; Y451-K459 PolarHBondContact O-NZ 3.37Å; L454-K459 HydrophobicContact CB-CG 3.72Å; L454-K459 VanDerWaalsContact O-CE 3.23Å; L454-K459 WeakPolarHBondContact O-CE 2.87Å; D455-K459 WeakPolarHBondContact O-CB 3.27Å; D455-K459 VanDerWaalsContact O-CG 3.31Å; D455-K459 WeakPolarHBondContact O-CG 3.39Å; D455-K459 PolarHBondContact O-N 3.14Å; K459-A462 WeakPolarHBondContact O-CB 3.48Å; K459-A462 PolarHBondContact O-N 3.27Å; K459-V463 WeakPolarHBondContact O-CG2 3.39Å; K459-V463 PolarHBondContact O-N 3.09Å
460	S	91.8	Very high	90.6	Very high	33 Å²	33	41.2 Å²	41.2	23%	0.231	21%	0.213	C	C	.	.	H	α-helix	trans	-62.5	-44	178	-175.3	0	0	0	0	112.2	R235 N456 T457 T458 A462 V463	R235-S460 WeakPolarHBondContact CB-OG 3.15Å; R235-S460 VanDerWaalsContact CD-O 3.3Å; R235-S460 WeakPolarHBondContact CD-O 3.48Å; R235-S460 PolarHBondContact NE-O 2.86Å; N456-S460 PolarHBondContact O-N 3.13Å; T457-S460 WeakPolarHBondContact O-CB 3.08Å; T457-S460 PolarHBondContact O-N 3.08Å; T458-S460 VanDerWaalsContact C-N 3.31Å; T458-S460 PolarHBondContact O-N 3.07Å; S460-A462 VanDerWaalsContact C-N 3.27Å; S460-A462 PolarHBondContact O-N 3.32Å; S460-V463 WeakPolarHBondContact O-CB 3.23Å; S460-V463 PolarHBondContact O-N 2.99Å; S460-V463 VanDerWaalsContact O-N 3.13Å
461	V	90	Very high	91.1	Very high	56 Å²	56	42.8 Å²	42.8	34%	0.339	22%	0.219	S	C	.	.	H	α-helix	trans	-64.2	-32.8	176.1	179	0	0	0	0	112	T457 T458 V463 N505	T457-V461 PolarHBondContact O-N 3.32Å; T457-V461 VanDerWaalsContact O-N 3.15Å; T458-V461 PolarHBondContact O-N 3.44Å; V461-V463 PolarHBondContact O-N 2.85Å; V461-N505 WeakPolarHBondContact CG1-ND2 3.45Å
462	A	92.7	Very high	91.5	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-71.3	-14.5	176.3	0	0	0	0	0	113.7	P446 L454 T458 K459 S460 D464 N505 W506	P446-A462 HydrophobicContact CB-CB 4.17Å; P446-A462 HydrophobicContact CG-CB 3.92Å; P446-A462 WeakPolarHBondContact CG-O 3.34Å; L454-A462 HydrophobicContact CD1-CB 4.09Å; T458-A462 WeakPolarHBondContact O-CB 3.5Å; T458-A462 PolarHBondContact O-N 3.12Å; K459-A462 WeakPolarHBondContact O-CB 3.48Å; K459-A462 PolarHBondContact O-N 3.27Å; S460-A462 VanDerWaalsContact C-N 3.27Å; S460-A462 PolarHBondContact O-N 3.32Å; A462-D464 PolarHBondContact O-N 2.78Å; A462-N505 HydrophobicContact CB-CB 3.96Å; A462-W506 PolarHBondContact O-NE1 2.98Å
463	V	96.4	Very high	92	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.179	C	C	.	.	S	Bend	trans	-76	107.6	173.1	179.6	0	0	0	0	109	R235 V238 V239 M242 Y443 P446 K459 S460 V461	R235-V463 HydrophobicContact CB-CB 4.21Å; R235-V463 HydrophobicContact CB-CG1 4.34Å; R235-V463 HydrophobicContact CG-CB 3.99Å; R235-V463 HydrophobicContact CG-CG1 3.97Å; R235-V463 PolarHBondContact NE-O 3.35Å; R235-V463 PolarHBondContact NH2-O 2.84Å; V238-V463 HydrophobicContact CB-CG1 3.95Å; V238-V463 HydrophobicContact CB-CG2 4Å; V238-V463 HydrophobicContact CG1-CB 4.42Å; V238-V463 HydrophobicContact CG1-CG1 3.83Å; V238-V463 HydrophobicContact CG1-CG2 3.65Å; V238-V463 HydrophobicContact CG2-CG1 4.23Å; V239-V463 HydrophobicContact CG2-CG2 4.43Å; M242-V463 HydrophobicContact CE-CG2 4.13Å; Y443-V463 HydrophobicContact CD1-CG1 4.24Å; P446-V463 HydrophobicContact CG-CG2 4.07Å; K459-V463 WeakPolarHBondContact O-CG2 3.39Å; K459-V463 PolarHBondContact O-N 3.09Å; S460-V463 WeakPolarHBondContact O-CB 3.23Å; S460-V463 PolarHBondContact O-N 2.99Å; S460-V463 VanDerWaalsContact O-N 3.13Å; V461-V463 PolarHBondContact O-N 2.85Å
464	D	97.3	Very high	92.7	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	152.2	174.4	-173.5	46	0	0	0	111.8	Y443 T444 A462 I498 H499 A502 W506	Y443-D464 CarbonylContact C-O 3.49Å; Y443-D464 WeakPolarHBondContact CA-O 3.38Å; T444-D464 PolarHBondContact N-O 3.42Å; A462-D464 PolarHBondContact O-N 2.78Å; D464-I498 WeakPolarHBondContact OD1-CG2 3.35Å; D464-H499 VanDerWaalsContact CG-ND1 3.3Å; D464-H499 WeakPolarHBondContact OD1-CA 3.19Å; D464-H499 IonicContact OD1-CE1 3.75Å; D464-H499 IonicContact OD1-CG 3.67Å; D464-H499 IonicContact OD1-ND1 3.4Å; D464-H499 PolarHBondContact OD1-ND1 3.28Å; D464-H499 IonicContact OD2-CE1 2.7Å; D464-H499 IonicContact OD2-ND1 2.71Å; D464-H499 PolarHBondContact OD2-ND1 3.35Å; D464-A502 HydrophobicContact CB-CB 3.64Å; D464-W506 HydrophobicContact CB-CH2 3.46Å; D464-W506 VanDerWaalsContact CB-CH2 3.46Å; D464-W506 HydrophobicContact CB-CZ2 3.48Å; D464-W506 VanDerWaalsContact CB-CZ2 3.48Å
465	I	98.3	Very high	93.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	117.4	177.5	-55.6	166.9	0	0	0	107.8	L231 L232 R235 M441 A442 Y443 L495 I498 H499	L231-I465 HydrophobicContact CD1-CG2 3.93Å; L231-I465 HydrophobicContact CD2-CG2 4.42Å; L231-I465 HydrophobicContact CG-CD1 4.18Å; L231-I465 HydrophobicContact CG-CG2 4.22Å; L232-I465 HydrophobicContact CD2-CD1 4.32Å; R235-I465 HydrophobicContact CG-CD1 3.9Å; R235-I465 HydrophobicContact CG-CG1 4.38Å; M441-I465 HydrophobicContact CB-CG2 4.25Å; A442-I465 CarbonylContact O-C 3.57Å; A442-I465 WeakPolarHBondContact O-CA 3.28Å; Y443-I465 HydrophobicContact CD1-CD1 4.21Å; Y443-I465 HydrophobicContact CD1-CG1 3.71Å; Y443-I465 HydrophobicContact CE1-CD1 3.73Å; Y443-I465 HydrophobicContact CE1-CG1 3.68Å; Y443-I465 HydrophobicContact CE1-CG2 4.32Å; I465-L495 HydrophobicContact CB-CD2 4.36Å; I465-L495 HydrophobicContact CG2-CD2 4.08Å; I465-L495 WeakPolarHBondContact O-CD2 3.22Å; I465-I498 HydrophobicContact CB-CG2 3.92Å; I465-I498 HydrophobicContact CD1-CD1 4.02Å; I465-I498 HydrophobicContact CD1-CG2 4.48Å; I465-I498 HydrophobicContact CG1-CG2 4.21Å; I465-H499 PolarHBondContact O-CE1 2.99Å
466	Q	98	Very high	93.8	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	131.2	178.5	-179.4	70.5	-0.4	0	0	110	M441 A442 V468 H499 F532	M441-Q466 WeakPolarHBondContact CA-O 3.44Å; A442-Q466 PolarHBondContact N-O 3.02Å; A442-Q466 PolarHBondContact O-N 2.75Å; Q466-V468 HydrophobicContact CB-CG1 4.11Å; Q466-V468 HydrophobicContact CG-CG1 3.64Å; Q466-V468 PolarHBondContact O-N 2.84Å; Q466-H499 PolarHBondContact OE1-CE1 2.86Å; Q466-H499 PolarHBondContact OE1-NE2 2.93Å; Q466-H499 VanDerWaalsContact OE1-NE2 3.13Å; Q466-F532 HydrophobicContact CG-CE2 4.35Å
467	D	98.1	Very high	94.5	Very high	13 Å²	13	31.2 Å²	31.2	7%	0.07	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	103.1	166.5	-174	-12.1	0	0	0	109.3	M441 T469 R483 L495 F532	M441-D467 HydrophobicContact CE-CB 4.34Å; M441-D467 HydrophobicContact SD-CB 3.91Å; D467-T469 WeakPolarHBondContact OD1-CB 3.48Å; D467-T469 PolarHBondContact OD1-N 3.35Å; D467-T469 PolarHBondContact OD1-OG1 3.16Å; D467-R483 IonicContact OD1-NH1 3.52Å; D467-R483 IonicContact OD2-CZ 3.05Å; D467-R483 IonicContact OD2-NH1 3.27Å; D467-R483 PolarHBondContact OD2-NH1 3.37Å; D467-R483 IonicContact OD2-NH2 3.84Å; D467-R483 PolarHBondContact OD2-NH2 3.47Å; D467-L495 HydrophobicContact CB-CD1 3.67Å; D467-F532 VanDerWaalsContact O-CE2 3.27Å; D467-F532 WeakPolarHBondContact O-CE2 3.25Å
468	V	98.2	Very high	95.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.158	C	C	.	.			trans	-99.6	7.7	-178.8	-60.8	0	0	0	0	112.4	V390 I440 A442 Q466 W470 R471 Y472 F532	V390-V468 HydrophobicContact CG1-CG2 4.01Å; I440-V468 HydrophobicContact CB-CG2 4.27Å; I440-V468 HydrophobicContact CG2-CG2 3.65Å; I440-V468 WeakPolarHBondContact O-CG2 3.46Å; I440-V468 PolarHBondContact O-N 2.89Å; A442-V468 HydrophobicContact CB-CB 4.4Å; A442-V468 HydrophobicContact CB-CG1 3.6Å; A442-V468 HydrophobicContact CB-CG2 3.86Å; Q466-V468 HydrophobicContact CB-CG1 4.11Å; Q466-V468 HydrophobicContact CG-CG1 3.64Å; Q466-V468 PolarHBondContact O-N 2.84Å; V468-W470 PolarHBondContact O-N 2.82Å; V468-R471 VanDerWaalsContact O-CB 3.26Å; V468-R471 WeakPolarHBondContact O-CB 3.29Å; V468-R471 PolarHBondContact O-N 3.48Å; V468-Y472 HydrophobicContact CB-CE2 4.21Å; V468-Y472 HydrophobicContact CG2-CD2 4.22Å; V468-Y472 HydrophobicContact CG2-CE2 3.77Å; V468-Y472 VanDerWaalsContact O-CD2 3.31Å; V468-Y472 WeakPolarHBondContact O-CD2 3.34Å; V468-F532 HydrophobicContact CB-CE2 4.48Å; V468-F532 HydrophobicContact CB-CZ 4.12Å; V468-F532 HydrophobicContact CG1-CE2 4.33Å; V468-F532 HydrophobicContact CG1-CZ 4.02Å
469	T	98.1	Very high	95.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-44.8	-44.5	-176.8	-56.4	0	0	0	0	112.7	N438 I440 D467 R471 Y472 V479 R483	N438-T469 WeakPolarHBondContact O-CG2 3.42Å; I440-T469 PolarHBondContact N-OG1 2.88Å; I440-T469 PolarHBondContact O-N 2.98Å; D467-T469 WeakPolarHBondContact OD1-CB 3.48Å; D467-T469 PolarHBondContact OD1-N 3.35Å; D467-T469 PolarHBondContact OD1-OG1 3.16Å; T469-R471 VanDerWaalsContact C-N 3.26Å; T469-R471 PolarHBondContact O-N 2.66Å; T469-Y472 PolarHBondContact O-N 2.6Å; T469-V479 HydrophobicContact CG2-CG1 3.61Å; T469-R483 PolarHBondContact OG1-NH1 2.64Å
470	W	97.2	Very high	95.9	Very high	46 Å²	46	33 Å²	33	17%	0.174	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-67.9	-19.6	-175.1	-49.5	111.6	0	0	0	114.3	V468 Y472 T473 F476 V479 Q480 F532	V468-W470 PolarHBondContact O-N 2.82Å; W470-Y472 VanDerWaalsContact C-N 3.28Å; W470-T473 HydrophobicContact CE3-CG2 4.01Å; W470-F476 HydrophobicContact CB-CE1 4.34Å; W470-F476 HydrophobicContact CB-CZ 4.04Å; W470-F476 HydrophobicContact CE3-CB 4.46Å; W470-F476 AromaticContact CE3-CD1 3.84Å; W470-F476 HydrophobicContact CE3-CD1 3.84Å; W470-F476 HydrophobicContact CE3-CD2 4.01Å; W470-F476 AromaticContact CE3-CE1 3.98Å; W470-F476 HydrophobicContact CE3-CE1 3.98Å; W470-F476 HydrophobicContact CE3-CE2 4.16Å; W470-F476 AromaticContact CE3-CG 3.85Å; W470-F476 HydrophobicContact CE3-CG 3.85Å; W470-F476 HydrophobicContact CE3-CZ 4.14Å; W470-F476 HydrophobicContact CZ3-CB 4.1Å; W470-F476 HydrophobicContact CZ3-CD1 4.29Å; W470-F476 HydrophobicContact CZ3-CD2 4.3Å; W470-F476 AromaticContact CZ3-CG 3.99Å; W470-F476 HydrophobicContact CZ3-CG 3.99Å; W470-V479 HydrophobicContact CZ3-CB 4.47Å; W470-V479 HydrophobicContact CZ3-CG1 4.29Å; W470-Q480 HydrophobicContact CH2-CB 4.41Å; W470-F532 HydrophobicContact CB-CB 3.71Å; W470-F532 HydrophobicContact CB-CD1 4.35Å; W470-F532 HydrophobicContact CB-CG 3.96Å; W470-F532 HydrophobicContact CG-CB 4.24Å
471	R	96.2	Very high	96.1	Very high	34 Å²	34	35.7 Å²	35.7	13%	0.128	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-67.7	-31.2	170	-171.7	-176.6	-59.6	-65.1	-1.2	111.9	E400 P426 V468 T469 E528 F532	E400-R471 IonicContact OE1-NE 3.38Å; P426-R471 HydrophobicContact CB-CG 3.98Å; P426-R471 HydrophobicContact CG-CG 4.38Å; V468-R471 VanDerWaalsContact O-CB 3.26Å; V468-R471 WeakPolarHBondContact O-CB 3.29Å; V468-R471 PolarHBondContact O-N 3.48Å; T469-R471 VanDerWaalsContact C-N 3.26Å; T469-R471 PolarHBondContact O-N 2.66Å; R471-E528 IonicContact CZ-OE1 3.9Å; R471-E528 IonicContact NH2-OE1 2.7Å; R471-E528 PolarHBondContact NH2-OE1 3.24Å; R471-F532 HydrophobicContact CB-CD1 4.44Å; R471-F532 HydrophobicContact CB-CE1 3.76Å; R471-F532 HydrophobicContact CB-CZ 4.35Å; R471-F532 HydrophobicContact CG-CE1 4.49Å
472	Y	96.5	Very high	96.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-102.5	6.8	-169.1	-65.1	-92.8	0	0	0	113.4	W398 E400 H415 P426 Y429 I437 I440 V468 T469 W470	W398-Y472 AromaticContact CE2-CE1 3.63Å; W398-Y472 AromaticContact CE2-CZ 3.73Å; W398-Y472 HydrophobicContact CH2-CD1 4.37Å; W398-Y472 HydrophobicContact CH2-CE1 4.44Å; W398-Y472 AromaticContact CZ2-CD1 3.66Å; W398-Y472 HydrophobicContact CZ2-CD1 3.66Å; W398-Y472 HydrophobicContact CZ2-CD2 4.21Å; W398-Y472 AromaticContact CZ2-CE1 3.39Å; W398-Y472 HydrophobicContact CZ2-CE1 3.39Å; W398-Y472 AromaticContact CZ2-CE2 3.96Å; W398-Y472 HydrophobicContact CZ2-CE2 3.96Å; W398-Y472 HydrophobicContact CZ2-CG 4.12Å; W398-Y472 AromaticContact CZ2-CZ 3.57Å; W398-Y472 AromaticContact NE1-CE1 3.5Å; W398-Y472 AromaticContact NE1-CZ 3.33Å; W398-Y472 VanDerWaalsContact NE1-CZ 3.33Å; W398-Y472 PolarHBondContact NE1-OH 3.03Å; E400-Y472 WeakPolarHBondContact OE1-CE2 3.38Å; E400-Y472 PolarHBondContact OE1-OH 2.85Å; H415-Y472 HydrophobicContact CB-CE1 4.41Å; H415-Y472 AromaticContact CD2-CE1 3.61Å; P426-Y472 HydrophobicContact CB-CD1 3.81Å; P426-Y472 HydrophobicContact CB-CE1 3.73Å; P426-Y472 HydrophobicContact CB-CG 4.33Å; P426-Y472 WeakPolarHBondContact O-CD1 3.22Å; Y429-Y472 AromaticContact CD2-CD1 3.76Å; Y429-Y472 HydrophobicContact CD2-CD1 3.76Å; Y429-Y472 HydrophobicContact CD2-CE1 4.29Å; Y429-Y472 AromaticContact CE2-CD1 3.81Å; Y429-Y472 HydrophobicContact CE2-CD1 3.81Å; Y429-Y472 AromaticContact CE2-CE1 3.86Å; Y429-Y472 HydrophobicContact CE2-CE1 3.86Å; I437-Y472 VanDerWaalsContact CD1-O 3.26Å; I437-Y472 WeakPolarHBondContact CD1-O 3.37Å; I440-Y472 HydrophobicContact CD1-CD2 4.08Å; I440-Y472 HydrophobicContact CD1-CG 3.84Å; I440-Y472 HydrophobicContact CG2-CD2 4.2Å; I440-Y472 HydrophobicContact CG2-CE2 4.37Å; V468-Y472 HydrophobicContact CB-CE2 4.21Å; V468-Y472 HydrophobicContact CG2-CD2 4.22Å; V468-Y472 HydrophobicContact CG2-CE2 3.77Å; V468-Y472 VanDerWaalsContact O-CD2 3.31Å; V468-Y472 WeakPolarHBondContact O-CD2 3.34Å; T469-Y472 PolarHBondContact O-N 2.6Å; W470-Y472 VanDerWaalsContact C-N 3.28Å
473	T	95.4	Very high	96.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.182	C	C	.	.			trans	-132.9	144.8	178.7	-177.8	0	0	0	0	112.3	E430 W470 K475 F476 V479	E430-T473 VanDerWaalsContact CD-OG1 3.32Å; E430-T473 WeakPolarHBondContact OE1-CB 3.32Å; E430-T473 PolarHBondContact OE1-OG1 2.8Å; E430-T473 WeakPolarHBondContact OE2-CA 3.23Å; E430-T473 PolarHBondContact OE2-OG1 3.13Å; W470-T473 HydrophobicContact CE3-CG2 4.01Å; T473-K475 PolarHBondContact OG1-N 3.4Å; T473-F476 HydrophobicContact CG2-CD1 3.75Å; T473-F476 HydrophobicContact CG2-CE1 3.87Å; T473-F476 WeakPolarHBondContact O-CE1 3.44Å; T473-V479 HydrophobicContact CG2-CB 4.48Å; T473-V479 HydrophobicContact CG2-CG2 3.97Å; T473-V479 VanDerWaalsContact OG1-CG2 3.24Å; T473-V479 WeakPolarHBondContact OG1-CG2 3.35Å
474	Q	94.4	Very high	96.7	Very high	72 Å²	72	42.4 Å²	42.4	34%	0.336	22%	0.216	S	C	.	.	S	Bend	trans	-100.3	-14	162.2	-52.8	-169.5	-84	0	0	112	L427 E430 F476 S536 C538	L427-Q474 HydrophobicContact CD1-CG 3.54Å; L427-Q474 HydrophobicContact CD2-CG 3.82Å; L427-Q474 HydrophobicContact CG-CG 4.33Å; E430-Q474 PolarHBondContact OE2-N 3.4Å; Q474-F476 PolarHBondContact O-N 2.88Å; Q474-S536 WeakPolarHBondContact CG-O 3.45Å; Q474-S536 PolarHBondContact NE2-O 3.3Å; Q474-C538 VanDerWaalsContact NE2-N 3.11Å
475	K	94.1	Very high	96.6	Very high	83 Å²	83	45.3 Å²	45.3	36%	0.361	23%	0.23	S	C	.	.			trans	-105.3	61.1	-169.9	-59.3	173	173.7	-174.2	0	111.5	E430 T473 S477 E478 V479	E430-K475 HydrophobicContact CG-CD 4.41Å; T473-K475 PolarHBondContact OG1-N 3.4Å; K475-S477 VanDerWaalsContact C-N 3.33Å; K475-S477 PolarHBondContact O-N 3.09Å; K475-E478 HydrophobicContact CB-CB 4.11Å; K475-E478 HydrophobicContact CB-CG 4.23Å; K475-E478 WeakPolarHBondContact CD-OE1 3.42Å; K475-E478 PolarHBondContact O-N 3.21Å; K475-V479 PolarHBondContact O-N 3Å
476	F	95	Very high	96.5	Very high	46 Å²	46	45.6 Å²	45.6	20%	0.202	23%	0.231	C	C	.	.	H	α-helix	trans	-52.1	-48	-171.8	-79.7	23.6	0	0	0	113	W470 T473 Q474 E478 V479 Q480 F532 P535	W470-F476 HydrophobicContact CB-CE1 4.34Å; W470-F476 HydrophobicContact CB-CZ 4.04Å; W470-F476 HydrophobicContact CE3-CB 4.46Å; W470-F476 AromaticContact CE3-CD1 3.84Å; W470-F476 HydrophobicContact CE3-CD1 3.84Å; W470-F476 HydrophobicContact CE3-CD2 4.01Å; W470-F476 AromaticContact CE3-CE1 3.98Å; W470-F476 HydrophobicContact CE3-CE1 3.98Å; W470-F476 HydrophobicContact CE3-CE2 4.16Å; W470-F476 AromaticContact CE3-CG 3.85Å; W470-F476 HydrophobicContact CE3-CG 3.85Å; W470-F476 HydrophobicContact CE3-CZ 4.14Å; W470-F476 HydrophobicContact CZ3-CB 4.1Å; W470-F476 HydrophobicContact CZ3-CD1 4.29Å; W470-F476 HydrophobicContact CZ3-CD2 4.3Å; W470-F476 AromaticContact CZ3-CG 3.99Å; W470-F476 HydrophobicContact CZ3-CG 3.99Å; T473-F476 HydrophobicContact CG2-CD1 3.75Å; T473-F476 HydrophobicContact CG2-CE1 3.87Å; T473-F476 WeakPolarHBondContact O-CE1 3.44Å; Q474-F476 PolarHBondContact O-N 2.88Å; F476-E478 VanDerWaalsContact C-N 3.34Å; F476-E478 PolarHBondContact O-N 3.28Å; F476-V479 PolarHBondContact O-N 3.34Å; F476-Q480 VanDerWaalsContact O-CB 3.27Å; F476-Q480 WeakPolarHBondContact O-CB 3.47Å; F476-Q480 PolarHBondContact O-N 2.68Å; F476-F532 WeakPolarHBondContact CE2-O 3.49Å; F476-F532 WeakPolarHBondContact CZ-O 3.36Å; F476-P535 HydrophobicContact CD1-CB 4.37Å; F476-P535 HydrophobicContact CD1-CG 3.99Å; F476-P535 HydrophobicContact CD2-CG 4.31Å; F476-P535 HydrophobicContact CE1-CB 3.95Å; F476-P535 HydrophobicContact CE1-CG 3.82Å; F476-P535 HydrophobicContact CE2-CG 4.15Å; F476-P535 HydrophobicContact CG-CG 4.25Å; F476-P535 HydrophobicContact CZ-CB 4.29Å; F476-P535 HydrophobicContact CZ-CG 3.91Å
477	S	95.7	Very high	96.2	Very high	99 Å²	99	48.6 Å²	48.6	69%	0.692	24%	0.243	S	C	*	.	H	α-helix	trans	-62.9	-38.7	-179.4	-52.5	0	0	0	0	112.8	K475 S481	K475-S477 VanDerWaalsContact C-N 3.33Å; K475-S477 PolarHBondContact O-N 3.09Å; S477-S481 PolarHBondContact O-N 2.86Å; S477-S481 VanDerWaalsContact O-N 3.13Å
478	E	96.9	Very high	96	Very high	93 Å²	93	51 Å²	51	44%	0.435	25%	0.254	S	S	.	.	H	α-helix	trans	-69.3	-44.3	177.9	-63.5	-176.6	-142.7	0	0	111.2	K475 F476 S481 R482	K475-E478 HydrophobicContact CB-CB 4.11Å; K475-E478 HydrophobicContact CB-CG 4.23Å; K475-E478 WeakPolarHBondContact CD-OE1 3.42Å; K475-E478 PolarHBondContact O-N 3.21Å; F476-E478 VanDerWaalsContact C-N 3.34Å; F476-E478 PolarHBondContact O-N 3.28Å; E478-S481 PolarHBondContact O-N 3.46Å; E478-S481 PolarHBondContact O-OG 2.71Å; E478-R482 PolarHBondContact O-N 3.09Å; E478-R482 PolarHBondContact O-NH1 3.16Å; E478-R482 IonicContact OE2-NH1 3.16Å
479	V	97.3	Very high	95.6	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-61.7	-46	176	172.1	0	0	0	0	110.7	I437 T469 W470 T473 K475 F476 S481 R482 R483	I437-V479 HydrophobicContact CG1-CG2 4.05Å; T469-V479 HydrophobicContact CG2-CG1 3.61Å; W470-V479 HydrophobicContact CZ3-CB 4.47Å; W470-V479 HydrophobicContact CZ3-CG1 4.29Å; T473-V479 HydrophobicContact CG2-CB 4.48Å; T473-V479 HydrophobicContact CG2-CG2 3.97Å; T473-V479 VanDerWaalsContact OG1-CG2 3.24Å; T473-V479 WeakPolarHBondContact OG1-CG2 3.35Å; K475-V479 PolarHBondContact O-N 3Å; F476-V479 PolarHBondContact O-N 3.34Å; V479-S481 PolarHBondContact O-N 2.63Å; V479-R482 WeakPolarHBondContact O-CA 3.38Å; V479-R482 WeakPolarHBondContact O-CB 3.46Å; V479-R482 PolarHBondContact O-N 2.7Å; V479-R483 HydrophobicContact CG1-CG 4.34Å; V479-R483 WeakPolarHBondContact O-CG 3.25Å; V479-R483 PolarHBondContact O-N 3.01Å
480	Q	96	Very high	95.1	Very high	115 Å²	115	55 Å²	55	54%	0.537	28%	0.281	S	S	.	.	H	α-helix	trans	-57.1	-38.8	178.1	-170.6	176.9	7.2	0	0	111.8	W470 F476 R482 R483	W470-Q480 HydrophobicContact CH2-CB 4.41Å; F476-Q480 VanDerWaalsContact O-CB 3.27Å; F476-Q480 WeakPolarHBondContact O-CB 3.47Å; F476-Q480 PolarHBondContact O-N 2.68Å; Q480-R482 PolarHBondContact O-N 3.21Å; Q480-R483 PolarHBondContact O-N 2.79Å; Q480-R483 VanDerWaalsContact O-N 3.15Å
481	S	97.5	Very high	95	Very high	90 Å²	90	52.9 Å²	52.9	63%	0.629	27%	0.273	S	S	*	.	H	α-helix	trans	-64.5	-25	176.1	77.5	0	0	0	0	114.1	S477 E478 V479	S477-S481 PolarHBondContact O-N 2.86Å; S477-S481 VanDerWaalsContact O-N 3.13Å; E478-S481 PolarHBondContact O-N 3.46Å; E478-S481 PolarHBondContact O-OG 2.71Å; V479-S481 PolarHBondContact O-N 2.63Å
482	R	97.8	Very high	94.8	Very high	52 Å²	52	54 Å²	54	20%	0.196	29%	0.29	C	S	.	.	H	α-helix	trans	-88.3	-12.1	177.1	-63.5	-173.6	-66.7	-94.1	9.3	113.1	I437 N438 E478 V479 Q480 N484	I437-R482 PolarHBondContact O-NE 3.48Å; I437-R482 PolarHBondContact O-NH2 2.7Å; N438-R482 HydrophobicContact CB-CB 4.05Å; E478-R482 PolarHBondContact O-N 3.09Å; E478-R482 PolarHBondContact O-NH1 3.16Å; E478-R482 IonicContact OE2-NH1 3.16Å; V479-R482 WeakPolarHBondContact O-CA 3.38Å; V479-R482 WeakPolarHBondContact O-CB 3.46Å; V479-R482 PolarHBondContact O-N 2.7Å; Q480-R482 PolarHBondContact O-N 3.21Å; R482-N484 PolarHBondContact O-N 3.06Å; R482-N484 VanDerWaalsContact O-N 3.15Å
483	R	97.2	Very high	94.4	Very high	13 Å²	13	59 Å²	59	5%	0.049	31%	0.31	C	S	.	.			trans	-87.4	78.9	-179.5	-70.5	173.8	61.7	104	-5.2	111	N438 Y439 D467 T469 V479 Q480 E488	N438-R483 HydrophobicContact CB-CG 4.46Å; N438-R483 VanDerWaalsContact O-CD 3.24Å; N438-R483 WeakPolarHBondContact O-CD 3.47Å; N438-R483 WeakPolarHBondContact O-CG 3.36Å; N438-R483 PolarHBondContact O-NH1 2.93Å; Y439-R483 HydrophobicContact CD1-CG 4.35Å; Y439-R483 VanDerWaalsContact CD1-NH1 3.34Å; Y439-R483 HydrophobicContact CD2-CG 4.49Å; Y439-R483 HydrophobicContact CE1-CB 4.06Å; Y439-R483 HydrophobicContact CE1-CG 3.99Å; Y439-R483 HydrophobicContact CE2-CB 4.18Å; Y439-R483 HydrophobicContact CE2-CG 4.12Å; Y439-R483 VanDerWaalsContact OH-CA 3.28Å; Y439-R483 WeakPolarHBondContact OH-CA 3.28Å; Y439-R483 PolarHBondContact OH-O 2.94Å; D467-R483 IonicContact OD1-NH1 3.52Å; D467-R483 IonicContact OD2-CZ 3.05Å; D467-R483 IonicContact OD2-NH1 3.27Å; D467-R483 PolarHBondContact OD2-NH1 3.37Å; D467-R483 IonicContact OD2-NH2 3.84Å; D467-R483 PolarHBondContact OD2-NH2 3.47Å; T469-R483 PolarHBondContact OG1-NH1 2.64Å; V479-R483 HydrophobicContact CG1-CG 4.34Å; V479-R483 WeakPolarHBondContact O-CG 3.25Å; V479-R483 PolarHBondContact O-N 3.01Å; Q480-R483 PolarHBondContact O-N 2.79Å; Q480-R483 VanDerWaalsContact O-N 3.15Å; R483-E488 VanDerWaalsContact CB-OE1 3.31Å; R483-E488 WeakPolarHBondContact CB-OE1 3.35Å; R483-E488 IonicContact CZ-OE1 2.68Å; R483-E488 IonicContact CZ-OE2 2.66Å; R483-E488 IonicContact NE-OE1 2.71Å; R483-E488 PolarHBondContact NE-OE1 3.29Å; R483-E488 IonicContact NE-OE2 3.09Å; R483-E488 IonicContact NH2-OE1 2.63Å; R483-E488 PolarHBondContact NH2-OE1 3.39Å; R483-E488 IonicContact NH2-OE2 2.6Å; R483-E488 PolarHBondContact NH2-OE2 3.4Å
484	N	95.2	Very high	94.2	Very high	132 Å²	132	61.8 Å²	61.8	71%	0.706	32%	0.322	S	S	*	.			trans	-121.1	2.4	-175.1	61.4	14.8	0	0	0	114.8	Y439 R482	Y439-N484 PolarHBondContact OH-N 2.86Å; R482-N484 PolarHBondContact O-N 3.06Å; R482-N484 VanDerWaalsContact O-N 3.15Å
485	M	95.7	Very high	94.3	Very high	62 Å²	62	59 Å²	59	31%	0.305	31%	0.309	S	S	.	.	S	Bend	trans	-71.4	-29.9	176.8	-61.1	179.1	80.7	0	0	113.5	F227 Y439	F227-M485 HydrophobicContact CD2-CB 3.78Å; F227-M485 HydrophobicContact CD2-CE 3.75Å; F227-M485 HydrophobicContact CD2-CG 4.48Å; F227-M485 HydrophobicContact CD2-SD 3.93Å; F227-M485 HydrophobicContact CE2-CB 4.2Å; F227-M485 HydrophobicContact CE2-CE 4.33Å; F227-M485 HydrophobicContact CE2-SD 4Å; F227-M485 HydrophobicContact CG-CB 4.41Å; Y439-M485 HydrophobicContact CD2-SD 3.94Å; Y439-M485 HydrophobicContact CE2-CB 3.86Å; Y439-M485 HydrophobicContact CE2-CG 3.79Å; Y439-M485 HydrophobicContact CE2-SD 3.83Å; Y439-M485 PolarHBondContact OH-N 3.37Å; Y439-M485 VanDerWaalsContact OH-N 3.14Å
486	I	95.6	Very high	94.2	Very high	6 Å²	6	57 Å²	57	3%	0.031	31%	0.308	C	S	.	.	S	Bend	trans	-146.6	147.1	178.7	-173.6	164.5	0	0	0	110.5	L220 E224 F227 V228 Y439 E488 V490 L491	L220-I486 HydrophobicContact CD2-CD1 4.38Å; E224-I486 HydrophobicContact CB-CD1 4.4Å; E224-I486 HydrophobicContact CB-CG1 4.21Å; E224-I486 HydrophobicContact CG-CB 4.39Å; E224-I486 HydrophobicContact CG-CG1 4.11Å; F227-I486 HydrophobicContact CD1-CB 4.14Å; F227-I486 HydrophobicContact CD1-CD1 4.09Å; F227-I486 HydrophobicContact CD1-CG2 3.89Å; F227-I486 HydrophobicContact CE1-CG2 3.77Å; F227-I486 HydrophobicContact CG-CG2 4.47Å; F227-I486 HydrophobicContact CZ-CG2 4.23Å; V228-I486 HydrophobicContact CG2-CD1 3.86Å; Y439-I486 HydrophobicContact CE1-CG2 4.08Å; Y439-I486 PolarHBondContact OH-N 3.36Å; I486-E488 PolarHBondContact O-N 3.26Å; I486-V490 HydrophobicContact CD1-CB 4.44Å; I486-V490 HydrophobicContact CD1-CG1 4.15Å; I486-V490 HydrophobicContact CG1-CB 4.29Å; I486-V490 HydrophobicContact CG1-CG1 4.43Å; I486-L491 HydrophobicContact CD1-CB 4.2Å; I486-L491 HydrophobicContact CG1-CB 4.32Å; I486-L491 HydrophobicContact CG2-CB 3.87Å; I486-L491 HydrophobicContact CG2-CD1 4.4Å; I486-L491 HydrophobicContact CG2-CD2 3.94Å; I486-L491 HydrophobicContact CG2-CG 4.3Å
487	R	93.2	Very high	93.9	Very high	64 Å²	64	59.3 Å²	59.3	24%	0.242	32%	0.323	C	S	.	.			trans	-62.8	128.5	170.5	-72	170.5	-74.3	158.6	0.2	110.2	S217 E219 E224 S489 V490 L491	S217-R487 PolarHBondContact O-NH1 2.8Å; E219-R487 PolarHBondContact O-NH2 3.12Å; E224-R487 WeakPolarHBondContact OE1-CG 3.34Å; E224-R487 IonicContact OE1-CZ 3.82Å; E224-R487 PolarHBondContact OE1-N 3.36Å; E224-R487 IonicContact OE1-NE 3.65Å; E224-R487 PolarHBondContact OE1-NE 2.72Å; E224-R487 IonicContact OE1-NH2 3.51Å; E224-R487 IonicContact OE2-CZ 3.75Å; E224-R487 IonicContact OE2-NE 3.72Å; E224-R487 IonicContact OE2-NH2 3.78Å; E224-R487 PolarHBondContact OE2-NH2 3.38Å; R487-S489 PolarHBondContact O-N 3.12Å; R487-S489 VanDerWaalsContact O-N 3.15Å; R487-V490 HydrophobicContact CB-CB 4.3Å; R487-V490 HydrophobicContact CB-CG2 3.91Å; R487-V490 WeakPolarHBondContact O-CB 3.31Å; R487-V490 PolarHBondContact O-N 2.94Å; R487-L491 PolarHBondContact O-N 3.1Å
488	E	93.3	Very high	93.9	Very high	65 Å²	65	55.3 Å²	55.3	30%	0.304	29%	0.294	S	S	.	.	H	α-helix	trans	-54.1	-37.5	-178.5	-66.3	-61.2	153	0	0	113.3	R483 I486 V490 L491 A492	R483-E488 VanDerWaalsContact CB-OE1 3.31Å; R483-E488 WeakPolarHBondContact CB-OE1 3.35Å; R483-E488 IonicContact CZ-OE1 2.68Å; R483-E488 IonicContact CZ-OE2 2.66Å; R483-E488 IonicContact NE-OE1 2.71Å; R483-E488 PolarHBondContact NE-OE1 3.29Å; R483-E488 IonicContact NE-OE2 3.09Å; R483-E488 IonicContact NH2-OE1 2.63Å; R483-E488 PolarHBondContact NH2-OE1 3.39Å; R483-E488 IonicContact NH2-OE2 2.6Å; R483-E488 PolarHBondContact NH2-OE2 3.4Å; I486-E488 PolarHBondContact O-N 3.26Å; E488-V490 PolarHBondContact O-N 2.8Å; E488-L491 PolarHBondContact O-N 2.86Å; E488-A492 VanDerWaalsContact O-CB 3.29Å; E488-A492 WeakPolarHBondContact O-CB 3.32Å; E488-A492 PolarHBondContact O-N 3.13Å
489	S	88.7	Confident	93.8	Very high	82 Å²	82	51.3 Å²	51.3	57%	0.573	28%	0.275	S	S	*	.	H	α-helix	trans	-65	-37.9	176.9	55.5	0	0	0	0	113.1	R487 Y493	R487-S489 PolarHBondContact O-N 3.12Å; R487-S489 VanDerWaalsContact O-N 3.15Å; S489-Y493 WeakPolarHBondContact O-CB 3.37Å; S489-Y493 PolarHBondContact O-N 2.96Å; S489-Y493 VanDerWaalsContact O-N 3.1Å
490	V	89.4	Confident	93.4	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-72.5	-42.4	177.7	-178.2	0	0	0	0	109.9	L218 L220 I486 R487 E488 Y493 K494	L218-V490 HydrophobicContact CD2-CG2 4.36Å; L220-V490 HydrophobicContact CD2-CG1 3.61Å; I486-V490 HydrophobicContact CD1-CB 4.44Å; I486-V490 HydrophobicContact CD1-CG1 4.15Å; I486-V490 HydrophobicContact CG1-CB 4.29Å; I486-V490 HydrophobicContact CG1-CG1 4.43Å; R487-V490 HydrophobicContact CB-CB 4.3Å; R487-V490 HydrophobicContact CB-CG2 3.91Å; R487-V490 WeakPolarHBondContact O-CB 3.31Å; R487-V490 PolarHBondContact O-N 2.94Å; E488-V490 PolarHBondContact O-N 2.8Å; V490-Y493 PolarHBondContact O-N 3.41Å; V490-K494 HydrophobicContact CG1-CG 4.48Å; V490-K494 VanDerWaalsContact O-CG 3.31Å; V490-K494 WeakPolarHBondContact O-CG 2.97Å; V490-K494 PolarHBondContact O-N 3.42Å
491	L	94.5	Very high	93	Very high	2 Å²	2	50 Å²	50	1%	0.01	28%	0.278	C	S	.	.	H	α-helix	trans	-59.8	-50.1	175	178.5	58	0	0	0	111.3	F227 Y439 M441 I486 R487 E488 Y493 K494 L495	F227-L491 HydrophobicContact CE1-CD1 4.02Å; Y439-L491 HydrophobicContact CD1-CD2 4.29Å; Y439-L491 HydrophobicContact CE1-CD2 4.02Å; M441-L491 HydrophobicContact CE-CD1 4.14Å; M441-L491 HydrophobicContact CE-CD2 4.11Å; I486-L491 HydrophobicContact CD1-CB 4.2Å; I486-L491 HydrophobicContact CG1-CB 4.32Å; I486-L491 HydrophobicContact CG2-CB 3.87Å; I486-L491 HydrophobicContact CG2-CD1 4.4Å; I486-L491 HydrophobicContact CG2-CD2 3.94Å; I486-L491 HydrophobicContact CG2-CG 4.3Å; R487-L491 PolarHBondContact O-N 3.1Å; E488-L491 PolarHBondContact O-N 2.86Å; L491-Y493 VanDerWaalsContact C-N 3.31Å; L491-Y493 PolarHBondContact O-N 3.38Å; L491-K494 PolarHBondContact O-N 2.95Å; L491-K494 VanDerWaalsContact O-N 3.12Å; L491-L495 HydrophobicContact CD1-CD1 3.88Å; L491-L495 HydrophobicContact CD1-CD2 4.44Å; L491-L495 HydrophobicContact CD1-CG 3.96Å; L491-L495 HydrophobicContact CG-CD1 3.85Å; L491-L495 HydrophobicContact CG-CG 4.35Å; L491-L495 WeakPolarHBondContact O-CG 3.35Å; L491-L495 PolarHBondContact O-N 3.06Å
492	A	92.3	Very high	92.8	Very high	58 Å²	58	45.7 Å²	45.7	48%	0.479	25%	0.249	S	C	.	.	H	α-helix	trans	-57.5	-43.4	177.7	0	0	0	0	0	112.1	E488 L495 A496	E488-A492 VanDerWaalsContact O-CB 3.29Å; E488-A492 WeakPolarHBondContact O-CB 3.32Å; E488-A492 PolarHBondContact O-N 3.13Å; A492-L495 PolarHBondContact O-N 3.23Å; A492-A496 WeakPolarHBondContact O-CB 3.33Å; A492-A496 PolarHBondContact O-N 3.28Å
493	Y	87.9	Confident	92.5	Very high	106 Å²	106	43.9 Å²	43.9	42%	0.416	24%	0.243	S	C	.	.	H	α-helix	trans	-61.4	-45.1	175.1	178.3	-89.9	0	0	0	112.1	L218 S489 V490 L491 A496 D497	L218-Y493 HydrophobicContact CD1-CD1 3.94Å; L218-Y493 HydrophobicContact CD1-CD2 3.84Å; L218-Y493 HydrophobicContact CD1-CE1 3.86Å; L218-Y493 HydrophobicContact CD1-CE2 3.73Å; L218-Y493 HydrophobicContact CD1-CG 3.93Å; L218-Y493 HydrophobicContact CD2-CD1 3.85Å; L218-Y493 HydrophobicContact CD2-CD2 4.27Å; L218-Y493 HydrophobicContact CD2-CG 3.69Å; L218-Y493 HydrophobicContact CG-CD1 4.49Å; L218-Y493 HydrophobicContact CG-CG 4.49Å; S489-Y493 WeakPolarHBondContact O-CB 3.37Å; S489-Y493 PolarHBondContact O-N 2.96Å; S489-Y493 VanDerWaalsContact O-N 3.1Å; V490-Y493 PolarHBondContact O-N 3.41Å; L491-Y493 VanDerWaalsContact C-N 3.31Å; L491-Y493 PolarHBondContact O-N 3.38Å; Y493-A496 PolarHBondContact O-N 3.19Å; Y493-D497 PolarHBondContact O-N 3.01Å
494	K	91.2	Very high	92	Very high	57 Å²	57	50.4 Å²	50.4	25%	0.248	27%	0.272	C	S	.	.	H	α-helix	trans	-66.1	-40.1	179.5	-71.1	-67.1	177.8	-176.7	0	112.5	V490 L491 D497 I498	V490-K494 HydrophobicContact CG1-CG 4.48Å; V490-K494 VanDerWaalsContact O-CG 3.31Å; V490-K494 WeakPolarHBondContact O-CG 2.97Å; V490-K494 PolarHBondContact O-N 3.42Å; L491-K494 PolarHBondContact O-N 2.95Å; L491-K494 VanDerWaalsContact O-N 3.12Å; K494-D497 PolarHBondContact O-N 3.29Å; K494-I498 WeakPolarHBondContact O-CB 3.49Å; K494-I498 WeakPolarHBondContact O-CD1 3.36Å; K494-I498 VanDerWaalsContact O-CG1 3.29Å; K494-I498 WeakPolarHBondContact O-CG1 3.47Å; K494-I498 PolarHBondContact O-N 3.28Å
495	L	96.1	Very high	91.6	Very high	13 Å²	13	45.1 Å²	45.1	7%	0.068	24%	0.244	C	C	.	.	H	α-helix	trans	-65.4	-42.4	174.8	-66.4	170.9	0	0	0	111	L231 I465 D467 L491 A492 D497 I498 H499	L231-L495 HydrophobicContact CD2-CD2 4.41Å; I465-L495 HydrophobicContact CB-CD2 4.36Å; I465-L495 HydrophobicContact CG2-CD2 4.08Å; I465-L495 WeakPolarHBondContact O-CD2 3.22Å; D467-L495 HydrophobicContact CB-CD1 3.67Å; L491-L495 HydrophobicContact CD1-CD1 3.88Å; L491-L495 HydrophobicContact CD1-CD2 4.44Å; L491-L495 HydrophobicContact CD1-CG 3.96Å; L491-L495 HydrophobicContact CG-CD1 3.85Å; L491-L495 HydrophobicContact CG-CG 4.35Å; L491-L495 WeakPolarHBondContact O-CG 3.35Å; L491-L495 PolarHBondContact O-N 3.06Å; A492-L495 PolarHBondContact O-N 3.23Å; L495-D497 VanDerWaalsContact C-N 3.33Å; L495-D497 PolarHBondContact O-N 2.6Å; L495-I498 HydrophobicContact CD2-CD1 4.44Å; L495-I498 CarbonylContact O-C 3.44Å; L495-I498 WeakPolarHBondContact O-CA 3.29Å; L495-I498 WeakPolarHBondContact O-CB 3.28Å; L495-I498 PolarHBondContact O-N 3.19Å; L495-I498 VanDerWaalsContact O-N 3.12Å; L495-H499 PolarHBondContact O-CD2 3.37Å; L495-H499 PolarHBondContact O-N 2.71Å
496	A	91.6	Very high	91.3	Very high	43 Å²	43	42.6 Å²	42.6	36%	0.355	23%	0.231	S	C	.	.	H	α-helix	trans	-60.2	-40.5	174.9	0	0	0	0	0	113.1	A492 Y493 H499 T500	A492-A496 WeakPolarHBondContact O-CB 3.33Å; A492-A496 PolarHBondContact O-N 3.28Å; Y493-A496 PolarHBondContact O-N 3.19Å; A496-H499 PolarHBondContact O-N 3.14Å; A496-T500 WeakPolarHBondContact O-CB 3.39Å; A496-T500 PolarHBondContact O-N 2.68Å; A496-T500 PolarHBondContact O-OG1 3.12Å
497	D	88.6	Confident	90.5	Very high	94 Å²	94	44.7 Å²	44.7	50%	0.503	25%	0.246	S	C	.	.	H	α-helix	trans	-63.8	-42	173.4	-173.2	49.8	0	0	0	111.5	Y493 K494 L495 T500 G501	Y493-D497 PolarHBondContact O-N 3.01Å; K494-D497 PolarHBondContact O-N 3.29Å; L495-D497 VanDerWaalsContact C-N 3.33Å; L495-D497 PolarHBondContact O-N 2.6Å; D497-T500 PolarHBondContact O-N 2.81Å; D497-G501 PolarHBondContact O-N 3.17Å
498	I	95.3	Very high	89.5	Confident	15 Å²	15	46.1 Å²	46.1	8%	0.077	26%	0.258	C	S	.	.	H	α-helix	trans	-59.6	-51.6	173.3	-76.8	160.6	0	0	0	111.6	L231 L232 D464 I465 K494 L495 T500 G501 A502	L231-I498 HydrophobicContact CD2-CD1 4.38Å; L232-I498 HydrophobicContact CD2-CD1 4.19Å; D464-I498 WeakPolarHBondContact OD1-CG2 3.35Å; I465-I498 HydrophobicContact CB-CG2 3.92Å; I465-I498 HydrophobicContact CD1-CD1 4.02Å; I465-I498 HydrophobicContact CD1-CG2 4.48Å; I465-I498 HydrophobicContact CG1-CG2 4.21Å; K494-I498 WeakPolarHBondContact O-CB 3.49Å; K494-I498 WeakPolarHBondContact O-CD1 3.36Å; K494-I498 VanDerWaalsContact O-CG1 3.29Å; K494-I498 WeakPolarHBondContact O-CG1 3.47Å; K494-I498 PolarHBondContact O-N 3.28Å; L495-I498 HydrophobicContact CD2-CD1 4.44Å; L495-I498 CarbonylContact O-C 3.44Å; L495-I498 WeakPolarHBondContact O-CA 3.29Å; L495-I498 WeakPolarHBondContact O-CB 3.28Å; L495-I498 PolarHBondContact O-N 3.19Å; L495-I498 VanDerWaalsContact O-N 3.12Å; I498-T500 VanDerWaalsContact C-N 3.29Å; I498-T500 PolarHBondContact O-N 3.03Å; I498-G501 PolarHBondContact O-N 3.02Å; I498-G501 VanDerWaalsContact O-N 3.16Å; I498-A502 PolarHBondContact O-N 2.94Å
499	H	95.4	Very high	88	Confident	8 Å²	8	47.3 Å²	47.3	4%	0.037	27%	0.266	C	S	.	.	H	α-helix	trans	-56.8	-44.6	177.3	-62.2	-40.1	0	0	0	111.1	D464 I465 Q466 L495 A496 G501 A502 V503 W522 I525	D464-H499 VanDerWaalsContact CG-ND1 3.3Å; D464-H499 WeakPolarHBondContact OD1-CA 3.19Å; D464-H499 IonicContact OD1-CE1 3.75Å; D464-H499 IonicContact OD1-CG 3.67Å; D464-H499 IonicContact OD1-ND1 3.4Å; D464-H499 PolarHBondContact OD1-ND1 3.28Å; D464-H499 IonicContact OD2-CE1 2.7Å; D464-H499 IonicContact OD2-ND1 2.71Å; D464-H499 PolarHBondContact OD2-ND1 3.35Å; I465-H499 PolarHBondContact O-CE1 2.99Å; Q466-H499 PolarHBondContact OE1-CE1 2.86Å; Q466-H499 PolarHBondContact OE1-NE2 2.93Å; Q466-H499 VanDerWaalsContact OE1-NE2 3.13Å; L495-H499 PolarHBondContact O-CD2 3.37Å; L495-H499 PolarHBondContact O-N 2.71Å; A496-H499 PolarHBondContact O-N 3.14Å; H499-G501 VanDerWaalsContact C-N 3.35Å; H499-G501 PolarHBondContact O-N 3.02Å; H499-A502 PolarHBondContact O-N 3.43Å; H499-V503 WeakPolarHBondContact O-CB 3.25Å; H499-V503 WeakPolarHBondContact O-CG2 3.46Å; H499-V503 PolarHBondContact O-N 3.22Å; H499-W522 HydrophobicContact CB-CH2 3.67Å; H499-W522 HydrophobicContact CB-CZ2 4.38Å; H499-W522 HydrophobicContact CB-CZ3 3.96Å; H499-I525 HydrophobicContact CB-CD1 4.16Å
500	T	88.7	Confident	86.4	Confident	69 Å²	69	46.6 Å²	46.6	42%	0.423	26%	0.256	S	S	.	.	H	α-helix	trans	-60	-46.1	177.8	-57.8	0	0	0	0	111.2	A496 D497 I498 K504 W522	A496-T500 WeakPolarHBondContact O-CB 3.39Å; A496-T500 PolarHBondContact O-N 2.68Å; A496-T500 PolarHBondContact O-OG1 3.12Å; D497-T500 PolarHBondContact O-N 2.81Å; I498-T500 VanDerWaalsContact C-N 3.29Å; I498-T500 PolarHBondContact O-N 3.03Å; T500-K504 WeakPolarHBondContact O-CB 3.4Å; T500-K504 PolarHBondContact O-N 3.26Å; T500-K504 VanDerWaalsContact O-N 3.09Å; T500-W522 WeakPolarHBondContact OG1-CZ2 3.43Å
501	G	88.2	Confident	84.8	Confident	19 Å²	19	51.9 Å²	51.9	20%	0.196	28%	0.284	C	S	.	.	H	α-helix	trans	-60.2	-46.5	175.3	0	0	0	0	0	112.4	D497 I498 H499 N505	D497-G501 PolarHBondContact O-N 3.17Å; I498-G501 PolarHBondContact O-N 3.02Å; I498-G501 VanDerWaalsContact O-N 3.16Å; H499-G501 VanDerWaalsContact C-N 3.35Å; H499-G501 PolarHBondContact O-N 3.02Å; G501-N505 PolarHBondContact O-N 3.41Å; G501-N505 PolarHBondContact O-ND2 3.45Å
502	A	93.4	Very high	82.5	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-66.4	-53.1	-178.4	0	0	0	0	0	112.1	D464 I498 H499 K504 N505 W506	D464-A502 HydrophobicContact CB-CB 3.64Å; I498-A502 PolarHBondContact O-N 2.94Å; H499-A502 PolarHBondContact O-N 3.43Å; A502-K504 VanDerWaalsContact C-N 3.29Å; A502-K504 PolarHBondContact O-N 3.16Å; A502-N505 CarbonylContact O-C 3.45Å; A502-N505 WeakPolarHBondContact O-CA 3.31Å; A502-N505 PolarHBondContact O-N 2.76Å; A502-W506 HydrophobicContact CB-CD2 4.47Å; A502-W506 HydrophobicContact CB-CH2 4.06Å; A502-W506 HydrophobicContact CB-CZ2 3.71Å; A502-W506 PolarHBondContact O-N 2.98Å
503	V	90.9	Very high	80.3	Confident	13 Å²	13	58 Å²	58	8%	0.079	33%	0.327	C	S	.	.	H	α-helix	trans	-59	-39.9	179.8	174.3	0	0	0	0	111.8	H499 N505 W506 S507 I525	H499-V503 WeakPolarHBondContact O-CB 3.25Å; H499-V503 WeakPolarHBondContact O-CG2 3.46Å; H499-V503 PolarHBondContact O-N 3.22Å; V503-N505 VanDerWaalsContact C-N 3.33Å; V503-N505 PolarHBondContact O-N 3.37Å; V503-W506 HydrophobicContact CB-CE3 4.31Å; V503-W506 HydrophobicContact CG2-CE3 3.85Å; V503-W506 HydrophobicContact CG2-CZ3 3.76Å; V503-W506 PolarHBondContact O-N 3.38Å; V503-S507 WeakPolarHBondContact O-CB 3.42Å; V503-S507 PolarHBondContact O-N 2.87Å; V503-S507 VanDerWaalsContact O-N 3.08Å; V503-S507 PolarHBondContact O-OG 2.88Å; V503-I525 HydrophobicContact CG2-CD1 3.74Å
504	K	86.5	Confident	78.6	Confident	150 Å²	150	58.1 Å²	58.1	65%	0.652	33%	0.334	S	S	*	.	H	α-helix	trans	-59.3	-44.3	174.2	180	-178.2	176.2	-176	0	111.5	T500 A502 S507	T500-K504 WeakPolarHBondContact O-CB 3.4Å; T500-K504 PolarHBondContact O-N 3.26Å; T500-K504 VanDerWaalsContact O-N 3.09Å; A502-K504 VanDerWaalsContact C-N 3.29Å; A502-K504 PolarHBondContact O-N 3.16Å; K504-S507 PolarHBondContact O-N 3.3Å
505	N	87.2	Confident	76.3	Confident	22 Å²	22	62 Å²	62	12%	0.118	36%	0.356	C	S	.	.	H	α-helix	trans	-72.3	-33.3	179.8	-79.1	-74.9	0	0	0	112.6	T458 V461 A462 G501 A502 V503 S507 L508	T458-N505 VanDerWaalsContact CG2-OD1 3.23Å; T458-N505 WeakPolarHBondContact CG2-OD1 3.42Å; V461-N505 WeakPolarHBondContact CG1-ND2 3.45Å; A462-N505 HydrophobicContact CB-CB 3.96Å; G501-N505 PolarHBondContact O-N 3.41Å; G501-N505 PolarHBondContact O-ND2 3.45Å; A502-N505 CarbonylContact O-C 3.45Å; A502-N505 WeakPolarHBondContact O-CA 3.31Å; A502-N505 PolarHBondContact O-N 2.76Å; V503-N505 VanDerWaalsContact C-N 3.33Å; V503-N505 PolarHBondContact O-N 3.37Å; N505-S507 PolarHBondContact O-N 2.85Å; N505-L508 HydrophobicContact CB-CD1 4.34Å; N505-L508 PolarHBondContact O-N 3.18Å; N505-L508 WeakPolarHBondContact OD1-CD1 3.38Å
506	W	88.8	Confident	74.2	Confident	8 Å²	8	68.5 Å²	68.5	3%	0.03	39%	0.391	C	S	.	.	H	α-helix	trans	-63.7	-32.1	173.4	-57.9	-21.6	0	0	0	112.3	T444 P447 A462 D464 A502 V503 L508 Y520 I525	T444-W506 HydrophobicContact CG2-CZ2 4.39Å; P447-W506 HydrophobicContact CG-CB 4.33Å; P447-W506 HydrophobicContact CG-CG 4.16Å; A462-W506 PolarHBondContact O-NE1 2.98Å; D464-W506 HydrophobicContact CB-CH2 3.46Å; D464-W506 VanDerWaalsContact CB-CH2 3.46Å; D464-W506 HydrophobicContact CB-CZ2 3.48Å; D464-W506 VanDerWaalsContact CB-CZ2 3.48Å; A502-W506 HydrophobicContact CB-CD2 4.47Å; A502-W506 HydrophobicContact CB-CH2 4.06Å; A502-W506 HydrophobicContact CB-CZ2 3.71Å; A502-W506 PolarHBondContact O-N 2.98Å; V503-W506 HydrophobicContact CB-CE3 4.31Å; V503-W506 HydrophobicContact CG2-CE3 3.85Å; V503-W506 HydrophobicContact CG2-CZ3 3.76Å; V503-W506 PolarHBondContact O-N 3.38Å; W506-L508 PolarHBondContact O-N 3.49Å; W506-Y520 AromaticContact CD2-CD1 3.88Å; W506-Y520 HydrophobicContact CD2-CD1 3.88Å; W506-Y520 HydrophobicContact CD2-CG 4.43Å; W506-Y520 AromaticContact CE2-CD1 3.89Å; W506-Y520 VanDerWaalsContact CE3-CA 3.49Å; W506-Y520 HydrophobicContact CE3-CD1 4.02Å; W506-Y520 HydrophobicContact CE3-CG 4.37Å; W506-Y520 HydrophobicContact CG-CD1 4.45Å; W506-Y520 HydrophobicContact CH2-CD1 4.18Å; W506-Y520 HydrophobicContact CZ2-CD1 4.03Å; W506-Y520 HydrophobicContact CZ3-CD1 4.18Å; W506-I525 HydrophobicContact CZ3-CD1 4.39Å
507	S	79.9	Confident	73.4	Confident	51 Å²	51	68.5 Å²	68.5	36%	0.357	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-4.3	-177.4	-55.7	0	0	0	0	115.1	V503 K504 N505 N509 N510	V503-S507 WeakPolarHBondContact O-CB 3.42Å; V503-S507 PolarHBondContact O-N 2.87Å; V503-S507 VanDerWaalsContact O-N 3.08Å; V503-S507 PolarHBondContact O-OG 2.88Å; K504-S507 PolarHBondContact O-N 3.3Å; N505-S507 PolarHBondContact O-N 2.85Å; S507-N509 PolarHBondContact O-N 2.76Å; S507-N510 PolarHBondContact O-N 3.19Å
508	L	72.4	Confident	73.3	Confident	93 Å²	93	68.8 Å²	68.8	49%	0.487	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-10.7	-170.4	-78.8	170.8	0	0	0	115.3	L454 N505 W506	L454-L508 HydrophobicContact CD2-CD1 4.35Å; N505-L508 HydrophobicContact CB-CD1 4.34Å; N505-L508 PolarHBondContact O-N 3.18Å; N505-L508 WeakPolarHBondContact OD1-CD1 3.38Å; W506-L508 PolarHBondContact O-N 3.49Å
509	N	61.5	Low	73.2	Confident	90 Å²	90	68.4 Å²	68.4	48%	0.481	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.2	22	-178.5	-74	-56.5	0	0	0	115	K453 S507 N511	K453-N509 VanDerWaalsContact CD-ND2 3.31Å; K453-N509 WeakPolarHBondContact CD-ND2 3.46Å; K453-N509 PolarHBondContact NZ-ND2 3.15Å; S507-N509 PolarHBondContact O-N 2.76Å; N509-N511 PolarHBondContact O-N 2.98Å; N509-N511 VanDerWaalsContact O-N 3.16Å
510	N	55.8	Low	73	Confident	67 Å²	67	69 Å²	69	36%	0.358	38%	0.382	S	S	.	.			trans	-72.3	114.6	-177	-68.8	-18	0	0	0	111.8	S507 Q517	S507-N510 PolarHBondContact O-N 3.19Å; N510-Q517 PolarHBondContact ND2-NE2 3.23Å; N510-Q517 PolarHBondContact ND2-OE1 3.28Å; N510-Q517 PolarHBondContact OD1-NE2 2.73Å
511	N	53.8	Low	73.1	Confident	112 Å²	112	67 Å²	67	60%	0.599	37%	0.37	S	S	*	.			trans	-66.8	137.5	150.1	-147.3	-2.4	0	0	0	106.4	N509 A513 D514	N509-N511 PolarHBondContact O-N 2.98Å; N509-N511 VanDerWaalsContact O-N 3.16Å; N511-A513 PolarHBondContact O-N 2.66Å; N511-D514 PolarHBondContact O-N 2.89Å
512	P	46.4	Very low	73.2	Confident	102 Å²	102	70.9 Å²	70.9	66%	0.662	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-1.2	178.5	-23	32.5	0	0	0	114.9	I515	P512-I515 WeakPolarHBondContact O-CD1 3.46Å; P512-I515 WeakPolarHBondContact O-CG1 3.46Å
513	A	47.2	Very low	73	Confident	87 Å²	87	76.1 Å²	76.1	72%	0.719	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-19.6	175	0	0	0	0	0	113.7	N511 I515	N511-A513 PolarHBondContact O-N 2.66Å; A513-I515 PolarHBondContact O-N 3.25Å; A513-I515 VanDerWaalsContact O-N 3.07Å
514	D	51.7	Low	73.1	Confident	107 Å²	107	75.7 Å²	75.7	57%	0.572	40%	0.404	S	S	*	.			trans	-84.3	36.8	179	-78.3	-30.6	0	0	0	112.2	N511 D516 Q517	N511-D514 PolarHBondContact O-N 2.89Å; D514-D516 VanDerWaalsContact C-N 3.27Å; D514-D516 PolarHBondContact O-N 3.15Å; D514-Q517 WeakPolarHBondContact O-CG 3.34Å; D514-Q517 PolarHBondContact O-NE2 2.9Å
515	I	44.2	Very low	73.5	Confident	138 Å²	138	68.8 Å²	68.8	71%	0.708	37%	0.374	S	S	*	.			trans	-67.1	-18.1	-169.7	-79.6	169.3	0	0	0	114	P512 A513 Q517	P512-I515 WeakPolarHBondContact O-CD1 3.46Å; P512-I515 WeakPolarHBondContact O-CG1 3.46Å; A513-I515 PolarHBondContact O-N 3.25Å; A513-I515 VanDerWaalsContact O-N 3.07Å; I515-Q517 PolarHBondContact O-N 2.83Å
516	D	50.7	Low	73.8	Confident	151 Å²	151	71.7 Å²	71.7	81%	0.807	39%	0.389	S	S	*	.			trans	-85.2	55.1	179.8	-149.2	9.5	0	0	0	112.6	D514 K518	D514-D516 VanDerWaalsContact C-N 3.27Å; D514-D516 PolarHBondContact O-N 3.15Å; D516-K518 VanDerWaalsContact C-N 3.26Å; D516-K518 PolarHBondContact O-N 2.99Å
517	Q	75.5	Confident	73.9	Confident	42 Å²	42	75.9 Å²	75.9	20%	0.196	41%	0.412	C	S	.	.			trans	-78	8.4	-172.4	-99.1	163.7	57.4	0	0	115.6	N510 D514 I515 Y520	N510-Q517 PolarHBondContact ND2-NE2 3.23Å; N510-Q517 PolarHBondContact ND2-OE1 3.28Å; N510-Q517 PolarHBondContact OD1-NE2 2.73Å; D514-Q517 WeakPolarHBondContact O-CG 3.34Å; D514-Q517 PolarHBondContact O-NE2 2.9Å; I515-Q517 PolarHBondContact O-N 2.83Å; Q517-Y520 VanDerWaalsContact O-CA 3.28Å; Q517-Y520 WeakPolarHBondContact O-CA 3.48Å; Q517-Y520 VanDerWaalsContact O-CB 3.27Å; Q517-Y520 WeakPolarHBondContact O-CB 3.39Å; Q517-Y520 PolarHBondContact O-N 3.11Å
518	K	86.3	Confident	74.7	Confident	100 Å²	100	73.9 Å²	73.9	44%	0.435	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	133	-178.2	-64	-169.8	176.3	-171.1	0	110.8	W402 D516 S524	W402-K518 HydrophobicContact CZ2-CB 4.2Å; D516-K518 VanDerWaalsContact C-N 3.26Å; D516-K518 PolarHBondContact O-N 2.99Å; K518-S524 WeakPolarHBondContact CG-OG 3.46Å
519	P	92.3	Very high	75.7	Confident	7 Å²	7	73.1 Å²	73.1	5%	0.045	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	cis	-94.3	9.6	7.5	35.8	-32.8	0	0	0	115.6	A386 W402 W413 C521 S524	A386-P519 HydrophobicContact CB-CG 3.44Å; A386-P519 VanDerWaalsContact CB-CG 3.44Å; W402-P519 HydrophobicContact CB-CG 4.29Å; W402-P519 HydrophobicContact CD2-CB 3.79Å; W402-P519 HydrophobicContact CD2-CG 3.88Å; W402-P519 HydrophobicContact CE3-CB 3.92Å; W402-P519 HydrophobicContact CE3-CG 4.26Å; W402-P519 HydrophobicContact CG-CB 4.33Å; W402-P519 HydrophobicContact CG-CG 3.89Å; W402-P519 HydrophobicContact CH2-CB 4.18Å; W402-P519 HydrophobicContact CZ2-CB 4.04Å; W402-P519 HydrophobicContact CZ3-CB 4.11Å; W413-P519 HydrophobicContact CH2-CG 3.76Å; W413-P519 HydrophobicContact CZ2-CB 3.71Å; W413-P519 HydrophobicContact CZ2-CG 3.36Å; P519-C521 PolarHBondContact O-N 2.79Å; P519-S524 WeakPolarHBondContact O-CB 3.48Å
520	Y	92.7	Very high	77.3	Confident	22 Å²	22	72.6 Å²	72.6	9%	0.086	39%	0.393	C	S	.	.	S	Bend	trans	-80.2	43.7	-174.1	-53.9	-70	0	0	0	114.5	D385 A386 T444 V445 P447 W506 Q517	D385-Y520 PolarHBondContact O-OH 3.15Å; A386-Y520 HydrophobicContact CB-CE1 4.46Å; A386-Y520 HydrophobicContact CB-CE2 4.07Å; A386-Y520 WeakPolarHBondContact CB-OH 3.37Å; T444-Y520 HydrophobicContact CG2-CE1 4.02Å; V445-Y520 VanDerWaalsContact O-CE1 3.31Å; V445-Y520 WeakPolarHBondContact O-CE1 3.47Å; V445-Y520 PolarHBondContact O-OH 2.75Å; P447-Y520 HydrophobicContact CB-CD2 4.4Å; P447-Y520 HydrophobicContact CB-CE2 4.23Å; P447-Y520 HydrophobicContact CG-CD1 3.69Å; P447-Y520 HydrophobicContact CG-CD2 3.76Å; P447-Y520 HydrophobicContact CG-CE1 3.85Å; P447-Y520 HydrophobicContact CG-CE2 3.92Å; P447-Y520 HydrophobicContact CG-CG 3.62Å; W506-Y520 AromaticContact CD2-CD1 3.88Å; W506-Y520 HydrophobicContact CD2-CD1 3.88Å; W506-Y520 HydrophobicContact CD2-CG 4.43Å; W506-Y520 AromaticContact CE2-CD1 3.89Å; W506-Y520 VanDerWaalsContact CE3-CA 3.49Å; W506-Y520 HydrophobicContact CE3-CD1 4.02Å; W506-Y520 HydrophobicContact CE3-CG 4.37Å; W506-Y520 HydrophobicContact CG-CD1 4.45Å; W506-Y520 HydrophobicContact CH2-CD1 4.18Å; W506-Y520 HydrophobicContact CZ2-CD1 4.03Å; W506-Y520 HydrophobicContact CZ3-CD1 4.18Å; Q517-Y520 VanDerWaalsContact O-CA 3.28Å; Q517-Y520 WeakPolarHBondContact O-CA 3.48Å; Q517-Y520 VanDerWaalsContact O-CB 3.27Å; Q517-Y520 WeakPolarHBondContact O-CB 3.39Å; Q517-Y520 PolarHBondContact O-N 3.11Å
521	C	89.9	Confident	79	Confident	26 Å²	26	72.2 Å²	72.2	18%	0.176	40%	0.395	C	S	.	.	S	Bend	trans	-147	162.8	179.1	65.8	0	0	0	0	112.2	P519 D523 S524 I525	P519-C521 PolarHBondContact O-N 2.79Å; C521-D523 VanDerWaalsContact C-N 3.27Å; C521-D523 PolarHBondContact O-N 3.48Å; C521-S524 PolarHBondContact O-N 3.02Å; C521-I525 PolarHBondContact O-N 2.77Å
522	W	89.7	Confident	81	Confident	101 Å²	101	67.5 Å²	67.5	38%	0.383	37%	0.37	S	S	.	.	H	α-helix	trans	-58.7	-37.9	177.4	-84.6	113.2	0	0	0	112.9	H499 T500 S524 I525 I526	H499-W522 HydrophobicContact CB-CH2 3.67Å; H499-W522 HydrophobicContact CB-CZ2 4.38Å; H499-W522 HydrophobicContact CB-CZ3 3.96Å; T500-W522 WeakPolarHBondContact OG1-CZ2 3.43Å; W522-S524 VanDerWaalsContact C-N 3.31Å; W522-S524 PolarHBondContact O-N 3.1Å; W522-I525 PolarHBondContact O-N 3.08Å; W522-I526 HydrophobicContact CB-CD1 4.39Å; W522-I526 WeakPolarHBondContact O-CB 3.43Å; W522-I526 VanDerWaalsContact O-CG1 3.25Å; W522-I526 WeakPolarHBondContact O-CG1 3.45Å; W522-I526 PolarHBondContact O-N 3.38Å
523	D	89.8	Confident	83.1	Confident	109 Å²	109	68.5 Å²	68.5	58%	0.583	37%	0.369	S	S	*	.	H	α-helix	trans	-58.3	-44.3	179.6	-65.8	-19.9	0	0	0	111.3	C521 I526 D527	C521-D523 VanDerWaalsContact C-N 3.27Å; C521-D523 PolarHBondContact O-N 3.48Å; D523-I526 PolarHBondContact O-N 2.7Å; D523-D527 VanDerWaalsContact O-CB 3.28Å; D523-D527 WeakPolarHBondContact O-CB 3.31Å; D523-D527 VanDerWaalsContact O-CG 3.22Å; D523-D527 PolarHBondContact O-N 3.46Å
524	S	92.4	Very high	85.1	Confident	5 Å²	5	70.7 Å²	70.7	4%	0.035	36%	0.364	C	S	.	.	H	α-helix	trans	-66.9	-38.7	177.6	-77.7	0	0	0	0	113.4	K518 P519 C521 W522 E528	K518-S524 WeakPolarHBondContact CG-OG 3.46Å; P519-S524 WeakPolarHBondContact O-CB 3.48Å; C521-S524 PolarHBondContact O-N 3.02Å; W522-S524 VanDerWaalsContact C-N 3.31Å; W522-S524 PolarHBondContact O-N 3.1Å; S524-E528 WeakPolarHBondContact O-CB 3.4Å; S524-E528 PolarHBondContact O-N 2.89Å; S524-E528 VanDerWaalsContact O-N 3.09Å
525	I	94.6	Very high	86.8	Confident	4 Å²	4	68.7 Å²	68.7	2%	0.021	36%	0.357	C	S	.	.	H	α-helix	trans	-65.8	-44.3	176.3	-64.3	171.6	0	0	0	110.1	H499 V503 W506 C521 W522 E528 L529	H499-I525 HydrophobicContact CB-CD1 4.16Å; V503-I525 HydrophobicContact CG2-CD1 3.74Å; W506-I525 HydrophobicContact CZ3-CD1 4.39Å; C521-I525 PolarHBondContact O-N 2.77Å; W522-I525 PolarHBondContact O-N 3.08Å; I525-E528 PolarHBondContact O-N 3.3Å; I525-L529 HydrophobicContact CG2-CD1 4.08Å; I525-L529 WeakPolarHBondContact O-CG 3.29Å; I525-L529 PolarHBondContact O-N 2.99Å
526	I	93.3	Very high	88.5	Confident	83 Å²	83	64.2 Å²	64.2	43%	0.426	34%	0.338	S	S	.	.	H	α-helix	trans	-67	-46.6	179.8	-67.8	166.7	0	0	0	110.5	W522 D523 E528 L529 V530	W522-I526 HydrophobicContact CB-CD1 4.39Å; W522-I526 WeakPolarHBondContact O-CB 3.43Å; W522-I526 VanDerWaalsContact O-CG1 3.25Å; W522-I526 WeakPolarHBondContact O-CG1 3.45Å; W522-I526 PolarHBondContact O-N 3.38Å; D523-I526 PolarHBondContact O-N 2.7Å; I526-E528 PolarHBondContact O-N 3.31Å; I526-L529 PolarHBondContact O-N 3.35Å; I526-L529 VanDerWaalsContact O-N 3.17Å; I526-V530 HydrophobicContact CG2-CG2 4.23Å; I526-V530 WeakPolarHBondContact O-CB 3.3Å; I526-V530 VanDerWaalsContact O-CG2 3.29Å; I526-V530 WeakPolarHBondContact O-CG2 3.44Å; I526-V530 PolarHBondContact O-N 2.88Å
527	D	92.7	Very high	89.8	Confident	97 Å²	97	65.7 Å²	65.7	52%	0.519	34%	0.337	S	S	.	.	H	α-helix	trans	-55.6	-41.8	176.3	-79.9	-16.5	0	0	0	111.1	D523 S531	D523-D527 VanDerWaalsContact O-CB 3.28Å; D523-D527 WeakPolarHBondContact O-CB 3.31Å; D523-D527 VanDerWaalsContact O-CG 3.22Å; D523-D527 PolarHBondContact O-N 3.46Å; D527-S531 PolarHBondContact O-N 2.86Å
528	E	95	Very high	89.6	Confident	9 Å²	9	65.7 Å²	65.7	4%	0.042	34%	0.341	C	S	.	.	H	α-helix	trans	-65.2	-48.5	175.5	176.9	169.3	-142.9	0	0	112.2	R388 R471 S524 I525 I526 V530 S531 F532	R388-E528 IonicContact CZ-OE1 3.21Å; R388-E528 IonicContact CZ-OE2 3.78Å; R388-E528 VanDerWaalsContact NH1-CD 3.34Å; R388-E528 IonicContact NH1-OE1 3.22Å; R388-E528 PolarHBondContact NH1-OE1 2.94Å; R388-E528 IonicContact NH1-OE2 3.66Å; R388-E528 PolarHBondContact NH1-OE2 2.88Å; R388-E528 VanDerWaalsContact NH1-OE2 3.09Å; R388-E528 IonicContact NH2-OE1 3.67Å; R388-E528 IonicContact NH2-OE2 3.57Å; R388-E528 PolarHBondContact NH2-OE2 3.25Å; R471-E528 IonicContact CZ-OE1 3.9Å; R471-E528 IonicContact NH2-OE1 2.7Å; R471-E528 PolarHBondContact NH2-OE1 3.24Å; S524-E528 WeakPolarHBondContact O-CB 3.4Å; S524-E528 PolarHBondContact O-N 2.89Å; S524-E528 VanDerWaalsContact O-N 3.09Å; I525-E528 PolarHBondContact O-N 3.3Å; I526-E528 PolarHBondContact O-N 3.31Å; E528-V530 VanDerWaalsContact C-N 3.3Å; E528-V530 PolarHBondContact O-N 2.96Å; E528-S531 WeakPolarHBondContact O-CA 3.48Å; E528-S531 WeakPolarHBondContact O-CB 3.37Å; E528-S531 PolarHBondContact O-N 2.79Å; E528-S531 PolarHBondContact O-OG 3.34Å; E528-F532 HydrophobicContact CG-CD2 4.5Å; E528-F532 HydrophobicContact CG-CE1 3.97Å; E528-F532 HydrophobicContact CG-CE2 3.68Å; E528-F532 HydrophobicContact CG-CZ 3.36Å; E528-F532 WeakPolarHBondContact O-CG 3.46Å; E528-F532 PolarHBondContact O-N 3.08Å; E528-F532 WeakPolarHBondContact OE1-CZ 3.41Å
529	L	95.2	Very high	88.6	Confident	77 Å²	77	67.8 Å²	67.8	40%	0.403	36%	0.357	S	S	.	.	H	α-helix	trans	-60.7	-38.9	177.5	-73.4	171.1	0	0	0	112.3	I525 I526 S531 F532	I525-L529 HydrophobicContact CG2-CD1 4.08Å; I525-L529 WeakPolarHBondContact O-CG 3.29Å; I525-L529 PolarHBondContact O-N 2.99Å; I526-L529 PolarHBondContact O-N 3.35Å; I526-L529 VanDerWaalsContact O-N 3.17Å; L529-S531 VanDerWaalsContact C-N 3.29Å; L529-S531 PolarHBondContact O-N 2.85Å; L529-F532 HydrophobicContact CD2-CD2 4.38Å; L529-F532 WeakPolarHBondContact O-CB 3.32Å; L529-F532 PolarHBondContact O-N 3.39Å; L529-F532 VanDerWaalsContact O-N 3.14Å
530	V	93.7	Very high	87.4	Confident	78 Å²	78	72.5 Å²	72.5	47%	0.473	38%	0.382	S	S	.	.	H	α-helix	trans	-63.6	-38	174.7	171.3	0	0	0	0	110.6	I526 E528 F532 L533	I526-V530 HydrophobicContact CG2-CG2 4.23Å; I526-V530 WeakPolarHBondContact O-CB 3.3Å; I526-V530 VanDerWaalsContact O-CG2 3.29Å; I526-V530 WeakPolarHBondContact O-CG2 3.44Å; I526-V530 PolarHBondContact O-N 2.88Å; E528-V530 VanDerWaalsContact C-N 3.3Å; E528-V530 PolarHBondContact O-N 2.96Å; V530-F532 PolarHBondContact O-N 2.83Å; V530-L533 WeakPolarHBondContact O-CB 3.27Å; V530-L533 PolarHBondContact O-N 3.02Å; V530-L533 VanDerWaalsContact O-N 3.17Å
531	S	92.2	Very high	86.5	Confident	59 Å²	59	77.7 Å²	77.7	41%	0.413	41%	0.407	S	S	.	.	H	α-helix	trans	-62	-28.2	175.5	83.9	0	0	0	0	112.9	D527 E528 L529 L533	D527-S531 PolarHBondContact O-N 2.86Å; E528-S531 WeakPolarHBondContact O-CA 3.48Å; E528-S531 WeakPolarHBondContact O-CB 3.37Å; E528-S531 PolarHBondContact O-N 2.79Å; E528-S531 PolarHBondContact O-OG 3.34Å; L529-S531 VanDerWaalsContact C-N 3.29Å; L529-S531 PolarHBondContact O-N 2.85Å; S531-L533 VanDerWaalsContact C-N 3.3Å; S531-L533 PolarHBondContact O-N 3.45Å
532	F	95.1	Very high	86.2	Confident	13 Å²	13	77.3 Å²	77.3	6%	0.057	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-9.1	179.1	-63.1	-15.3	0	0	0	114.4	Q466 D467 V468 W470 R471 F476 E528 L529 V530 H534	Q466-F532 HydrophobicContact CG-CE2 4.35Å; D467-F532 VanDerWaalsContact O-CE2 3.27Å; D467-F532 WeakPolarHBondContact O-CE2 3.25Å; V468-F532 HydrophobicContact CB-CE2 4.48Å; V468-F532 HydrophobicContact CB-CZ 4.12Å; V468-F532 HydrophobicContact CG1-CE2 4.33Å; V468-F532 HydrophobicContact CG1-CZ 4.02Å; W470-F532 HydrophobicContact CB-CB 3.71Å; W470-F532 HydrophobicContact CB-CD1 4.35Å; W470-F532 HydrophobicContact CB-CG 3.96Å; W470-F532 HydrophobicContact CG-CB 4.24Å; R471-F532 HydrophobicContact CB-CD1 4.44Å; R471-F532 HydrophobicContact CB-CE1 3.76Å; R471-F532 HydrophobicContact CB-CZ 4.35Å; R471-F532 HydrophobicContact CG-CE1 4.49Å; F476-F532 WeakPolarHBondContact CE2-O 3.49Å; F476-F532 WeakPolarHBondContact CZ-O 3.36Å; E528-F532 HydrophobicContact CG-CD2 4.5Å; E528-F532 HydrophobicContact CG-CE1 3.97Å; E528-F532 HydrophobicContact CG-CE2 3.68Å; E528-F532 HydrophobicContact CG-CZ 3.36Å; E528-F532 WeakPolarHBondContact O-CG 3.46Å; E528-F532 PolarHBondContact O-N 3.08Å; E528-F532 WeakPolarHBondContact OE1-CZ 3.41Å; L529-F532 HydrophobicContact CD2-CD2 4.38Å; L529-F532 WeakPolarHBondContact O-CB 3.32Å; L529-F532 PolarHBondContact O-N 3.39Å; L529-F532 VanDerWaalsContact O-N 3.14Å; V530-F532 PolarHBondContact O-N 2.83Å; F532-H534 PolarHBondContact O-N 3.37Å
533	L	91.4	Very high	85.7	Confident	123 Å²	123	74.2 Å²	74.2	64%	0.644	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-16.4	175.6	-63.3	177	0	0	0	112.8	V530 S531	V530-L533 WeakPolarHBondContact O-CB 3.27Å; V530-L533 PolarHBondContact O-N 3.02Å; V530-L533 VanDerWaalsContact O-N 3.17Å; S531-L533 VanDerWaalsContact C-N 3.3Å; S531-L533 PolarHBondContact O-N 3.45Å
534	H	88.7	Confident	85.4	Confident	133 Å²	133	69.6 Å²	69.6	62%	0.616	37%	0.374	S	S	*	.	S	Bend	trans	-125.9	131.1	-177	-57.4	86	0	0	0	110.4	F532 S536	F532-H534 PolarHBondContact O-N 3.37Å; H534-S536 PolarHBondContact O-N 3.47Å
535	P	87	Confident	85	Confident	66 Å²	66	69.9 Å²	69.9	43%	0.429	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-57.3	136.2	174.3	-25.1	33.6	0	0	0	112.3	F476	F476-P535 HydrophobicContact CD1-CB 4.37Å; F476-P535 HydrophobicContact CD1-CG 3.99Å; F476-P535 HydrophobicContact CD2-CG 4.31Å; F476-P535 HydrophobicContact CE1-CB 3.95Å; F476-P535 HydrophobicContact CE1-CG 3.82Å; F476-P535 HydrophobicContact CE2-CG 4.15Å; F476-P535 HydrophobicContact CG-CG 4.25Å; F476-P535 HydrophobicContact CZ-CB 4.29Å; F476-P535 HydrophobicContact CZ-CG 3.91Å
536	S	81.1	Confident	84.1	Confident	43 Å²	43	74.7 Å²	74.7	30%	0.301	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-61.6	148.7	171.9	-66.5	0	0	0	0	110.6	Q474 H534	Q474-S536 WeakPolarHBondContact CG-O 3.45Å; Q474-S536 PolarHBondContact NE2-O 3.3Å; H534-S536 PolarHBondContact O-N 3.47Å
537	K	77.6	Confident	83.4	Confident	183 Å²	183	71.2 Å²	71.2	80%	0.796	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-94.1	124.4	173.4	-66.3	-177.1	-179.3	178.9	0	109.9
538	C	71.1	Confident	82.6	Confident	41 Å²	41	67.2 Å²	67.2	28%	0.277	36%	0.361	S	S	.	.			trans	-90.7	109.9	166.7	-160.1	0	0	0	0	109.5	L427 Q474 D540 L542	L427-C538 HydrophobicContact CD1-CB 3.5Å; L427-C538 VanDerWaalsContact CD1-CB 3.5Å; Q474-C538 VanDerWaalsContact NE2-N 3.11Å; C538-D540 PolarHBondContact SG-O 2.93Å; C538-D540 VanDerWaalsContact SG-O 3.34Å; C538-L542 WeakPolarHBondContact SG-CD1 3.48Å
539	N	64.4	Low	81.6	Confident	145 Å²	145	69 Å²	69	78%	0.775	38%	0.375	S	S	*	.			trans	-101.6	-15.3	170.5	-66.7	-13.9	0	0	0	112.1
540	D	68.2	Low	80.4	Confident	106 Å²	106	67.4 Å²	67.4	57%	0.567	37%	0.366	S	S	*	.	S	Bend	trans	-95.5	144.6	-172.6	-64.1	-25.5	0	0	0	111.5	C538 L542	C538-D540 PolarHBondContact SG-O 2.93Å; C538-D540 VanDerWaalsContact SG-O 3.34Å; D540-L542 PolarHBondContact O-N 2.69Å
541	Q	73.8	Confident	79.3	Confident	131 Å²	131	71 Å²	71	61%	0.612	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-68.9	118.2	162.8	-72	-176.9	-1.7	0	0	109
542	L	82.8	Confident	78.6	Confident	18 Å²	18	72.4 Å²	72.4	9%	0.094	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-97.1	138.5	-179.1	-66.1	171.4	0	0	0	110.7	K425 L427 C538 D540	K425-L542 HydrophobicContact CB-CD2 4.03Å; K425-L542 HydrophobicContact CD-CD2 3.82Å; K425-L542 HydrophobicContact CG-CD2 4.07Å; L427-L542 VanDerWaalsContact C-CD1 3.42Å; L427-L542 HydrophobicContact CB-CD1 3.77Å; L427-L542 WeakPolarHBondContact O-CD1 3.28Å; C538-L542 WeakPolarHBondContact SG-CD1 3.48Å; D540-L542 PolarHBondContact O-N 2.69Å
543	P	78.5	Confident	78	Confident	36 Å²	36	73.7 Å²	73.7	23%	0.234	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-72.3	152.7	-179.9	31	-34.7	0	0	0	111.4	L428 G432	L428-P543 HydrophobicContact CD1-CG 3.89Å; L428-P543 WeakPolarHBondContact CD1-O 3.32Å; G432-P543 WeakPolarHBondContact CA-O 3.43Å
544	G	84	Confident	77.4	Confident	12 Å²	12	72.8 Å²	72.8	12%	0.124	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-66.3	173.2	160.7	0	0	0	0	0	112.2	Q546 E558 L559	G544-Q546 PolarHBondContact O-N 2.98Å; G544-E558 CarbonylContact C-O 3.57Å; G544-E558 WeakPolarHBondContact CA-O 3.46Å; G544-L559 WeakPolarHBondContact CA-O 3.17Å
545	R	83.6	Confident	76.9	Confident	10 Å²	10	70.7 Å²	70.7	4%	0.038	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-63.6	132.4	179.5	-170	-179.4	-130.9	-131.4	11.3	111.1	H396 E420 W433 T547 W552 R553 E558	H396-R545 PolarHBondContact ND1-NH2 3.37Å; E420-R545 WeakPolarHBondContact OE1-CG 3.42Å; W433-R545 VanDerWaalsContact CD1-N 3.27Å; W433-R545 HydrophobicContact CD2-CB 3.96Å; W433-R545 HydrophobicContact CD2-CG 4.34Å; W433-R545 HydrophobicContact CG-CB 4.22Å; W433-R545 HydrophobicContact CH2-CG 3.95Å; W433-R545 HydrophobicContact CZ2-CB 3.91Å; W433-R545 HydrophobicContact CZ2-CG 3.61Å; W433-R545 HydrophobicContact CZ3-CG 4.43Å; W433-R545 VanDerWaalsContact NE1-CA 3.3Å; W433-R545 VanDerWaalsContact NE1-N 3.19Å; R545-T547 WeakPolarHBondContact CD-O 3.41Å; R545-T547 PolarHBondContact NH1-O 2.72Å; R545-W552 VanDerWaalsContact CZ-CH2 3.48Å; R545-W552 VanDerWaalsContact CZ-CZ3 3.42Å; R545-R553 HydrophobicContact CB-CG 4.28Å; R545-R553 HydrophobicContact CG-CG 4.28Å; R545-R553 WeakPolarHBondContact O-CD 3.43Å; R545-R553 PolarHBondContact O-NH1 3.31Å; R545-E558 HydrophobicContact CB-CB 4Å; R545-E558 WeakPolarHBondContact CD-OE2 3.5Å; R545-E558 PolarHBondContact N-O 3.36Å; R545-E558 IonicContact NE-OE2 3.22Å
546	Q	77	Confident	76.8	Confident	106 Å²	106	72.3 Å²	72.3	50%	0.495	37%	0.374	S	S	.	.			trans	-101.6	-22.2	178.2	-55.6	-178.7	-22.7	0	0	112.3	E420 G544	E420-Q546 VanDerWaalsContact OE2-CB 3.31Å; E420-Q546 WeakPolarHBondContact OE2-CB 3.49Å; E420-Q546 PolarHBondContact OE2-N 3.09Å; G544-Q546 PolarHBondContact O-N 2.98Å
547	T	78.5	Confident	76.8	Confident	10 Å²	10	72.4 Å²	72.4	6%	0.061	38%	0.382	C	S	.	.	S	Bend	trans	-93.2	147.5	-178.8	61.7	0	0	0	0	115.1	W294 C419 E420 R545 R553	W294-T547 HydrophobicContact CE3-CG2 4.24Å; W294-T547 HydrophobicContact CZ3-CG2 4.45Å; C419-T547 HydrophobicContact CB-CG2 4.04Å; C419-T547 WeakPolarHBondContact O-CG2 3.4Å; E420-T547 WeakPolarHBondContact OE1-CB 3.26Å; E420-T547 WeakPolarHBondContact OE1-CG2 3.5Å; E420-T547 PolarHBondContact OE1-N 3.31Å; E420-T547 PolarHBondContact OE1-OG1 2.96Å; R545-T547 WeakPolarHBondContact CD-O 3.41Å; R545-T547 PolarHBondContact NH1-O 2.72Å; T547-R553 WeakPolarHBondContact O-CD 3.44Å
548	G	75.1	Confident	77.2	Confident	13 Å²	13	64 Å²	64	13%	0.134	35%	0.346	C	S	.	.	S	Bend	trans	84.5	167.1	-177.1	0	0	0	0	0	113.8	R553	G548-R553 PolarHBondContact O-NE 2.94Å
549	S	73.8	Confident	77.6	Confident	47 Å²	47	65.5 Å²	65.5	33%	0.329	35%	0.351	S	S	.	.			trans	-58.5	146.4	-175.5	74.8	0	0	0	0	111.9	E551 W552 R553	S549-E551 VanDerWaalsContact C-N 3.26Å; S549-E551 PolarHBondContact O-N 3.41Å; S549-W552 PolarHBondContact O-N 2.91Å; S549-W552 VanDerWaalsContact O-N 3.17Å; S549-W552 WeakPolarHBondContact OG-CB 3.49Å; S549-W552 PolarHBondContact OG-N 3.4Å; S549-R553 PolarHBondContact O-N 2.98Å
550	L	69.9	Low	78	Confident	43 Å²	43	60 Å²	60	23%	0.225	33%	0.328	C	S	.	.	H	α-helix	trans	-57.1	-43.2	178	179.3	62.8	0	0	0	111.4	W552 R553 Q554 L559 D679	L550-W552 VanDerWaalsContact C-N 3.32Å; L550-W552 PolarHBondContact O-N 2.75Å; L550-R553 PolarHBondContact O-N 2.93Å; L550-Q554 HydrophobicContact CD1-CG 4.15Å; L550-Q554 HydrophobicContact CG-CG 4.29Å; L550-Q554 WeakPolarHBondContact O-CB 3.31Å; L550-Q554 VanDerWaalsContact O-CG 3.31Å; L550-Q554 WeakPolarHBondContact O-CG 3.36Å; L550-Q554 PolarHBondContact O-N 3.35Å; L550-L559 HydrophobicContact CD1-CD2 3.92Å; L550-D679 HydrophobicContact CD2-CB 4.4Å
551	E	71.7	Confident	77.7	Confident	152 Å²	152	63.8 Å²	63.8	71%	0.71	34%	0.342	S	S	*	.	H	α-helix	trans	-57.5	-44.2	177.4	-62.5	155.5	166.5	0	0	111.4	S549 A555	S549-E551 VanDerWaalsContact C-N 3.26Å; S549-E551 PolarHBondContact O-N 3.41Å; E551-A555 VanDerWaalsContact O-CB 3.29Å; E551-A555 WeakPolarHBondContact O-CB 3.23Å; E551-A555 PolarHBondContact O-N 3.25Å
552	W	78.3	Confident	76.5	Confident	89 Å²	89	60.2 Å²	60.2	34%	0.337	33%	0.329	S	S	.	.	H	α-helix	trans	-66.9	-42.4	178.7	-177	95.5	0	0	0	111.7	R545 S549 L550 A555 R556 E558	R545-W552 VanDerWaalsContact CZ-CH2 3.48Å; R545-W552 VanDerWaalsContact CZ-CZ3 3.42Å; S549-W552 PolarHBondContact O-N 2.91Å; S549-W552 VanDerWaalsContact O-N 3.17Å; S549-W552 WeakPolarHBondContact OG-CB 3.49Å; S549-W552 PolarHBondContact OG-N 3.4Å; L550-W552 VanDerWaalsContact C-N 3.32Å; L550-W552 PolarHBondContact O-N 2.75Å; W552-A555 PolarHBondContact O-N 3.06Å; W552-R556 VanDerWaalsContact CE2-CD 3.49Å; W552-R556 WeakPolarHBondContact O-CG 2.99Å; W552-R556 PolarHBondContact O-N 3.37Å; W552-E558 VanDerWaalsContact CZ3-OE2 3.26Å; W552-E558 WeakPolarHBondContact CZ3-OE2 3.26Å
553	R	81.2	Confident	74.3	Confident	41 Å²	41	64.3 Å²	64.3	16%	0.155	36%	0.36	C	S	.	.	H	α-helix	trans	-67.1	-42	177.6	-70.3	-175.1	-78.3	125	2.7	112.1	R545 T547 G548 S549 L550 R556 G557 E558 L559	R545-R553 HydrophobicContact CB-CG 4.28Å; R545-R553 HydrophobicContact CG-CG 4.28Å; R545-R553 WeakPolarHBondContact O-CD 3.43Å; R545-R553 PolarHBondContact O-NH1 3.31Å; T547-R553 WeakPolarHBondContact O-CD 3.44Å; G548-R553 PolarHBondContact O-NE 2.94Å; S549-R553 PolarHBondContact O-N 2.98Å; L550-R553 PolarHBondContact O-N 2.93Å; R553-R556 PolarHBondContact O-N 3.23Å; R553-G557 PolarHBondContact O-N 3.46Å; R553-G557 VanDerWaalsContact O-N 3.07Å; R553-E558 PolarHBondContact O-N 3.28Å; R553-L559 HydrophobicContact CB-CD2 4.03Å
554	Q	80.1	Confident	72.3	Confident	104 Å²	104	67.6 Å²	67.6	49%	0.486	38%	0.375	S	S	.	.	H	α-helix	trans	-61.5	-47.4	175	-79.8	176.6	-9.6	0	0	111.6	L550 R556 G557 L559	L550-Q554 HydrophobicContact CD1-CG 4.15Å; L550-Q554 HydrophobicContact CG-CG 4.29Å; L550-Q554 WeakPolarHBondContact O-CB 3.31Å; L550-Q554 VanDerWaalsContact O-CG 3.31Å; L550-Q554 WeakPolarHBondContact O-CG 3.36Å; L550-Q554 PolarHBondContact O-N 3.35Å; Q554-R556 PolarHBondContact O-N 2.84Å; Q554-R556 VanDerWaalsContact O-N 3.15Å; Q554-G557 PolarHBondContact O-N 3.34Å; Q554-L559 HydrophobicContact CG-CD1 3.51Å; Q554-L559 HydrophobicContact CG-CG 4.17Å
555	A	78	Confident	69.9	Low	89 Å²	89	70.9 Å²	70.9	74%	0.736	40%	0.396	S	S	*	.	H	α-helix	trans	-59.1	-27.7	178.7	0	0	0	0	0	112.9	E551 W552	E551-A555 VanDerWaalsContact O-CB 3.29Å; E551-A555 WeakPolarHBondContact O-CB 3.23Å; E551-A555 PolarHBondContact O-N 3.25Å; W552-A555 PolarHBondContact O-N 3.06Å
556	R	83.6	Confident	67.6	Low	99 Å²	99	75.3 Å²	75.3	37%	0.374	42%	0.424	S	S	.	.	H	α-helix	trans	-94.6	-6.6	177.5	-65.8	177.6	63.5	113	-1.8	114.2	D395 W552 R553 Q554 E558	D395-R556 IonicContact OD2-NH1 2.66Å; W552-R556 VanDerWaalsContact CE2-CD 3.49Å; W552-R556 WeakPolarHBondContact O-CG 2.99Å; W552-R556 PolarHBondContact O-N 3.37Å; R553-R556 PolarHBondContact O-N 3.23Å; Q554-R556 PolarHBondContact O-N 2.84Å; Q554-R556 VanDerWaalsContact O-N 3.15Å; R556-E558 VanDerWaalsContact C-N 3.27Å; R556-E558 HydrophobicContact CB-CG 3.75Å; R556-E558 IonicContact CZ-OE1 2.93Å; R556-E558 IonicContact NE-OE1 3.26Å; R556-E558 PolarHBondContact NE-OE1 3.4Å; R556-E558 IonicContact NE-OE2 2.75Å; R556-E558 IonicContact NH2-OE1 3.62Å; R556-E558 PolarHBondContact NH2-OE1 3.17Å; R556-E558 PolarHBondContact O-N 2.85Å
557	G	82	Confident	65.7	Low	46 Å²	46	76 Å²	76	47%	0.474	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.4	22.8	-177.2	0	0	0	0	0	114	R553 Q554 L559	R553-G557 PolarHBondContact O-N 3.46Å; R553-G557 VanDerWaalsContact O-N 3.07Å; Q554-G557 PolarHBondContact O-N 3.34Å; G557-L559 VanDerWaalsContact C-N 3.31Å; G557-L559 PolarHBondContact O-N 2.96Å
558	E	85.3	Confident	64.2	Low	5 Å²	5	78 Å²	78	2%	0.023	44%	0.44	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	12.1	-171.9	-63.6	178.3	175.2	0	0	112.9	W433 G544 R545 W552 R553 R556 G560	W433-E558 HydrophobicContact CB-CB 4.07Å; W433-E558 HydrophobicContact CB-CG 4.07Å; W433-E558 HydrophobicContact CG-CB 4.42Å; G544-E558 CarbonylContact C-O 3.57Å; G544-E558 WeakPolarHBondContact CA-O 3.46Å; R545-E558 HydrophobicContact CB-CB 4Å; R545-E558 WeakPolarHBondContact CD-OE2 3.5Å; R545-E558 PolarHBondContact N-O 3.36Å; R545-E558 IonicContact NE-OE2 3.22Å; W552-E558 VanDerWaalsContact CZ3-OE2 3.26Å; W552-E558 WeakPolarHBondContact CZ3-OE2 3.26Å; R553-E558 PolarHBondContact O-N 3.28Å; R556-E558 VanDerWaalsContact C-N 3.27Å; R556-E558 HydrophobicContact CB-CG 3.75Å; R556-E558 IonicContact CZ-OE1 2.93Å; R556-E558 IonicContact NE-OE1 3.26Å; R556-E558 PolarHBondContact NE-OE1 3.4Å; R556-E558 IonicContact NE-OE2 2.75Å; R556-E558 IonicContact NH2-OE1 3.62Å; R556-E558 PolarHBondContact NH2-OE1 3.17Å; R556-E558 PolarHBondContact O-N 2.85Å; E558-G560 PolarHBondContact O-N 2.89Å
559	L	79.1	Confident	63.1	Low	74 Å²	74	84.6 Å²	84.6	39%	0.387	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-11.9	179.6	-67.9	-175.3	0	0	0	114.5	G544 L550 R553 Q554 G557	G544-L559 WeakPolarHBondContact CA-O 3.17Å; L550-L559 HydrophobicContact CD1-CD2 3.92Å; R553-L559 HydrophobicContact CB-CD2 4.03Å; Q554-L559 HydrophobicContact CG-CD1 3.51Å; Q554-L559 HydrophobicContact CG-CG 4.17Å; G557-L559 VanDerWaalsContact C-N 3.31Å; G557-L559 PolarHBondContact O-N 2.96Å
560	G	72.9	Confident	62.3	Low	28 Å²	28	86 Å²	86	29%	0.289	48%	0.475	S	S	.	.			trans	80	166	-175.2	0	0	0	0	0	113.8	G432 E558	G432-G560 VanDerWaalsContact O-CA 3.23Å; G432-G560 WeakPolarHBondContact O-CA 3.49Å; E558-G560 PolarHBondContact O-N 2.89Å
561	Q	62.3	Low	62	Low	186 Å²	186	88.8 Å²	88.8	87%	0.869	49%	0.485	S	S	*	.	S	Bend	trans	-79.3	-23.3	-178.5	-67.4	-177.3	-5.1	0	0	112.8	S563	Q561-S563 PolarHBondContact O-N 3.47Å
562	T	49.9	Very low	61.6	Low	56 Å²	56	82.7 Å²	82.7	34%	0.344	46%	0.463	S	S	.	.			trans	-94.4	96.4	-174.4	7.6	0	0	0	0	110.9	L564	T562-L564 HydrophobicContact CG2-CB 3.66Å; T562-L564 HydrophobicContact CG2-CD1 3.36Å; T562-L564 HydrophobicContact CG2-CG 3.69Å; T562-L564 PolarHBondContact O-N 2.99Å
563	S	36.6	Very low	60.8	Low	104 Å²	104	80.1 Å²	80.1	73%	0.727	46%	0.459	S	S	*	.			trans	-72.6	12.2	150.8	-69.1	0	0	0	0	112.4	Q561 S565	Q561-S563 PolarHBondContact O-N 3.47Å; S563-S565 PolarHBondContact O-N 2.98Å
564	L	36	Very low	60	Low	106 Å²	106	81.4 Å²	81.4	56%	0.555	47%	0.466	S	S	*	.			trans	-60	110.2	167.1	-80.6	169.2	0	0	0	106.5	T562 V566	T562-L564 HydrophobicContact CG2-CB 3.66Å; T562-L564 HydrophobicContact CG2-CD1 3.36Å; T562-L564 HydrophobicContact CG2-CG 3.69Å; T562-L564 PolarHBondContact O-N 2.99Å; L564-V566 PolarHBondContact O-N 3.06Å
565	S	32.8	Very low	59.7	Low	80 Å²	80	78.1 Å²	78.1	56%	0.559	45%	0.453	S	S	*	.			trans	-56.6	77.5	159.6	52.8	0	0	0	0	107.9	S563 E567	S563-S565 PolarHBondContact O-N 2.98Å; S565-E567 PolarHBondContact O-N 3.5Å
566	V	35.6	Very low	59.9	Low	103 Å²	103	76.9 Å²	76.9	62%	0.624	43%	0.434	S	S	*	.			trans	-59.8	104.3	146.2	-177.5	0	0	0	0	101.7	L564	L564-V566 PolarHBondContact O-N 3.06Å
567	E	37.7	Very low	60.3	Low	122 Å²	122	72.2 Å²	72.2	57%	0.57	42%	0.417	S	S	*	.			trans	-42.3	125.3	169.9	-80.9	-162.4	131.4	0	0	106.3	S565 L569 R659	S565-E567 PolarHBondContact O-N 3.5Å; E567-L569 PolarHBondContact O-N 2.81Å; E567-R659 IonicContact OE1-CZ 3.67Å; E567-R659 IonicContact OE1-NH1 2.86Å; E567-R659 PolarHBondContact OE1-NH1 3.07Å; E567-R659 IonicContact OE1-NH2 3.89Å; E567-R659 PolarHBondContact OE1-NH2 2.93Å; E567-R659 IonicContact OE2-NH1 3.5Å; E567-R659 PolarHBondContact OE2-NH1 3.06Å; E567-R659 VanDerWaalsContact OE2-NH1 3.16Å
568	P	46.4	Very low	60.7	Low	52 Å²	52	74 Å²	74	34%	0.338	42%	0.418	S	S	.	.			trans	-50.6	119	-178.5	-25	31	0	0	0	107.9	L570	P568-L570 PolarHBondContact O-N 3.07Å
569	L	52	Low	61.1	Low	151 Å²	151	74.3 Å²	74.3	79%	0.791	42%	0.42	S	S	*	.			trans	-45.8	130.2	175.5	-81.4	160.7	0	0	0	107.5	E567 K571	E567-L569 PolarHBondContact O-N 2.81Å; L569-K571 PolarHBondContact O-N 3.3Å
570	L	56.5	Low	61.5	Low	77 Å²	77	71.6 Å²	71.6	40%	0.403	41%	0.408	S	S	.	.			trans	-51.9	112.8	173.4	-79.2	153.4	0	0	0	107.8	P568 Q657 W658 R659 I687	P568-L570 PolarHBondContact O-N 3.07Å; L570-Q657 HydrophobicContact CB-CB 4.4Å; L570-Q657 HydrophobicContact CB-CG 4.46Å; L570-Q657 HydrophobicContact CD2-CB 4.19Å; L570-W658 CarbonylContact C-O 3.52Å; L570-R659 HydrophobicContact CD2-CB 4.15Å; L570-R659 HydrophobicContact CD2-CG 4.48Å; L570-I687 HydrophobicContact CD2-CG2 4.49Å
571	K	63.5	Low	62.3	Low	100 Å²	100	75.8 Å²	75.8	44%	0.435	42%	0.424	S	S	.	.	B	Isolated β-bridge	trans	-73.2	144.6	169.1	-61.8	172.9	-174.5	167	0	106.1	L569 Q657 W658 E677	L569-K571 PolarHBondContact O-N 3.3Å; K571-Q657 CarbonylContact O-C 3.56Å; K571-Q657 VanDerWaalsContact O-CA 3.24Å; K571-Q657 WeakPolarHBondContact O-CA 3.39Å; K571-W658 HydrophobicContact CB-CD2 4.06Å; K571-W658 HydrophobicContact CB-CG 4.41Å; K571-W658 HydrophobicContact CB-CZ2 3.85Å; K571-W658 PolarHBondContact N-O 3.44Å; K571-W658 PolarHBondContact O-N 2.89Å; K571-E677 IonicContact NZ-OE1 3.35Å; K571-E677 PolarHBondContact NZ-OE1 2.85Å
572	G	63.4	Low	63.7	Low	25 Å²	25	68.2 Å²	68.2	26%	0.258	39%	0.393	S	S	.	.			trans	-173.3	136.7	-178.6	0	0	0	0	0	113.2	K574 Y656	G572-K574 PolarHBondContact O-N 3.15Å; G572-Y656 CarbonylContact C-O 3.49Å; G572-Y656 WeakPolarHBondContact CA-O 3.47Å
573	S	61.6	Low	65.9	Low	34 Å²	34	65.5 Å²	65.5	24%	0.238	38%	0.376	C	S	.	.			trans	-68.6	-13.9	166.8	66.1	0	0	0	0	111.9	C575 V655 Y656	S573-C575 PolarHBondContact O-N 3.16Å; S573-C575 VanDerWaalsContact O-N 3.11Å; S573-C575 WeakPolarHBondContact OG-CB 3.25Å; S573-C575 PolarHBondContact OG-N 2.92Å; S573-V655 PolarHBondContact OG-O 3.18Å; S573-Y656 PolarHBondContact N-O 2.92Å
574	K	63.9	Low	68.7	Low	69 Å²	69	61.4 Å²	61.4	30%	0.3	35%	0.346	S	S	.	.			trans	52.5	22.9	-165.7	-59.2	-164.1	-171.5	157.9	0	113.4	N266 G572 I576 Y656	N266-K574 WeakPolarHBondContact OD1-CD 3.36Å; N266-K574 WeakPolarHBondContact OD1-CE 3.46Å; N266-K574 PolarHBondContact OD1-NZ 3.42Å; G572-K574 PolarHBondContact O-N 3.15Å; K574-I576 PolarHBondContact O-N 3.08Å; K574-Y656 VanDerWaalsContact C-CD2 3.48Å; K574-Y656 WeakPolarHBondContact CA-O 3.24Å; K574-Y656 HydrophobicContact CB-CD2 4.4Å; K574-Y656 HydrophobicContact CB-CE2 3.99Å; K574-Y656 HydrophobicContact CG-CE2 4.44Å; K574-Y656 PolarHBondContact N-O 3.18Å
575	C	74.3	Confident	71.4	Confident	34 Å²	34	63.9 Å²	63.9	23%	0.23	36%	0.355	C	S	.	.			trans	-63.1	109.5	175.6	-176.9	0	0	0	0	110.3	S573 Y656	S573-C575 PolarHBondContact O-N 3.16Å; S573-C575 VanDerWaalsContact O-N 3.11Å; S573-C575 WeakPolarHBondContact OG-CB 3.25Å; S573-C575 PolarHBondContact OG-N 2.92Å; C575-Y656 WeakPolarHBondContact O-CA 3.29Å; C575-Y656 WeakPolarHBondContact O-CB 3.46Å
576	I	83	Confident	74.3	Confident	63 Å²	63	62.5 Å²	62.5	32%	0.323	35%	0.345	S	S	.	.			trans	-96.9	120.6	166.8	-60.1	176.6	0	0	0	106.6	K574 T578 Y656 M691 D693 F771	K574-I576 PolarHBondContact O-N 3.08Å; I576-T578 PolarHBondContact O-N 2.66Å; I576-Y656 HydrophobicContact CD1-CE2 4.25Å; I576-Y656 HydrophobicContact CG1-CD2 3.82Å; I576-Y656 HydrophobicContact CG1-CE2 3.81Å; I576-M691 HydrophobicContact CG1-CB 4.48Å; I576-M691 HydrophobicContact CG2-CB 4.35Å; I576-D693 HydrophobicContact CG2-CB 3.51Å; I576-F771 HydrophobicContact CG2-CE2 4.27Å
577	I	91.8	Very high	77.2	Confident	2 Å²	2	58.5 Å²	58.5	1%	0.01	33%	0.325	C	S	.	.	B	Isolated β-bridge	trans	-79.9	125.2	-174.4	-50.9	171.6	0	0	0	108.6	F589 L591 M654 M691 L692 D693	I577-F589 HydrophobicContact CD1-CZ 4.45Å; I577-F589 HydrophobicContact CG2-CE2 3.58Å; I577-F589 HydrophobicContact CG2-CZ 3.78Å; I577-L591 HydrophobicContact CD1-CD2 3.79Å; I577-M654 HydrophobicContact CB-CE 4.37Å; I577-M654 HydrophobicContact CD1-CB 4.43Å; I577-M654 HydrophobicContact CD1-CE 3.65Å; I577-M654 HydrophobicContact CG1-CE 3.65Å; I577-M654 HydrophobicContact CG2-CE 3.85Å; I577-M691 VanDerWaalsContact CB-O 3.29Å; I577-M691 WeakPolarHBondContact CB-O 3.44Å; I577-M691 WeakPolarHBondContact CG1-O 3.44Å; I577-M691 PolarHBondContact N-O 2.88Å; I577-L692 HydrophobicContact CB-CD1 4.45Å; I577-L692 HydrophobicContact CG2-CD1 4.37Å; I577-L692 CarbonylContact O-C 3.59Å; I577-L692 WeakPolarHBondContact O-CA 3.32Å; I577-L692 WeakPolarHBondContact O-CD1 3.36Å; I577-D693 PolarHBondContact O-N 3.25Å
578	T	89.8	Confident	80	Confident	83 Å²	83	54.1 Å²	54.1	51%	0.509	31%	0.305	S	S	.	.			trans	-111.8	137.7	168.4	55.1	0	0	0	0	109.8	I576 R602 D693	I576-T578 PolarHBondContact O-N 2.66Å; T578-R602 PolarHBondContact O-NH2 2.92Å; T578-D693 HydrophobicContact CG2-CB 4.29Å
579	P	93.2	Very high	82.4	Confident	11 Å²	11	51.7 Å²	51.7	7%	0.071	29%	0.289	C	S	.	.			trans	-60.6	141.8	171.4	-23.1	34.3	0	0	0	111.9	E583 L584 F589 L692 L694 L817	P579-E583 HydrophobicContact CB-CB 4.06Å; P579-L584 HydrophobicContact CB-CD2 3.72Å; P579-L584 HydrophobicContact CB-CG 4.01Å; P579-L584 HydrophobicContact CG-CD2 4.17Å; P579-F589 HydrophobicContact CG-CD2 4.42Å; P579-L692 HydrophobicContact CG-CD1 4.01Å; P579-L694 HydrophobicContact CG-CD2 3.4Å; P579-L817 HydrophobicContact CB-CD1 4.43Å; P579-L817 HydrophobicContact CG-CD1 4.32Å
580	S	89.1	Confident	84.6	Confident	18 Å²	18	45.3 Å²	45.3	13%	0.126	26%	0.255	C	S	.	.			trans	-72.2	161.9	167.2	63.1	0	0	0	0	110.8	A582 E583 L584	S580-A582 PolarHBondContact O-N 2.91Å; S580-A582 VanDerWaalsContact O-N 3.16Å; S580-E583 WeakPolarHBondContact CB-OE2 3.44Å; S580-E583 PolarHBondContact N-OE2 3.37Å; S580-E583 PolarHBondContact O-N 3.42Å; S580-E583 PolarHBondContact OG-N 3.43Å; S580-E583 PolarHBondContact OG-OE2 2.81Å; S580-L584 WeakPolarHBondContact O-CG 3.31Å; S580-L584 PolarHBondContact O-N 3.3Å
581	N	89.5	Confident	86.5	Confident	116 Å²	116	41.6 Å²	41.6	62%	0.62	24%	0.236	S	C	*	.	H	α-helix	trans	-56	-33	174.8	-73.5	-27.7	0	0	0	112.9	L584 Q585	N581-L584 PolarHBondContact O-N 3.35Å; N581-Q585 WeakPolarHBondContact O-CB 3.48Å; N581-Q585 VanDerWaalsContact O-CG 3.24Å; N581-Q585 WeakPolarHBondContact O-CG 3.23Å; N581-Q585 PolarHBondContact O-N 3.22Å
582	A	91.8	Very high	88.1	Confident	26 Å²	26	39.4 Å²	39.4	22%	0.215	23%	0.225	C	C	.	.	H	α-helix	trans	-68.5	-40.4	176.8	0	0	0	0	0	112.5	S580 Q585 S586 Y604	S580-A582 PolarHBondContact O-N 2.91Å; S580-A582 VanDerWaalsContact O-N 3.16Å; A582-Q585 PolarHBondContact O-N 2.81Å; A582-S586 WeakPolarHBondContact O-CB 3.29Å; A582-S586 PolarHBondContact O-N 3.11Å; A582-S586 PolarHBondContact O-OG 3.43Å; A582-Y604 WeakPolarHBondContact CB-O 2.88Å
583	E	96.4	Very high	89.7	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-67.4	-38.1	173.8	-73.8	160	130.3	0	0	111.9	P579 S580 S586 G587 I588 R602	P579-E583 HydrophobicContact CB-CB 4.06Å; S580-E583 WeakPolarHBondContact CB-OE2 3.44Å; S580-E583 PolarHBondContact N-OE2 3.37Å; S580-E583 PolarHBondContact O-N 3.42Å; S580-E583 PolarHBondContact OG-N 3.43Å; S580-E583 PolarHBondContact OG-OE2 2.81Å; E583-S586 WeakPolarHBondContact CA-OG 3.46Å; E583-S586 PolarHBondContact O-N 2.91Å; E583-S586 PolarHBondContact O-OG 3.25Å; E583-G587 PolarHBondContact O-N 3.1Å; E583-G587 VanDerWaalsContact O-N 3.16Å; E583-I588 WeakPolarHBondContact CB-O 3.2Å; E583-I588 PolarHBondContact O-N 3.45Å; E583-I588 VanDerWaalsContact O-N 3.15Å; E583-R602 VanDerWaalsContact CD-NH2 3.28Å; E583-R602 IonicContact OE1-CZ 3.46Å; E583-R602 IonicContact OE1-NE 2.8Å; E583-R602 PolarHBondContact OE1-NE 3.38Å; E583-R602 IonicContact OE1-NH2 3.71Å; E583-R602 PolarHBondContact OE1-NH2 3.2Å; E583-R602 VanDerWaalsContact OE1-NH2 3.13Å; E583-R602 IonicContact OE2-CZ 3.33Å; E583-R602 IonicContact OE2-NE 3.54Å; E583-R602 IonicContact OE2-NH2 2.88Å; E583-R602 PolarHBondContact OE2-NH2 3.06Å
584	L	94.3	Very high	91.4	Very high	18 Å²	18	36.6 Å²	36.6	9%	0.094	20%	0.201	C	C	.	.	H	α-helix	trans	-63	-45.5	174	-65.3	178.1	0	0	0	111	P579 S580 N581 G587 T697 Y699 L817	P579-L584 HydrophobicContact CB-CD2 3.72Å; P579-L584 HydrophobicContact CB-CG 4.01Å; P579-L584 HydrophobicContact CG-CD2 4.17Å; S580-L584 WeakPolarHBondContact O-CG 3.31Å; S580-L584 PolarHBondContact O-N 3.3Å; N581-L584 PolarHBondContact O-N 3.35Å; L584-G587 PolarHBondContact O-N 3.44Å; L584-T697 HydrophobicContact CD1-CG2 4.16Å; L584-T697 HydrophobicContact CD2-CG2 4.17Å; L584-Y699 HydrophobicContact CB-CD2 4.19Å; L584-Y699 HydrophobicContact CB-CE2 3.79Å; L584-Y699 HydrophobicContact CD1-CD2 4.5Å; L584-Y699 HydrophobicContact CD2-CD2 3.67Å; L584-Y699 HydrophobicContact CD2-CE2 4.18Å; L584-Y699 HydrophobicContact CD2-CG 4.04Å; L584-Y699 HydrophobicContact CG-CD2 4.32Å; L584-Y699 HydrophobicContact CG-CE2 4.38Å; L584-Y699 WeakPolarHBondContact O-CE1 3.46Å; L584-Y699 VanDerWaalsContact O-CZ 3.25Å; L584-Y699 PolarHBondContact O-OH 3.3Å; L584-L817 HydrophobicContact CD2-CD1 3.99Å
585	Q	92.1	Very high	92.9	Very high	158 Å²	158	33.3 Å²	33.3	74%	0.738	19%	0.187	S	C	*	.	H	α-helix	trans	-67.4	-35.4	178.3	-75.7	175.1	-5.8	0	0	113.3	N581 A582 G587	N581-Q585 WeakPolarHBondContact O-CB 3.48Å; N581-Q585 VanDerWaalsContact O-CG 3.24Å; N581-Q585 WeakPolarHBondContact O-CG 3.23Å; N581-Q585 PolarHBondContact O-N 3.22Å; A582-Q585 PolarHBondContact O-N 2.81Å; Q585-G587 PolarHBondContact O-N 3.16Å
586	S	95.2	Very high	93.8	Very high	50 Å²	50	32.3 Å²	32.3	35%	0.35	18%	0.181	S	C	.	.	H	α-helix	trans	-71.7	-15.7	175	74	0	0	0	0	112.6	A582 E583 I588	A582-S586 WeakPolarHBondContact O-CB 3.29Å; A582-S586 PolarHBondContact O-N 3.11Å; A582-S586 PolarHBondContact O-OG 3.43Å; E583-S586 WeakPolarHBondContact CA-OG 3.46Å; E583-S586 PolarHBondContact O-N 2.91Å; E583-S586 PolarHBondContact O-OG 3.25Å; S586-I588 PolarHBondContact O-N 3.17Å; S586-I588 PolarHBondContact OG-N 3.46Å; S586-I588 PolarHBondContact OG-O 3.28Å
587	G	95.7	Very high	94.3	Very high	19 Å²	19	29.7 Å²	29.7	20%	0.196	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.5	17.7	-173.1	0	0	0	0	0	112.9	E583 L584 Q585 L817	E583-G587 PolarHBondContact O-N 3.1Å; E583-G587 VanDerWaalsContact O-N 3.16Å; L584-G587 PolarHBondContact O-N 3.44Å; Q585-G587 PolarHBondContact O-N 3.16Å; G587-L817 PolarHBondContact O-N 3.13Å
588	I	96.9	Very high	94.4	Very high	31 Å²	31	30.7 Å²	30.7	16%	0.159	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	120.3	-175.8	-59.2	175.8	0	0	0	110	E583 S586 H590 Y604 K814	E583-I588 WeakPolarHBondContact CB-O 3.2Å; E583-I588 PolarHBondContact O-N 3.45Å; E583-I588 VanDerWaalsContact O-N 3.15Å; S586-I588 PolarHBondContact O-N 3.17Å; S586-I588 PolarHBondContact OG-N 3.46Å; S586-I588 PolarHBondContact OG-O 3.28Å; I588-H590 HydrophobicContact CG2-CB 4.16Å; I588-Y604 HydrophobicContact CB-CD2 4.21Å; I588-Y604 HydrophobicContact CB-CE2 4.13Å; I588-Y604 HydrophobicContact CD1-CE1 4.42Å; I588-Y604 HydrophobicContact CD1-CE2 4.4Å; I588-Y604 HydrophobicContact CG2-CD2 3.82Å; I588-Y604 HydrophobicContact CG2-CE2 3.59Å; I588-K814 HydrophobicContact CG2-CD 4.41Å; I588-K814 HydrophobicContact CG2-CG 3.94Å
589	F	97.3	Very high	94.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	130.5	157.6	169.8	-101.3	0	0	0	108.9	I577 P579 L591 L692 W813 K814 V815 L817	I577-F589 HydrophobicContact CD1-CZ 4.45Å; I577-F589 HydrophobicContact CG2-CE2 3.58Å; I577-F589 HydrophobicContact CG2-CZ 3.78Å; P579-F589 HydrophobicContact CG-CD2 4.42Å; F589-L591 HydrophobicContact CE1-CB 4.08Å; F589-L591 HydrophobicContact CZ-CB 3.76Å; F589-L692 HydrophobicContact CD1-CD1 3.98Å; F589-L692 HydrophobicContact CD1-CD2 3.65Å; F589-L692 HydrophobicContact CD1-CG 4.44Å; F589-L692 HydrophobicContact CD2-CD1 3.98Å; F589-L692 HydrophobicContact CE1-CD1 3.9Å; F589-L692 HydrophobicContact CE1-CD2 3.94Å; F589-L692 HydrophobicContact CE1-CG 4.4Å; F589-L692 HydrophobicContact CE2-CD1 3.9Å; F589-L692 HydrophobicContact CG-CD1 4Å; F589-L692 HydrophobicContact CG-CD2 4.2Å; F589-L692 HydrophobicContact CZ-CD1 3.85Å; F589-W813 HydrophobicContact CE1-CD2 4.37Å; F589-W813 HydrophobicContact CE1-CE3 4.25Å; F589-K814 CarbonylContact O-C 3.59Å; F589-K814 WeakPolarHBondContact O-CA 3.36Å; F589-V815 HydrophobicContact CB-CB 4.29Å; F589-V815 HydrophobicContact CD1-CB 4.15Å; F589-V815 HydrophobicContact CD1-CG2 3.97Å; F589-V815 PolarHBondContact N-O 3.45Å; F589-V815 PolarHBondContact O-N 3.08Å; F589-L817 HydrophobicContact CB-CD1 4.17Å; F589-L817 HydrophobicContact CB-CD2 4.43Å; F589-L817 HydrophobicContact CB-CG 4.43Å
590	H	97.5	Very high	94.8	Very high	17 Å²	17	26.4 Å²	26.4	8%	0.079	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	110.4	177.9	-173.3	-171	0	0	0	110.1	I588 R602 P603 Y604 E812 W813 K814	I588-H590 HydrophobicContact CG2-CB 4.16Å; H590-R602 WeakPolarHBondContact O-CA 3.16Å; H590-P603 VanDerWaalsContact O-CD 3.24Å; H590-P603 WeakPolarHBondContact O-CD 3.22Å; H590-Y604 HydrophobicContact CB-CD2 3.94Å; H590-Y604 HydrophobicContact CB-CE2 4.11Å; H590-E812 IonicContact CE1-OE2 3.49Å; H590-E812 PolarHBondContact CE1-OE2 2.77Å; H590-E812 IonicContact NE2-OE2 3.59Å; H590-E812 PolarHBondContact NE2-OE2 2.7Å; H590-W813 WeakPolarHBondContact CA-O 3.28Å; H590-K814 HydrophobicContact CB-CB 4.5Å; H590-K814 HydrophobicContact CB-CG 4.3Å
591	L	97.2	Very high	95	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	129	171.9	-177.6	70.5	0	0	0	109.4	I577 F589 Y600 R602 M654 W813	I577-L591 HydrophobicContact CD1-CD2 3.79Å; F589-L591 HydrophobicContact CE1-CB 4.08Å; F589-L591 HydrophobicContact CZ-CB 3.76Å; L591-Y600 HydrophobicContact CD1-CD1 3.68Å; L591-Y600 HydrophobicContact CD1-CE1 4.5Å; L591-Y600 HydrophobicContact CD1-CG 4.24Å; L591-Y600 HydrophobicContact CD2-CD1 4.12Å; L591-Y600 HydrophobicContact CD2-CE1 4.13Å; L591-Y600 HydrophobicContact CG-CD1 3.87Å; L591-Y600 HydrophobicContact CG-CE1 4.34Å; L591-R602 HydrophobicContact CD1-CG 3.89Å; L591-M654 HydrophobicContact CD1-CB 4.47Å; L591-M654 HydrophobicContact CD1-CE 4.05Å; L591-M654 HydrophobicContact CD1-CG 4.18Å; L591-M654 HydrophobicContact CD2-CB 4.46Å; L591-W813 HydrophobicContact CD2-CE3 4.29Å; L591-W813 PolarHBondContact N-O 2.98Å; L591-W813 PolarHBondContact O-N 3.11Å
592	R	97	Very high	95.2	Very high	54 Å²	54	23.4 Å²	23.4	20%	0.204	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	144.2	174.6	56.4	-179.3	-167	-172.4	0.6	111.9	Y600 Q601 P603 W809 L811 E812	R592-Y600 CarbonylContact O-C 3.49Å; R592-Y600 VanDerWaalsContact O-CA 3.24Å; R592-Y600 WeakPolarHBondContact O-CA 3.5Å; R592-Q601 HydrophobicContact CG-CB 4.06Å; R592-Q601 WeakPolarHBondContact CG-O 3.47Å; R592-Q601 VanDerWaalsContact CZ-OE1 3.29Å; R592-Q601 PolarHBondContact N-O 3.44Å; R592-Q601 VanDerWaalsContact NE-OE1 3.09Å; R592-Q601 PolarHBondContact O-N 2.9Å; R592-P603 HydrophobicContact CG-CG 4.43Å; R592-W809 VanDerWaalsContact C-CE3 3.46Å; R592-W809 HydrophobicContact CB-CB 4.25Å; R592-W809 HydrophobicContact CB-CD2 3.89Å; R592-W809 HydrophobicContact CB-CE3 3.54Å; R592-W809 HydrophobicContact CB-CG 4.19Å; R592-W809 HydrophobicContact CB-CZ3 4.22Å; R592-W809 VanDerWaalsContact CD-CD2 3.41Å; R592-W809 HydrophobicContact CG-CD2 3.65Å; R592-W809 HydrophobicContact CG-CE3 3.39Å; R592-W809 HydrophobicContact CG-CG 4.28Å; R592-W809 HydrophobicContact CG-CH2 4.21Å; R592-W809 HydrophobicContact CG-CZ2 4.42Å; R592-W809 HydrophobicContact CG-CZ3 3.7Å; R592-W809 VanDerWaalsContact NE-CE2 3.32Å; R592-W809 WeakPolarHBondContact O-CZ3 3.42Å; R592-L811 CarbonylContact C-O 3.52Å; R592-L811 WeakPolarHBondContact CA-O 3.33Å; R592-L811 WeakPolarHBondContact CB-O 3.34Å; R592-E812 HydrophobicContact CB-CB 4.42Å; R592-E812 HydrophobicContact CB-CG 3.96Å
593	Y	97	Very high	95.3	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	133.7	178.3	176.5	-110.1	0	0	0	111.8	S595 N598 I599 Y600 W651 F799 W809 S810 L811	Y593-S595 WeakPolarHBondContact CE1-OG 3.49Å; Y593-N598 PolarHBondContact OH-OD1 3.44Å; Y593-I599 WeakPolarHBondContact CA-O 3.15Å; Y593-I599 WeakPolarHBondContact CD2-O 3.39Å; Y593-Y600 HydrophobicContact CD2-CD1 4.21Å; Y593-Y600 HydrophobicContact CD2-CD2 4.04Å; Y593-Y600 HydrophobicContact CD2-CE1 4.07Å; Y593-Y600 AromaticContact CD2-CE2 3.9Å; Y593-Y600 HydrophobicContact CD2-CE2 3.9Å; Y593-Y600 HydrophobicContact CD2-CG 4.2Å; Y593-Y600 AromaticContact CD2-CZ 3.9Å; Y593-Y600 HydrophobicContact CE2-CE2 4.45Å; Y593-Y600 HydrophobicContact CG-CD1 4.43Å; Y593-Y600 HydrophobicContact CG-CE1 4.11Å; Y593-W651 HydrophobicContact CE1-CB 4.39Å; Y593-W651 HydrophobicContact CE2-CB 3.62Å; Y593-W651 WeakPolarHBondContact OH-CB 3.42Å; Y593-F799 AromaticContact CD1-CD2 3.83Å; Y593-F799 HydrophobicContact CD1-CD2 3.83Å; Y593-F799 HydrophobicContact CD1-CE2 4.4Å; Y593-F799 HydrophobicContact CD1-CG 4.37Å; Y593-F799 HydrophobicContact CE1-CD2 4.06Å; Y593-W809 CarbonylContact O-C 3.6Å; Y593-S810 PolarHBondContact O-N 3.38Å; Y593-L811 PolarHBondContact N-O 3.48Å; Y593-L811 PolarHBondContact O-N 2.94Å
594	N	96.6	Very high	95.1	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	114.7	175.6	-176.6	-52.3	0	0	0	109.2	A596 L597 N598 I599 F806 T808 W809	N594-A596 WeakPolarHBondContact OD1-CA 3.3Å; N594-A596 WeakPolarHBondContact OD1-CB 3.18Å; N594-A596 PolarHBondContact OD1-N 3.21Å; N594-L597 HydrophobicContact CB-CB 4.34Å; N594-L597 PolarHBondContact OD1-N 3.43Å; N594-N598 VanDerWaalsContact O-CA 3.26Å; N594-N598 WeakPolarHBondContact O-CA 3.32Å; N594-N598 PolarHBondContact O-N 2.95Å; N594-I599 HydrophobicContact CB-CG1 4.3Å; N594-I599 PolarHBondContact N-O 3.41Å; N594-I599 PolarHBondContact O-N 3.46Å; N594-F806 PolarHBondContact ND2-O 3.25Å; N594-T808 PolarHBondContact ND2-O 2.98Å; N594-W809 HydrophobicContact CB-CD2 4.19Å; N594-W809 HydrophobicContact CB-CE3 3.7Å; N594-W809 HydrophobicContact CB-CH2 4.18Å; N594-W809 HydrophobicContact CB-CZ3 3.71Å
595	S	95.3	Very high	94.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-37.2	-178.2	-62.4	0	0	0	0	112	Y593 N598 R663 V672 F799	Y593-S595 WeakPolarHBondContact CE1-OG 3.49Å; S595-N598 PolarHBondContact O-N 3.08Å; S595-R663 PolarHBondContact O-NE 3Å; S595-R663 PolarHBondContact O-NH2 3.35Å; S595-V672 WeakPolarHBondContact O-CG2 3.19Å; S595-F799 WeakPolarHBondContact CB-O 3.45Å; S595-F799 WeakPolarHBondContact OG-CB 3.44Å; S595-F799 PolarHBondContact OG-O 3.39Å
596	A	93.4	Very high	94.2	Very high	13 Å²	13	27.9 Å²	27.9	11%	0.107	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-49	179.9	0	0	0	0	0	112.4	N594 R663 V672 Q801 D805 F806	N594-A596 WeakPolarHBondContact OD1-CA 3.3Å; N594-A596 WeakPolarHBondContact OD1-CB 3.18Å; N594-A596 PolarHBondContact OD1-N 3.21Å; A596-R663 PolarHBondContact O-NH2 3.26Å; A596-V672 HydrophobicContact CB-CG1 4.21Å; A596-Q801 HydrophobicContact CB-CG 4.41Å; A596-D805 VanDerWaalsContact CB-O 3.25Å; A596-D805 WeakPolarHBondContact CB-O 3.33Å; A596-F806 HydrophobicContact CB-CD1 3.94Å; A596-F806 HydrophobicContact CB-CE1 4.23Å
597	L	93	Very high	92.6	Very high	8 Å²	8	30.2 Å²	30.2	4%	0.042	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-18.4	178.2	-60.7	179.8	0	0	0	113.1	N594 I599 L639 I640 F806	N594-L597 HydrophobicContact CB-CB 4.34Å; N594-L597 PolarHBondContact OD1-N 3.43Å; L597-I599 HydrophobicContact CB-CD1 3.91Å; L597-I599 HydrophobicContact CB-CG1 3.83Å; L597-I599 HydrophobicContact CB-CG2 4.41Å; L597-I599 HydrophobicContact CD1-CD1 3.81Å; L597-I599 HydrophobicContact CD1-CG1 4.46Å; L597-L639 HydrophobicContact CD1-CB 4.48Å; L597-L639 HydrophobicContact CD1-CD1 4.11Å; L597-I640 HydrophobicContact CB-CG1 4.39Å; L597-I640 HydrophobicContact CD2-CD1 3.99Å; L597-I640 HydrophobicContact CD2-CG1 4.36Å; L597-F806 HydrophobicContact CD1-CB 4.31Å; L597-F806 HydrophobicContact CD2-CB 4.24Å; L597-F806 HydrophobicContact CD2-CD1 3.52Å; L597-F806 HydrophobicContact CD2-CE1 4.02Å; L597-F806 HydrophobicContact CD2-CG 3.91Å; L597-F806 HydrophobicContact CG-CB 4.34Å; L597-F806 HydrophobicContact CG-CD1 4.03Å; L597-F806 HydrophobicContact CG-CG 4.44Å
598	N	94.9	Very high	90	Very high	22 Å²	22	35.9 Å²	35.9	12%	0.118	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	50.1	-174	-166.8	32.2	0	0	0	112.8	Y593 N594 S595 G650 W651 R663	Y593-N598 PolarHBondContact OH-OD1 3.44Å; N594-N598 VanDerWaalsContact O-CA 3.26Å; N594-N598 WeakPolarHBondContact O-CA 3.32Å; N594-N598 PolarHBondContact O-N 2.95Å; S595-N598 PolarHBondContact O-N 3.08Å; N598-G650 WeakPolarHBondContact O-CA 3.49Å; N598-G650 PolarHBondContact O-N 2.97Å; N598-W651 PolarHBondContact OD1-N 3.45Å; N598-R663 WeakPolarHBondContact OD1-CD 3.07Å
599	I	94.4	Very high	87	Confident	2 Å²	2	41.4 Å²	41.4	1%	0.01	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	150	-177.7	64.9	-179.5	0	0	0	111.4	Y593 N594 L597 L639 I640 A643 Y649 W809	Y593-I599 WeakPolarHBondContact CA-O 3.15Å; Y593-I599 WeakPolarHBondContact CD2-O 3.39Å; N594-I599 HydrophobicContact CB-CG1 4.3Å; N594-I599 PolarHBondContact N-O 3.41Å; N594-I599 PolarHBondContact O-N 3.46Å; L597-I599 HydrophobicContact CB-CD1 3.91Å; L597-I599 HydrophobicContact CB-CG1 3.83Å; L597-I599 HydrophobicContact CB-CG2 4.41Å; L597-I599 HydrophobicContact CD1-CD1 3.81Å; L597-I599 HydrophobicContact CD1-CG1 4.46Å; I599-L639 HydrophobicContact CD1-CB 3.8Å; I599-I640 HydrophobicContact CG2-CG1 4.37Å; I599-A643 HydrophobicContact CB-CB 3.79Å; I599-A643 HydrophobicContact CG2-CB 3.55Å; I599-Y649 HydrophobicContact CG2-CD2 3.73Å; I599-Y649 HydrophobicContact CG2-CE2 4.27Å; I599-W809 HydrophobicContact CD1-CH2 4.22Å; I599-W809 HydrophobicContact CG1-CH2 4.18Å; I599-W809 HydrophobicContact CG1-CZ3 4.39Å
600	Y	95.3	Very high	83.9	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.008	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	157.6	158	-70.4	-89.7	0	0	0	111	L591 R592 Y593 L648 W651 S653 M654 V655 W690	L591-Y600 HydrophobicContact CD1-CD1 3.68Å; L591-Y600 HydrophobicContact CD1-CE1 4.5Å; L591-Y600 HydrophobicContact CD1-CG 4.24Å; L591-Y600 HydrophobicContact CD2-CD1 4.12Å; L591-Y600 HydrophobicContact CD2-CE1 4.13Å; L591-Y600 HydrophobicContact CG-CD1 3.87Å; L591-Y600 HydrophobicContact CG-CE1 4.34Å; R592-Y600 CarbonylContact O-C 3.49Å; R592-Y600 VanDerWaalsContact O-CA 3.24Å; R592-Y600 WeakPolarHBondContact O-CA 3.5Å; Y593-Y600 HydrophobicContact CD2-CD1 4.21Å; Y593-Y600 HydrophobicContact CD2-CD2 4.04Å; Y593-Y600 HydrophobicContact CD2-CE1 4.07Å; Y593-Y600 AromaticContact CD2-CE2 3.9Å; Y593-Y600 HydrophobicContact CD2-CE2 3.9Å; Y593-Y600 HydrophobicContact CD2-CG 4.2Å; Y593-Y600 AromaticContact CD2-CZ 3.9Å; Y593-Y600 HydrophobicContact CE2-CE2 4.45Å; Y593-Y600 HydrophobicContact CG-CD1 4.43Å; Y593-Y600 HydrophobicContact CG-CE1 4.11Å; Y600-L648 PolarHBondContact N-O 3.44Å; Y600-L648 WeakPolarHBondContact O-CB 3.25Å; Y600-W651 WeakPolarHBondContact CE2-O 3.49Å; Y600-W651 PolarHBondContact OH-O 3.19Å; Y600-S653 VanDerWaalsContact CD2-OG 3.26Å; Y600-S653 WeakPolarHBondContact CD2-OG 3.36Å; Y600-M654 HydrophobicContact CD1-CB 4.12Å; Y600-M654 HydrophobicContact CD1-CG 4.19Å; Y600-M654 HydrophobicContact CD2-CB 3.89Å; Y600-M654 HydrophobicContact CD2-CG 3.74Å; Y600-M654 HydrophobicContact CE1-CB 4.1Å; Y600-M654 HydrophobicContact CE2-CB 3.86Å; Y600-M654 HydrophobicContact CE2-CG 4.24Å; Y600-M654 HydrophobicContact CG-CB 4Å; Y600-M654 HydrophobicContact CG-CG 3.7Å; Y600-V655 WeakPolarHBondContact OH-CG2 3.32Å; Y600-W690 AromaticContact CE1-NE1 3.78Å; Y600-W690 AromaticContact CZ-NE1 3.66Å; Y600-W690 PolarHBondContact OH-NE1 3.25Å
601	Q	94.5	Very high	80.4	Confident	40 Å²	40	52.6 Å²	52.6	19%	0.187	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	146.6	165.8	-171	175.6	23.6	0	0	110.3	R592 W809	R592-Q601 HydrophobicContact CG-CB 4.06Å; R592-Q601 WeakPolarHBondContact CG-O 3.47Å; R592-Q601 VanDerWaalsContact CZ-OE1 3.29Å; R592-Q601 PolarHBondContact N-O 3.44Å; R592-Q601 VanDerWaalsContact NE-OE1 3.09Å; R592-Q601 PolarHBondContact O-N 2.9Å; Q601-W809 HydrophobicContact CB-CH2 3.45Å; Q601-W809 VanDerWaalsContact CB-CH2 3.45Å; Q601-W809 HydrophobicContact CB-CZ2 4.2Å; Q601-W809 HydrophobicContact CB-CZ3 3.89Å; Q601-W809 HydrophobicContact CG-CH2 4.46Å
602	R	94.3	Very high	77	Confident	31 Å²	31	60.4 Å²	60.4	12%	0.117	32%	0.319	C	S	.	.			trans	-119.4	93.2	170.7	-65.5	170.6	68.9	167.4	8.2	109.1	T578 E583 H590 L591 Y604 Y605	T578-R602 PolarHBondContact O-NH2 2.92Å; E583-R602 VanDerWaalsContact CD-NH2 3.28Å; E583-R602 IonicContact OE1-CZ 3.46Å; E583-R602 IonicContact OE1-NE 2.8Å; E583-R602 PolarHBondContact OE1-NE 3.38Å; E583-R602 IonicContact OE1-NH2 3.71Å; E583-R602 PolarHBondContact OE1-NH2 3.2Å; E583-R602 VanDerWaalsContact OE1-NH2 3.13Å; E583-R602 IonicContact OE2-CZ 3.33Å; E583-R602 IonicContact OE2-NE 3.54Å; E583-R602 IonicContact OE2-NH2 2.88Å; E583-R602 PolarHBondContact OE2-NH2 3.06Å; H590-R602 WeakPolarHBondContact O-CA 3.16Å; L591-R602 HydrophobicContact CD1-CG 3.89Å; R602-Y604 PolarHBondContact O-N 2.89Å; R602-Y604 VanDerWaalsContact O-N 3.11Å; R602-Y605 HydrophobicContact CB-CG 4.39Å; R602-Y605 VanDerWaalsContact O-CB 3.31Å; R602-Y605 WeakPolarHBondContact O-CB 3.31Å; R602-Y605 PolarHBondContact O-N 3.47Å
603	P	93	Very high	73.7	Confident	55 Å²	55	62.2 Å²	62.2	36%	0.357	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-24.3	-169.9	-28.9	37.7	0	0	0	115.7	H590 R592	H590-P603 VanDerWaalsContact O-CD 3.24Å; H590-P603 WeakPolarHBondContact O-CD 3.22Å; R592-P603 HydrophobicContact CG-CG 4.43Å
604	Y	91.5	Very high	70.3	Confident	92 Å²	92	71.6 Å²	71.6	36%	0.361	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	2.7	179.9	-61.7	-84.7	0	0	0	113.2	A582 I588 H590 R602	A582-Y604 WeakPolarHBondContact CB-O 2.88Å; I588-Y604 HydrophobicContact CB-CD2 4.21Å; I588-Y604 HydrophobicContact CB-CE2 4.13Å; I588-Y604 HydrophobicContact CD1-CE1 4.42Å; I588-Y604 HydrophobicContact CD1-CE2 4.4Å; I588-Y604 HydrophobicContact CG2-CD2 3.82Å; I588-Y604 HydrophobicContact CG2-CE2 3.59Å; H590-Y604 HydrophobicContact CB-CD2 3.94Å; H590-Y604 HydrophobicContact CB-CE2 4.11Å; R602-Y604 PolarHBondContact O-N 2.89Å; R602-Y604 VanDerWaalsContact O-N 3.11Å
605	Y	87.7	Confident	66.9	Low	90 Å²	90	77.6 Å²	77.6	35%	0.353	42%	0.424	S	S	.	.			trans	-75.9	131.9	-179.6	-178.4	-92.5	0	0	0	111.2	R602 N607	R602-Y605 HydrophobicContact CB-CG 4.39Å; R602-Y605 VanDerWaalsContact O-CB 3.31Å; R602-Y605 WeakPolarHBondContact O-CB 3.31Å; R602-Y605 PolarHBondContact O-N 3.47Å; Y605-N607 HydrophobicContact CE1-CB 4.12Å
606	S	81.3	Confident	63.6	Low	60 Å²	60	84.8 Å²	84.8	42%	0.42	46%	0.463	S	S	.	.			trans	-139.1	133.2	168.8	-175.9	0	0	0	0	109.5
607	N	61.8	Low	60.4	Low	98 Å²	98	90.1 Å²	90.1	52%	0.524	49%	0.494	S	S	.	.			trans	-94.9	99.2	177.3	-148.5	8	0	0	0	108.3	Y605 N609	Y605-N607 HydrophobicContact CE1-CB 4.12Å; N607-N609 PolarHBondContact O-N 2.69Å; N607-N609 VanDerWaalsContact O-N 3.1Å
608	N	40.2	Very low	57.3	Low	139 Å²	139	97.3 Å²	97.3	74%	0.743	53%	0.532	S	S	*	.			trans	-74.3	9.5	178.5	-86.3	-1.7	0	0	0	114
609	N	33.5	Very low	54.1	Low	146 Å²	146	103 Å²	103	78%	0.781	57%	0.567	S	S	*	*			trans	-110.9	75.7	171.8	-77.2	-13.9	0	0	0	110.4	N607	N607-N609 PolarHBondContact O-N 2.69Å; N607-N609 VanDerWaalsContact O-N 3.1Å
610	S	31.9	Very low	50.8	Low	93 Å²	93	109.4 Å²	109.4	65%	0.65	60%	0.601	S	S	*	*			trans	-137.7	62.3	163.4	69.3	0	0	0	0	110.5
611	N	25.1	Very low	47.4	Very low	159 Å²	159	116.5 Å²	116.5	85%	0.85	64%	0.639	S	S	*	*	S	Bend	trans	-85.8	118.2	146	-80.2	-20.5	0	0	0	105.8
612	N	26	Very low	44.1	Very low	164 Å²	164	121.3 Å²	121.3	88%	0.877	66%	0.657	S	S	*	*			trans	91.9	76.9	-179.8	-52.8	-24.4	0	0	0	116.3
613	A	28	Very low	40.7	Very low	93 Å²	93	128.3 Å²	128.3	77%	0.769	69%	0.69	S	S	*	*			trans	-139.1	95.9	145.4	0	0	0	0	0	107.7
614	K	24.9	Very low	37.5	Very low	196 Å²	196	128.8 Å²	128.8	85%	0.852	70%	0.695	S	S	*	*			trans	-62.5	138.6	168.4	-82.2	179.7	174.9	178	0	108.4	D616	K614-D616 PolarHBondContact O-N 3.13Å
615	T	24.2	Very low	34.4	Very low	127 Å²	127	128.4 Å²	128.4	78%	0.779	71%	0.705	S	S	*	*			trans	-68.5	91.9	174.2	47.6	0	0	0	0	109.9
616	D	26.9	Very low	31.4	Very low	151 Å²	151	130.2 Å²	130.2	81%	0.807	73%	0.726	S	S	*	*			trans	-96.3	97.6	158.5	-77.5	-30.7	0	0	0	108.2	K614 D618	K614-D616 PolarHBondContact O-N 3.13Å; D616-D618 PolarHBondContact O-N 3.4Å
617	T	26.2	Very low	28.9	Very low	125 Å²	125	133 Å²	133	77%	0.767	74%	0.736	S	S	*	*			trans	-66.2	102.5	163.3	36.8	0	0	0	0	108.6
618	D	27	Very low	27.5	Very low	159 Å²	159	131.8 Å²	131.8	85%	0.85	74%	0.735	S	S	*	*			trans	-175.7	70	148.1	-91.3	-20.8	0	0	0	108.9	D616	D616-D618 PolarHBondContact O-N 3.4Å
619	V	29.1	Very low	27.6	Very low	140 Å²	140	130.3 Å²	130.3	85%	0.848	73%	0.733	S	S	*	*			trans	-107.6	93.2	169.6	-176.9	0	0	0	0	108.7	D621	V619-D621 PolarHBondContact O-N 2.92Å
620	L	25.4	Very low	27.7	Very low	138 Å²	138	131.8 Å²	131.8	72%	0.723	73%	0.733	S	S	*	*			trans	-8.7	112.6	158.4	-65.6	162.8	0	0	0	114.8	Y622	L620-Y622 PolarHBondContact O-N 3.32Å
621	D	23	Very low	28.3	Very low	151 Å²	151	132 Å²	132	81%	0.807	74%	0.74	S	S	*	*			trans	-48.7	107.9	164.9	-98.7	-32.3	0	0	0	110.1	V619 Q623	V619-D621 PolarHBondContact O-N 2.92Å; D621-Q623 PolarHBondContact O-N 2.97Å
622	Y	25	Very low	29.6	Very low	141 Å²	141	127.6 Å²	127.6	55%	0.553	72%	0.716	S	S	*	*			trans	-64.8	94.7	153.1	-142.3	-95.4	0	0	0	104.7	L620 C624	L620-Y622 PolarHBondContact O-N 3.32Å; Y622-C624 PolarHBondContact O-N 2.74Å
623	Q	22.6	Very low	31.5	Very low	177 Å²	177	122.9 Å²	122.9	83%	0.827	69%	0.691	S	S	*	*			trans	-61	83	160.8	-73.3	-173.8	-4.1	0	0	106.4	D621 S625	D621-Q623 PolarHBondContact O-N 2.97Å; Q623-S625 PolarHBondContact O-N 2.91Å; Q623-S625 VanDerWaalsContact O-N 3.1Å
624	C	25.9	Very low	33.8	Very low	66 Å²	66	126.2 Å²	126.2	45%	0.446	69%	0.69	S	S	.	*			trans	-42.2	121.1	152.7	-175.9	0	0	0	0	104.3	Y622 T626	Y622-C624 PolarHBondContact O-N 2.74Å; C624-T626 VanDerWaalsContact C-N 3.31Å; C624-T626 PolarHBondContact O-N 3.47Å
625	S	26.1	Very low	36.5	Very low	84 Å²	84	123.2 Å²	123.2	59%	0.587	68%	0.679	S	S	*	*			trans	-46.1	105.4	174.7	54.4	0	0	0	0	107.2	Q623 N627	Q623-S625 PolarHBondContact O-N 2.91Å; Q623-S625 VanDerWaalsContact O-N 3.1Å; S625-N627 PolarHBondContact O-N 3.34Å
626	T	25.1	Very low	39.3	Very low	128 Å²	128	117.3 Å²	117.3	79%	0.785	64%	0.643	S	S	*	*	S	Bend	trans	-72.1	81.4	176.5	39.3	0	0	0	0	105	C624	C624-T626 VanDerWaalsContact C-N 3.31Å; C624-T626 PolarHBondContact O-N 3.47Å
627	N	29.9	Very low	42	Very low	119 Å²	119	112.8 Å²	112.8	64%	0.636	62%	0.621	S	S	*	*			trans	-171.6	55.8	163	-84.2	-19.9	0	0	0	108.4	S625	S625-N627 PolarHBondContact O-N 3.34Å
628	S	31.6	Very low	44.9	Very low	72 Å²	72	113.3 Å²	113.3	50%	0.503	61%	0.613	S	S	.	*	S	Bend	trans	-109.6	133.3	140.1	175.5	0	0	0	0	106	K630	S628-K630 PolarHBondContact O-N 3.36Å
629	P	42.3	Very low	47.8	Very low	107 Å²	107	107.7 Å²	107.7	70%	0.695	58%	0.582	S	S	*	*	S	Bend	trans	-77.7	76.8	-173	31.7	-32.6	0	0	0	110.6
630	K	36.7	Very low	50.5	Low	178 Å²	178	102.1 Å²	102.1	77%	0.774	55%	0.547	S	S	*	.	S	Bend	trans	169.6	125.6	146.8	-94.4	165.2	-173.5	-175.4	0	106.8	S628 I632	S628-K630 PolarHBondContact O-N 3.36Å; K630-I632 PolarHBondContact O-N 2.87Å
631	A	42.7	Very low	53.2	Low	97 Å²	97	99.8 Å²	99.8	80%	0.802	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-49.4	126.7	177.8	0	0	0	0	0	110.2	N633	A631-N633 PolarHBondContact O-N 3.2Å; A631-N633 VanDerWaalsContact O-N 3.12Å
632	I	52.2	Low	56.2	Low	66 Å²	66	96.5 Å²	96.5	34%	0.338	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-51.5	120.4	164.9	-64.2	173.7	0	0	0	105.9	K630 F806	K630-I632 PolarHBondContact O-N 2.87Å; I632-F806 HydrophobicContact CG1-CZ 4.42Å
633	N	67.8	Low	59	Low	66 Å²	66	90 Å²	90	35%	0.353	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-65.1	155	-178.3	65.6	14.5	0	0	0	110	A631 E635 S636 T637	A631-N633 PolarHBondContact O-N 3.2Å; A631-N633 VanDerWaalsContact O-N 3.12Å; N633-E635 PolarHBondContact O-N 3.27Å; N633-S636 PolarHBondContact O-N 3.06Å; N633-S636 VanDerWaalsContact O-N 3.12Å; N633-S636 WeakPolarHBondContact OD1-CB 3.09Å; N633-S636 PolarHBondContact OD1-N 3.42Å; N633-S636 PolarHBondContact OD1-OG 3.41Å; N633-T637 PolarHBondContact O-N 3.1Å; N633-T637 PolarHBondContact O-OG1 2.83Å
634	Q	76	Confident	61.9	Low	163 Å²	163	86.7 Å²	86.7	76%	0.762	47%	0.47	S	S	*	.	H	α-helix	trans	-54.9	-27.7	-177.6	-77.3	-177.3	-12.9	0	0	113.3	K638	Q634-K638 WeakPolarHBondContact O-CG 3.34Å; Q634-K638 PolarHBondContact O-N 3.29Å
635	E	81.8	Confident	64.4	Low	132 Å²	132	91.5 Å²	91.5	62%	0.617	48%	0.484	S	S	*	.	H	α-helix	trans	-71.1	-45.3	179.1	-169.7	171.1	-173.4	0	0	112.5	N633 T637 K638 L639	N633-E635 PolarHBondContact O-N 3.27Å; E635-T637 VanDerWaalsContact C-N 3.31Å; E635-T637 PolarHBondContact O-N 3.4Å; E635-K638 WeakPolarHBondContact O-CB 3.27Å; E635-K638 PolarHBondContact O-N 3.26Å; E635-L639 WeakPolarHBondContact O-CG 3.44Å; E635-L639 PolarHBondContact O-N 3.1Å
636	S	82.8	Confident	66.9	Low	3 Å²	3	90.6 Å²	90.6	2%	0.021	48%	0.475	C	S	.	.	H	α-helix	trans	-62.8	-38.7	176.6	-63.8	0	0	0	0	112	N633 L639 I640 F806	N633-S636 PolarHBondContact O-N 3.06Å; N633-S636 VanDerWaalsContact O-N 3.12Å; N633-S636 WeakPolarHBondContact OD1-CB 3.09Å; N633-S636 PolarHBondContact OD1-N 3.42Å; N633-S636 PolarHBondContact OD1-OG 3.41Å; S636-L639 PolarHBondContact O-N 3.28Å; S636-I640 WeakPolarHBondContact O-CG1 3.42Å; S636-I640 PolarHBondContact O-N 2.86Å; S636-F806 WeakPolarHBondContact OG-CB 3.46Å; S636-F806 WeakPolarHBondContact OG-CD2 3.49Å
637	T	82.3	Confident	69.6	Low	56 Å²	56	86.5 Å²	86.5	34%	0.344	46%	0.458	S	S	.	.	H	α-helix	trans	-60.9	-45.2	174.5	-52.9	0	0	0	0	111.2	N633 E635 L639 I640 E641	N633-T637 PolarHBondContact O-N 3.1Å; N633-T637 PolarHBondContact O-OG1 2.83Å; E635-T637 VanDerWaalsContact C-N 3.31Å; E635-T637 PolarHBondContact O-N 3.4Å; T637-L639 VanDerWaalsContact C-N 3.33Å; T637-L639 PolarHBondContact O-N 3.23Å; T637-I640 PolarHBondContact O-N 3.48Å; T637-E641 WeakPolarHBondContact O-CG 3.08Å; T637-E641 PolarHBondContact O-N 2.98Å
638	K	87.2	Confident	72.3	Confident	137 Å²	137	81.7 Å²	81.7	60%	0.596	43%	0.433	S	S	*	.	H	α-helix	trans	-61.7	-39.8	175.4	-73.3	174.1	-178.9	179.9	0	112.4	Q634 E635 E641 N642	Q634-K638 WeakPolarHBondContact O-CG 3.34Å; Q634-K638 PolarHBondContact O-N 3.29Å; E635-K638 WeakPolarHBondContact O-CB 3.27Å; E635-K638 PolarHBondContact O-N 3.26Å; K638-E641 PolarHBondContact O-N 2.78Å; K638-N642 VanDerWaalsContact O-CB 3.28Å; K638-N642 WeakPolarHBondContact O-CB 3.11Å; K638-N642 PolarHBondContact O-N 3.09Å
639	L	89.2	Confident	74.9	Confident	40 Å²	40	82.9 Å²	82.9	21%	0.209	43%	0.427	C	S	.	.	H	α-helix	trans	-62	-45.5	175.9	-72.6	173.4	0	0	0	111.5	L597 I599 E635 S636 T637 N642 A643	L597-L639 HydrophobicContact CD1-CB 4.48Å; L597-L639 HydrophobicContact CD1-CD1 4.11Å; I599-L639 HydrophobicContact CD1-CB 3.8Å; E635-L639 WeakPolarHBondContact O-CG 3.44Å; E635-L639 PolarHBondContact O-N 3.1Å; S636-L639 PolarHBondContact O-N 3.28Å; T637-L639 VanDerWaalsContact C-N 3.33Å; T637-L639 PolarHBondContact O-N 3.23Å; L639-N642 PolarHBondContact O-N 2.91Å; L639-A643 WeakPolarHBondContact O-CB 3.45Å; L639-A643 PolarHBondContact O-N 3Å
640	I	84.1	Confident	77.1	Confident	23 Å²	23	78.1 Å²	78.1	12%	0.118	40%	0.397	C	S	.	.	H	α-helix	trans	-63.2	-46.1	177.4	-69.1	166.3	0	0	0	111	L597 I599 S636 T637 A643 R644 Y649	L597-I640 HydrophobicContact CB-CG1 4.39Å; L597-I640 HydrophobicContact CD2-CD1 3.99Å; L597-I640 HydrophobicContact CD2-CG1 4.36Å; I599-I640 HydrophobicContact CG2-CG1 4.37Å; S636-I640 WeakPolarHBondContact O-CG1 3.42Å; S636-I640 PolarHBondContact O-N 2.86Å; T637-I640 PolarHBondContact O-N 3.48Å; I640-A643 PolarHBondContact O-N 2.81Å; I640-R644 WeakPolarHBondContact O-CG 3.45Å; I640-R644 PolarHBondContact O-N 2.95Å; I640-Y649 HydrophobicContact CG2-CD2 4.09Å; I640-Y649 HydrophobicContact CG2-CE2 3.89Å
641	E	83.3	Confident	79.8	Confident	90 Å²	90	70 Å²	70	42%	0.421	36%	0.361	S	S	.	.	H	α-helix	trans	-61.1	-45.3	177.6	-76.6	175.1	-164.9	0	0	112	T637 K638 A643 R644 K645	T637-E641 WeakPolarHBondContact O-CG 3.08Å; T637-E641 PolarHBondContact O-N 2.98Å; K638-E641 PolarHBondContact O-N 2.78Å; E641-A643 VanDerWaalsContact C-N 3.35Å; E641-R644 PolarHBondContact O-N 3.31Å; E641-K645 WeakPolarHBondContact O-CG 3.17Å; E641-K645 PolarHBondContact O-N 3.48Å
642	N	85.2	Confident	82	Confident	82 Å²	82	67.7 Å²	67.7	44%	0.439	33%	0.334	S	S	.	.	H	α-helix	trans	-63.4	-42.2	177	-173.7	54.6	0	0	0	111.6	K638 L639 R644 K645 T646	K638-N642 VanDerWaalsContact O-CB 3.28Å; K638-N642 WeakPolarHBondContact O-CB 3.11Å; K638-N642 PolarHBondContact O-N 3.09Å; L639-N642 PolarHBondContact O-N 2.91Å; N642-R644 VanDerWaalsContact C-N 3.33Å; N642-R644 PolarHBondContact O-N 3.04Å; N642-K645 PolarHBondContact O-N 3.11Å; N642-T646 WeakPolarHBondContact O-CB 3.37Å; N642-T646 WeakPolarHBondContact O-CG2 3.03Å; N642-T646 PolarHBondContact O-N 2.89Å; N642-T646 PolarHBondContact O-OG1 3.3Å
643	A	84.9	Confident	83.5	Confident	3 Å²	3	65.9 Å²	65.9	3%	0.025	33%	0.327	C	S	.	.	H	α-helix	trans	-60.9	-41.7	175.8	0	0	0	0	0	111.6	I599 L639 I640 E641 T646 G647 L648 Y649	I599-A643 HydrophobicContact CB-CB 3.79Å; I599-A643 HydrophobicContact CG2-CB 3.55Å; L639-A643 WeakPolarHBondContact O-CB 3.45Å; L639-A643 PolarHBondContact O-N 3Å; I640-A643 PolarHBondContact O-N 2.81Å; E641-A643 VanDerWaalsContact C-N 3.35Å; A643-T646 PolarHBondContact O-N 2.56Å; A643-T646 PolarHBondContact O-OG1 2.95Å; A643-G647 PolarHBondContact O-N 3.45Å; A643-L648 HydrophobicContact CB-CB 4.23Å; A643-L648 PolarHBondContact O-N 3.36Å; A643-Y649 PolarHBondContact O-N 2.98Å
644	R	82.4	Confident	84.5	Confident	108 Å²	108	63.3 Å²	63.3	41%	0.408	31%	0.313	S	S	.	.	H	α-helix	trans	-62.6	-46.1	174.4	-72.6	174.7	-179.4	156.8	-1.1	112	I640 E641 N642 T646 G647 Y649	I640-R644 WeakPolarHBondContact O-CG 3.45Å; I640-R644 PolarHBondContact O-N 2.95Å; E641-R644 PolarHBondContact O-N 3.31Å; N642-R644 VanDerWaalsContact C-N 3.33Å; N642-R644 PolarHBondContact O-N 3.04Å; R644-T646 PolarHBondContact O-N 2.83Å; R644-G647 PolarHBondContact O-N 2.93Å; R644-Y649 HydrophobicContact CG-CD1 4.41Å; R644-Y649 HydrophobicContact CG-CD2 3.93Å; R644-Y649 HydrophobicContact CG-CG 3.76Å
645	K	78.5	Confident	85.3	Confident	168 Å²	168	55.5 Å²	55.5	73%	0.73	28%	0.277	S	S	*	.	H	α-helix	trans	-62.1	-30.9	178.5	-73.6	176.7	-178.8	177.8	0	113.3	E641 N642	E641-K645 WeakPolarHBondContact O-CG 3.17Å; E641-K645 PolarHBondContact O-N 3.48Å; N642-K645 PolarHBondContact O-N 3.11Å
646	T	79.3	Confident	85.4	Confident	64 Å²	64	51.4 Å²	51.4	39%	0.393	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	4.5	-176.5	54	0	0	0	0	113.7	N642 A643 R644 L648	N642-T646 WeakPolarHBondContact O-CB 3.37Å; N642-T646 WeakPolarHBondContact O-CG2 3.03Å; N642-T646 PolarHBondContact O-N 2.89Å; N642-T646 PolarHBondContact O-OG1 3.3Å; A643-T646 PolarHBondContact O-N 2.56Å; A643-T646 PolarHBondContact O-OG1 2.95Å; R644-T646 PolarHBondContact O-N 2.83Å; T646-L648 VanDerWaalsContact C-N 3.3Å; T646-L648 PolarHBondContact O-N 3.3Å
647	G	80.6	Confident	85.5	Confident	43 Å²	43	53.1 Å²	53.1	44%	0.443	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	71	20.7	-178.8	0	0	0	0	0	114.6	A643 R644 S653	A643-G647 PolarHBondContact O-N 3.45Å; R644-G647 PolarHBondContact O-N 2.93Å; G647-S653 VanDerWaalsContact O-CB 3.28Å; G647-S653 WeakPolarHBondContact O-CB 3.39Å
648	L	87.8	Confident	85.9	Confident	18 Å²	18	52 Å²	52	9%	0.094	25%	0.253	C	S	.	.			trans	-102.7	8.2	-179.5	-60.9	-179.6	0	0	0	113.6	Y600 A643 T646 S653 M654	Y600-L648 PolarHBondContact N-O 3.44Å; Y600-L648 WeakPolarHBondContact O-CB 3.25Å; A643-L648 HydrophobicContact CB-CB 4.23Å; A643-L648 PolarHBondContact O-N 3.36Å; T646-L648 VanDerWaalsContact C-N 3.3Å; T646-L648 PolarHBondContact O-N 3.3Å; L648-S653 PolarHBondContact O-OG 3.28Å; L648-M654 HydrophobicContact CD2-CE 4.38Å; L648-M654 HydrophobicContact CD2-CG 3.72Å; L648-M654 HydrophobicContact CD2-SD 3.35Å; L648-M654 WeakPolarHBondContact CD2-SD 3.34Å
649	Y	86.4	Confident	85.8	Confident	97 Å²	97	46.9 Å²	46.9	38%	0.38	23%	0.23	S	C	.	.	B	Isolated β-bridge	trans	-81.4	135.5	176	-174.9	-95.4	0	0	0	110.7	I599 I640 A643 R644	I599-Y649 HydrophobicContact CG2-CD2 3.73Å; I599-Y649 HydrophobicContact CG2-CE2 4.27Å; I640-Y649 HydrophobicContact CG2-CD2 4.09Å; I640-Y649 HydrophobicContact CG2-CE2 3.89Å; A643-Y649 PolarHBondContact O-N 2.98Å; R644-Y649 HydrophobicContact CG-CD1 4.41Å; R644-Y649 HydrophobicContact CG-CD2 3.93Å; R644-Y649 HydrophobicContact CG-CG 3.76Å
650	G	88.6	Confident	85.8	Confident	6 Å²	6	45.4 Å²	45.4	6%	0.062	22%	0.222	C	C	.	.	S	Bend	trans	90.8	137.7	-177	0	0	0	0	0	113	N598 Q652 S653	N598-G650 WeakPolarHBondContact O-CA 3.49Å; N598-G650 PolarHBondContact O-N 2.97Å; G650-Q652 PolarHBondContact O-N 2.99Å; G650-Q652 VanDerWaalsContact O-N 3.13Å; G650-S653 WeakPolarHBondContact O-CB 3.19Å; G650-S653 PolarHBondContact O-N 2.95Å; G650-S653 VanDerWaalsContact O-N 3.1Å; G650-S653 PolarHBondContact O-OG 3.46Å
651	W	92.9	Very high	86.1	Confident	9 Å²	9	44.4 Å²	44.4	3%	0.034	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-19.3	-179.7	71.5	-93.3	0	0	0	114.1	Y593 N598 Y600 V655 W658 I661 L674 I688	Y593-W651 HydrophobicContact CE1-CB 4.39Å; Y593-W651 HydrophobicContact CE2-CB 3.62Å; Y593-W651 WeakPolarHBondContact OH-CB 3.42Å; N598-W651 PolarHBondContact OD1-N 3.45Å; Y600-W651 WeakPolarHBondContact CE2-O 3.49Å; Y600-W651 PolarHBondContact OH-O 3.19Å; W651-V655 HydrophobicContact CE3-CG2 4.21Å; W651-V655 HydrophobicContact CZ3-CG2 4.43Å; W651-V655 WeakPolarHBondContact O-CG2 3.47Å; W651-W658 HydrophobicContact CH2-CB 4.17Å; W651-W658 AromaticContact CH2-CD1 3.44Å; W651-W658 VanDerWaalsContact CH2-CD1 3.44Å; W651-W658 HydrophobicContact CH2-CD2 4.06Å; W651-W658 AromaticContact CH2-CG 3.64Å; W651-W658 HydrophobicContact CH2-CG 3.64Å; W651-W658 AromaticContact CH2-NE1 3.69Å; W651-W658 HydrophobicContact CZ3-CB 4.13Å; W651-W658 HydrophobicContact CZ3-CD2 4.25Å; W651-W658 AromaticContact CZ3-CG 3.93Å; W651-W658 HydrophobicContact CZ3-CG 3.93Å; W651-I661 HydrophobicContact CE3-CG2 4.45Å; W651-I661 HydrophobicContact CH2-CB 3.95Å; W651-I661 HydrophobicContact CH2-CG2 3.59Å; W651-I661 WeakPolarHBondContact CH2-O 3.25Å; W651-I661 HydrophobicContact CZ2-CG2 4.09Å; W651-I661 VanDerWaalsContact CZ2-O 3.27Å; W651-I661 WeakPolarHBondContact CZ2-O 3.49Å; W651-I661 HydrophobicContact CZ3-CB 4.43Å; W651-I661 HydrophobicContact CZ3-CG2 3.81Å; W651-L674 HydrophobicContact CB-CD1 4.28Å; W651-L674 HydrophobicContact CB-CD2 4.05Å; W651-L674 HydrophobicContact CD2-CD1 4.18Å; W651-L674 HydrophobicContact CD2-CD2 3.96Å; W651-L674 HydrophobicContact CE3-CD1 4Å; W651-L674 HydrophobicContact CG-CD1 4.33Å; W651-L674 HydrophobicContact CG-CD2 3.71Å; W651-I688 HydrophobicContact CE3-CD1 3.71Å; W651-I688 HydrophobicContact CZ3-CD1 3.68Å; W651-I688 HydrophobicContact CZ3-CG1 4.37Å
652	Q	88.5	Confident	86.6	Confident	47 Å²	47	42.5 Å²	42.5	22%	0.22	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-21.3	177.5	-57	93	-33.4	0	0	113.4	G650 M654 V655 W658	G650-Q652 PolarHBondContact O-N 2.99Å; G650-Q652 VanDerWaalsContact O-N 3.13Å; Q652-M654 PolarHBondContact O-N 3.16Å; Q652-M654 VanDerWaalsContact O-N 3.1Å; Q652-V655 PolarHBondContact O-N 3.44Å; Q652-W658 HydrophobicContact CB-CH2 3.85Å; Q652-W658 HydrophobicContact CB-CZ2 4.21Å; Q652-W658 HydrophobicContact CB-CZ3 4.11Å; Q652-W658 HydrophobicContact CG-CH2 4Å; Q652-W658 HydrophobicContact CG-CZ2 3.82Å; Q652-W658 HydrophobicContact CG-CZ3 4.46Å
653	S	84.4	Confident	87	Confident	28 Å²	28	41.7 Å²	41.7	20%	0.196	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-30.1	-167.4	53.9	0	0	0	0	115.1	Y600 G647 L648 G650	Y600-S653 VanDerWaalsContact CD2-OG 3.26Å; Y600-S653 WeakPolarHBondContact CD2-OG 3.36Å; G647-S653 VanDerWaalsContact O-CB 3.28Å; G647-S653 WeakPolarHBondContact O-CB 3.39Å; L648-S653 PolarHBondContact O-OG 3.28Å; G650-S653 WeakPolarHBondContact O-CB 3.19Å; G650-S653 PolarHBondContact O-N 2.95Å; G650-S653 VanDerWaalsContact O-N 3.1Å; G650-S653 PolarHBondContact O-OG 3.46Å
654	M	89.5	Confident	87.3	Confident	12 Å²	12	43 Å²	43	6%	0.059	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.3	6	179.6	-63.9	-62.1	-70	0	0	113.2	I577 L591 Y600 L648 Q652	I577-M654 HydrophobicContact CB-CE 4.37Å; I577-M654 HydrophobicContact CD1-CB 4.43Å; I577-M654 HydrophobicContact CD1-CE 3.65Å; I577-M654 HydrophobicContact CG1-CE 3.65Å; I577-M654 HydrophobicContact CG2-CE 3.85Å; L591-M654 HydrophobicContact CD1-CB 4.47Å; L591-M654 HydrophobicContact CD1-CE 4.05Å; L591-M654 HydrophobicContact CD1-CG 4.18Å; L591-M654 HydrophobicContact CD2-CB 4.46Å; Y600-M654 HydrophobicContact CD1-CB 4.12Å; Y600-M654 HydrophobicContact CD1-CG 4.19Å; Y600-M654 HydrophobicContact CD2-CB 3.89Å; Y600-M654 HydrophobicContact CD2-CG 3.74Å; Y600-M654 HydrophobicContact CE1-CB 4.1Å; Y600-M654 HydrophobicContact CE2-CB 3.86Å; Y600-M654 HydrophobicContact CE2-CG 4.24Å; Y600-M654 HydrophobicContact CG-CB 4Å; Y600-M654 HydrophobicContact CG-CG 3.7Å; L648-M654 HydrophobicContact CD2-CE 4.38Å; L648-M654 HydrophobicContact CD2-CG 3.72Å; L648-M654 HydrophobicContact CD2-SD 3.35Å; L648-M654 WeakPolarHBondContact CD2-SD 3.34Å; Q652-M654 PolarHBondContact O-N 3.16Å; Q652-M654 VanDerWaalsContact O-N 3.1Å
655	V	91.1	Very high	87.6	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.2	C	C	.	.			trans	-90.3	124.6	-176.9	176.2	0	0	0	0	109.1	S573 Y600 W651 Q652 Q657 W658 I688 I689 W690	S573-V655 PolarHBondContact OG-O 3.18Å; Y600-V655 WeakPolarHBondContact OH-CG2 3.32Å; W651-V655 HydrophobicContact CE3-CG2 4.21Å; W651-V655 HydrophobicContact CZ3-CG2 4.43Å; W651-V655 WeakPolarHBondContact O-CG2 3.47Å; Q652-V655 PolarHBondContact O-N 3.44Å; V655-Q657 VanDerWaalsContact CG1-O 3.24Å; V655-Q657 WeakPolarHBondContact CG1-O 3.4Å; V655-W658 HydrophobicContact CB-CE3 4.11Å; V655-W658 HydrophobicContact CB-CZ3 4.5Å; V655-W658 HydrophobicContact CG1-CB 4.14Å; V655-W658 HydrophobicContact CG1-CD2 4.4Å; V655-W658 HydrophobicContact CG1-CE3 3.63Å; V655-W658 HydrophobicContact CG1-CZ3 4.44Å; V655-I688 HydrophobicContact CB-CG1 4.44Å; V655-I688 HydrophobicContact CG1-CD1 4.36Å; V655-I688 HydrophobicContact CG1-CG1 3.65Å; V655-I688 HydrophobicContact CG2-CD1 3.69Å; V655-I688 HydrophobicContact CG2-CG1 3.81Å; V655-I689 WeakPolarHBondContact CG1-O 3.25Å; V655-W690 HydrophobicContact CG2-CZ2 4.18Å
656	Y	85.2	Confident	87.9	Confident	45 Å²	45	33 Å²	33	18%	0.176	17%	0.168	C	C	.	.	S	Bend	trans	-61.7	-56.3	175.5	176	-105	0	0	0	110.7	G572 S573 K574 C575 I576 I689 M691	G572-Y656 CarbonylContact C-O 3.49Å; G572-Y656 WeakPolarHBondContact CA-O 3.47Å; S573-Y656 PolarHBondContact N-O 2.92Å; K574-Y656 VanDerWaalsContact C-CD2 3.48Å; K574-Y656 WeakPolarHBondContact CA-O 3.24Å; K574-Y656 HydrophobicContact CB-CD2 4.4Å; K574-Y656 HydrophobicContact CB-CE2 3.99Å; K574-Y656 HydrophobicContact CG-CE2 4.44Å; K574-Y656 PolarHBondContact N-O 3.18Å; C575-Y656 WeakPolarHBondContact O-CA 3.29Å; C575-Y656 WeakPolarHBondContact O-CB 3.46Å; I576-Y656 HydrophobicContact CD1-CE2 4.25Å; I576-Y656 HydrophobicContact CG1-CD2 3.82Å; I576-Y656 HydrophobicContact CG1-CE2 3.81Å; Y656-I689 WeakPolarHBondContact CB-O 3.41Å; Y656-I689 HydrophobicContact CD1-CG2 4.17Å; Y656-I689 PolarHBondContact N-O 3.19Å; Y656-M691 HydrophobicContact CD1-CE 4.21Å; Y656-M691 HydrophobicContact CD1-CG 4.36Å; Y656-M691 HydrophobicContact CD1-SD 3.73Å; Y656-M691 HydrophobicContact CD2-SD 3.91Å; Y656-M691 HydrophobicContact CE1-CE 4.09Å; Y656-M691 HydrophobicContact CE1-SD 3.81Å; Y656-M691 HydrophobicContact CE2-SD 3.99Å; Y656-M691 HydrophobicContact CG-CG 4.16Å; Y656-M691 HydrophobicContact CG-SD 3.79Å
657	Q	84.5	Confident	88	Confident	40 Å²	40	33.3 Å²	33.3	19%	0.187	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	150.2	179.6	-76	177.1	-8.3	0	0	111.5	L570 K571 V655 I688 I689	L570-Q657 HydrophobicContact CB-CB 4.4Å; L570-Q657 HydrophobicContact CB-CG 4.46Å; L570-Q657 HydrophobicContact CD2-CB 4.19Å; K571-Q657 CarbonylContact O-C 3.56Å; K571-Q657 VanDerWaalsContact O-CA 3.24Å; K571-Q657 WeakPolarHBondContact O-CA 3.39Å; V655-Q657 VanDerWaalsContact CG1-O 3.24Å; V655-Q657 WeakPolarHBondContact CG1-O 3.4Å; Q657-I688 CarbonylContact O-C 3.6Å; Q657-I689 HydrophobicContact CB-CD1 4.41Å; Q657-I689 PolarHBondContact N-O 2.94Å; Q657-I689 PolarHBondContact O-N 3.44Å
658	W	89.8	Confident	87.7	Confident	31 Å²	31	36.8 Å²	36.8	12%	0.117	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	159.1	172.6	68.1	96.1	0	0	0	111.3	L570 K571 W651 Q652 V655 I687	L570-W658 CarbonylContact C-O 3.52Å; K571-W658 HydrophobicContact CB-CD2 4.06Å; K571-W658 HydrophobicContact CB-CG 4.41Å; K571-W658 HydrophobicContact CB-CZ2 3.85Å; K571-W658 PolarHBondContact N-O 3.44Å; K571-W658 PolarHBondContact O-N 2.89Å; W651-W658 HydrophobicContact CH2-CB 4.17Å; W651-W658 AromaticContact CH2-CD1 3.44Å; W651-W658 VanDerWaalsContact CH2-CD1 3.44Å; W651-W658 HydrophobicContact CH2-CD2 4.06Å; W651-W658 AromaticContact CH2-CG 3.64Å; W651-W658 HydrophobicContact CH2-CG 3.64Å; W651-W658 AromaticContact CH2-NE1 3.69Å; W651-W658 HydrophobicContact CZ3-CB 4.13Å; W651-W658 HydrophobicContact CZ3-CD2 4.25Å; W651-W658 AromaticContact CZ3-CG 3.93Å; W651-W658 HydrophobicContact CZ3-CG 3.93Å; Q652-W658 HydrophobicContact CB-CH2 3.85Å; Q652-W658 HydrophobicContact CB-CZ2 4.21Å; Q652-W658 HydrophobicContact CB-CZ3 4.11Å; Q652-W658 HydrophobicContact CG-CH2 4Å; Q652-W658 HydrophobicContact CG-CZ2 3.82Å; Q652-W658 HydrophobicContact CG-CZ3 4.46Å; V655-W658 HydrophobicContact CB-CE3 4.11Å; V655-W658 HydrophobicContact CB-CZ3 4.5Å; V655-W658 HydrophobicContact CG1-CB 4.14Å; V655-W658 HydrophobicContact CG1-CD2 4.4Å; V655-W658 HydrophobicContact CG1-CE3 3.63Å; V655-W658 HydrophobicContact CG1-CZ3 4.44Å; W658-I687 CarbonylContact C-O 3.57Å; W658-I687 WeakPolarHBondContact CA-O 3.43Å; W658-I687 VanDerWaalsContact CB-O 3.25Å; W658-I687 WeakPolarHBondContact CB-O 3.46Å
659	R	86.2	Confident	87.6	Confident	30 Å²	30	44.1 Å²	44.1	11%	0.113	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	146.8	167.2	82.2	-170.3	-180	175	-1.4	108.4	E567 L570 I661 D685 G686 I687	E567-R659 IonicContact OE1-CZ 3.67Å; E567-R659 IonicContact OE1-NH1 2.86Å; E567-R659 PolarHBondContact OE1-NH1 3.07Å; E567-R659 IonicContact OE1-NH2 3.89Å; E567-R659 PolarHBondContact OE1-NH2 2.93Å; E567-R659 IonicContact OE2-NH1 3.5Å; E567-R659 PolarHBondContact OE2-NH1 3.06Å; E567-R659 VanDerWaalsContact OE2-NH1 3.16Å; L570-R659 HydrophobicContact CD2-CB 4.15Å; L570-R659 HydrophobicContact CD2-CG 4.48Å; R659-I661 WeakPolarHBondContact O-CG1 3.38Å; R659-I661 PolarHBondContact O-N 3.41Å; R659-I661 VanDerWaalsContact O-N 3.16Å; R659-D685 WeakPolarHBondContact CG-O 3.31Å; R659-D685 PolarHBondContact NE-O 3.25Å; R659-D685 IonicContact NH2-OD2 2.85Å; R659-D685 PolarHBondContact NH2-OD2 2.84Å; R659-G686 CarbonylContact O-C 3.54Å; R659-G686 WeakPolarHBondContact O-CA 3.28Å; R659-I687 HydrophobicContact CG-CB 3.92Å; R659-I687 HydrophobicContact CG-CG1 3.89Å; R659-I687 PolarHBondContact N-O 3.26Å; R659-I687 VanDerWaalsContact NE-CG1 3.28Å; R659-I687 PolarHBondContact O-N 3.29Å
660	N	88	Confident	87.7	Confident	9 Å²	9	43.4 Å²	43.4	5%	0.048	20%	0.201	C	C	.	.	S	Bend	trans	46.3	47.9	175.3	-169.3	19.6	0	0	0	113.4	R676 E677 S680 E684 D685 G686	N660-R676 WeakPolarHBondContact O-CA 3.24Å; N660-E677 VanDerWaalsContact OD1-CB 3.24Å; N660-E677 WeakPolarHBondContact OD1-CB 3.35Å; N660-E677 WeakPolarHBondContact OD1-CG 3.46Å; N660-E677 PolarHBondContact OD1-N 2.94Å; N660-S680 VanDerWaalsContact CG-OG 3.26Å; N660-S680 WeakPolarHBondContact ND2-CB 3.27Å; N660-S680 PolarHBondContact ND2-OG 2.71Å; N660-S680 PolarHBondContact OD1-OG 2.79Å; N660-E684 PolarHBondContact ND2-O 3.47Å; N660-D685 WeakPolarHBondContact CB-O 3.49Å; N660-G686 WeakPolarHBondContact O-CA 3.34Å
661	I	92.2	Very high	87.8	Confident	3 Å²	3	45.1 Å²	45.1	2%	0.015	21%	0.208	C	C	.	.			trans	-135.5	134.9	176.9	-68.2	-67.3	0	0	0	107.8	W651 R659 L674 A675 I687 L778	W651-I661 HydrophobicContact CE3-CG2 4.45Å; W651-I661 HydrophobicContact CH2-CB 3.95Å; W651-I661 HydrophobicContact CH2-CG2 3.59Å; W651-I661 WeakPolarHBondContact CH2-O 3.25Å; W651-I661 HydrophobicContact CZ2-CG2 4.09Å; W651-I661 VanDerWaalsContact CZ2-O 3.27Å; W651-I661 WeakPolarHBondContact CZ2-O 3.49Å; W651-I661 HydrophobicContact CZ3-CB 4.43Å; W651-I661 HydrophobicContact CZ3-CG2 3.81Å; R659-I661 WeakPolarHBondContact O-CG1 3.38Å; R659-I661 PolarHBondContact O-N 3.41Å; R659-I661 VanDerWaalsContact O-N 3.16Å; I661-L674 HydrophobicContact CG2-CB 4.09Å; I661-L674 HydrophobicContact CG2-CD1 4.42Å; I661-A675 WeakPolarHBondContact CA-O 3.43Å; I661-I687 WeakPolarHBondContact CG1-O 3.36Å; I661-L778 HydrophobicContact CD1-CD1 3.66Å; I661-L778 HydrophobicContact CD1-CG 4.31Å
662	F	91.8	Very high	87.9	Confident	49 Å²	49	44.7 Å²	44.7	22%	0.215	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	164.9	170.6	81.7	-57.3	0	0	0	110.9	K664 L674 A675 R676 E677 W793	F662-K664 HydrophobicContact CE1-CB 4.35Å; F662-K664 HydrophobicContact CE2-CB 3.91Å; F662-K664 HydrophobicContact CE2-CD 3.78Å; F662-K664 HydrophobicContact CE2-CG 4.42Å; F662-K664 HydrophobicContact CZ-CB 3.72Å; F662-K664 HydrophobicContact CZ-CD 3.74Å; F662-K664 HydrophobicContact CZ-CG 4.14Å; F662-L674 VanDerWaalsContact O-CA 3.3Å; F662-L674 WeakPolarHBondContact O-CA 3.27Å; F662-A675 WeakPolarHBondContact CD1-O 3.45Å; F662-A675 HydrophobicContact CE1-CB 4.47Å; F662-A675 PolarHBondContact N-O 2.94Å; F662-A675 PolarHBondContact O-N 2.78Å; F662-R676 WeakPolarHBondContact CE1-O 3.32Å; F662-E677 HydrophobicContact CB-CG 4.26Å; F662-E677 HydrophobicContact CD1-CB 4.44Å; F662-E677 HydrophobicContact CD1-CG 4.24Å; F662-E677 HydrophobicContact CG-CG 4.49Å; F662-W793 HydrophobicContact CE1-CB 3.66Å; F662-W793 HydrophobicContact CE1-CG 4.46Å; F662-W793 HydrophobicContact CZ-CB 3.84Å; F662-W793 HydrophobicContact CZ-CG 4.19Å
663	R	93.5	Very high	88.3	Confident	66 Å²	66	42.5 Å²	42.5	25%	0.249	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	112.3	173.4	-177.5	177.8	172.6	-86.1	9.3	110	S595 A596 N598 V672 Y673 L674	S595-R663 PolarHBondContact O-NE 3Å; S595-R663 PolarHBondContact O-NH2 3.35Å; A596-R663 PolarHBondContact O-NH2 3.26Å; N598-R663 WeakPolarHBondContact OD1-CD 3.07Å; R663-V672 HydrophobicContact CG-CG2 4.03Å; R663-V672 VanDerWaalsContact CZ-CG2 3.43Å; R663-Y673 CarbonylContact C-O 3.47Å; R663-Y673 WeakPolarHBondContact CA-O 3.4Å; R663-L674 HydrophobicContact CB-CD2 3.62Å; R663-L674 HydrophobicContact CG-CD2 4.1Å
664	K	91.8	Very high	88.8	Confident	30 Å²	30	41.1 Å²	41.1	13%	0.13	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	136.2	174.7	-175.1	61.3	165.3	-169.2	0	110	F662 E666 V672 Y673 E678 W793	F662-K664 HydrophobicContact CE1-CB 4.35Å; F662-K664 HydrophobicContact CE2-CB 3.91Å; F662-K664 HydrophobicContact CE2-CD 3.78Å; F662-K664 HydrophobicContact CE2-CG 4.42Å; F662-K664 HydrophobicContact CZ-CB 3.72Å; F662-K664 HydrophobicContact CZ-CD 3.74Å; F662-K664 HydrophobicContact CZ-CG 4.14Å; K664-E666 HydrophobicContact CG-CG 4.29Å; K664-V672 VanDerWaalsContact O-CA 3.31Å; K664-V672 WeakPolarHBondContact O-CA 3.42Å; K664-V672 WeakPolarHBondContact O-CG2 3.32Å; K664-Y673 HydrophobicContact CB-CD2 4.01Å; K664-Y673 HydrophobicContact CB-CE2 3.62Å; K664-Y673 HydrophobicContact CG-CE2 3.89Å; K664-Y673 PolarHBondContact N-O 2.81Å; K664-Y673 PolarHBondContact O-N 3.5Å; K664-Y673 VanDerWaalsContact O-N 3.16Å; K664-E678 IonicContact NZ-OE1 3.78Å; K664-E678 PolarHBondContact NZ-OE1 2.84Å; K664-W793 HydrophobicContact CD-CD2 4.28Å; K664-W793 HydrophobicContact CD-CE3 4.26Å; K664-W793 HydrophobicContact CG-CD2 4.21Å; K664-W793 HydrophobicContact CG-CE3 3.77Å; K664-W793 HydrophobicContact CG-CZ3 4.13Å
665	V	88.9	Confident	89.1	Confident	55 Å²	55	40.6 Å²	40.6	33%	0.333	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	115	168.1	-174.9	0	0	0	0	107.6	L667 V672	V665-L667 HydrophobicContact CG1-CD2 3.78Å; V665-L667 HydrophobicContact CG1-CG 4.37Å; V665-V672 HydrophobicContact CG2-CG2 4.03Å
666	E	85.5	Confident	89.2	Confident	12 Å²	12	40.7 Å²	40.7	6%	0.056	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	98.9	171.4	-64.5	-172.2	-90.5	0	0	108.4	K664 D668 W669 H670 M671 Y673 W793 R800	K664-E666 HydrophobicContact CG-CG 4.29Å; E666-D668 VanDerWaalsContact C-N 3.3Å; E666-D668 PolarHBondContact O-N 3.35Å; E666-W669 HydrophobicContact CB-CB 4.02Å; E666-W669 PolarHBondContact O-N 2.85Å; E666-H670 WeakPolarHBondContact O-CA 3.31Å; E666-H670 PolarHBondContact O-N 3.4Å; E666-M671 HydrophobicContact CB-CB 4.37Å; E666-M671 PolarHBondContact N-O 3.32Å; E666-M671 PolarHBondContact O-N 3.15Å; E666-Y673 HydrophobicContact CG-CE1 4.04Å; E666-Y673 VanDerWaalsContact CG-OH 3.27Å; E666-Y673 WeakPolarHBondContact CG-OH 3.43Å; E666-Y673 WeakPolarHBondContact OE1-CE1 3.28Å; E666-Y673 VanDerWaalsContact OE1-CZ 3.23Å; E666-Y673 PolarHBondContact OE1-OH 2.78Å; E666-W793 HydrophobicContact CG-CH2 4.34Å; E666-W793 HydrophobicContact CG-CZ3 3.85Å; E666-W793 WeakPolarHBondContact OE2-CZ3 3.43Å; E666-R800 IonicContact OE1-CZ 2.71Å; E666-R800 IonicContact OE1-NH1 3.95Å; E666-R800 PolarHBondContact OE1-NH1 3.19Å; E666-R800 VanDerWaalsContact OE1-NH1 3.09Å; E666-R800 IonicContact OE1-NH2 2.74Å
667	L	81.8	Confident	89.3	Confident	69 Å²	69	41.7 Å²	41.7	36%	0.361	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-27	-177.9	-64.3	175.3	0	0	0	113	V299 V665	V299-L667 HydrophobicContact CB-CD1 4.34Å; V299-L667 HydrophobicContact CG1-CD1 4.33Å; V299-L667 HydrophobicContact CG2-CD1 4.28Å; V665-L667 HydrophobicContact CG1-CD2 3.78Å; V665-L667 HydrophobicContact CG1-CG 4.37Å
668	D	73.5	Confident	89.3	Confident	117 Å²	117	43.1 Å²	43.1	63%	0.626	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-36.5	176.3	54.7	-24.9	0	0	0	112.3	E666	E666-D668 VanDerWaalsContact C-N 3.3Å; E666-D668 PolarHBondContact O-N 3.35Å
669	W	86.4	Confident	88.9	Confident	172 Å²	172	44.1 Å²	44.1	65%	0.652	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-5.4	177.5	-65.4	93.7	0	0	0	114.2	E666 M671	E666-W669 HydrophobicContact CB-CB 4.02Å; E666-W669 PolarHBondContact O-N 2.85Å; W669-M671 VanDerWaalsContact C-N 3.28Å; W669-M671 HydrophobicContact CB-CB 4.4Å; W669-M671 HydrophobicContact CB-CG 4.21Å; W669-M671 WeakPolarHBondContact O-CG 3.48Å; W669-M671 PolarHBondContact O-N 3.41Å
670	H	87.4	Confident	88.8	Confident	82 Å²	82	42.9 Å²	42.9	38%	0.38	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	44.1	-173.8	-70	-61.8	0	0	0	112.7	E666 K802 D803	E666-H670 WeakPolarHBondContact O-CA 3.31Å; E666-H670 PolarHBondContact O-N 3.4Å; H670-K802 CarbonylContact O-C 3.58Å; H670-K802 VanDerWaalsContact O-CA 3.25Å; H670-K802 WeakPolarHBondContact O-CA 3.48Å; H670-D803 WeakPolarHBondContact CA-OD2 3.33Å; H670-D803 WeakPolarHBondContact CB-OD1 3.4Å; H670-D803 IonicContact CG-OD1 2.78Å; H670-D803 IonicContact CG-OD2 3.31Å; H670-D803 IonicContact ND1-OD1 3.69Å; H670-D803 IonicContact ND1-OD2 3.51Å; H670-D803 PolarHBondContact ND1-OD2 3Å; H670-D803 PolarHBondContact O-N 3.08Å
671	M	91.7	Very high	88.4	Confident	41 Å²	41	44.8 Å²	44.8	20%	0.202	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	149.1	-174.7	-71.6	-76.6	-178.3	0	0	111.8	E666 W669 Y673 R800 Q801 K802	E666-M671 HydrophobicContact CB-CB 4.37Å; E666-M671 PolarHBondContact N-O 3.32Å; E666-M671 PolarHBondContact O-N 3.15Å; W669-M671 VanDerWaalsContact C-N 3.28Å; W669-M671 HydrophobicContact CB-CB 4.4Å; W669-M671 HydrophobicContact CB-CG 4.21Å; W669-M671 WeakPolarHBondContact O-CG 3.48Å; W669-M671 PolarHBondContact O-N 3.41Å; M671-Y673 HydrophobicContact CB-CD1 4.49Å; M671-Y673 HydrophobicContact CB-CE1 4.19Å; M671-R800 HydrophobicContact SD-CG 4.27Å; M671-Q801 CarbonylContact C-O 3.56Å; M671-Q801 WeakPolarHBondContact CA-O 3.48Å; M671-K802 HydrophobicContact CE-CG 3.89Å; M671-K802 HydrophobicContact SD-CG 4.1Å
672	V	93.8	Very high	87.7	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.006	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	138.9	-179.2	59.8	0	0	0	0	111.3	S595 A596 R663 K664 V665 R800 Q801	S595-V672 WeakPolarHBondContact O-CG2 3.19Å; A596-V672 HydrophobicContact CB-CG1 4.21Å; R663-V672 HydrophobicContact CG-CG2 4.03Å; R663-V672 VanDerWaalsContact CZ-CG2 3.43Å; K664-V672 VanDerWaalsContact O-CA 3.31Å; K664-V672 WeakPolarHBondContact O-CA 3.42Å; K664-V672 WeakPolarHBondContact O-CG2 3.32Å; V665-V672 HydrophobicContact CG2-CG2 4.03Å; V672-R800 WeakPolarHBondContact O-CA 3.41Å; V672-Q801 HydrophobicContact CG1-CB 4.03Å; V672-Q801 WeakPolarHBondContact CG1-O 3.36Å; V672-Q801 PolarHBondContact N-O 2.8Å; V672-Q801 PolarHBondContact O-N 3.18Å
673	Y	96.1	Very high	86.7	Confident	0 Å²	0	46 Å²	46	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.9	169.8	-174.7	38.7	-85.8	0	0	0	111.1	R663 K664 E666 M671 A675 W793 Q797 L798 R800	R663-Y673 CarbonylContact C-O 3.47Å; R663-Y673 WeakPolarHBondContact CA-O 3.4Å; K664-Y673 HydrophobicContact CB-CD2 4.01Å; K664-Y673 HydrophobicContact CB-CE2 3.62Å; K664-Y673 HydrophobicContact CG-CE2 3.89Å; K664-Y673 PolarHBondContact N-O 2.81Å; K664-Y673 PolarHBondContact O-N 3.5Å; K664-Y673 VanDerWaalsContact O-N 3.16Å; E666-Y673 HydrophobicContact CG-CE1 4.04Å; E666-Y673 VanDerWaalsContact CG-OH 3.27Å; E666-Y673 WeakPolarHBondContact CG-OH 3.43Å; E666-Y673 WeakPolarHBondContact OE1-CE1 3.28Å; E666-Y673 VanDerWaalsContact OE1-CZ 3.23Å; E666-Y673 PolarHBondContact OE1-OH 2.78Å; M671-Y673 HydrophobicContact CB-CD1 4.49Å; M671-Y673 HydrophobicContact CB-CE1 4.19Å; Y673-A675 HydrophobicContact CD2-CB 3.84Å; Y673-A675 HydrophobicContact CE2-CB 4.01Å; Y673-W793 HydrophobicContact CE2-CE3 4.13Å; Y673-W793 WeakPolarHBondContact OH-CZ3 3.26Å; Y673-Q797 HydrophobicContact CD2-CB 3.93Å; Y673-Q797 HydrophobicContact CD2-CG 3.59Å; Y673-Q797 HydrophobicContact CE2-CB 4.48Å; Y673-Q797 VanDerWaalsContact CE2-CD 3.45Å; Y673-Q797 HydrophobicContact CE2-CG 3.65Å; Y673-Q797 HydrophobicContact CG-CB 4.13Å; Y673-Q797 HydrophobicContact CG-CG 4.13Å; Y673-Q797 VanDerWaalsContact CZ-NE2 3.34Å; Y673-Q797 PolarHBondContact OH-NE2 3.33Å; Y673-L798 WeakPolarHBondContact CA-O 3.29Å; Y673-L798 WeakPolarHBondContact CB-O 3.19Å; Y673-R800 HydrophobicContact CD1-CB 4.47Å; Y673-R800 HydrophobicContact CD1-CG 3.95Å
674	L	96.5	Very high	86	Confident	0 Å²	0	45 Å²	45	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	133.9	163.4	-54	-174.2	0	0	0	109.9	W651 I661 F662 R663 I688 L798 F799	W651-L674 HydrophobicContact CB-CD1 4.28Å; W651-L674 HydrophobicContact CB-CD2 4.05Å; W651-L674 HydrophobicContact CD2-CD1 4.18Å; W651-L674 HydrophobicContact CD2-CD2 3.96Å; W651-L674 HydrophobicContact CE3-CD1 4Å; W651-L674 HydrophobicContact CG-CD1 4.33Å; W651-L674 HydrophobicContact CG-CD2 3.71Å; I661-L674 HydrophobicContact CG2-CB 4.09Å; I661-L674 HydrophobicContact CG2-CD1 4.42Å; F662-L674 VanDerWaalsContact O-CA 3.3Å; F662-L674 WeakPolarHBondContact O-CA 3.27Å; R663-L674 HydrophobicContact CB-CD2 3.62Å; R663-L674 HydrophobicContact CG-CD2 4.1Å; L674-I688 HydrophobicContact CD1-CD1 3.88Å; L674-L798 HydrophobicContact CB-CB 4.26Å; L674-L798 PolarHBondContact N-O 2.79Å; L674-L798 PolarHBondContact O-N 3.11Å; L674-F799 HydrophobicContact CB-CD2 4.48Å; L674-F799 HydrophobicContact CD1-CD2 3.62Å; L674-F799 HydrophobicContact CD1-CE2 3.76Å; L674-F799 HydrophobicContact CG-CD2 3.92Å
675	A	95.4	Very high	85.6	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	176.1	178.4	0	0	0	0	0	111.3	I661 F662 Y673 W793 Q797	I661-A675 WeakPolarHBondContact CA-O 3.43Å; F662-A675 WeakPolarHBondContact CD1-O 3.45Å; F662-A675 HydrophobicContact CE1-CB 4.47Å; F662-A675 PolarHBondContact N-O 2.94Å; F662-A675 PolarHBondContact O-N 2.78Å; Y673-A675 HydrophobicContact CD2-CB 3.84Å; Y673-A675 HydrophobicContact CE2-CB 4.01Å; A675-W793 HydrophobicContact CB-CB 3.89Å; A675-W793 VanDerWaalsContact CB-O 3.31Å; A675-W793 WeakPolarHBondContact CB-O 3.16Å; A675-Q797 HydrophobicContact CB-CG 4.35Å
676	R	92.1	Very high	85.7	Confident	3 Å²	3	41.8 Å²	41.8	1%	0.011	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-64.5	142.6	172.5	-60.9	-162.4	-55.7	172.1	0.7	111.5	N660 F662 K681 P682 E684 L778 A792 W793	N660-R676 WeakPolarHBondContact O-CA 3.24Å; F662-R676 WeakPolarHBondContact CE1-O 3.32Å; R676-K681 PolarHBondContact NH1-O 3.22Å; R676-P682 PolarHBondContact NH1-O 3.3Å; R676-E684 WeakPolarHBondContact CD-O 3.37Å; R676-E684 PolarHBondContact NH1-O 2.82Å; R676-L778 HydrophobicContact CG-CB 3.8Å; R676-L778 HydrophobicContact CG-CD1 4.34Å; R676-A792 HydrophobicContact CB-CB 4.49Å; R676-W793 WeakPolarHBondContact O-CA 3.4Å; R676-W793 VanDerWaalsContact O-CB 3.26Å; R676-W793 WeakPolarHBondContact O-CB 3.34Å
677	E	88.5	Confident	85.8	Confident	65 Å²	65	41.5 Å²	41.5	30%	0.304	20%	0.203	S	C	.	.	P	Polyproline II helix	trans	-56.7	152.3	-179.1	-61.4	179	-164.1	0	0	111.3	K571 N660 F662 S680	K571-E677 IonicContact NZ-OE1 3.35Å; K571-E677 PolarHBondContact NZ-OE1 2.85Å; N660-E677 VanDerWaalsContact OD1-CB 3.24Å; N660-E677 WeakPolarHBondContact OD1-CB 3.35Å; N660-E677 WeakPolarHBondContact OD1-CG 3.46Å; N660-E677 PolarHBondContact OD1-N 2.94Å; F662-E677 HydrophobicContact CB-CG 4.26Å; F662-E677 HydrophobicContact CD1-CB 4.44Å; F662-E677 HydrophobicContact CD1-CG 4.24Å; F662-E677 HydrophobicContact CG-CG 4.49Å; E677-S680 PolarHBondContact N-OG 3.08Å; E677-S680 WeakPolarHBondContact O-CB 3.42Å; E677-S680 PolarHBondContact O-N 2.85Å; E677-S680 PolarHBondContact O-OG 3.32Å
678	E	85.1	Confident	86.4	Confident	71 Å²	71	38.2 Å²	38.2	33%	0.332	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	144.2	171	-77.4	175.9	-163	0	0	110.4	K664 S680 W793	K664-E678 IonicContact NZ-OE1 3.78Å; K664-E678 PolarHBondContact NZ-OE1 2.84Å; E678-S680 PolarHBondContact O-N 3.3Å; E678-W793 HydrophobicContact CG-CG 4.37Å
679	D	80.3	Confident	87.2	Confident	51 Å²	51	33.2 Å²	33.2	27%	0.273	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.5	15.3	-179.6	-53.8	-49.5	0	0	0	115.3	L550 P788 S789 S790	L550-D679 HydrophobicContact CD2-CB 4.4Å; D679-P788 HydrophobicContact CB-CB 4.2Å; D679-P788 WeakPolarHBondContact O-CA 3.38Å; D679-P788 VanDerWaalsContact O-CB 3.22Å; D679-P788 WeakPolarHBondContact O-CB 3.29Å; D679-S789 WeakPolarHBondContact CA-O 3.02Å; D679-S789 PolarHBondContact N-O 2.98Å; D679-S790 WeakPolarHBondContact OD1-CA 3.41Å; D679-S790 WeakPolarHBondContact OD1-CB 3.42Å
680	S	83.9	Confident	87.6	Confident	4 Å²	4	25 Å²	25	3%	0.028	13%	0.128	C	C	.	.	B	Isolated β-bridge	trans	-61.6	139.9	171.6	-60.1	0	0	0	0	111.7	N660 E677 E678 E684 S789	N660-S680 VanDerWaalsContact CG-OG 3.26Å; N660-S680 WeakPolarHBondContact ND2-CB 3.27Å; N660-S680 PolarHBondContact ND2-OG 2.71Å; N660-S680 PolarHBondContact OD1-OG 2.79Å; E677-S680 PolarHBondContact N-OG 3.08Å; E677-S680 WeakPolarHBondContact O-CB 3.42Å; E677-S680 PolarHBondContact O-N 2.85Å; E677-S680 PolarHBondContact O-OG 3.32Å; E678-S680 PolarHBondContact O-N 3.3Å; S680-E684 WeakPolarHBondContact CA-OE2 3.39Å; S680-S789 PolarHBondContact O-N 2.93Å
681	K	80.5	Confident	87.8	Confident	49 Å²	49	21.8 Å²	21.8	21%	0.213	11%	0.113	C	C	.	.			trans	-75.2	157.2	168.5	-65.6	175.5	-176	171.5	0	110.9	R676 S683 E684 P788	R676-K681 PolarHBondContact NH1-O 3.22Å; K681-S683 PolarHBondContact O-N 2.94Å; K681-E684 HydrophobicContact CB-CG 4.11Å; K681-E684 PolarHBondContact N-OE2 3.36Å; K681-E684 PolarHBondContact O-N 3.15Å; K681-P788 HydrophobicContact CG-CG 4.1Å
682	P	76.3	Confident	87.9	Confident	11 Å²	11	19.9 Å²	19.9	7%	0.071	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-44.9	170.7	-27.9	35.1	0	0	0	112.7	R676 E684 N780 D782	R676-P682 PolarHBondContact NH1-O 3.3Å; P682-E684 PolarHBondContact O-N 3.12Å; P682-E684 VanDerWaalsContact O-N 3.15Å; P682-N780 CarbonylContact C-O 3.54Å; P682-N780 HydrophobicContact CB-CB 4.43Å; P682-D782 VanDerWaalsContact CB-O 3.26Å; P682-D782 WeakPolarHBondContact CB-O 3.43Å; P682-D782 WeakPolarHBondContact CG-O 3.45Å
683	S	71.6	Confident	87.8	Confident	67 Å²	67	20.7 Å²	20.7	47%	0.469	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-9.1	178.6	64.8	0	0	0	0	115.7	K681	K681-S683 PolarHBondContact O-N 2.94Å
684	E	79.3	Confident	87.6	Confident	45 Å²	45	20.8 Å²	20.8	21%	0.21	11%	0.108	C	C	.	.			trans	-99.8	98.1	-178.1	-70.6	170.2	162.5	0	0	110.1	N660 R676 S680 K681 P682	N660-E684 PolarHBondContact ND2-O 3.47Å; R676-E684 WeakPolarHBondContact CD-O 3.37Å; R676-E684 PolarHBondContact NH1-O 2.82Å; S680-E684 WeakPolarHBondContact CA-OE2 3.39Å; K681-E684 HydrophobicContact CB-CG 4.11Å; K681-E684 PolarHBondContact N-OE2 3.36Å; K681-E684 PolarHBondContact O-N 3.15Å; P682-E684 PolarHBondContact O-N 3.12Å; P682-E684 VanDerWaalsContact O-N 3.15Å
685	D	82.7	Confident	87.1	Confident	18 Å²	18	25.7 Å²	25.7	10%	0.096	13%	0.127	C	C	.	.			trans	-71.7	138.8	178	-54.1	-24.9	0	0	0	112.2	R659 N660 I687 R777 L778 W779	R659-D685 WeakPolarHBondContact CG-O 3.31Å; R659-D685 PolarHBondContact NE-O 3.25Å; R659-D685 IonicContact NH2-OD2 2.85Å; R659-D685 PolarHBondContact NH2-OD2 2.84Å; N660-D685 WeakPolarHBondContact CB-O 3.49Å; D685-I687 HydrophobicContact CB-CD1 4.12Å; D685-I687 HydrophobicContact CB-CG1 4.25Å; D685-R777 HydrophobicContact CB-CG 4.34Å; D685-R777 VanDerWaalsContact CG-NE 3.34Å; D685-R777 VanDerWaalsContact CG-NH2 3.32Å; D685-R777 IonicContact OD1-CZ 3.62Å; D685-R777 IonicContact OD1-NE 3.09Å; D685-R777 IonicContact OD1-NH2 3.13Å; D685-R777 PolarHBondContact OD1-NH2 3.41Å; D685-R777 IonicContact OD2-CZ 3.13Å; D685-R777 IonicContact OD2-NE 3.27Å; D685-R777 PolarHBondContact OD2-NE 2.83Å; D685-R777 IonicContact OD2-NH2 3.74Å; D685-R777 PolarHBondContact OD2-NH2 3.36Å; D685-L778 CarbonylContact C-O 3.59Å; D685-L778 VanDerWaalsContact CA-O 3.3Å; D685-L778 WeakPolarHBondContact CA-O 3.29Å; D685-W779 HydrophobicContact CB-CB 4.42Å; D685-W779 WeakPolarHBondContact OD1-CB 3.38Å
686	G	90.1	Very high	86.7	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	125.7	159.1	0	0	0	0	0	110.6	R659 N660 R777 L778	R659-G686 CarbonylContact O-C 3.54Å; R659-G686 WeakPolarHBondContact O-CA 3.28Å; N660-G686 WeakPolarHBondContact O-CA 3.34Å; G686-R777 CarbonylContact O-C 3.56Å; G686-R777 VanDerWaalsContact O-CA 3.26Å; G686-R777 WeakPolarHBondContact O-CA 3.32Å; G686-L778 PolarHBondContact N-O 2.92Å; G686-L778 PolarHBondContact O-N 2.94Å
687	I	88.9	Confident	86.6	Confident	5 Å²	5	34.1 Å²	34.1	3%	0.026	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	140.7	177.4	-54.8	-69.8	0	0	0	109.5	L570 W658 R659 I661 D685 I689 K775 A776 R777	L570-I687 HydrophobicContact CD2-CG2 4.49Å; W658-I687 CarbonylContact C-O 3.57Å; W658-I687 WeakPolarHBondContact CA-O 3.43Å; W658-I687 VanDerWaalsContact CB-O 3.25Å; W658-I687 WeakPolarHBondContact CB-O 3.46Å; R659-I687 HydrophobicContact CG-CB 3.92Å; R659-I687 HydrophobicContact CG-CG1 3.89Å; R659-I687 PolarHBondContact N-O 3.26Å; R659-I687 VanDerWaalsContact NE-CG1 3.28Å; R659-I687 PolarHBondContact O-N 3.29Å; I661-I687 WeakPolarHBondContact CG1-O 3.36Å; D685-I687 HydrophobicContact CB-CD1 4.12Å; D685-I687 HydrophobicContact CB-CG1 4.25Å; I687-I689 HydrophobicContact CG2-CD1 3.97Å; I687-I689 HydrophobicContact CG2-CG1 3.86Å; I687-K775 HydrophobicContact CG2-CG 4.36Å; I687-A776 WeakPolarHBondContact CA-O 3.46Å; I687-R777 HydrophobicContact CD1-CB 3.83Å; I687-R777 HydrophobicContact CD1-CG 3.52Å
688	I	93.3	Very high	86.6	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	134.3	170.4	-174.7	167.4	0	0	0	108.8	W651 V655 Q657 L674 W690 K775 A776 L798	W651-I688 HydrophobicContact CE3-CD1 3.71Å; W651-I688 HydrophobicContact CZ3-CD1 3.68Å; W651-I688 HydrophobicContact CZ3-CG1 4.37Å; V655-I688 HydrophobicContact CB-CG1 4.44Å; V655-I688 HydrophobicContact CG1-CD1 4.36Å; V655-I688 HydrophobicContact CG1-CG1 3.65Å; V655-I688 HydrophobicContact CG2-CD1 3.69Å; V655-I688 HydrophobicContact CG2-CG1 3.81Å; Q657-I688 CarbonylContact O-C 3.6Å; L674-I688 HydrophobicContact CD1-CD1 3.88Å; I688-W690 HydrophobicContact CB-CH2 4.14Å; I688-W690 HydrophobicContact CB-CZ3 4.33Å; I688-W690 HydrophobicContact CD1-CH2 3.39Å; I688-W690 HydrophobicContact CD1-CZ2 3.3Å; I688-W690 HydrophobicContact CD1-CZ3 4.31Å; I688-W690 HydrophobicContact CG1-CE3 4.44Å; I688-W690 HydrophobicContact CG1-CH2 3.49Å; I688-W690 VanDerWaalsContact CG1-CH2 3.49Å; I688-W690 HydrophobicContact CG1-CZ2 3.64Å; I688-W690 HydrophobicContact CG1-CZ3 3.92Å; I688-W690 HydrophobicContact CG2-CH2 3.58Å; I688-W690 HydrophobicContact CG2-CZ3 3.71Å; I688-K775 CarbonylContact O-C 3.47Å; I688-K775 WeakPolarHBondContact O-CA 3.44Å; I688-A776 HydrophobicContact CG2-CB 3.33Å; I688-A776 PolarHBondContact N-O 2.87Å; I688-A776 PolarHBondContact O-N 2.99Å; I688-L798 HydrophobicContact CG2-CD1 3.98Å
689	I	91.2	Very high	87.1	Confident	12 Å²	12	34.7 Å²	34.7	6%	0.062	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	130.7	-173.1	-59.3	169.2	0	0	0	109.6	V655 Y656 Q657 I687 M691 T773 L774 K775	V655-I689 WeakPolarHBondContact CG1-O 3.25Å; Y656-I689 WeakPolarHBondContact CB-O 3.41Å; Y656-I689 HydrophobicContact CD1-CG2 4.17Å; Y656-I689 PolarHBondContact N-O 3.19Å; Q657-I689 HydrophobicContact CB-CD1 4.41Å; Q657-I689 PolarHBondContact N-O 2.94Å; Q657-I689 PolarHBondContact O-N 3.44Å; I687-I689 HydrophobicContact CG2-CD1 3.97Å; I687-I689 HydrophobicContact CG2-CG1 3.86Å; I689-M691 HydrophobicContact CG2-CG 4.26Å; I689-T773 HydrophobicContact CG2-CG2 3.76Å; I689-L774 CarbonylContact C-O 3.56Å; I689-L774 WeakPolarHBondContact CA-O 3.29Å; I689-K775 HydrophobicContact CG1-CB 4.27Å; I689-K775 HydrophobicContact CG1-CD 4.38Å; I689-K775 HydrophobicContact CG1-CG 3.99Å
690	W	94.1	Very high	87.8	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	146.5	166.2	-56.1	-99	0	0	0	109.5	Y600 V655 I688 L721 L774 A776 F799 L811 W813	Y600-W690 AromaticContact CE1-NE1 3.78Å; Y600-W690 AromaticContact CZ-NE1 3.66Å; Y600-W690 PolarHBondContact OH-NE1 3.25Å; V655-W690 HydrophobicContact CG2-CZ2 4.18Å; I688-W690 HydrophobicContact CB-CH2 4.14Å; I688-W690 HydrophobicContact CB-CZ3 4.33Å; I688-W690 HydrophobicContact CD1-CH2 3.39Å; I688-W690 HydrophobicContact CD1-CZ2 3.3Å; I688-W690 HydrophobicContact CD1-CZ3 4.31Å; I688-W690 HydrophobicContact CG1-CE3 4.44Å; I688-W690 HydrophobicContact CG1-CH2 3.49Å; I688-W690 VanDerWaalsContact CG1-CH2 3.49Å; I688-W690 HydrophobicContact CG1-CZ2 3.64Å; I688-W690 HydrophobicContact CG1-CZ3 3.92Å; I688-W690 HydrophobicContact CG2-CH2 3.58Å; I688-W690 HydrophobicContact CG2-CZ3 3.71Å; W690-L721 HydrophobicContact CZ3-CD1 4.33Å; W690-L774 HydrophobicContact CB-CB 4.33Å; W690-L774 HydrophobicContact CE3-CB 4.22Å; W690-L774 HydrophobicContact CE3-CD2 3.97Å; W690-L774 HydrophobicContact CE3-CG 4.01Å; W690-L774 HydrophobicContact CZ3-CD2 4.42Å; W690-L774 HydrophobicContact CZ3-CG 4.48Å; W690-L774 PolarHBondContact N-O 3.01Å; W690-L774 PolarHBondContact O-N 3.02Å; W690-A776 HydrophobicContact CZ3-CB 4.43Å; W690-F799 AromaticContact CH2-CE2 3.87Å; W690-F799 HydrophobicContact CH2-CE2 3.87Å; W690-F799 AromaticContact CH2-CZ 3.72Å; W690-F799 HydrophobicContact CH2-CZ 3.72Å; W690-F799 HydrophobicContact CZ2-CE2 4.15Å; W690-F799 HydrophobicContact CZ2-CZ 4.29Å; W690-L811 HydrophobicContact CH2-CD2 4.33Å; W690-L811 HydrophobicContact CZ2-CD2 4.07Å; W690-W813 HydrophobicContact CB-CE3 4.41Å; W690-W813 HydrophobicContact CB-CZ3 3.74Å
691	M	92.2	Very high	88.2	Confident	14 Å²	14	35.2 Å²	35.2	7%	0.069	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	134.2	177.7	-72.6	-176.1	158.9	0	0	110	I576 I577 Y656 I689 F771 L772 T773	I576-M691 HydrophobicContact CG1-CB 4.48Å; I576-M691 HydrophobicContact CG2-CB 4.35Å; I577-M691 VanDerWaalsContact CB-O 3.29Å; I577-M691 WeakPolarHBondContact CB-O 3.44Å; I577-M691 WeakPolarHBondContact CG1-O 3.44Å; I577-M691 PolarHBondContact N-O 2.88Å; Y656-M691 HydrophobicContact CD1-CE 4.21Å; Y656-M691 HydrophobicContact CD1-CG 4.36Å; Y656-M691 HydrophobicContact CD1-SD 3.73Å; Y656-M691 HydrophobicContact CD2-SD 3.91Å; Y656-M691 HydrophobicContact CE1-CE 4.09Å; Y656-M691 HydrophobicContact CE1-SD 3.81Å; Y656-M691 HydrophobicContact CE2-SD 3.99Å; Y656-M691 HydrophobicContact CG-CG 4.16Å; Y656-M691 HydrophobicContact CG-SD 3.79Å; I689-M691 HydrophobicContact CG2-CG 4.26Å; M691-F771 HydrophobicContact CB-CE1 4.27Å; M691-F771 HydrophobicContact CB-CZ 3.95Å; M691-F771 HydrophobicContact CE-CE1 4.37Å; M691-F771 HydrophobicContact CG-CE1 4.15Å; M691-F771 HydrophobicContact CG-CZ 4.11Å; M691-F771 HydrophobicContact SD-CE1 4.18Å; M691-F771 HydrophobicContact SD-CZ 3.87Å; M691-L772 WeakPolarHBondContact CA-O 3.44Å; M691-T773 HydrophobicContact CE-CG2 4.2Å; M691-T773 HydrophobicContact CG-CG2 4.22Å
692	L	94.2	Very high	88.8	Confident	1 Å²	1	33.3 Å²	33.3	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	123.6	173.9	175.1	69.7	0	0	0	108.9	I577 P579 F589 L694 F771 L772 W813 V815	I577-L692 HydrophobicContact CB-CD1 4.45Å; I577-L692 HydrophobicContact CG2-CD1 4.37Å; I577-L692 CarbonylContact O-C 3.59Å; I577-L692 WeakPolarHBondContact O-CA 3.32Å; I577-L692 WeakPolarHBondContact O-CD1 3.36Å; P579-L692 HydrophobicContact CG-CD1 4.01Å; F589-L692 HydrophobicContact CD1-CD1 3.98Å; F589-L692 HydrophobicContact CD1-CD2 3.65Å; F589-L692 HydrophobicContact CD1-CG 4.44Å; F589-L692 HydrophobicContact CD2-CD1 3.98Å; F589-L692 HydrophobicContact CE1-CD1 3.9Å; F589-L692 HydrophobicContact CE1-CD2 3.94Å; F589-L692 HydrophobicContact CE1-CG 4.4Å; F589-L692 HydrophobicContact CE2-CD1 3.9Å; F589-L692 HydrophobicContact CG-CD1 4Å; F589-L692 HydrophobicContact CG-CD2 4.2Å; F589-L692 HydrophobicContact CZ-CD1 3.85Å; L692-L694 HydrophobicContact CD1-CD2 4.48Å; L692-L694 HydrophobicContact CG-CD2 4.42Å; L692-F771 WeakPolarHBondContact O-CA 3.44Å; L692-L772 HydrophobicContact CB-CB 4.31Å; L692-L772 HydrophobicContact CD2-CD1 4.2Å; L692-L772 PolarHBondContact N-O 2.89Å; L692-L772 PolarHBondContact O-N 3.05Å; L692-W813 HydrophobicContact CB-CH2 3.69Å; L692-W813 HydrophobicContact CB-CZ2 4.18Å; L692-W813 HydrophobicContact CB-CZ3 4.41Å; L692-V815 HydrophobicContact CD2-CB 4.45Å; L692-V815 HydrophobicContact CD2-CG1 4.49Å; L692-V815 HydrophobicContact CD2-CG2 4.09Å
693	D	91.3	Very high	89.7	Confident	18 Å²	18	35.6 Å²	35.6	10%	0.096	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	122.9	-179.6	-167	-9.6	0	0	0	111.3	I576 I577 T578 R695 F771	I576-D693 HydrophobicContact CG2-CB 3.51Å; I577-D693 PolarHBondContact O-N 3.25Å; T578-D693 HydrophobicContact CG2-CB 4.29Å; D693-R695 VanDerWaalsContact OD1-CB 3.23Å; D693-R695 WeakPolarHBondContact OD1-CB 3.4Å; D693-R695 VanDerWaalsContact OD1-CG 3.27Å; D693-R695 WeakPolarHBondContact OD1-CG 3.48Å; D693-R695 IonicContact OD1-CZ 3.8Å; D693-R695 PolarHBondContact OD1-N 3.48Å; D693-R695 IonicContact OD1-NE 2.84Å; D693-R695 PolarHBondContact OD1-NE 3.24Å; D693-R695 IonicContact OD1-NH2 3.53Å; D693-R695 IonicContact OD2-CZ 3.57Å; D693-R695 IonicContact OD2-NE 3.38Å; D693-R695 PolarHBondContact OD2-NE 2.97Å; D693-R695 VanDerWaalsContact OD2-NE 3.15Å; D693-R695 IonicContact OD2-NH2 3.16Å; D693-R695 PolarHBondContact OD2-NH2 3.04Å; D693-F771 HydrophobicContact CB-CD2 3.83Å; D693-F771 HydrophobicContact CB-CE2 3.74Å
694	L	91.9	Very high	90.8	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.01	16%	0.156	C	C	.	.			trans	-115.7	1.2	175.7	-52.6	174.9	0	0	0	112.2	P579 L692 N696 T697 V701 D770 L817	P579-L694 HydrophobicContact CG-CD2 3.4Å; L692-L694 HydrophobicContact CD1-CD2 4.48Å; L692-L694 HydrophobicContact CG-CD2 4.42Å; L694-N696 PolarHBondContact O-N 2.64Å; L694-T697 WeakPolarHBondContact O-CA 3.46Å; L694-T697 WeakPolarHBondContact O-CB 3.49Å; L694-T697 PolarHBondContact O-N 3.19Å; L694-T697 PolarHBondContact O-OG1 3Å; L694-V701 HydrophobicContact CD1-CG2 3.86Å; L694-D770 CarbonylContact C-O 3.53Å; L694-D770 VanDerWaalsContact CA-O 3.32Å; L694-D770 WeakPolarHBondContact CA-O 3.32Å; L694-D770 VanDerWaalsContact CB-O 3.26Å; L694-D770 WeakPolarHBondContact CB-O 3.32Å; L694-D770 PolarHBondContact N-O 3.32Å; L694-L817 HydrophobicContact CD1-CD2 3.86Å; L694-L817 HydrophobicContact CD2-CD2 4.02Å
695	R	86.8	Confident	91.6	Very high	103 Å²	103	31 Å²	31	39%	0.389	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-36.4	-171.6	-68.4	175.8	-69.8	-165.1	-2.1	112.7	D693 T697 E727 D770 F771	D693-R695 VanDerWaalsContact OD1-CB 3.23Å; D693-R695 WeakPolarHBondContact OD1-CB 3.4Å; D693-R695 VanDerWaalsContact OD1-CG 3.27Å; D693-R695 WeakPolarHBondContact OD1-CG 3.48Å; D693-R695 IonicContact OD1-CZ 3.8Å; D693-R695 PolarHBondContact OD1-N 3.48Å; D693-R695 IonicContact OD1-NE 2.84Å; D693-R695 PolarHBondContact OD1-NE 3.24Å; D693-R695 IonicContact OD1-NH2 3.53Å; D693-R695 IonicContact OD2-CZ 3.57Å; D693-R695 IonicContact OD2-NE 3.38Å; D693-R695 PolarHBondContact OD2-NE 2.97Å; D693-R695 VanDerWaalsContact OD2-NE 3.15Å; D693-R695 IonicContact OD2-NH2 3.16Å; D693-R695 PolarHBondContact OD2-NH2 3.04Å; R695-T697 VanDerWaalsContact C-N 3.28Å; R695-T697 PolarHBondContact O-N 3.29Å; R695-E727 IonicContact CZ-OE1 2.92Å; R695-E727 IonicContact NH1-OE1 3.75Å; R695-E727 PolarHBondContact NH1-OE1 3.43Å; R695-E727 IonicContact NH2-OE1 3.53Å; R695-E727 PolarHBondContact NH2-OE1 3.02Å; R695-D770 HydrophobicContact CG-CB 4.19Å; R695-D770 PolarHBondContact N-O 3.05Å; R695-F771 VanDerWaalsContact NH2-CE2 3.35Å
696	N	85.8	Confident	92.2	Very high	159 Å²	159	30.3 Å²	30.3	85%	0.85	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.3	18.1	177.6	-65.3	-29.5	0	0	0	113.6	L694	L694-N696 PolarHBondContact O-N 2.64Å
697	T	89.8	Confident	92.3	Very high	22 Å²	22	32.7 Å²	32.7	14%	0.135	16%	0.158	C	C	.	.	S	Bend	trans	-121.7	157.3	178.8	79.3	0	0	0	0	110.5	L584 L694 R695 Y699	L584-T697 HydrophobicContact CD1-CG2 4.16Å; L584-T697 HydrophobicContact CD2-CG2 4.17Å; L694-T697 WeakPolarHBondContact O-CA 3.46Å; L694-T697 WeakPolarHBondContact O-CB 3.49Å; L694-T697 PolarHBondContact O-N 3.19Å; L694-T697 PolarHBondContact O-OG1 3Å; R695-T697 VanDerWaalsContact C-N 3.28Å; R695-T697 PolarHBondContact O-N 3.29Å; T697-Y699 PolarHBondContact O-N 2.96Å; T697-Y699 VanDerWaalsContact O-N 3.14Å; T697-Y699 PolarHBondContact OG1-N 2.92Å
698	N	90.3	Very high	92.5	Very high	107 Å²	107	32.9 Å²	32.9	57%	0.572	16%	0.16	S	C	*	.	S	Bend	trans	-81.5	24.6	173	-67.8	-15.1	0	0	0	112.8	K819 I820	N698-K819 CarbonylContact O-C 3.55Å; N698-K819 WeakPolarHBondContact O-CA 3.4Å; N698-I820 WeakPolarHBondContact O-CG1 3.37Å; N698-I820 PolarHBondContact O-N 2.99Å
699	Y	94.9	Very high	92.3	Very high	40 Å²	40	34.9 Å²	34.9	16%	0.157	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	155.4	-175.3	-68.5	-99.2	0	0	0	111.2	L584 T697 L817 V818 K819	L584-Y699 HydrophobicContact CB-CD2 4.19Å; L584-Y699 HydrophobicContact CB-CE2 3.79Å; L584-Y699 HydrophobicContact CD1-CD2 4.5Å; L584-Y699 HydrophobicContact CD2-CD2 3.67Å; L584-Y699 HydrophobicContact CD2-CE2 4.18Å; L584-Y699 HydrophobicContact CD2-CG 4.04Å; L584-Y699 HydrophobicContact CG-CD2 4.32Å; L584-Y699 HydrophobicContact CG-CE2 4.38Å; L584-Y699 WeakPolarHBondContact O-CE1 3.46Å; L584-Y699 VanDerWaalsContact O-CZ 3.25Å; L584-Y699 PolarHBondContact O-OH 3.3Å; T697-Y699 PolarHBondContact O-N 2.96Å; T697-Y699 VanDerWaalsContact O-N 3.14Å; T697-Y699 PolarHBondContact OG1-N 2.92Å; Y699-L817 HydrophobicContact CD1-CB 3.92Å; Y699-L817 HydrophobicContact CG-CB 4.43Å; Y699-V818 CarbonylContact C-O 3.58Å; Y699-V818 VanDerWaalsContact CA-O 3.29Å; Y699-V818 WeakPolarHBondContact CA-O 3.49Å; Y699-K819 HydrophobicContact CD1-CB 4.06Å; Y699-K819 HydrophobicContact CE1-CB 3.76Å; Y699-K819 HydrophobicContact CE1-CG 4.19Å
700	R	94.1	Very high	92.3	Very high	65 Å²	65	35.4 Å²	35.4	25%	0.245	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	160.9	172.8	-65.5	-61.5	-178.3	-106	11	109.8	G702 G768 A769 D770 L817 V818 I820	R700-G702 PolarHBondContact O-N 2.64Å; R700-G768 WeakPolarHBondContact CD-O 3.42Å; R700-A769 WeakPolarHBondContact CA-O 3.38Å; R700-A769 WeakPolarHBondContact CD-O 3.33Å; R700-D770 IonicContact CZ-OD2 2.68Å; R700-D770 IonicContact NH2-OD2 2.97Å; R700-L817 CarbonylContact O-C 3.52Å; R700-L817 WeakPolarHBondContact O-CA 3.42Å; R700-V818 PolarHBondContact N-O 2.76Å; R700-V818 PolarHBondContact O-N 3.07Å; R700-I820 HydrophobicContact CG-CD1 4.24Å; R700-I820 HydrophobicContact CG-CG1 3.86Å
701	V	94.1	Very high	92.2	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.006	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	132.6	172.3	175.7	0	0	0	0	109	L694 V704 M766 S767 G768 A769 L772 V815	L694-V701 HydrophobicContact CD1-CG2 3.86Å; V701-V704 HydrophobicContact CG1-CG2 3.66Å; V701-M766 WeakPolarHBondContact CB-O 3.4Å; V701-M766 HydrophobicContact CG1-CB 3.94Å; V701-M766 WeakPolarHBondContact CG1-O 3.33Å; V701-S767 CarbonylContact O-C 3.54Å; V701-S767 VanDerWaalsContact O-CA 3.28Å; V701-S767 WeakPolarHBondContact O-CA 3.48Å; V701-G768 PolarHBondContact O-N 2.93Å; V701-A769 HydrophobicContact CB-CB 4.27Å; V701-A769 HydrophobicContact CG2-CB 4.11Å; V701-A769 WeakPolarHBondContact CG2-O 3.23Å; V701-A769 PolarHBondContact N-O 3.31Å; V701-L772 HydrophobicContact CG1-CD1 4.42Å; V701-L772 HydrophobicContact CG2-CD1 3.67Å; V701-L772 HydrophobicContact CG2-CD2 4.08Å; V701-L772 HydrophobicContact CG2-CG 3.81Å; V701-V815 HydrophobicContact CB-CG1 4.38Å; V701-V815 HydrophobicContact CG1-CG1 4.01Å; V701-V815 HydrophobicContact CG2-CG1 4.01Å
702	G	93.2	Very high	92.1	Very high	9 Å²	9	38.9 Å²	38.9	9%	0.093	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	-74.3	166.6	0	0	0	0	0	110.2	R700 S767 E816	R700-G702 PolarHBondContact O-N 2.64Å; G702-S767 WeakPolarHBondContact O-CB 3.28Å; G702-E816 PolarHBondContact N-O 3.14Å
703	K	94.8	Very high	91.7	Very high	60 Å²	60	44.1 Å²	44.1	26%	0.261	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	141.3	-179.4	-176.6	176.3	177.4	177.6	0	110.8	E764 V815 E816	K703-E764 HydrophobicContact CB-CG 4.04Å; K703-E764 HydrophobicContact CD-CG 4.34Å; K703-E764 HydrophobicContact CG-CG 3.98Å; K703-V815 WeakPolarHBondContact O-CA 3.11Å; K703-E816 HydrophobicContact CB-CB 4.28Å; K703-E816 HydrophobicContact CB-CG 4.39Å; K703-E816 PolarHBondContact O-N 3.26Å
704	V	94.6	Very high	91.3	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	132.6	175.3	-175	0	0	0	0	109.8	V701 I706 L723 N762 S763 M766 L772 K814 V815	V701-V704 HydrophobicContact CG1-CG2 3.66Å; V704-I706 HydrophobicContact CG1-CD1 4.21Å; V704-I706 HydrophobicContact CG1-CG1 4Å; V704-L723 HydrophobicContact CB-CD2 4.07Å; V704-L723 HydrophobicContact CG1-CD2 3.66Å; V704-L723 HydrophobicContact CG2-CD2 4.18Å; V704-N762 CarbonylContact O-C 3.39Å; V704-N762 WeakPolarHBondContact O-CA 3.18Å; V704-S763 PolarHBondContact N-O 3.17Å; V704-S763 PolarHBondContact O-N 3.15Å; V704-M766 HydrophobicContact CG2-CB 4.32Å; V704-L772 HydrophobicContact CG2-CD1 4.1Å; V704-K814 WeakPolarHBondContact CA-O 3.47Å; V704-V815 HydrophobicContact CG1-CG2 4.31Å; V704-V815 HydrophobicContact CG2-CG1 4.34Å; V704-V815 HydrophobicContact CG2-CG2 4.28Å
705	S	95.6	Very high	90.8	Very high	16 Å²	16	51.3 Å²	51.3	11%	0.112	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	124.1	170.6	-57.1	0	0	0	0	109.1	F761 N762 K814	S705-F761 CarbonylContact C-O 3.6Å; S705-F761 VanDerWaalsContact CA-O 3.26Å; S705-F761 WeakPolarHBondContact CA-O 3.48Å; S705-N762 WeakPolarHBondContact CB-OD1 3.38Å; S705-N762 PolarHBondContact OG-OD1 2.87Å; S705-K814 PolarHBondContact N-O 2.85Å; S705-K814 PolarHBondContact O-N 3.42Å
706	I	94.5	Very high	90.6	Very high	2 Å²	2	50 Å²	50	1%	0.01	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	122.4	175.7	-65.2	170.4	0	0	0	108.6	V704 T708 L721 L723 L753 F761 L774 E812	V704-I706 HydrophobicContact CG1-CD1 4.21Å; V704-I706 HydrophobicContact CG1-CG1 4Å; I706-T708 HydrophobicContact CG2-CG2 4.36Å; I706-L721 HydrophobicContact CG2-CD2 3.94Å; I706-L723 HydrophobicContact CD1-CB 4.13Å; I706-L723 HydrophobicContact CD1-CD1 4.47Å; I706-L723 HydrophobicContact CD1-CD2 4.01Å; I706-L723 HydrophobicContact CD1-CG 4.44Å; I706-L753 HydrophobicContact CB-CD1 4.24Å; I706-L753 HydrophobicContact CG2-CD1 3.89Å; I706-F761 PolarHBondContact N-O 2.77Å; I706-F761 PolarHBondContact O-N 2.9Å; I706-L774 HydrophobicContact CD1-CD1 3.86Å; I706-E812 CarbonylContact C-O 3.56Å; I706-E812 VanDerWaalsContact CA-O 3.27Å; I706-E812 WeakPolarHBondContact CA-O 3.46Å
707	F	93.7	Very high	90.7	Very high	51 Å²	51	42.7 Å²	42.7	22%	0.224	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	130	162.9	178	-97	0	0	0	109.5	S759 L760 W809 L811 E812	F707-S759 VanDerWaalsContact CA-O 3.27Å; F707-S759 WeakPolarHBondContact CA-O 3.13Å; F707-S759 VanDerWaalsContact CD2-O 3.31Å; F707-S759 WeakPolarHBondContact CD2-O 3.37Å; F707-L760 HydrophobicContact CB-CD1 4.18Å; F707-L760 HydrophobicContact CD2-CB 4.45Å; F707-W809 VanDerWaalsContact CD1-O 3.28Å; F707-W809 WeakPolarHBondContact CD1-O 3.43Å; F707-W809 WeakPolarHBondContact CE1-O 3.36Å; F707-L811 CarbonylContact O-C 3.45Å; F707-L811 WeakPolarHBondContact O-CA 3.33Å; F707-E812 HydrophobicContact CB-CB 4Å; F707-E812 HydrophobicContact CB-CG 4.4Å; F707-E812 PolarHBondContact N-O 3.06Å; F707-E812 PolarHBondContact O-N 3.4Å
708	T	92.4	Very high	90.4	Very high	9 Å²	9	44.1 Å²	44.1	6%	0.055	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	155.5	172	-170.7	0	0	0	0	111.9	I706 M710 L721 L753 S759 F799 S810	I706-T708 HydrophobicContact CG2-CG2 4.36Å; T708-M710 HydrophobicContact CG2-CE 4.05Å; T708-L721 HydrophobicContact CG2-CD2 3.78Å; T708-L753 HydrophobicContact CG2-CD1 4.39Å; T708-S759 PolarHBondContact N-O 3Å; T708-S759 VanDerWaalsContact N-O 3.15Å; T708-F799 WeakPolarHBondContact OG1-CD1 3.42Å; T708-F799 WeakPolarHBondContact OG1-CE1 3.48Å; T708-S810 WeakPolarHBondContact CA-O 3.49Å
709	N	89.5	Confident	90.3	Very high	42 Å²	42	39.2 Å²	39.2	23%	0.225	21%	0.206	C	C	.	.			trans	-117.5	132.9	168.8	55.6	-17.1	0	0	0	111	F799 R800 S810	N709-F799 PolarHBondContact O-N 2.95Å; N709-F799 WeakPolarHBondContact OD1-CA 3.33Å; N709-R800 PolarHBondContact ND2-N 3.3Å; N709-R800 PolarHBondContact ND2-O 3.43Å; N709-S810 PolarHBondContact OD1-O 3.04Å; N709-S810 VanDerWaalsContact OD1-O 3.11Å
710	M	91.3	Very high	89.8	Confident	23 Å²	23	41.8 Å²	41.8	11%	0.113	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	141.1	178	-59.6	179.2	-76.4	0	0	108.8	T708 A719 L721 L753 P755 Q797 L798	T708-M710 HydrophobicContact CG2-CE 4.05Å; M710-A719 HydrophobicContact CB-CB 4.14Å; M710-A719 HydrophobicContact SD-CB 4.44Å; M710-L721 HydrophobicContact CE-CB 4.15Å; M710-L721 HydrophobicContact SD-CB 3.93Å; M710-L753 HydrophobicContact CE-CB 3.97Å; M710-P755 HydrophobicContact CB-CG 4.06Å; M710-Q797 WeakPolarHBondContact CA-O 3.08Å; M710-L798 HydrophobicContact CB-CD2 4.44Å; M710-L798 HydrophobicContact CG-CD2 3.63Å; M710-L798 HydrophobicContact SD-CD2 3.75Å
711	V	91.3	Very high	89.7	Confident	47 Å²	47	38.8 Å²	38.8	29%	0.285	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	137.6	-178.4	-175.1	0	0	0	0	109.8	H713 A796 Q797 R800	V711-H713 WeakPolarHBondContact CG1-NE2 3.5Å; V711-A796 CarbonylContact O-C 3.6Å; V711-A796 WeakPolarHBondContact O-CA 3.47Å; V711-Q797 PolarHBondContact N-O 3.04Å; V711-Q797 PolarHBondContact O-N 3.15Å; V711-R800 HydrophobicContact CG2-CB 4.44Å
712	C	89.2	Confident	89.3	Confident	40 Å²	40	40.2 Å²	40.2	27%	0.27	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	134	168	-68.1	0	0	0	0	108.6	C717 H718 A719 P755 Q795	C712-C717 WeakPolarHBondContact CB-O 3.28Å; C712-C717 PolarHBondContact SG-O 3.38Å; C712-H718 VanDerWaalsContact SG-C 3.56Å; C712-A719 PolarHBondContact SG-N 2.89Å; C712-P755 HydrophobicContact CB-CG 4.45Å; C712-Q795 WeakPolarHBondContact CA-O 3.39Å
713	H	87.1	Confident	89.1	Confident	110 Å²	110	40 Å²	40	51%	0.509	21%	0.209	S	C	.	.	S	Bend	trans	-102.9	-3.6	-173.7	-72.2	-80.7	0	0	0	113.9	V711 Q794 Q795	V711-H713 WeakPolarHBondContact CG1-NE2 3.5Å; H713-Q794 PolarHBondContact CD2-O 2.65Å; H713-Q795 PolarHBondContact N-O 3.41Å
714	S	82.4	Confident	88.6	Confident	49 Å²	49	37.5 Å²	37.5	34%	0.343	20%	0.199	S	C	.	.	S	Bend	trans	-145.1	166.9	169.4	88.7	0	0	0	0	110.8	E716 C717	S714-E716 VanDerWaalsContact C-N 3.27Å; S714-E716 WeakPolarHBondContact CB-OE2 3.49Å; S714-E716 PolarHBondContact O-N 3.03Å; S714-E716 PolarHBondContact OG-N 3.34Å; S714-E716 PolarHBondContact OG-OE2 2.89Å; S714-C717 PolarHBondContact O-N 3.43Å; S714-C717 PolarHBondContact OG-SG 2.87Å
715	T	81.1	Confident	88.1	Confident	122 Å²	122	38.1 Å²	38.1	75%	0.748	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-24	-179.2	29.7	0	0	0	0	113.7
716	E	83.4	Confident	87	Confident	77 Å²	77	38 Å²	38	36%	0.36	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-10.5	-179.2	-50.8	71.2	-145.5	0	0	112	S714 H718 N780 D781 D782	S714-E716 VanDerWaalsContact C-N 3.27Å; S714-E716 WeakPolarHBondContact CB-OE2 3.49Å; S714-E716 PolarHBondContact O-N 3.03Å; S714-E716 PolarHBondContact OG-N 3.34Å; S714-E716 PolarHBondContact OG-OE2 2.89Å; E716-H718 PolarHBondContact O-CD2 3.2Å; E716-H718 PolarHBondContact O-NE2 3.5Å; E716-N780 WeakPolarHBondContact CB-OD1 3.47Å; E716-N780 CarbonylContact O-C 3.51Å; E716-N780 VanDerWaalsContact O-CA 3.27Å; E716-N780 WeakPolarHBondContact O-CA 3.49Å; E716-N780 PolarHBondContact O-OD1 3.29Å; E716-D781 PolarHBondContact O-N 3.46Å; E716-D782 HydrophobicContact CB-CB 3.99Å; E716-D782 HydrophobicContact CG-CB 4.11Å
717	C	87.5	Confident	85.6	Confident	4 Å²	4	43.2 Å²	43.2	3%	0.027	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	137.2	-175.4	-59.8	0	0	0	0	110.6	C712 S714 N780 Q795 A796	C712-C717 WeakPolarHBondContact CB-O 3.28Å; C712-C717 PolarHBondContact SG-O 3.38Å; S714-C717 PolarHBondContact O-N 3.43Å; S714-C717 PolarHBondContact OG-SG 2.87Å; C717-N780 PolarHBondContact SG-ND2 2.83Å; C717-Q795 HydrophobicContact CB-CB 4.12Å; C717-Q795 WeakPolarHBondContact SG-CB 3.27Å; C717-A796 HydrophobicContact CB-CB 4.46Å
718	H	82.9	Confident	83.5	Confident	53 Å²	53	44.5 Å²	44.5	25%	0.245	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	141.3	-172.1	-57.6	-68.8	0	0	0	111.7	C712 E716 L778 W779 D781	C712-H718 VanDerWaalsContact SG-C 3.56Å; E716-H718 PolarHBondContact O-CD2 3.2Å; E716-H718 PolarHBondContact O-NE2 3.5Å; H718-L778 WeakPolarHBondContact O-CA 3.48Å; H718-W779 HydrophobicContact CB-CD2 3.57Å; H718-W779 HydrophobicContact CB-CE3 3.65Å; H718-W779 HydrophobicContact CB-CG 4.33Å; H718-W779 HydrophobicContact CB-CH2 3.51Å; H718-W779 HydrophobicContact CB-CZ2 3.36Å; H718-W779 HydrophobicContact CB-CZ3 3.65Å; H718-W779 AromaticContact CD2-CD1 3.97Å; H718-W779 AromaticContact CD2-CE2 3.69Å; H718-W779 AromaticContact CD2-NE1 3.35Å; H718-W779 PolarHBondContact CD2-NE1 3.14Å; H718-W779 AromaticContact CG-CE2 3.7Å; H718-W779 AromaticContact CG-CZ2 3.68Å; H718-W779 AromaticContact CG-NE1 3.87Å; H718-W779 PolarHBondContact N-O 2.89Å; H718-W779 PolarHBondContact O-N 3.4Å; H718-D781 IonicContact CD2-OD1 3.45Å; H718-D781 IonicContact CD2-OD2 3.72Å; H718-D781 IonicContact NE2-OD2 3.65Å; H718-D781 PolarHBondContact NE2-OD2 3.49Å; H718-D781 VanDerWaalsContact NE2-OD2 3.13Å
719	A	89.2	Confident	81.2	Confident	4 Å²	4	47.8 Å²	47.8	3%	0.033	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	132.6	170.7	0	0	0	0	0	108.5	M710 C712 P755 R777 L778 A796 L798	M710-A719 HydrophobicContact CB-CB 4.14Å; M710-A719 HydrophobicContact SD-CB 4.44Å; C712-A719 PolarHBondContact SG-N 2.89Å; A719-P755 HydrophobicContact CB-CG 4.09Å; A719-P755 WeakPolarHBondContact O-CD 3.33Å; A719-R777 WeakPolarHBondContact CA-O 3.49Å; A719-L778 HydrophobicContact CB-CD2 3.46Å; A719-L778 VanDerWaalsContact CB-CD2 3.46Å; A719-A796 HydrophobicContact CB-CB 4.43Å; A719-L798 HydrophobicContact CB-CD2 4.48Å
720	R	84.9	Confident	78.8	Confident	93 Å²	93	50.1 Å²	50.1	35%	0.351	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	137.2	-178.9	-171	178.9	-74.4	168.7	1.5	110.5	V722 C752 L753 A776 R777 W779	R720-V722 HydrophobicContact CG-CG2 3.86Å; R720-C752 WeakPolarHBondContact CD-SG 3.42Å; R720-C752 WeakPolarHBondContact CG-SG 3.4Å; R720-L753 CarbonylContact C-O 3.58Å; R720-L753 WeakPolarHBondContact CA-O 3.45Å; R720-A776 CarbonylContact O-C 3.48Å; R720-A776 WeakPolarHBondContact O-CA 3.47Å; R720-R777 PolarHBondContact N-O 3.09Å; R720-R777 PolarHBondContact O-N 3.19Å; R720-W779 HydrophobicContact CB-CH2 4.07Å; R720-W779 HydrophobicContact CB-CZ3 3.76Å
721	L	90.4	Very high	75.9	Confident	2 Å²	2	56.3 Å²	56.3	1%	0.01	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	123.9	171	-173.5	71.8	0	0	0	108.7	W690 I706 T708 M710 L753 L774 K775 A776	W690-L721 HydrophobicContact CZ3-CD1 4.33Å; I706-L721 HydrophobicContact CG2-CD2 3.94Å; T708-L721 HydrophobicContact CG2-CD2 3.78Å; M710-L721 HydrophobicContact CE-CB 4.15Å; M710-L721 HydrophobicContact SD-CB 3.93Å; L721-L753 HydrophobicContact CB-CB 4.3Å; L721-L753 HydrophobicContact CD2-CD1 4.35Å; L721-L753 PolarHBondContact N-O 2.81Å; L721-L753 PolarHBondContact O-N 2.92Å; L721-L774 HydrophobicContact CD1-CD1 3.82Å; L721-L774 HydrophobicContact CD1-CD2 4.34Å; L721-L774 HydrophobicContact CD1-CG 3.87Å; L721-L774 HydrophobicContact CD2-CD1 4.02Å; L721-L774 HydrophobicContact CG-CD1 3.74Å; L721-L774 HydrophobicContact CG-CG 4.34Å; L721-K775 CarbonylContact C-O 3.56Å; L721-K775 WeakPolarHBondContact CA-O 3.31Å; L721-A776 HydrophobicContact CD1-CB 3.56Å
722	V	85.8	Confident	72.9	Confident	32 Å²	32	60.1 Å²	60.1	19%	0.194	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	124.6	-176.8	-174	0	0	0	0	109.4	R720 C750 L751 L774 K775	R720-V722 HydrophobicContact CG-CG2 3.86Å; V722-C750 HydrophobicContact CG1-CB 4.1Å; V722-L751 CarbonylContact C-O 3.57Å; V722-L751 VanDerWaalsContact CA-O 3.3Å; V722-L751 WeakPolarHBondContact CA-O 3.35Å; V722-L774 CarbonylContact O-C 3.53Å; V722-L774 WeakPolarHBondContact O-CA 3.19Å; V722-K775 PolarHBondContact N-O 3.4Å; V722-K775 PolarHBondContact O-N 2.63Å
723	L	89.7	Confident	70	Confident	3 Å²	3	63.3 Å²	63.3	2%	0.016	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	130.5	169.1	178	72.4	0	0	0	108.6	V704 I706 C750 L751 M766 L772 T773 L774 W813	V704-L723 HydrophobicContact CB-CD2 4.07Å; V704-L723 HydrophobicContact CG1-CD2 3.66Å; V704-L723 HydrophobicContact CG2-CD2 4.18Å; I706-L723 HydrophobicContact CD1-CB 4.13Å; I706-L723 HydrophobicContact CD1-CD1 4.47Å; I706-L723 HydrophobicContact CD1-CD2 4.01Å; I706-L723 HydrophobicContact CD1-CG 4.44Å; L723-C750 CarbonylContact O-C 3.5Å; L723-C750 WeakPolarHBondContact O-CA 3.4Å; L723-L751 HydrophobicContact CB-CB 4.5Å; L723-L751 HydrophobicContact CD2-CD1 4.36Å; L723-L751 PolarHBondContact N-O 2.82Å; L723-L751 PolarHBondContact O-N 2.95Å; L723-M766 HydrophobicContact CB-CE 4.49Å; L723-M766 HydrophobicContact CD2-CE 4.2Å; L723-M766 HydrophobicContact CD2-CG 4Å; L723-M766 HydrophobicContact CG-CE 4.04Å; L723-M766 WeakPolarHBondContact O-CE 3.46Å; L723-L772 HydrophobicContact CD1-CB 4.27Å; L723-L772 HydrophobicContact CD1-CD1 4.4Å; L723-T773 CarbonylContact C-O 3.53Å; L723-T773 WeakPolarHBondContact CA-O 3.39Å; L723-L774 HydrophobicContact CB-CD1 4.11Å; L723-L774 HydrophobicContact CD1-CB 4.47Å; L723-L774 HydrophobicContact CD1-CD1 4.23Å; L723-W813 HydrophobicContact CD1-CZ2 3.98Å
724	C	84.7	Confident	67	Low	8 Å²	8	62.6 Å²	62.6	5%	0.054	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	145.3	175.6	-66.5	0	0	0	0	110.8	C750 L772 T773	C724-C750 HydrophobicContact CB-CB 4.26Å; C724-C750 WeakPolarHBondContact CB-SG 3.27Å; C724-C750 WeakPolarHBondContact SG-CB 3.15Å; C724-C750 CovalentContact SG-SG 2.06Å; C724-C750 PolarHBondContact SG-SG 3.07Å; C724-L772 WeakPolarHBondContact O-CA 3.43Å; C724-T773 PolarHBondContact N-O 2.83Å; C724-T773 PolarHBondContact O-N 3.05Å
725	S	82.8	Confident	64.4	Low	14 Å²	14	65.4 Å²	65.4	10%	0.098	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	138	159.8	53.7	0	0	0	0	108.8	N748 S749 M766 F771	S725-N748 WeakPolarHBondContact O-CB 3.31Å; S725-N748 PolarHBondContact O-ND2 3.21Å; S725-N748 VanDerWaalsContact O-ND2 3.11Å; S725-N748 PolarHBondContact O-OD1 2.99Å; S725-N748 VanDerWaalsContact O-OD1 3.1Å; S725-N748 WeakPolarHBondContact OG-CA 3.3Å; S725-S749 PolarHBondContact N-O 3.14Å; S725-S749 PolarHBondContact OG-N 3.04Å; S725-M766 PolarHBondContact N-SD 2.78Å; S725-F771 WeakPolarHBondContact CA-O 3.44Å
726	G	73.1	Confident	61.7	Low	14 Å²	14	61.8 Å²	61.8	14%	0.144	37%	0.368	C	S	.	.	S	Bend	trans	85.9	174.6	-179.8	0	0	0	0	0	116	F771 T773	G726-F771 VanDerWaalsContact C-CD1 3.4Å; G726-F771 PolarHBondContact N-O 2.65Å; G726-F771 WeakPolarHBondContact O-CD1 3.25Å; G726-T773 PolarHBondContact O-OG1 2.56Å
727	E	64.5	Low	59.1	Low	110 Å²	110	64.7 Å²	64.7	51%	0.514	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-69.8	133.5	175.4	-72.5	178.8	-165.3	0	0	110	R695 F771	R695-E727 IonicContact CZ-OE1 2.92Å; R695-E727 IonicContact NH1-OE1 3.75Å; R695-E727 PolarHBondContact NH1-OE1 3.43Å; R695-E727 IonicContact NH2-OE1 3.53Å; R695-E727 PolarHBondContact NH2-OE1 3.02Å; E727-F771 HydrophobicContact CB-CE1 4.36Å; E727-F771 HydrophobicContact CG-CD1 4.03Å; E727-F771 HydrophobicContact CG-CE1 3.61Å; E727-F771 HydrophobicContact CG-CE2 4.33Å; E727-F771 HydrophobicContact CG-CZ 3.77Å
728	Y	51.4	Low	56.3	Low	79 Å²	79	71.4 Å²	71.4	31%	0.31	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-70.6	132.5	173.5	-164.6	-90.5	0	0	0	109.7	A730 K775	Y728-A730 PolarHBondContact O-N 2.97Å; Y728-K775 HydrophobicContact CD2-CD 4.39Å; Y728-K775 HydrophobicContact CE1-CD 4.1Å; Y728-K775 HydrophobicContact CE2-CD 3.98Å; Y728-K775 VanDerWaalsContact CZ-NZ 3.28Å; Y728-K775 PolarHBondContact OH-NZ 3.32Å
729	P	42.9	Very low	53.7	Low	78 Å²	78	77.3 Å²	77.3	51%	0.506	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-63.4	124.1	-178.7	22.5	-30.5	0	0	0	110.6	N731	P729-N731 PolarHBondContact O-N 3.22Å; P729-N731 VanDerWaalsContact O-N 3.14Å
730	A	40.4	Very low	51	Low	91 Å²	91	85.4 Å²	85.4	75%	0.752	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-16.1	-171.4	0	0	0	0	0	114.7	Y728	Y728-A730 PolarHBondContact O-N 2.97Å
731	N	30.2	Very low	48.2	Very low	153 Å²	153	89.1 Å²	89.1	82%	0.818	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-146	45.2	-166.1	-84.9	-19.9	0	0	0	115.6	P729	P729-N731 PolarHBondContact O-N 3.22Å; P729-N731 VanDerWaalsContact O-N 3.14Å
732	N	27.3	Very low	45.2	Very low	127 Å²	127	96.4 Å²	96.4	68%	0.679	55%	0.553	S	S	*	*			trans	-108.9	109.9	165.8	-87.1	-3.8	0	0	0	111.5	C734	N732-C734 PolarHBondContact O-N 3Å
733	S	27.6	Very low	42.5	Very low	106 Å²	106	99.4 Å²	99.4	74%	0.741	57%	0.573	S	S	*	*			trans	-60.9	84.9	159.3	52.5	0	0	0	0	109.4	S735	S733-S735 PolarHBondContact O-N 3.43Å
734	C	25.8	Very low	39.5	Very low	96 Å²	96	104.9 Å²	104.9	65%	0.649	61%	0.609	S	S	*	*			trans	-75.1	57.8	158.7	-66	0	0	0	0	109	N732 G736	N732-C734 PolarHBondContact O-N 3Å; C734-G736 VanDerWaalsContact C-N 3.34Å; C734-G736 PolarHBondContact O-N 3.31Å
735	S	27.4	Very low	36.5	Very low	108 Å²	108	110.7 Å²	110.7	76%	0.755	65%	0.648	S	S	*	*			trans	-90.4	77.7	165.1	53.8	0	0	0	0	107	S733	S733-S735 PolarHBondContact O-N 3.43Å
736	G	24.7	Very low	34.2	Very low	46 Å²	46	116 Å²	116	47%	0.474	68%	0.679	S	S	.	*	S	Bend	trans	-158.2	133.7	172.5	0	0	0	0	0	108.6	C734 E738	C734-G736 VanDerWaalsContact C-N 3.34Å; C734-G736 PolarHBondContact O-N 3.31Å; G736-E738 PolarHBondContact O-N 3.36Å
737	P	28.5	Very low	32.4	Very low	137 Å²	137	121.1 Å²	121.1	89%	0.89	71%	0.71	S	S	*	*			trans	-73.9	84.6	175.2	30.8	-30.4	0	0	0	108	E739	P737-E739 PolarHBondContact O-N 2.9Å
738	E	28.8	Very low	31.6	Very low	145 Å²	145	119.9 Å²	119.9	68%	0.678	71%	0.707	S	S	*	*			trans	-86.8	95.3	171	-75	-163.3	158.5	0	0	109.6	G736 N740	G736-E738 PolarHBondContact O-N 3.36Å; E738-N740 PolarHBondContact O-N 3.44Å
739	E	28.7	Very low	32.1	Very low	178 Å²	178	118.3 Å²	118.3	83%	0.832	71%	0.708	S	S	*	*			trans	-50.9	116.1	157.6	-69.2	-178.6	154.2	0	0	110.1	P737 K741	P737-E739 PolarHBondContact O-N 2.9Å; E739-K741 VanDerWaalsContact C-N 3.28Å; E739-K741 PolarHBondContact O-N 3.46Å
740	N	31	Very low	33.6	Very low	173 Å²	173	117.6 Å²	117.6	93%	0.925	70%	0.703	S	S	*	*	S	Bend	trans	50	26.2	151.9	-91.6	-16.7	0	0	0	119.5	E738	E738-N740 PolarHBondContact O-N 3.44Å
741	K	26.4	Very low	35.5	Very low	171 Å²	171	114.9 Å²	114.9	74%	0.743	68%	0.676	S	S	*	*			trans	-117.4	121.3	170.9	-70.5	-176.1	-179	174.9	0	110.3	E739	E739-K741 VanDerWaalsContact C-N 3.28Å; E739-K741 PolarHBondContact O-N 3.46Å
742	N	27.9	Very low	37.9	Very low	156 Å²	156	110.8 Å²	110.8	83%	0.834	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-48.8	135.8	168	-75.5	-32.4	0	0	0	109
743	P	28.7	Very low	40.6	Very low	95 Å²	95	105.2 Å²	105.2	62%	0.617	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-56.8	148	-175.7	21.8	-32.3	0	0	0	111.5
744	P	25.9	Very low	43.3	Very low	118 Å²	118	105 Å²	105	77%	0.766	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-62.9	136.7	-175.4	20.9	-26.2	0	0	0	112
745	C	23.7	Very low	46	Very low	129 Å²	129	102.9 Å²	102.9	87%	0.872	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-48.5	126.8	-170.9	-63.3	0	0	0	0	117.3
746	V	33.2	Very low	48.5	Very low	125 Å²	125	102 Å²	102	76%	0.758	61%	0.609	S	S	*	*	S	Bend	trans	-148.9	147.7	142.6	-171.9	0	0	0	0	105	N748	V746-N748 VanDerWaalsContact C-N 3.31Å; V746-N748 PolarHBondContact O-N 3.39Å
747	P	35.1	Very low	51.2	Low	122 Å²	122	101.9 Å²	101.9	79%	0.792	60%	0.601	S	S	*	*	S	Bend	trans	-79.3	76.8	-153	33.9	-34.8	0	0	0	112.7
748	N	48.5	Very low	53.6	Low	85 Å²	85	98.9 Å²	98.9	46%	0.455	59%	0.587	S	S	.	*			trans	-130.7	105.8	164	-77	-18.6	0	0	0	106.6	S725 V746 C750	S725-N748 WeakPolarHBondContact O-CB 3.31Å; S725-N748 PolarHBondContact O-ND2 3.21Å; S725-N748 VanDerWaalsContact O-ND2 3.11Å; S725-N748 PolarHBondContact O-OD1 2.99Å; S725-N748 VanDerWaalsContact O-OD1 3.1Å; S725-N748 WeakPolarHBondContact OG-CA 3.3Å; V746-N748 VanDerWaalsContact C-N 3.31Å; V746-N748 PolarHBondContact O-N 3.39Å; N748-C750 PolarHBondContact O-N 3.05Å
749	S	61.5	Low	55.7	Low	46 Å²	46	95.3 Å²	95.3	32%	0.322	58%	0.578	S	S	.	*			trans	-60.5	131.8	167.9	46.8	0	0	0	0	107.8	S725 A765 M766	S725-S749 PolarHBondContact N-O 3.14Å; S725-S749 PolarHBondContact OG-N 3.04Å; S749-A765 PolarHBondContact OG-O 3.32Å; S749-A765 VanDerWaalsContact OG-O 3.12Å; S749-M766 WeakPolarHBondContact O-CE 3.44Å; S749-M766 PolarHBondContact OG-SD 3.36Å
750	C	74.5	Confident	58.1	Low	62 Å²	62	91.6 Å²	91.6	42%	0.419	56%	0.564	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-119.4	141.2	168.1	-66.3	0	0	0	0	109.4	V722 L723 C724 N748	V722-C750 HydrophobicContact CG1-CB 4.1Å; L723-C750 CarbonylContact O-C 3.5Å; L723-C750 WeakPolarHBondContact O-CA 3.4Å; C724-C750 HydrophobicContact CB-CB 4.26Å; C724-C750 WeakPolarHBondContact CB-SG 3.27Å; C724-C750 WeakPolarHBondContact SG-CB 3.15Å; C724-C750 CovalentContact SG-SG 2.06Å; C724-C750 PolarHBondContact SG-SG 3.07Å; N748-C750 PolarHBondContact O-N 3.05Å
751	L	80.9	Confident	60.7	Low	34 Å²	34	85.8 Å²	85.8	18%	0.178	53%	0.53	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	135.6	177.7	-60.7	170	0	0	0	108.4	V722 L723 F761 S763 A765 M766	V722-L751 CarbonylContact C-O 3.57Å; V722-L751 VanDerWaalsContact CA-O 3.3Å; V722-L751 WeakPolarHBondContact CA-O 3.35Å; L723-L751 HydrophobicContact CB-CB 4.5Å; L723-L751 HydrophobicContact CD2-CD1 4.36Å; L723-L751 PolarHBondContact N-O 2.82Å; L723-L751 PolarHBondContact O-N 2.95Å; L751-F761 HydrophobicContact CB-CE1 4.06Å; L751-F761 HydrophobicContact CB-CZ 4.06Å; L751-F761 HydrophobicContact CD1-CE1 3.59Å; L751-F761 HydrophobicContact CD1-CZ 3.79Å; L751-F761 HydrophobicContact CD2-CZ 4.13Å; L751-F761 HydrophobicContact CG-CE1 4.32Å; L751-F761 HydrophobicContact CG-CZ 4.2Å; L751-S763 VanDerWaalsContact CD1-CB 3.43Å; L751-S763 VanDerWaalsContact CD1-OG 3.25Å; L751-S763 WeakPolarHBondContact CD1-OG 3.42Å; L751-A765 HydrophobicContact CD1-CB 4.21Å; L751-A765 HydrophobicContact CD2-CB 4.17Å; L751-M766 HydrophobicContact CB-CE 4.36Å; L751-M766 HydrophobicContact CD1-CE 3.92Å; L751-M766 HydrophobicContact CD1-CG 4.37Å; L751-M766 HydrophobicContact CG-CE 3.76Å
752	C	79.4	Confident	63.8	Low	67 Å²	67	81.2 Å²	81.2	45%	0.453	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	128.7	-172.2	-179.8	0	0	0	0	110.8	R720	R720-C752 WeakPolarHBondContact CD-SG 3.42Å; R720-C752 WeakPolarHBondContact CG-SG 3.4Å
753	L	85	Confident	66.6	Low	10 Å²	10	74.8 Å²	74.8	5%	0.052	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	142	172.8	-57	174.9	0	0	0	109.3	I706 T708 M710 R720 L721 F761	I706-L753 HydrophobicContact CB-CD1 4.24Å; I706-L753 HydrophobicContact CG2-CD1 3.89Å; T708-L753 HydrophobicContact CG2-CD1 4.39Å; M710-L753 HydrophobicContact CE-CB 3.97Å; R720-L753 CarbonylContact C-O 3.58Å; R720-L753 WeakPolarHBondContact CA-O 3.45Å; L721-L753 HydrophobicContact CB-CB 4.3Å; L721-L753 HydrophobicContact CD2-CD1 4.35Å; L721-L753 PolarHBondContact N-O 2.81Å; L721-L753 PolarHBondContact O-N 2.92Å; L753-F761 HydrophobicContact CD1-CB 4Å; L753-F761 HydrophobicContact CD1-CD1 4.44Å; L753-F761 HydrophobicContact CD1-CG 4.31Å; L753-F761 HydrophobicContact CD2-CB 3.77Å; L753-F761 HydrophobicContact CD2-CD1 4.24Å; L753-F761 HydrophobicContact CD2-CD2 3.67Å; L753-F761 HydrophobicContact CD2-CE2 4.29Å; L753-F761 HydrophobicContact CD2-CG 3.63Å; L753-F761 HydrophobicContact CG-CG 4.47Å
754	Q	84.2	Confident	69.5	Low	102 Å²	102	76.5 Å²	76.5	48%	0.477	48%	0.481	S	S	.	.			trans	-147.3	163.4	178.3	63.6	-171.8	-9	0	0	109.8	G756 S757	Q754-G756 PolarHBondContact O-N 3.41Å; Q754-S757 PolarHBondContact N-OG 2.89Å; Q754-S757 WeakPolarHBondContact O-CB 3.32Å; Q754-S757 PolarHBondContact O-N 3.03Å; Q754-S757 PolarHBondContact O-OG 3.33Å
755	P	82.5	Confident	72.3	Confident	52 Å²	52	73.5 Å²	73.5	34%	0.338	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.9	128.9	173.8	-29	34.8	0	0	0	112	M710 C712 A719	M710-P755 HydrophobicContact CB-CG 4.06Å; C712-P755 HydrophobicContact CB-CG 4.45Å; A719-P755 HydrophobicContact CB-CG 4.09Å; A719-P755 WeakPolarHBondContact O-CD 3.33Å
756	G	78.6	Confident	75.3	Confident	88 Å²	88	67.4 Å²	67.4	91%	0.907	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.1	-12.5	-172.2	0	0	0	0	0	115.3	Q754	Q754-G756 PolarHBondContact O-N 3.41Å
757	S	81.7	Confident	78	Confident	44 Å²	44	65.1 Å²	65.1	31%	0.308	42%	0.415	S	S	.	.	S	Bend	trans	-65.3	154.6	166.4	-53.6	0	0	0	0	110.2	Q754 S759	Q754-S757 PolarHBondContact N-OG 2.89Å; Q754-S757 WeakPolarHBondContact O-CB 3.32Å; Q754-S757 PolarHBondContact O-N 3.03Å; Q754-S757 PolarHBondContact O-OG 3.33Å; S757-S759 PolarHBondContact O-N 3.32Å
758	A	80	Confident	80.7	Confident	74 Å²	74	61.6 Å²	61.6	61%	0.612	40%	0.4	S	S	*	.			trans	-56	129.8	173.1	0	0	0	0	0	110.1	L760	A758-L760 PolarHBondContact O-N 3.06Å
759	S	72.7	Confident	82.7	Confident	70 Å²	70	58.2 Å²	58.2	49%	0.49	38%	0.384	S	S	.	.	S	Bend	trans	-59.9	-33.8	-176.1	-52.4	0	0	0	0	112.5	F707 T708 S757	F707-S759 VanDerWaalsContact CA-O 3.27Å; F707-S759 WeakPolarHBondContact CA-O 3.13Å; F707-S759 VanDerWaalsContact CD2-O 3.31Å; F707-S759 WeakPolarHBondContact CD2-O 3.37Å; T708-S759 PolarHBondContact N-O 3Å; T708-S759 VanDerWaalsContact N-O 3.15Å; S757-S759 PolarHBondContact O-N 3.32Å
760	L	79	Confident	84.1	Confident	101 Å²	101	58.7 Å²	58.7	53%	0.529	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	114.7	170.3	-178.3	66.5	0	0	0	109.4	F707 A758	F707-L760 HydrophobicContact CB-CD1 4.18Å; F707-L760 HydrophobicContact CD2-CB 4.45Å; A758-L760 PolarHBondContact O-N 3.06Å
761	F	84.7	Confident	84.9	Confident	50 Å²	50	56 Å²	56	22%	0.219	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	133.2	178.8	176.9	-100.4	0	0	0	110.2	S705 I706 L751 L753	S705-F761 CarbonylContact C-O 3.6Å; S705-F761 VanDerWaalsContact CA-O 3.26Å; S705-F761 WeakPolarHBondContact CA-O 3.48Å; I706-F761 PolarHBondContact N-O 2.77Å; I706-F761 PolarHBondContact O-N 2.9Å; L751-F761 HydrophobicContact CB-CE1 4.06Å; L751-F761 HydrophobicContact CB-CZ 4.06Å; L751-F761 HydrophobicContact CD1-CE1 3.59Å; L751-F761 HydrophobicContact CD1-CZ 3.79Å; L751-F761 HydrophobicContact CD2-CZ 4.13Å; L751-F761 HydrophobicContact CG-CE1 4.32Å; L751-F761 HydrophobicContact CG-CZ 4.2Å; L753-F761 HydrophobicContact CD1-CB 4Å; L753-F761 HydrophobicContact CD1-CD1 4.44Å; L753-F761 HydrophobicContact CD1-CG 4.31Å; L753-F761 HydrophobicContact CD2-CB 3.77Å; L753-F761 HydrophobicContact CD2-CD1 4.24Å; L753-F761 HydrophobicContact CD2-CD2 3.67Å; L753-F761 HydrophobicContact CD2-CE2 4.29Å; L753-F761 HydrophobicContact CD2-CG 3.63Å; L753-F761 HydrophobicContact CG-CG 4.47Å
762	N	91.2	Very high	85.4	Confident	76 Å²	76	54.4 Å²	54.4	41%	0.406	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	134.9	178	-66.9	-74.2	0	0	0	109.5	V704 S705	V704-N762 CarbonylContact O-C 3.39Å; V704-N762 WeakPolarHBondContact O-CA 3.18Å; S705-N762 WeakPolarHBondContact CB-OD1 3.38Å; S705-N762 PolarHBondContact OG-OD1 2.87Å
763	S	88.4	Confident	86	Confident	20 Å²	20	51.2 Å²	51.2	14%	0.14	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	144.9	178.3	-171.8	0	0	0	0	113	V704 L751 A765	V704-S763 PolarHBondContact N-O 3.17Å; V704-S763 PolarHBondContact O-N 3.15Å; L751-S763 VanDerWaalsContact CD1-CB 3.43Å; L751-S763 VanDerWaalsContact CD1-OG 3.25Å; L751-S763 WeakPolarHBondContact CD1-OG 3.42Å; S763-A765 WeakPolarHBondContact OG-CB 3.35Å; S763-A765 PolarHBondContact OG-N 2.9Å; S763-A765 VanDerWaalsContact OG-N 3.1Å
764	E	89.7	Confident	86.4	Confident	132 Å²	132	50.8 Å²	50.8	62%	0.617	33%	0.332	S	S	*	.			trans	-106	6.3	170.6	-67	173.7	-166.4	0	0	111.6	K703 M766 S767	K703-E764 HydrophobicContact CB-CG 4.04Å; K703-E764 HydrophobicContact CD-CG 4.34Å; K703-E764 HydrophobicContact CG-CG 3.98Å; E764-M766 PolarHBondContact O-N 3.29Å; E764-M766 VanDerWaalsContact O-N 3.09Å; E764-S767 WeakPolarHBondContact O-CB 3.46Å; E764-S767 PolarHBondContact O-N 3.28Å
765	A	84.4	Confident	86.6	Confident	54 Å²	54	47.6 Å²	47.6	45%	0.446	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-21.9	-177.6	0	0	0	0	0	113.2	S749 L751 S763	S749-A765 PolarHBondContact OG-O 3.32Å; S749-A765 VanDerWaalsContact OG-O 3.12Å; L751-A765 HydrophobicContact CD1-CB 4.21Å; L751-A765 HydrophobicContact CD2-CB 4.17Å; S763-A765 WeakPolarHBondContact OG-CB 3.35Å; S763-A765 PolarHBondContact OG-N 2.9Å; S763-A765 VanDerWaalsContact OG-N 3.1Å
766	M	86.5	Confident	87.1	Confident	2 Å²	2	45.1 Å²	45.1	1%	0.01	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	6.1	176.9	-56.6	-66.2	173.9	0	0	113.1	V701 V704 L723 S725 S749 L751 E764 G768 A769 L772	V701-M766 WeakPolarHBondContact CB-O 3.4Å; V701-M766 HydrophobicContact CG1-CB 3.94Å; V701-M766 WeakPolarHBondContact CG1-O 3.33Å; V704-M766 HydrophobicContact CG2-CB 4.32Å; L723-M766 HydrophobicContact CB-CE 4.49Å; L723-M766 HydrophobicContact CD2-CE 4.2Å; L723-M766 HydrophobicContact CD2-CG 4Å; L723-M766 HydrophobicContact CG-CE 4.04Å; L723-M766 WeakPolarHBondContact O-CE 3.46Å; S725-M766 PolarHBondContact N-SD 2.78Å; S749-M766 WeakPolarHBondContact O-CE 3.44Å; S749-M766 PolarHBondContact OG-SD 3.36Å; L751-M766 HydrophobicContact CB-CE 4.36Å; L751-M766 HydrophobicContact CD1-CE 3.92Å; L751-M766 HydrophobicContact CD1-CG 4.37Å; L751-M766 HydrophobicContact CG-CE 3.76Å; E764-M766 PolarHBondContact O-N 3.29Å; E764-M766 VanDerWaalsContact O-N 3.09Å; M766-G768 PolarHBondContact O-N 2.88Å; M766-A769 WeakPolarHBondContact O-CB 3.38Å; M766-A769 PolarHBondContact O-N 2.82Å; M766-L772 HydrophobicContact CB-CD2 4.05Å; M766-L772 HydrophobicContact CG-CD2 4.17Å; M766-L772 HydrophobicContact SD-CD2 4.34Å
767	S	90.3	Very high	87.4	Confident	77 Å²	77	44.3 Å²	44.3	54%	0.538	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	132.8	-178.3	-173.1	0	0	0	0	110.6	V701 G702 E764	V701-S767 CarbonylContact O-C 3.54Å; V701-S767 VanDerWaalsContact O-CA 3.28Å; V701-S767 WeakPolarHBondContact O-CA 3.48Å; G702-S767 WeakPolarHBondContact O-CB 3.28Å; E764-S767 WeakPolarHBondContact O-CB 3.46Å; E764-S767 PolarHBondContact O-N 3.28Å
768	G	90.1	Very high	87.8	Confident	47 Å²	47	42.2 Å²	42.2	49%	0.485	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.1	-7.8	-175.1	0	0	0	0	0	115.4	R700 V701 M766	R700-G768 WeakPolarHBondContact CD-O 3.42Å; V701-G768 PolarHBondContact O-N 2.93Å; M766-G768 PolarHBondContact O-N 2.88Å
769	A	91.1	Very high	88	Confident	14 Å²	14	39.9 Å²	39.9	12%	0.116	23%	0.231	C	C	.	.			trans	-67.3	147.8	175.6	0	0	0	0	0	111.9	R700 V701 M766 L772	R700-A769 WeakPolarHBondContact CA-O 3.38Å; R700-A769 WeakPolarHBondContact CD-O 3.33Å; V701-A769 HydrophobicContact CB-CB 4.27Å; V701-A769 HydrophobicContact CG2-CB 4.11Å; V701-A769 WeakPolarHBondContact CG2-O 3.23Å; V701-A769 PolarHBondContact N-O 3.31Å; M766-A769 WeakPolarHBondContact O-CB 3.38Å; M766-A769 PolarHBondContact O-N 2.82Å; A769-L772 HydrophobicContact CB-CD2 4.17Å
770	D	91.9	Very high	88.5	Confident	57 Å²	57	37 Å²	37	31%	0.305	21%	0.21	S	C	.	.	S	Bend	trans	-111.9	-0.6	174.4	57.4	6	0	0	0	113.4	L694 R695 R700	L694-D770 CarbonylContact C-O 3.53Å; L694-D770 VanDerWaalsContact CA-O 3.32Å; L694-D770 WeakPolarHBondContact CA-O 3.32Å; L694-D770 VanDerWaalsContact CB-O 3.26Å; L694-D770 WeakPolarHBondContact CB-O 3.32Å; L694-D770 PolarHBondContact N-O 3.32Å; R695-D770 HydrophobicContact CG-CB 4.19Å; R695-D770 PolarHBondContact N-O 3.05Å; R700-D770 IonicContact CZ-OD2 2.68Å; R700-D770 IonicContact NH2-OD2 2.97Å
771	F	90.4	Very high	88.2	Confident	4 Å²	4	37 Å²	37	2%	0.018	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	135.2	177	-163	-84.4	0	0	0	109	I576 M691 L692 D693 R695 S725 G726 E727	I576-F771 HydrophobicContact CG2-CE2 4.27Å; M691-F771 HydrophobicContact CB-CE1 4.27Å; M691-F771 HydrophobicContact CB-CZ 3.95Å; M691-F771 HydrophobicContact CE-CE1 4.37Å; M691-F771 HydrophobicContact CG-CE1 4.15Å; M691-F771 HydrophobicContact CG-CZ 4.11Å; M691-F771 HydrophobicContact SD-CE1 4.18Å; M691-F771 HydrophobicContact SD-CZ 3.87Å; L692-F771 WeakPolarHBondContact O-CA 3.44Å; D693-F771 HydrophobicContact CB-CD2 3.83Å; D693-F771 HydrophobicContact CB-CE2 3.74Å; R695-F771 VanDerWaalsContact NH2-CE2 3.35Å; S725-F771 WeakPolarHBondContact CA-O 3.44Å; G726-F771 VanDerWaalsContact C-CD1 3.4Å; G726-F771 PolarHBondContact N-O 2.65Å; G726-F771 WeakPolarHBondContact O-CD1 3.25Å; E727-F771 HydrophobicContact CB-CE1 4.36Å; E727-F771 HydrophobicContact CG-CD1 4.03Å; E727-F771 HydrophobicContact CG-CE1 3.61Å; E727-F771 HydrophobicContact CG-CE2 4.33Å; E727-F771 HydrophobicContact CG-CZ 3.77Å
772	L	92.6	Very high	87.6	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	136.3	175.2	-63.5	179.4	0	0	0	110.5	M691 L692 V701 V704 L723 C724 M766 A769 W813 V815	M691-L772 WeakPolarHBondContact CA-O 3.44Å; L692-L772 HydrophobicContact CB-CB 4.31Å; L692-L772 HydrophobicContact CD2-CD1 4.2Å; L692-L772 PolarHBondContact N-O 2.89Å; L692-L772 PolarHBondContact O-N 3.05Å; V701-L772 HydrophobicContact CG1-CD1 4.42Å; V701-L772 HydrophobicContact CG2-CD1 3.67Å; V701-L772 HydrophobicContact CG2-CD2 4.08Å; V701-L772 HydrophobicContact CG2-CG 3.81Å; V704-L772 HydrophobicContact CG2-CD1 4.1Å; L723-L772 HydrophobicContact CD1-CB 4.27Å; L723-L772 HydrophobicContact CD1-CD1 4.4Å; C724-L772 WeakPolarHBondContact O-CA 3.43Å; M766-L772 HydrophobicContact CB-CD2 4.05Å; M766-L772 HydrophobicContact CG-CD2 4.17Å; M766-L772 HydrophobicContact SD-CD2 4.34Å; A769-L772 HydrophobicContact CB-CD2 4.17Å; L772-W813 HydrophobicContact CB-CH2 4.31Å; L772-W813 HydrophobicContact CB-CZ2 3.79Å; L772-W813 HydrophobicContact CD1-CZ2 4.04Å; L772-V815 HydrophobicContact CD1-CG1 4.25Å; L772-V815 HydrophobicContact CD1-CG2 3.96Å
773	T	90.2	Very high	86.3	Confident	1 Å²	1	40.6 Å²	40.6	1%	0.006	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	128.3	168	-54.2	0	0	0	0	109.8	I689 M691 L723 C724 G726	I689-T773 HydrophobicContact CG2-CG2 3.76Å; M691-T773 HydrophobicContact CE-CG2 4.2Å; M691-T773 HydrophobicContact CG-CG2 4.22Å; L723-T773 CarbonylContact C-O 3.53Å; L723-T773 WeakPolarHBondContact CA-O 3.39Å; C724-T773 PolarHBondContact N-O 2.83Å; C724-T773 PolarHBondContact O-N 3.05Å; G726-T773 PolarHBondContact O-OG1 2.56Å
774	L	93.4	Very high	84.9	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	121.2	170.7	-174.6	67.5	0	0	0	108.6	I689 W690 I706 L721 V722 L723 L811 W813	I689-L774 CarbonylContact C-O 3.56Å; I689-L774 WeakPolarHBondContact CA-O 3.29Å; W690-L774 HydrophobicContact CB-CB 4.33Å; W690-L774 HydrophobicContact CE3-CB 4.22Å; W690-L774 HydrophobicContact CE3-CD2 3.97Å; W690-L774 HydrophobicContact CE3-CG 4.01Å; W690-L774 HydrophobicContact CZ3-CD2 4.42Å; W690-L774 HydrophobicContact CZ3-CG 4.48Å; W690-L774 PolarHBondContact N-O 3.01Å; W690-L774 PolarHBondContact O-N 3.02Å; I706-L774 HydrophobicContact CD1-CD1 3.86Å; L721-L774 HydrophobicContact CD1-CD1 3.82Å; L721-L774 HydrophobicContact CD1-CD2 4.34Å; L721-L774 HydrophobicContact CD1-CG 3.87Å; L721-L774 HydrophobicContact CD2-CD1 4.02Å; L721-L774 HydrophobicContact CG-CD1 3.74Å; L721-L774 HydrophobicContact CG-CG 4.34Å; V722-L774 CarbonylContact O-C 3.53Å; V722-L774 WeakPolarHBondContact O-CA 3.19Å; L723-L774 HydrophobicContact CB-CD1 4.11Å; L723-L774 HydrophobicContact CD1-CB 4.47Å; L723-L774 HydrophobicContact CD1-CD1 4.23Å; L774-L811 HydrophobicContact CD2-CD1 4.49Å; L774-W813 HydrophobicContact CB-CE3 4.36Å; L774-W813 HydrophobicContact CB-CH2 4.03Å; L774-W813 HydrophobicContact CB-CZ2 4.23Å; L774-W813 HydrophobicContact CB-CZ3 4.11Å; L774-W813 HydrophobicContact CD2-CB 4.48Å; L774-W813 HydrophobicContact CD2-CD2 3.94Å; L774-W813 HydrophobicContact CD2-CE3 3.94Å; L774-W813 HydrophobicContact CD2-CG 4.2Å; L774-W813 HydrophobicContact CD2-CZ3 4.49Å
775	K	88.9	Confident	83.5	Confident	35 Å²	35	42.1 Å²	42.1	15%	0.152	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	125	-176.8	175.4	177	177.2	178.5	0	110.5	I687 I688 I689 L721 V722 Y728	I687-K775 HydrophobicContact CG2-CG 4.36Å; I688-K775 CarbonylContact O-C 3.47Å; I688-K775 WeakPolarHBondContact O-CA 3.44Å; I689-K775 HydrophobicContact CG1-CB 4.27Å; I689-K775 HydrophobicContact CG1-CD 4.38Å; I689-K775 HydrophobicContact CG1-CG 3.99Å; L721-K775 CarbonylContact C-O 3.56Å; L721-K775 WeakPolarHBondContact CA-O 3.31Å; V722-K775 PolarHBondContact N-O 3.4Å; V722-K775 PolarHBondContact O-N 2.63Å; Y728-K775 HydrophobicContact CD2-CD 4.39Å; Y728-K775 HydrophobicContact CE1-CD 4.1Å; Y728-K775 HydrophobicContact CE2-CD 3.98Å; Y728-K775 VanDerWaalsContact CZ-NZ 3.28Å; Y728-K775 PolarHBondContact OH-NZ 3.32Å
776	A	92.7	Very high	82.5	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	143.5	166.7	0	0	0	0	0	111.3	I687 I688 W690 R720 L721 L798	I687-A776 WeakPolarHBondContact CA-O 3.46Å; I688-A776 HydrophobicContact CG2-CB 3.33Å; I688-A776 PolarHBondContact N-O 2.87Å; I688-A776 PolarHBondContact O-N 2.99Å; W690-A776 HydrophobicContact CZ3-CB 4.43Å; R720-A776 CarbonylContact O-C 3.48Å; R720-A776 WeakPolarHBondContact O-CA 3.47Å; L721-A776 HydrophobicContact CD1-CB 3.56Å; A776-L798 HydrophobicContact CB-CD1 3.56Å; A776-L798 HydrophobicContact CB-CD2 4.17Å
777	R	86	Confident	81.8	Confident	71 Å²	71	48.8 Å²	48.8	27%	0.268	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	133.5	177	-175.1	-178.9	-174.9	-152.7	-2.7	110.1	D685 G686 I687 A719 R720 W779	D685-R777 HydrophobicContact CB-CG 4.34Å; D685-R777 VanDerWaalsContact CG-NE 3.34Å; D685-R777 VanDerWaalsContact CG-NH2 3.32Å; D685-R777 IonicContact OD1-CZ 3.62Å; D685-R777 IonicContact OD1-NE 3.09Å; D685-R777 IonicContact OD1-NH2 3.13Å; D685-R777 PolarHBondContact OD1-NH2 3.41Å; D685-R777 IonicContact OD2-CZ 3.13Å; D685-R777 IonicContact OD2-NE 3.27Å; D685-R777 PolarHBondContact OD2-NE 2.83Å; D685-R777 IonicContact OD2-NH2 3.74Å; D685-R777 PolarHBondContact OD2-NH2 3.36Å; G686-R777 CarbonylContact O-C 3.56Å; G686-R777 VanDerWaalsContact O-CA 3.26Å; G686-R777 WeakPolarHBondContact O-CA 3.32Å; I687-R777 HydrophobicContact CD1-CB 3.83Å; I687-R777 HydrophobicContact CD1-CG 3.52Å; A719-R777 WeakPolarHBondContact CA-O 3.49Å; R720-R777 PolarHBondContact N-O 3.09Å; R720-R777 PolarHBondContact O-N 3.19Å; R777-W779 HydrophobicContact CB-CE3 4.17Å; R777-W779 HydrophobicContact CB-CZ3 4.2Å; R777-W779 HydrophobicContact CG-CD2 4.37Å; R777-W779 HydrophobicContact CG-CE3 3.54Å; R777-W779 HydrophobicContact CG-CZ3 4.01Å
778	L	90.7	Very high	81.1	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	125.8	169.8	-58.6	174.4	0	0	0	108.7	I661 R676 D685 G686 H718 A719 A796 L798	I661-L778 HydrophobicContact CD1-CD1 3.66Å; I661-L778 HydrophobicContact CD1-CG 4.31Å; R676-L778 HydrophobicContact CG-CB 3.8Å; R676-L778 HydrophobicContact CG-CD1 4.34Å; D685-L778 CarbonylContact C-O 3.59Å; D685-L778 VanDerWaalsContact CA-O 3.3Å; D685-L778 WeakPolarHBondContact CA-O 3.29Å; G686-L778 PolarHBondContact N-O 2.92Å; G686-L778 PolarHBondContact O-N 2.94Å; H718-L778 WeakPolarHBondContact O-CA 3.48Å; A719-L778 HydrophobicContact CB-CD2 3.46Å; A719-L778 VanDerWaalsContact CB-CD2 3.46Å; L778-A796 HydrophobicContact CB-CB 4.4Å; L778-A796 HydrophobicContact CD2-CB 3.75Å; L778-L798 HydrophobicContact CD1-CD1 4.21Å; L778-L798 HydrophobicContact CD1-CG 4.07Å; L778-L798 HydrophobicContact CD2-CD1 4.4Å; L778-L798 HydrophobicContact CD2-CD2 3.86Å; L778-L798 HydrophobicContact CD2-CG 3.81Å; L778-L798 HydrophobicContact CG-CD1 4.21Å; L778-L798 HydrophobicContact CG-CG 4.1Å
779	W	83.9	Confident	80.5	Confident	24 Å²	24	47.5 Å²	47.5	9%	0.091	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	169.3	178.9	76.1	99.2	0	0	0	111.7	D685 H718 R720 R777 D781	D685-W779 HydrophobicContact CB-CB 4.42Å; D685-W779 WeakPolarHBondContact OD1-CB 3.38Å; H718-W779 HydrophobicContact CB-CD2 3.57Å; H718-W779 HydrophobicContact CB-CE3 3.65Å; H718-W779 HydrophobicContact CB-CG 4.33Å; H718-W779 HydrophobicContact CB-CH2 3.51Å; H718-W779 HydrophobicContact CB-CZ2 3.36Å; H718-W779 HydrophobicContact CB-CZ3 3.65Å; H718-W779 AromaticContact CD2-CD1 3.97Å; H718-W779 AromaticContact CD2-CE2 3.69Å; H718-W779 AromaticContact CD2-NE1 3.35Å; H718-W779 PolarHBondContact CD2-NE1 3.14Å; H718-W779 AromaticContact CG-CE2 3.7Å; H718-W779 AromaticContact CG-CZ2 3.68Å; H718-W779 AromaticContact CG-NE1 3.87Å; H718-W779 PolarHBondContact N-O 2.89Å; H718-W779 PolarHBondContact O-N 3.4Å; R720-W779 HydrophobicContact CB-CH2 4.07Å; R720-W779 HydrophobicContact CB-CZ3 3.76Å; R777-W779 HydrophobicContact CB-CE3 4.17Å; R777-W779 HydrophobicContact CB-CZ3 4.2Å; R777-W779 HydrophobicContact CG-CD2 4.37Å; R777-W779 HydrophobicContact CG-CE3 3.54Å; R777-W779 HydrophobicContact CG-CZ3 4.01Å; W779-D781 PolarHBondContact NE1-OD1 2.9Å
780	N	81.7	Confident	79.9	Confident	11 Å²	11	50.4 Å²	50.4	6%	0.059	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	126.2	178.6	-175.5	-18.6	0	0	0	109.3	P682 E716 C717 D782 Q795	P682-N780 CarbonylContact C-O 3.54Å; P682-N780 HydrophobicContact CB-CB 4.43Å; E716-N780 WeakPolarHBondContact CB-OD1 3.47Å; E716-N780 CarbonylContact O-C 3.51Å; E716-N780 VanDerWaalsContact O-CA 3.27Å; E716-N780 WeakPolarHBondContact O-CA 3.49Å; E716-N780 PolarHBondContact O-OD1 3.29Å; C717-N780 PolarHBondContact SG-ND2 2.83Å; N780-D782 VanDerWaalsContact C-N 3.33Å; N780-D782 VanDerWaalsContact OD1-CB 3.31Å; N780-D782 WeakPolarHBondContact OD1-CB 3.4Å; N780-D782 PolarHBondContact OD1-N 3.23Å; N780-Q795 VanDerWaalsContact ND2-CD 3.3Å; N780-Q795 PolarHBondContact ND2-NE2 3.08Å; N780-Q795 PolarHBondContact ND2-OE1 3Å; N780-Q795 VanDerWaalsContact ND2-OE1 3.13Å
781	D	74.1	Confident	79.6	Confident	99 Å²	99	50.4 Å²	50.4	53%	0.529	29%	0.285	S	S	.	.			trans	-81.3	-11	-177.8	-71.9	-4.9	0	0	0	112.9	E716 H718 W779 E783	E716-D781 PolarHBondContact O-N 3.46Å; H718-D781 IonicContact CD2-OD1 3.45Å; H718-D781 IonicContact CD2-OD2 3.72Å; H718-D781 IonicContact NE2-OD2 3.65Å; H718-D781 PolarHBondContact NE2-OD2 3.49Å; H718-D781 VanDerWaalsContact NE2-OD2 3.13Å; W779-D781 PolarHBondContact NE1-OD1 2.9Å; D781-E783 PolarHBondContact O-N 2.78Å
782	D	71.5	Confident	79.4	Confident	61 Å²	61	50.2 Å²	50.2	33%	0.326	28%	0.284	S	S	.	.			trans	-74.8	82.5	179.4	-174.4	14.8	0	0	0	112.3	P682 E716 N780 S784	P682-D782 VanDerWaalsContact CB-O 3.26Å; P682-D782 WeakPolarHBondContact CB-O 3.43Å; P682-D782 WeakPolarHBondContact CG-O 3.45Å; E716-D782 HydrophobicContact CB-CB 3.99Å; E716-D782 HydrophobicContact CG-CB 4.11Å; N780-D782 VanDerWaalsContact C-N 3.33Å; N780-D782 VanDerWaalsContact OD1-CB 3.31Å; N780-D782 WeakPolarHBondContact OD1-CB 3.4Å; N780-D782 PolarHBondContact OD1-N 3.23Å; D782-S784 PolarHBondContact O-N 3.3Å; D782-S784 WeakPolarHBondContact OD1-CB 3.4Å; D782-S784 PolarHBondContact OD1-N 3.16Å; D782-S784 VanDerWaalsContact OD1-N 3.07Å; D782-S784 PolarHBondContact OD1-OG 2.71Å
783	E	63.4	Low	79.3	Confident	142 Å²	142	51.3 Å²	51.3	66%	0.664	29%	0.288	S	S	*	.			trans	-77.1	-3.7	172.4	-65.5	-164.5	161.5	0	0	113.7	D781 T785 G786	D781-E783 PolarHBondContact O-N 2.78Å; E783-T785 PolarHBondContact O-N 3.29Å; E783-G786 PolarHBondContact O-N 2.85Å
784	S	60.6	Low	79.2	Confident	100 Å²	100	55 Å²	55	70%	0.699	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-29.5	-168.4	69	0	0	0	0	114.1	D782	D782-S784 PolarHBondContact O-N 3.3Å; D782-S784 WeakPolarHBondContact OD1-CB 3.4Å; D782-S784 PolarHBondContact OD1-N 3.16Å; D782-S784 VanDerWaalsContact OD1-N 3.07Å; D782-S784 PolarHBondContact OD1-OG 2.71Å
785	T	59.5	Low	79.1	Confident	84 Å²	84	56.7 Å²	56.7	52%	0.515	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-26	178	64.6	0	0	0	0	113.5	E783 K787	E783-T785 PolarHBondContact O-N 3.29Å; T785-K787 WeakPolarHBondContact O-CG 3.48Å; T785-K787 PolarHBondContact O-N 3.31Å
786	G	63.5	Low	79.2	Confident	47 Å²	47	55.1 Å²	55.1	49%	0.485	31%	0.307	S	S	.	.			trans	53	7.7	-170.2	0	0	0	0	0	114.9	E783	E783-G786 PolarHBondContact O-N 2.85Å
787	K	72.1	Confident	79.3	Confident	149 Å²	149	55.3 Å²	55.3	65%	0.648	31%	0.308	S	S	*	.			trans	-95.3	143.3	-168.6	-81.6	171.7	-173.9	-178.5	0	110.4	T785 S789	T785-K787 WeakPolarHBondContact O-CG 3.48Å; T785-K787 PolarHBondContact O-N 3.31Å; K787-S789 PolarHBondContact O-N 2.89Å
788	P	74.8	Confident	79.7	Confident	69 Å²	69	51.9 Å²	51.9	45%	0.448	30%	0.295	S	S	.	.			trans	-44.6	132.7	161.9	-33.3	40.3	0	0	0	112	D679 K681	D679-P788 HydrophobicContact CB-CB 4.2Å; D679-P788 WeakPolarHBondContact O-CA 3.38Å; D679-P788 VanDerWaalsContact O-CB 3.22Å; D679-P788 WeakPolarHBondContact O-CB 3.29Å; K681-P788 HydrophobicContact CG-CG 4.1Å
789	S	78.4	Confident	79.9	Confident	27 Å²	27	51.9 Å²	51.9	19%	0.189	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-105.7	114.8	173	176.2	0	0	0	0	110.3	D679 S680 K787 V791 A792	D679-S789 WeakPolarHBondContact CA-O 3.02Å; D679-S789 PolarHBondContact N-O 2.98Å; S680-S789 PolarHBondContact O-N 2.93Å; K787-S789 PolarHBondContact O-N 2.89Å; S789-V791 PolarHBondContact O-N 3.13Å; S789-V791 PolarHBondContact OG-N 2.84Å; S789-A792 WeakPolarHBondContact O-CB 3.2Å; S789-A792 PolarHBondContact O-N 3.35Å; S789-A792 PolarHBondContact OG-N 3.28Å
790	S	78.5	Confident	80.3	Confident	76 Å²	76	53.3 Å²	53.3	53%	0.531	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-13.6	175.3	59.9	0	0	0	0	113.8	D679 W793	D679-S790 WeakPolarHBondContact OD1-CA 3.41Å; D679-S790 WeakPolarHBondContact OD1-CB 3.42Å; S790-W793 PolarHBondContact O-NE1 3.1Å; S790-W793 VanDerWaalsContact O-NE1 3.15Å
791	V	84.6	Confident	80.9	Confident	57 Å²	57	53.1 Å²	53.1	35%	0.345	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.4	24.2	176.2	-64.5	0	0	0	0	112.6	S789 W793 Q794	S789-V791 PolarHBondContact O-N 3.13Å; S789-V791 PolarHBondContact OG-N 2.84Å; V791-W793 PolarHBondContact O-N 3.06Å; V791-Q794 HydrophobicContact CB-CB 4.37Å; V791-Q794 HydrophobicContact CB-CG 4.19Å; V791-Q794 WeakPolarHBondContact O-CB 3.36Å; V791-Q794 PolarHBondContact O-N 2.73Å
792	A	87	Confident	81.7	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-53.2	-29.8	177.5	0	0	0	0	0	113.3	R676 S789 Q794 Q795	R676-A792 HydrophobicContact CB-CB 4.49Å; S789-A792 WeakPolarHBondContact O-CB 3.2Å; S789-A792 PolarHBondContact O-N 3.35Å; S789-A792 PolarHBondContact OG-N 3.28Å; A792-Q794 VanDerWaalsContact C-N 3.3Å; A792-Q794 PolarHBondContact O-N 3.25Å; A792-Q795 WeakPolarHBondContact O-CB 3.44Å; A792-Q795 PolarHBondContact O-N 2.92Å
793	W	89.8	Confident	82.5	Confident	23 Å²	23	52.7 Å²	52.7	9%	0.087	29%	0.291	C	S	.	.	H	α-helix	trans	-68.6	-22.1	175.6	57.1	-90.8	0	0	0	114.6	F662 K664 E666 Y673 A675 R676 E678 S790 V791 Q795 Q797	F662-W793 HydrophobicContact CE1-CB 3.66Å; F662-W793 HydrophobicContact CE1-CG 4.46Å; F662-W793 HydrophobicContact CZ-CB 3.84Å; F662-W793 HydrophobicContact CZ-CG 4.19Å; K664-W793 HydrophobicContact CD-CD2 4.28Å; K664-W793 HydrophobicContact CD-CE3 4.26Å; K664-W793 HydrophobicContact CG-CD2 4.21Å; K664-W793 HydrophobicContact CG-CE3 3.77Å; K664-W793 HydrophobicContact CG-CZ3 4.13Å; E666-W793 HydrophobicContact CG-CH2 4.34Å; E666-W793 HydrophobicContact CG-CZ3 3.85Å; E666-W793 WeakPolarHBondContact OE2-CZ3 3.43Å; Y673-W793 HydrophobicContact CE2-CE3 4.13Å; Y673-W793 WeakPolarHBondContact OH-CZ3 3.26Å; A675-W793 HydrophobicContact CB-CB 3.89Å; A675-W793 VanDerWaalsContact CB-O 3.31Å; A675-W793 WeakPolarHBondContact CB-O 3.16Å; R676-W793 WeakPolarHBondContact O-CA 3.4Å; R676-W793 VanDerWaalsContact O-CB 3.26Å; R676-W793 WeakPolarHBondContact O-CB 3.34Å; E678-W793 HydrophobicContact CG-CG 4.37Å; S790-W793 PolarHBondContact O-NE1 3.1Å; S790-W793 VanDerWaalsContact O-NE1 3.15Å; V791-W793 PolarHBondContact O-N 3.06Å; W793-Q795 VanDerWaalsContact C-N 3.31Å; W793-Q797 WeakPolarHBondContact O-CG 3.28Å; W793-Q797 PolarHBondContact O-NE2 3.19Å
794	Q	89.2	Confident	83.5	Confident	78 Å²	78	49.2 Å²	49.2	36%	0.364	28%	0.282	S	S	.	.	H	α-helix	trans	-78.1	-19.2	177.2	-70.3	-172.6	-29.9	0	0	112.6	H713 V791 A792	H713-Q794 PolarHBondContact CD2-O 2.65Å; V791-Q794 HydrophobicContact CB-CB 4.37Å; V791-Q794 HydrophobicContact CB-CG 4.19Å; V791-Q794 WeakPolarHBondContact O-CB 3.36Å; V791-Q794 PolarHBondContact O-N 2.73Å; A792-Q794 VanDerWaalsContact C-N 3.3Å; A792-Q794 PolarHBondContact O-N 3.25Å
795	Q	90.1	Very high	84.9	Confident	37 Å²	37	46.8 Å²	46.8	17%	0.173	26%	0.261	C	S	.	.	H	α-helix	trans	-75.3	-47.2	-166.7	-75.2	176.6	-13.3	0	0	113.4	C712 H713 C717 N780 A792 W793	C712-Q795 WeakPolarHBondContact CA-O 3.39Å; H713-Q795 PolarHBondContact N-O 3.41Å; C717-Q795 HydrophobicContact CB-CB 4.12Å; C717-Q795 WeakPolarHBondContact SG-CB 3.27Å; N780-Q795 VanDerWaalsContact ND2-CD 3.3Å; N780-Q795 PolarHBondContact ND2-NE2 3.08Å; N780-Q795 PolarHBondContact ND2-OE1 3Å; N780-Q795 VanDerWaalsContact ND2-OE1 3.13Å; A792-Q795 WeakPolarHBondContact O-CB 3.44Å; A792-Q795 PolarHBondContact O-N 2.92Å; W793-Q795 VanDerWaalsContact C-N 3.31Å
796	A	90.7	Very high	86.3	Confident	3 Å²	3	44.6 Å²	44.6	3%	0.025	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	137.5	178.8	0	0	0	0	0	109.4	V711 C717 A719 L778	V711-A796 CarbonylContact O-C 3.6Å; V711-A796 WeakPolarHBondContact O-CA 3.47Å; C717-A796 HydrophobicContact CB-CB 4.46Å; A719-A796 HydrophobicContact CB-CB 4.43Å; L778-A796 HydrophobicContact CB-CB 4.4Å; L778-A796 HydrophobicContact CD2-CB 3.75Å
797	Q	94.6	Very high	87.4	Confident	3 Å²	3	48.6 Å²	48.6	1%	0.014	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	134.8	-168.8	-60.6	173.1	3.1	0	0	110.6	Y673 A675 M710 V711 W793	Y673-Q797 HydrophobicContact CD2-CB 3.93Å; Y673-Q797 HydrophobicContact CD2-CG 3.59Å; Y673-Q797 HydrophobicContact CE2-CB 4.48Å; Y673-Q797 VanDerWaalsContact CE2-CD 3.45Å; Y673-Q797 HydrophobicContact CE2-CG 3.65Å; Y673-Q797 HydrophobicContact CG-CB 4.13Å; Y673-Q797 HydrophobicContact CG-CG 4.13Å; Y673-Q797 VanDerWaalsContact CZ-NE2 3.34Å; Y673-Q797 PolarHBondContact OH-NE2 3.33Å; A675-Q797 HydrophobicContact CB-CG 4.35Å; M710-Q797 WeakPolarHBondContact CA-O 3.08Å; V711-Q797 PolarHBondContact N-O 3.04Å; V711-Q797 PolarHBondContact O-N 3.15Å; W793-Q797 WeakPolarHBondContact O-CG 3.28Å; W793-Q797 PolarHBondContact O-NE2 3.19Å
798	L	94.9	Very high	88.2	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	143.3	170.3	-56.9	171	0	0	0	108.7	Y673 L674 I688 M710 A719 A776 L778 R800	Y673-L798 WeakPolarHBondContact CA-O 3.29Å; Y673-L798 WeakPolarHBondContact CB-O 3.19Å; L674-L798 HydrophobicContact CB-CB 4.26Å; L674-L798 PolarHBondContact N-O 2.79Å; L674-L798 PolarHBondContact O-N 3.11Å; I688-L798 HydrophobicContact CG2-CD1 3.98Å; M710-L798 HydrophobicContact CB-CD2 4.44Å; M710-L798 HydrophobicContact CG-CD2 3.63Å; M710-L798 HydrophobicContact SD-CD2 3.75Å; A719-L798 HydrophobicContact CB-CD2 4.48Å; A776-L798 HydrophobicContact CB-CD1 3.56Å; A776-L798 HydrophobicContact CB-CD2 4.17Å; L778-L798 HydrophobicContact CD1-CD1 4.21Å; L778-L798 HydrophobicContact CD1-CG 4.07Å; L778-L798 HydrophobicContact CD2-CD1 4.4Å; L778-L798 HydrophobicContact CD2-CD2 3.86Å; L778-L798 HydrophobicContact CD2-CG 3.81Å; L778-L798 HydrophobicContact CG-CD1 4.21Å; L778-L798 HydrophobicContact CG-CG 4.1Å; L798-R800 PolarHBondContact O-N 2.96Å
799	F	94.8	Very high	89.2	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	65.4	36	166.6	-44.8	-32.4	0	0	0	113.8	Y593 S595 L674 W690 T708 N709 Q801 S810 L811	Y593-F799 AromaticContact CD1-CD2 3.83Å; Y593-F799 HydrophobicContact CD1-CD2 3.83Å; Y593-F799 HydrophobicContact CD1-CE2 4.4Å; Y593-F799 HydrophobicContact CD1-CG 4.37Å; Y593-F799 HydrophobicContact CE1-CD2 4.06Å; S595-F799 WeakPolarHBondContact CB-O 3.45Å; S595-F799 WeakPolarHBondContact OG-CB 3.44Å; S595-F799 PolarHBondContact OG-O 3.39Å; L674-F799 HydrophobicContact CB-CD2 4.48Å; L674-F799 HydrophobicContact CD1-CD2 3.62Å; L674-F799 HydrophobicContact CD1-CE2 3.76Å; L674-F799 HydrophobicContact CG-CD2 3.92Å; W690-F799 AromaticContact CH2-CE2 3.87Å; W690-F799 HydrophobicContact CH2-CE2 3.87Å; W690-F799 AromaticContact CH2-CZ 3.72Å; W690-F799 HydrophobicContact CH2-CZ 3.72Å; W690-F799 HydrophobicContact CZ2-CE2 4.15Å; W690-F799 HydrophobicContact CZ2-CZ 4.29Å; T708-F799 WeakPolarHBondContact OG1-CD1 3.42Å; T708-F799 WeakPolarHBondContact OG1-CE1 3.48Å; N709-F799 PolarHBondContact O-N 2.95Å; N709-F799 WeakPolarHBondContact OD1-CA 3.33Å; F799-Q801 PolarHBondContact O-N 2.9Å; F799-S810 WeakPolarHBondContact CD1-O 3.39Å; F799-S810 PolarHBondContact O-OG 2.68Å; F799-L811 HydrophobicContact CD1-CB 4.07Å; F799-L811 HydrophobicContact CE1-CB 3.75Å; F799-L811 HydrophobicContact CE1-CD1 4.01Å; F799-L811 HydrophobicContact CE1-CD2 4.32Å; F799-L811 HydrophobicContact CE1-CG 4.24Å; F799-L811 HydrophobicContact CE2-CD2 4.41Å; F799-L811 HydrophobicContact CZ-CB 4.03Å; F799-L811 HydrophobicContact CZ-CD1 4.26Å; F799-L811 HydrophobicContact CZ-CD2 3.84Å; F799-L811 HydrophobicContact CZ-CG 4.26Å
800	R	92.8	Very high	89.9	Confident	53 Å²	53	40.6 Å²	40.6	20%	0.2	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	108.1	-176.7	-171.5	-173.5	178.9	77.8	-1.5	112.9	E666 M671 V672 Y673 N709 V711 L798	E666-R800 IonicContact OE1-CZ 2.71Å; E666-R800 IonicContact OE1-NH1 3.95Å; E666-R800 PolarHBondContact OE1-NH1 3.19Å; E666-R800 VanDerWaalsContact OE1-NH1 3.09Å; E666-R800 IonicContact OE1-NH2 2.74Å; M671-R800 HydrophobicContact SD-CG 4.27Å; V672-R800 WeakPolarHBondContact O-CA 3.41Å; Y673-R800 HydrophobicContact CD1-CB 4.47Å; Y673-R800 HydrophobicContact CD1-CG 3.95Å; N709-R800 PolarHBondContact ND2-N 3.3Å; N709-R800 PolarHBondContact ND2-O 3.43Å; V711-R800 HydrophobicContact CG2-CB 4.44Å; L798-R800 PolarHBondContact O-N 2.96Å
801	Q	93.4	Very high	90.7	Very high	7 Å²	7	37 Å²	37	3%	0.033	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	155.2	-174.2	-170.3	167.2	-1	0	0	110.2	A596 M671 V672 F799 D805 T808 S810	A596-Q801 HydrophobicContact CB-CG 4.41Å; M671-Q801 CarbonylContact C-O 3.56Å; M671-Q801 WeakPolarHBondContact CA-O 3.48Å; V672-Q801 HydrophobicContact CG1-CB 4.03Å; V672-Q801 WeakPolarHBondContact CG1-O 3.36Å; V672-Q801 PolarHBondContact N-O 2.8Å; V672-Q801 PolarHBondContact O-N 3.18Å; F799-Q801 PolarHBondContact O-N 2.9Å; Q801-D805 HydrophobicContact CG-CB 4.24Å; Q801-D805 PolarHBondContact NE2-O 3.37Å; Q801-T808 PolarHBondContact NE2-O 3.35Å; Q801-S810 WeakPolarHBondContact CB-OG 3.31Å; Q801-S810 PolarHBondContact OE1-OG 2.89Å
802	K	92.6	Very high	91.3	Very high	124 Å²	124	37 Å²	37	54%	0.539	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	138.6	166.1	-69.5	-179.1	179.7	177.6	0	109.2	H670 M671 S804 D805	H670-K802 CarbonylContact O-C 3.58Å; H670-K802 VanDerWaalsContact O-CA 3.25Å; H670-K802 WeakPolarHBondContact O-CA 3.48Å; M671-K802 HydrophobicContact CE-CG 3.89Å; M671-K802 HydrophobicContact SD-CG 4.1Å; K802-S804 PolarHBondContact O-N 3.26Å; K802-D805 HydrophobicContact CB-CB 4.01Å; K802-D805 PolarHBondContact O-N 3.09Å; K802-D805 VanDerWaalsContact O-N 3.08Å
803	D	87.2	Confident	91.8	Very high	28 Å²	28	37 Å²	37	15%	0.15	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-14.7	179.4	69.5	-7.9	0	0	0	114.3	H670 F806	H670-D803 WeakPolarHBondContact CA-OD2 3.33Å; H670-D803 WeakPolarHBondContact CB-OD1 3.4Å; H670-D803 IonicContact CG-OD1 2.78Å; H670-D803 IonicContact CG-OD2 3.31Å; H670-D803 IonicContact ND1-OD1 3.69Å; H670-D803 IonicContact ND1-OD2 3.51Å; H670-D803 PolarHBondContact ND1-OD2 3Å; H670-D803 PolarHBondContact O-N 3.08Å; D803-F806 VanDerWaalsContact O-CE1 3.3Å; D803-F806 WeakPolarHBondContact O-CE1 3.32Å
804	S	85.3	Confident	92.1	Very high	69 Å²	69	38.9 Å²	38.9	48%	0.483	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-6.1	-178.7	42.2	0	0	0	0	113.7	K802	K802-S804 PolarHBondContact O-N 3.26Å
805	D	89.3	Confident	92.5	Very high	48 Å²	48	35.1 Å²	35.1	26%	0.257	18%	0.176	S	C	.	.			trans	-88.9	105.7	175.5	179.1	-0.5	0	0	0	108.6	A596 Q801 K802 D807 T808	A596-D805 VanDerWaalsContact CB-O 3.25Å; A596-D805 WeakPolarHBondContact CB-O 3.33Å; Q801-D805 HydrophobicContact CG-CB 4.24Å; Q801-D805 PolarHBondContact NE2-O 3.37Å; K802-D805 HydrophobicContact CB-CB 4.01Å; K802-D805 PolarHBondContact O-N 3.09Å; K802-D805 VanDerWaalsContact O-N 3.08Å; D805-D807 PolarHBondContact OD1-N 3.27Å; D805-T808 VanDerWaalsContact CG-OG1 3.27Å; D805-T808 PolarHBondContact OD1-N 2.97Å; D805-T808 PolarHBondContact OD1-OG1 3.23Å; D805-T808 VanDerWaalsContact OD1-OG1 3.13Å; D805-T808 WeakPolarHBondContact OD2-CB 3.34Å; D805-T808 PolarHBondContact OD2-OG1 3.45Å
806	F	88.3	Confident	92.9	Very high	38 Å²	38	37.1 Å²	37.1	17%	0.167	19%	0.185	C	C	.	.			trans	-100.2	-13.3	179.3	-50.6	-42.4	0	0	0	112.8	N594 A596 L597 I632 S636 D803	N594-F806 PolarHBondContact ND2-O 3.25Å; A596-F806 HydrophobicContact CB-CD1 3.94Å; A596-F806 HydrophobicContact CB-CE1 4.23Å; L597-F806 HydrophobicContact CD1-CB 4.31Å; L597-F806 HydrophobicContact CD2-CB 4.24Å; L597-F806 HydrophobicContact CD2-CD1 3.52Å; L597-F806 HydrophobicContact CD2-CE1 4.02Å; L597-F806 HydrophobicContact CD2-CG 3.91Å; L597-F806 HydrophobicContact CG-CB 4.34Å; L597-F806 HydrophobicContact CG-CD1 4.03Å; L597-F806 HydrophobicContact CG-CG 4.44Å; I632-F806 HydrophobicContact CG1-CZ 4.42Å; S636-F806 WeakPolarHBondContact OG-CB 3.46Å; S636-F806 WeakPolarHBondContact OG-CD2 3.49Å; D803-F806 VanDerWaalsContact O-CE1 3.3Å; D803-F806 WeakPolarHBondContact O-CE1 3.32Å
807	D	86.9	Confident	93.2	Very high	131 Å²	131	37.5 Å²	37.5	70%	0.701	19%	0.187	S	C	*	.	S	Bend	trans	-86.4	-28.4	-172.9	-59.7	-38.5	0	0	0	111.2	D805	D805-D807 PolarHBondContact OD1-N 3.27Å
808	T	89.9	Confident	93.1	Very high	56 Å²	56	41.2 Å²	41.2	34%	0.344	21%	0.21	S	C	.	.			trans	-81.9	137.1	178.1	-53.6	0	0	0	0	112	N594 Q801 D805	N594-T808 PolarHBondContact ND2-O 2.98Å; Q801-T808 PolarHBondContact NE2-O 3.35Å; D805-T808 VanDerWaalsContact CG-OG1 3.27Å; D805-T808 PolarHBondContact OD1-N 2.97Å; D805-T808 PolarHBondContact OD1-OG1 3.23Å; D805-T808 VanDerWaalsContact OD1-OG1 3.13Å; D805-T808 WeakPolarHBondContact OD2-CB 3.34Å; D805-T808 PolarHBondContact OD2-OG1 3.45Å
809	W	94	Very high	93	Very high	22 Å²	22	46 Å²	46	8%	0.083	23%	0.231	C	C	.	.			trans	-103.8	114.2	171.9	-68.2	82	0	0	0	109.2	R592 Y593 N594 I599 Q601 F707 L811 E812	R592-W809 VanDerWaalsContact C-CE3 3.46Å; R592-W809 HydrophobicContact CB-CB 4.25Å; R592-W809 HydrophobicContact CB-CD2 3.89Å; R592-W809 HydrophobicContact CB-CE3 3.54Å; R592-W809 HydrophobicContact CB-CG 4.19Å; R592-W809 HydrophobicContact CB-CZ3 4.22Å; R592-W809 VanDerWaalsContact CD-CD2 3.41Å; R592-W809 HydrophobicContact CG-CD2 3.65Å; R592-W809 HydrophobicContact CG-CE3 3.39Å; R592-W809 HydrophobicContact CG-CG 4.28Å; R592-W809 HydrophobicContact CG-CH2 4.21Å; R592-W809 HydrophobicContact CG-CZ2 4.42Å; R592-W809 HydrophobicContact CG-CZ3 3.7Å; R592-W809 VanDerWaalsContact NE-CE2 3.32Å; R592-W809 WeakPolarHBondContact O-CZ3 3.42Å; Y593-W809 CarbonylContact O-C 3.6Å; N594-W809 HydrophobicContact CB-CD2 4.19Å; N594-W809 HydrophobicContact CB-CE3 3.7Å; N594-W809 HydrophobicContact CB-CH2 4.18Å; N594-W809 HydrophobicContact CB-CZ3 3.71Å; I599-W809 HydrophobicContact CD1-CH2 4.22Å; I599-W809 HydrophobicContact CG1-CH2 4.18Å; I599-W809 HydrophobicContact CG1-CZ3 4.39Å; Q601-W809 HydrophobicContact CB-CH2 3.45Å; Q601-W809 VanDerWaalsContact CB-CH2 3.45Å; Q601-W809 HydrophobicContact CB-CZ2 4.2Å; Q601-W809 HydrophobicContact CB-CZ3 3.89Å; Q601-W809 HydrophobicContact CG-CH2 4.46Å; F707-W809 VanDerWaalsContact CD1-O 3.28Å; F707-W809 WeakPolarHBondContact CD1-O 3.43Å; F707-W809 WeakPolarHBondContact CE1-O 3.36Å; W809-L811 PolarHBondContact O-N 3.42Å; W809-E812 HydrophobicContact CB-CG 3.74Å
810	S	94.2	Very high	92.7	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.25	C	C	.	.	S	Bend	trans	-73.4	-16.9	-173.4	-68.5	0	0	0	0	114.1	Y593 T708 N709 F799 Q801	Y593-S810 PolarHBondContact O-N 3.38Å; T708-S810 WeakPolarHBondContact CA-O 3.49Å; N709-S810 PolarHBondContact OD1-O 3.04Å; N709-S810 VanDerWaalsContact OD1-O 3.11Å; F799-S810 WeakPolarHBondContact CD1-O 3.39Å; F799-S810 PolarHBondContact O-OG 2.68Å; Q801-S810 WeakPolarHBondContact CB-OG 3.31Å; Q801-S810 PolarHBondContact OE1-OG 2.89Å
811	L	95.8	Very high	91.8	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	130.8	165.5	174.5	68.4	0	0	0	108.1	R592 Y593 W690 F707 L774 F799 W809	R592-L811 CarbonylContact C-O 3.52Å; R592-L811 WeakPolarHBondContact CA-O 3.33Å; R592-L811 WeakPolarHBondContact CB-O 3.34Å; Y593-L811 PolarHBondContact N-O 3.48Å; Y593-L811 PolarHBondContact O-N 2.94Å; W690-L811 HydrophobicContact CH2-CD2 4.33Å; W690-L811 HydrophobicContact CZ2-CD2 4.07Å; F707-L811 CarbonylContact O-C 3.45Å; F707-L811 WeakPolarHBondContact O-CA 3.33Å; L774-L811 HydrophobicContact CD2-CD1 4.49Å; F799-L811 HydrophobicContact CD1-CB 4.07Å; F799-L811 HydrophobicContact CE1-CB 3.75Å; F799-L811 HydrophobicContact CE1-CD1 4.01Å; F799-L811 HydrophobicContact CE1-CD2 4.32Å; F799-L811 HydrophobicContact CE1-CG 4.24Å; F799-L811 HydrophobicContact CE2-CD2 4.41Å; F799-L811 HydrophobicContact CZ-CB 4.03Å; F799-L811 HydrophobicContact CZ-CD1 4.26Å; F799-L811 HydrophobicContact CZ-CD2 3.84Å; F799-L811 HydrophobicContact CZ-CG 4.26Å; W809-L811 PolarHBondContact O-N 3.42Å
812	E	96.8	Very high	89.6	Confident	58 Å²	58	60.8 Å²	60.8	27%	0.271	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	120.5	163	-56.9	-171.9	-98.4	0	0	108.1	H590 R592 I706 F707 W809	H590-E812 IonicContact CE1-OE2 3.49Å; H590-E812 PolarHBondContact CE1-OE2 2.77Å; H590-E812 IonicContact NE2-OE2 3.59Å; H590-E812 PolarHBondContact NE2-OE2 2.7Å; R592-E812 HydrophobicContact CB-CB 4.42Å; R592-E812 HydrophobicContact CB-CG 3.96Å; I706-E812 CarbonylContact C-O 3.56Å; I706-E812 VanDerWaalsContact CA-O 3.27Å; I706-E812 WeakPolarHBondContact CA-O 3.46Å; F707-E812 HydrophobicContact CB-CB 4Å; F707-E812 HydrophobicContact CB-CG 4.4Å; F707-E812 PolarHBondContact N-O 3.06Å; F707-E812 PolarHBondContact O-N 3.4Å; W809-E812 HydrophobicContact CB-CG 3.74Å
813	W	96.9	Very high	86.9	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	99	175.3	-178.4	22.3	0	0	0	108.4	F589 H590 L591 W690 L692 L723 L772 L774	F589-W813 HydrophobicContact CE1-CD2 4.37Å; F589-W813 HydrophobicContact CE1-CE3 4.25Å; H590-W813 WeakPolarHBondContact CA-O 3.28Å; L591-W813 HydrophobicContact CD2-CE3 4.29Å; L591-W813 PolarHBondContact N-O 2.98Å; L591-W813 PolarHBondContact O-N 3.11Å; W690-W813 HydrophobicContact CB-CE3 4.41Å; W690-W813 HydrophobicContact CB-CZ3 3.74Å; L692-W813 HydrophobicContact CB-CH2 3.69Å; L692-W813 HydrophobicContact CB-CZ2 4.18Å; L692-W813 HydrophobicContact CB-CZ3 4.41Å; L723-W813 HydrophobicContact CD1-CZ2 3.98Å; L772-W813 HydrophobicContact CB-CH2 4.31Å; L772-W813 HydrophobicContact CB-CZ2 3.79Å; L772-W813 HydrophobicContact CD1-CZ2 4.04Å; L774-W813 HydrophobicContact CB-CE3 4.36Å; L774-W813 HydrophobicContact CB-CH2 4.03Å; L774-W813 HydrophobicContact CB-CZ2 4.23Å; L774-W813 HydrophobicContact CB-CZ3 4.11Å; L774-W813 HydrophobicContact CD2-CB 4.48Å; L774-W813 HydrophobicContact CD2-CD2 3.94Å; L774-W813 HydrophobicContact CD2-CE3 3.94Å; L774-W813 HydrophobicContact CD2-CG 4.2Å; L774-W813 HydrophobicContact CD2-CZ3 4.49Å
814	K	97.5	Very high	84.4	Confident	61 Å²	61	65.5 Å²	65.5	27%	0.265	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	132.7	-178.9	-175.9	-176	177.9	-171.1	0	109.7	I588 F589 H590 V704 S705	I588-K814 HydrophobicContact CG2-CD 4.41Å; I588-K814 HydrophobicContact CG2-CG 3.94Å; F589-K814 CarbonylContact O-C 3.59Å; F589-K814 WeakPolarHBondContact O-CA 3.36Å; H590-K814 HydrophobicContact CB-CB 4.5Å; H590-K814 HydrophobicContact CB-CG 4.3Å; V704-K814 WeakPolarHBondContact CA-O 3.47Å; S705-K814 PolarHBondContact N-O 2.85Å; S705-K814 PolarHBondContact O-N 3.42Å
815	V	97.4	Very high	81.7	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	117.5	-179.7	-176.6	0	0	0	0	107.9	F589 L692 V701 K703 V704 L772 L817	F589-V815 HydrophobicContact CB-CB 4.29Å; F589-V815 HydrophobicContact CD1-CB 4.15Å; F589-V815 HydrophobicContact CD1-CG2 3.97Å; F589-V815 PolarHBondContact N-O 3.45Å; F589-V815 PolarHBondContact O-N 3.08Å; L692-V815 HydrophobicContact CD2-CB 4.45Å; L692-V815 HydrophobicContact CD2-CG1 4.49Å; L692-V815 HydrophobicContact CD2-CG2 4.09Å; V701-V815 HydrophobicContact CB-CG1 4.38Å; V701-V815 HydrophobicContact CG1-CG1 4.01Å; V701-V815 HydrophobicContact CG2-CG1 4.01Å; K703-V815 WeakPolarHBondContact O-CA 3.11Å; V704-V815 HydrophobicContact CG1-CG2 4.31Å; V704-V815 HydrophobicContact CG2-CG1 4.34Å; V704-V815 HydrophobicContact CG2-CG2 4.28Å; L772-V815 HydrophobicContact CD1-CG1 4.25Å; L772-V815 HydrophobicContact CD1-CG2 3.96Å; V815-L817 HydrophobicContact CG1-CD2 3.93Å
816	E	97.2	Very high	81.3	Confident	78 Å²	78	73.8 Å²	73.8	36%	0.364	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	128.7	168.5	-65.3	176.3	-165.8	0	0	108.4	G702 K703	G702-E816 PolarHBondContact N-O 3.14Å; K703-E816 HydrophobicContact CB-CB 4.28Å; K703-E816 HydrophobicContact CB-CG 4.39Å; K703-E816 PolarHBondContact O-N 3.26Å
817	L	96.6	Very high	81	Confident	12 Å²	12	75.7 Å²	75.7	6%	0.063	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	125	-175.3	-56.3	177.5	0	0	0	109.4	P579 L584 G587 F589 L694 Y699 R700 V815	P579-L817 HydrophobicContact CB-CD1 4.43Å; P579-L817 HydrophobicContact CG-CD1 4.32Å; L584-L817 HydrophobicContact CD2-CD1 3.99Å; G587-L817 PolarHBondContact O-N 3.13Å; F589-L817 HydrophobicContact CB-CD1 4.17Å; F589-L817 HydrophobicContact CB-CD2 4.43Å; F589-L817 HydrophobicContact CB-CG 4.43Å; L694-L817 HydrophobicContact CD1-CD2 3.86Å; L694-L817 HydrophobicContact CD2-CD2 4.02Å; Y699-L817 HydrophobicContact CD1-CB 3.92Å; Y699-L817 HydrophobicContact CG-CB 4.43Å; R700-L817 CarbonylContact O-C 3.52Å; R700-L817 WeakPolarHBondContact O-CA 3.42Å; V815-L817 HydrophobicContact CG1-CD2 3.93Å
818	V	94.1	Very high	80.7	Confident	81 Å²	81	72.6 Å²	72.6	49%	0.491	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	124.7	-179.9	-177.8	0	0	0	0	108.6	Y699 R700	Y699-V818 CarbonylContact C-O 3.58Å; Y699-V818 VanDerWaalsContact CA-O 3.29Å; Y699-V818 WeakPolarHBondContact CA-O 3.49Å; R700-V818 PolarHBondContact N-O 2.76Å; R700-V818 PolarHBondContact O-N 3.07Å
819	K	92.7	Very high	80.1	Confident	100 Å²	100	73.6 Å²	73.6	44%	0.435	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	135.1	176.5	-163.6	179	178.2	-169.2	0	109.6	N698 Y699 N821	N698-K819 CarbonylContact O-C 3.55Å; N698-K819 WeakPolarHBondContact O-CA 3.4Å; Y699-K819 HydrophobicContact CD1-CB 4.06Å; Y699-K819 HydrophobicContact CE1-CB 3.76Å; Y699-K819 HydrophobicContact CE1-CG 4.19Å; K819-N821 PolarHBondContact O-N 3.41Å; K819-N821 VanDerWaalsContact O-N 3.16Å
820	I	87.9	Confident	79.2	Confident	78 Å²	78	76.8 Å²	76.8	40%	0.4	40%	0.403	S	S	.	.			trans	-66.4	113.8	171.2	-54.8	166.2	0	0	0	106.1	N698 R700 E822	N698-I820 WeakPolarHBondContact O-CG1 3.37Å; N698-I820 PolarHBondContact O-N 2.99Å; R700-I820 HydrophobicContact CG-CD1 4.24Å; R700-I820 HydrophobicContact CG-CG1 3.86Å; I820-E822 PolarHBondContact O-N 3.05Å
821	N	73.6	Confident	78.2	Confident	136 Å²	136	81.9 Å²	81.9	73%	0.727	43%	0.429	S	S	*	.			trans	-57.2	125.6	178.7	-77.5	-19.5	0	0	0	109.7	K819 T823	K819-N821 PolarHBondContact O-N 3.41Å; K819-N821 VanDerWaalsContact O-N 3.16Å; N821-T823 PolarHBondContact O-N 2.95Å
822	E	47.5	Very low	77	Confident	156 Å²	156	87.8 Å²	87.8	73%	0.729	46%	0.46	S	S	*	.	S	Bend	trans	-57.4	104.8	156.4	-73.9	169.2	-172.3	0	0	106.5	I820	I820-E822 PolarHBondContact O-N 3.05Å
823	T	36.2	Very low	75.5	Confident	113 Å²	113	90.1 Å²	90.1	69%	0.693	48%	0.475	S	S	*	.			trans	40.6	107.6	164.2	42.1	0	0	0	0	117.1	N821 N825	N821-T823 PolarHBondContact O-N 2.95Å; T823-N825 PolarHBondContact O-N 3.37Å
824	V	34.6	Very low	73.7	Confident	138 Å²	138	97.6 Å²	97.6	84%	0.836	51%	0.514	S	S	*	.			trans	-62.7	113.5	136.1	-179.5	0	0	0	0	105.2
825	N	28.9	Very low	71.5	Confident	218 Å²	218	100.9 Å²	100.9	100%	1.166	54%	0.537	S	S	*	.			trans	-47.7	0	171.6	-84.2	-33.8	0	0	0	112.5	T823	T823-N825 PolarHBondContact O-N 3.37Å

Retrieved 825 of 825 residues in 1541.5 ms (Link to these results)

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