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Phosphatidylglycerol lysyltransferase

Catalyzes the transfer of a lysyl group from L-lysyl-tRNA(Lys) to membrane-bound phosphatidylglycerol (PG), which produces lysylphosphatidylglycerol (LPG), a major component of the bacterial membrane with a positive net charge. LPG synthesis contributes to bacterial virulence as it is involved in the resistance mechanism against cationic antimicrobial peptides (CAMP) produces by the host's immune system (defensins, cathelicidins) and by the competing microorganisms (bacteriocins). In fact, the modification of anionic phosphatidylglycerol with positively charged L-lysine results in repulsion of the peptides. Consequently, MprF is shown to affect resistance and susceptibility to moenomycin and vancomycin, resistance to human defensins (HNP1-3) and evasion of oxygen-independent neutrophil killing and susceptibility to methicillin, oxacillin, bacitracin, gentamicin, beta-lactams and synthetic peptides (hBD3, CAP18) and other cationic antimicrobial peptides.

AlphaFold DB (Q2G2M2), UniProt , Accession Q9AIV3, Species STAAU (Staphylococcus aureus), Gene mprF, Length 840 aa.

						>MPRF_STAAU|Q9AIV3|mprF
MNQEVKNKIFSILKITFATALFIFVAITLYRELSGINFKDTLVEFSKINRMSLVLLFIGGGASLVILSMYDVILSRALKMDISLGKVLRVSYIINALNAIVGFGGFIGAGVRAMVYKNYTHDKKKLVHFISLILISMLTGLSLLSLLIVFHVFDASLILDKITWVRWVLYVVSFFLPLFIIYSMVRPPDKNNRFVGLYCTLVSCVEWLAAAVVLYFCGVIVDAHVSFMSFIAIFIIAALSGLVSFIPGGFGAFDLVVLLGFKTLGVPEEKVLLMLLLYRFAYYFVPVIIALILSSFEFGTSAKKYIEGSKYFIPAKDVTSFLMSYQKDIIAKIPSLSLAILVFFTSMIFFVNNLTIVYDALYDGNHLTYYILLAIHTSACLLLLLNVVGIYKQSRRAIIFAMISILLITVATFFTYASYILITWLAIIFVLLIVAFRRARRLKRPVRMRNIVAMLLFSLFILYVNHIFIAGTLYALDIYTIEMHTSVLRYYFWLTILIIAIIIGMIAWLFDYQFSKVRISSKIEDCEEIINQYGGNYLSHLIYSGDKQFFTNENKTAFLMYRYKASSLVVLGDPLGDENAFDELLEAFYNYAEYLGYDVIFYQVTDQHMPLYHNFGNQFFKLGEEAIIDLTQFSTSGKKRRGFRATLNKFDELNISFEIIEPPFSTEFINELQHVSDLWLDNRQEMHFSVGEFNEEYLSKAPIGVMRNEENEVIAFCSLMPTYFNDAISVDLIRWLPELDLPLMDGLYLHMLLWSKEQGYTKFNMGMATLSNVGQLHYSYLRERLAGRVFEHFNGLYRFQGLRRYKSKYNPNWEPRFLVYRKDNSLWESLSKVMRVIRHK
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	55.6	Low	72.7	Confident	171 Å²	171	115.9 Å²	115.9	84%	0.842	57%	0.574	S	S	*	*				0	118.6	0	-164.5	167.6	80	0	0	108.3	V5 K6 I9	M1-V5 HydrophobicContact CG-CB 4.24Å; M1-V5 HydrophobicContact CG-CG1 3.99Å; M1-V5 HydrophobicContact SD-CG1 4.49Å; M1-K6 HydrophobicContact CE-CB 3.88Å; M1-K6 HydrophobicContact CE-CD 4.48Å; M1-K6 HydrophobicContact CE-CG 3.97Å; M1-I9 HydrophobicContact CE-CD1 4.46Å; M1-I9 HydrophobicContact SD-CD1 4.05Å
2	N	74	Confident	73.3	Confident	119 Å²	119	114.3 Å²	114.3	64%	0.636	57%	0.567	S	S	*	*			trans	-66.3	147.5	-173.2	-135.9	-2.4	0	0	0	111.3	E4 V5 K6	N2-E4 PolarHBondContact O-N 3.39Å; N2-V5 HydrophobicContact CB-CG2 4.18Å; N2-V5 WeakPolarHBondContact O-CB 3.43Å; N2-V5 PolarHBondContact O-N 3.09Å; N2-K6 PolarHBondContact O-N 3.47Å
3	Q	73.8	Confident	73.7	Confident	154 Å²	154	113.4 Å²	113.4	72%	0.72	57%	0.565	S	S	*	*	H	α-helix	trans	-61.7	-31.4	-172.9	-160.5	152.3	-15.8	0	0	112.7	K6 N7	Q3-K6 PolarHBondContact O-N 2.76Å; Q3-N7 PolarHBondContact O-N 2.87Å
4	E	71.4	Confident	73.5	Confident	154 Å²	154	115.9 Å²	115.9	72%	0.72	57%	0.571	S	S	*	*	H	α-helix	trans	-63.4	-44.1	170.4	-69.1	-173.1	154.8	0	0	112.9	N2 K6 N7 K8	N2-E4 PolarHBondContact O-N 3.39Å; E4-K6 VanDerWaalsContact C-N 3.33Å; E4-K6 PolarHBondContact O-N 3.2Å; E4-N7 PolarHBondContact O-N 3.18Å; E4-K8 WeakPolarHBondContact O-CB 3.39Å; E4-K8 PolarHBondContact O-N 3.49Å
5	V	77.3	Confident	73.5	Confident	70 Å²	70	115.1 Å²	115.1	42%	0.424	57%	0.568	S	S	.	*	H	α-helix	trans	-63.8	-41.7	178.5	178.8	0	0	0	0	109.9	M1 N2 K8 I9	M1-V5 HydrophobicContact CG-CB 4.24Å; M1-V5 HydrophobicContact CG-CG1 3.99Å; M1-V5 HydrophobicContact SD-CG1 4.49Å; N2-V5 HydrophobicContact CB-CG2 4.18Å; N2-V5 WeakPolarHBondContact O-CB 3.43Å; N2-V5 PolarHBondContact O-N 3.09Å; V5-K8 PolarHBondContact O-N 3.07Å; V5-I9 HydrophobicContact CG1-CD1 3.7Å; V5-I9 HydrophobicContact CG1-CG1 4.32Å; V5-I9 WeakPolarHBondContact O-CB 3.11Å; V5-I9 VanDerWaalsContact O-CG1 3.24Å; V5-I9 WeakPolarHBondContact O-CG1 3.12Å; V5-I9 PolarHBondContact O-N 3.1Å
6	K	75.8	Confident	73.9	Confident	108 Å²	108	112.9 Å²	112.9	47%	0.47	56%	0.564	S	S	.	*	H	α-helix	trans	-61.1	-47.7	174.9	-170	174.8	178.6	-179.1	0	111.5	M1 N2 Q3 E4 K8 I9 F10	M1-K6 HydrophobicContact CE-CB 3.88Å; M1-K6 HydrophobicContact CE-CD 4.48Å; M1-K6 HydrophobicContact CE-CG 3.97Å; N2-K6 PolarHBondContact O-N 3.47Å; Q3-K6 PolarHBondContact O-N 2.76Å; E4-K6 VanDerWaalsContact C-N 3.33Å; E4-K6 PolarHBondContact O-N 3.2Å; K6-K8 VanDerWaalsContact C-N 3.34Å; K6-K8 PolarHBondContact O-N 3.24Å; K6-I9 PolarHBondContact O-N 2.96Å; K6-F10 HydrophobicContact CD-CE2 4.48Å; K6-F10 HydrophobicContact CG-CD2 3.82Å; K6-F10 HydrophobicContact CG-CE2 3.93Å; K6-F10 WeakPolarHBondContact O-CB 3.5Å; K6-F10 WeakPolarHBondContact O-CD2 3.24Å; K6-F10 PolarHBondContact O-N 2.93Å
7	N	73.3	Confident	74	Confident	105 Å²	105	114.6 Å²	114.6	56%	0.561	57%	0.567	S	S	*	*	H	α-helix	trans	-63.3	-39.2	178.2	-74.5	-11.4	0	0	0	112.3	Q3 E4 S11	Q3-N7 PolarHBondContact O-N 2.87Å; E4-N7 PolarHBondContact O-N 3.18Å; N7-S11 WeakPolarHBondContact O-CB 3.28Å; N7-S11 PolarHBondContact O-N 3.45Å
8	K	75.8	Confident	73.6	Confident	150 Å²	150	111.2 Å²	111.2	65%	0.652	56%	0.559	S	S	*	*	H	α-helix	trans	-67	-45	177.3	-152.7	174.1	-173	179.4	0	111.4	E4 V5 K6 S11 I12	E4-K8 WeakPolarHBondContact O-CB 3.39Å; E4-K8 PolarHBondContact O-N 3.49Å; V5-K8 PolarHBondContact O-N 3.07Å; K6-K8 VanDerWaalsContact C-N 3.34Å; K6-K8 PolarHBondContact O-N 3.24Å; K8-S11 PolarHBondContact O-N 2.85Å; K8-I12 HydrophobicContact CG-CD1 4.28Å; K8-I12 WeakPolarHBondContact O-CB 3.25Å; K8-I12 WeakPolarHBondContact O-CD1 3.47Å; K8-I12 VanDerWaalsContact O-CG1 3.22Å; K8-I12 WeakPolarHBondContact O-CG1 3.33Å; K8-I12 PolarHBondContact O-N 3.28Å
9	I	78.3	Confident	73.7	Confident	71 Å²	71	108.9 Å²	108.9	36%	0.364	55%	0.552	S	S	.	*	H	α-helix	trans	-61.6	-46.5	175.2	-70.2	169.4	0	0	0	111	M1 V5 K6 S11 I12 L13	M1-I9 HydrophobicContact CE-CD1 4.46Å; M1-I9 HydrophobicContact SD-CD1 4.05Å; V5-I9 HydrophobicContact CG1-CD1 3.7Å; V5-I9 HydrophobicContact CG1-CG1 4.32Å; V5-I9 WeakPolarHBondContact O-CB 3.11Å; V5-I9 VanDerWaalsContact O-CG1 3.24Å; V5-I9 WeakPolarHBondContact O-CG1 3.12Å; V5-I9 PolarHBondContact O-N 3.1Å; K6-I9 PolarHBondContact O-N 2.96Å; I9-S11 VanDerWaalsContact C-N 3.34Å; I9-S11 PolarHBondContact O-N 3.03Å; I9-I12 PolarHBondContact O-N 3.32Å; I9-L13 HydrophobicContact CG2-CD1 3.72Å; I9-L13 HydrophobicContact CG2-CG 4.47Å; I9-L13 WeakPolarHBondContact O-CB 3.21Å; I9-L13 PolarHBondContact O-N 2.86Å
10	F	74.7	Confident	74	Confident	110 Å²	110	106.3 Å²	106.3	48%	0.482	55%	0.548	S	S	.	.	H	α-helix	trans	-62.8	-38.8	176.9	-95.4	-81.7	0	0	0	112.5	K6 K14	K6-F10 HydrophobicContact CD-CE2 4.48Å; K6-F10 HydrophobicContact CG-CD2 3.82Å; K6-F10 HydrophobicContact CG-CE2 3.93Å; K6-F10 WeakPolarHBondContact O-CB 3.5Å; K6-F10 WeakPolarHBondContact O-CD2 3.24Å; K6-F10 PolarHBondContact O-N 2.93Å; F10-K14 WeakPolarHBondContact O-CB 3.32Å; F10-K14 VanDerWaalsContact O-CG 3.29Å; F10-K14 WeakPolarHBondContact O-CG 3.43Å; F10-K14 PolarHBondContact O-N 3.23Å
11	S	69.6	Low	74	Confident	63 Å²	63	103.4 Å²	103.4	44%	0.441	53%	0.533	S	S	.	.	H	α-helix	trans	-65.8	-43.7	175.1	-172.1	0	0	0	0	111.6	N7 K8 I9 K14 I15	N7-S11 WeakPolarHBondContact O-CB 3.28Å; N7-S11 PolarHBondContact O-N 3.45Å; K8-S11 PolarHBondContact O-N 2.85Å; I9-S11 VanDerWaalsContact C-N 3.34Å; I9-S11 PolarHBondContact O-N 3.03Å; S11-K14 PolarHBondContact O-N 3.14Å; S11-I15 VanDerWaalsContact O-CG1 3.3Å; S11-I15 WeakPolarHBondContact O-CG1 3.43Å; S11-I15 PolarHBondContact O-N 3.37Å
12	I	80.1	Confident	74.9	Confident	96 Å²	96	100.1 Å²	100.1	49%	0.492	51%	0.514	S	S	.	.	H	α-helix	trans	-62.3	-49.9	176.9	-68.7	163.9	0	0	0	109.6	K8 I9 K14 I15 T16	K8-I12 HydrophobicContact CG-CD1 4.28Å; K8-I12 WeakPolarHBondContact O-CB 3.25Å; K8-I12 WeakPolarHBondContact O-CD1 3.47Å; K8-I12 VanDerWaalsContact O-CG1 3.22Å; K8-I12 WeakPolarHBondContact O-CG1 3.33Å; K8-I12 PolarHBondContact O-N 3.28Å; I9-I12 PolarHBondContact O-N 3.32Å; I12-K14 VanDerWaalsContact C-N 3.32Å; I12-K14 PolarHBondContact O-N 3.45Å; I12-I15 PolarHBondContact O-N 3.26Å; I12-I15 VanDerWaalsContact O-N 3.14Å; I12-T16 WeakPolarHBondContact O-CB 3.32Å; I12-T16 PolarHBondContact O-N 3.35Å; I12-T16 PolarHBondContact O-OG1 2.99Å
13	L	78.1	Confident	75.2	Confident	103 Å²	103	98.7 Å²	98.7	54%	0.539	51%	0.506	S	S	.	.	H	α-helix	trans	-56.5	-42.2	177.5	-83.1	161.2	0	0	0	112.7	I9 T16 F17	I9-L13 HydrophobicContact CG2-CD1 3.72Å; I9-L13 HydrophobicContact CG2-CG 4.47Å; I9-L13 WeakPolarHBondContact O-CB 3.21Å; I9-L13 PolarHBondContact O-N 2.86Å; L13-T16 PolarHBondContact O-N 3.2Å; L13-F17 VanDerWaalsContact O-CB 3.24Å; L13-F17 WeakPolarHBondContact O-CB 3.47Å; L13-F17 PolarHBondContact O-N 3.37Å
14	K	70.8	Confident	75.5	Confident	149 Å²	149	97.6 Å²	97.6	65%	0.648	50%	0.499	S	S	*	.	H	α-helix	trans	-62.6	-45.4	176.1	-77.4	177.4	-179.8	-174.8	0	112.1	F10 S11 I12 A18	F10-K14 WeakPolarHBondContact O-CB 3.32Å; F10-K14 VanDerWaalsContact O-CG 3.29Å; F10-K14 WeakPolarHBondContact O-CG 3.43Å; F10-K14 PolarHBondContact O-N 3.23Å; S11-K14 PolarHBondContact O-N 3.14Å; I12-K14 VanDerWaalsContact C-N 3.32Å; I12-K14 PolarHBondContact O-N 3.45Å; K14-A18 WeakPolarHBondContact O-CB 3.47Å; K14-A18 PolarHBondContact O-N 3.22Å
15	I	73.8	Confident	75.4	Confident	104 Å²	104	91 Å²	91	53%	0.533	47%	0.469	S	S	.	.	H	α-helix	trans	-65.3	-45.2	178.1	-66.3	166.5	0	0	0	109.9	S11 I12 A18 T19	S11-I15 VanDerWaalsContact O-CG1 3.3Å; S11-I15 WeakPolarHBondContact O-CG1 3.43Å; S11-I15 PolarHBondContact O-N 3.37Å; I12-I15 PolarHBondContact O-N 3.26Å; I12-I15 VanDerWaalsContact O-N 3.14Å; I15-A18 PolarHBondContact O-N 2.83Å; I15-T19 VanDerWaalsContact O-CB 3.3Å; I15-T19 WeakPolarHBondContact O-CB 3.19Å; I15-T19 PolarHBondContact O-N 3.42Å; I15-T19 PolarHBondContact O-OG1 3Å
16	T	79.4	Confident	75.2	Confident	80 Å²	80	89.6 Å²	89.6	49%	0.491	47%	0.465	S	S	.	.	H	α-helix	trans	-62.7	-44.5	178.6	-52.6	0	0	0	0	111.5	I12 L13 T19 A20	I12-T16 WeakPolarHBondContact O-CB 3.32Å; I12-T16 PolarHBondContact O-N 3.35Å; I12-T16 PolarHBondContact O-OG1 2.99Å; L13-T16 PolarHBondContact O-N 3.2Å; T16-T19 PolarHBondContact O-N 3.17Å; T16-A20 VanDerWaalsContact O-CB 3.29Å; T16-A20 WeakPolarHBondContact O-CB 3.44Å; T16-A20 PolarHBondContact O-N 3.3Å
17	F	75.9	Confident	75.4	Confident	142 Å²	142	88.3 Å²	88.3	62%	0.623	46%	0.462	S	S	*	.	H	α-helix	trans	-62.1	-48.8	176.8	178.3	-99.3	0	0	0	111.8	L13 T19 A20 L21	L13-F17 VanDerWaalsContact O-CB 3.24Å; L13-F17 WeakPolarHBondContact O-CB 3.47Å; L13-F17 PolarHBondContact O-N 3.37Å; F17-T19 VanDerWaalsContact C-N 3.31Å; F17-T19 PolarHBondContact O-N 3.15Å; F17-A20 PolarHBondContact O-N 3.19Å; F17-L21 HydrophobicContact CE1-CD2 4.43Å; F17-L21 WeakPolarHBondContact O-CB 3.43Å; F17-L21 PolarHBondContact O-N 3.32Å
18	A	66.6	Low	75.5	Confident	52 Å²	52	84.9 Å²	84.9	43%	0.43	45%	0.445	S	S	.	.	H	α-helix	trans	-61.7	-39.6	177.2	0	0	0	0	0	112	K14 I15 F22	K14-A18 WeakPolarHBondContact O-CB 3.47Å; K14-A18 PolarHBondContact O-N 3.22Å; I15-A18 PolarHBondContact O-N 2.83Å; A18-F22 WeakPolarHBondContact O-CB 3.32Å; A18-F22 PolarHBondContact O-N 3.01Å
19	T	75.2	Confident	75.4	Confident	69 Å²	69	78.8 Å²	78.8	42%	0.423	42%	0.419	S	S	.	.	H	α-helix	trans	-67.6	-44.6	177.4	-53	0	0	0	0	111.4	I15 T16 F17 F22 I23	I15-T19 VanDerWaalsContact O-CB 3.3Å; I15-T19 WeakPolarHBondContact O-CB 3.19Å; I15-T19 PolarHBondContact O-N 3.42Å; I15-T19 PolarHBondContact O-OG1 3Å; T16-T19 PolarHBondContact O-N 3.17Å; F17-T19 VanDerWaalsContact C-N 3.31Å; F17-T19 PolarHBondContact O-N 3.15Å; T19-F22 PolarHBondContact O-N 3.34Å; T19-I23 HydrophobicContact CG2-CD1 4Å; T19-I23 VanDerWaalsContact O-CG1 3.27Å; T19-I23 WeakPolarHBondContact O-CG1 3.33Å; T19-I23 PolarHBondContact O-N 3.45Å
20	A	81.3	Confident	75.3	Confident	56 Å²	56	83.4 Å²	83.4	46%	0.463	43%	0.433	S	S	.	.	H	α-helix	trans	-63.3	-42	177.5	0	0	0	0	0	111.8	T16 F17 I23 F24	T16-A20 VanDerWaalsContact O-CB 3.29Å; T16-A20 WeakPolarHBondContact O-CB 3.44Å; T16-A20 PolarHBondContact O-N 3.3Å; F17-A20 PolarHBondContact O-N 3.19Å; A20-I23 PolarHBondContact O-N 3.1Å; A20-F24 WeakPolarHBondContact O-CB 3.22Å; A20-F24 PolarHBondContact O-N 2.83Å
21	L	73.8	Confident	75.6	Confident	46 Å²	46	86.5 Å²	86.5	24%	0.241	44%	0.442	C	S	.	.	H	α-helix	trans	-64.6	-43.6	175.6	-174.3	66.7	0	0	0	111.6	F17 I23 F24 V25 S244	F17-L21 HydrophobicContact CE1-CD2 4.43Å; F17-L21 WeakPolarHBondContact O-CB 3.43Å; F17-L21 PolarHBondContact O-N 3.32Å; L21-I23 PolarHBondContact O-N 2.83Å; L21-F24 PolarHBondContact O-N 2.98Å; L21-V25 WeakPolarHBondContact O-CB 3.23Å; L21-V25 WeakPolarHBondContact O-CG2 3.4Å; L21-V25 PolarHBondContact O-N 3.4Å; L21-S244 WeakPolarHBondContact CD2-O 3.27Å
22	F	73.2	Confident	75.9	Confident	102 Å²	102	86.1 Å²	86.1	45%	0.447	43%	0.433	S	S	.	.	H	α-helix	trans	-60.5	-44.6	174.6	180	-97.4	0	0	0	111.8	A18 T19 V25 A26 I246	A18-F22 WeakPolarHBondContact O-CB 3.32Å; A18-F22 PolarHBondContact O-N 3.01Å; T19-F22 PolarHBondContact O-N 3.34Å; F22-V25 PolarHBondContact O-N 3.2Å; F22-A26 VanDerWaalsContact O-CB 3.24Å; F22-A26 WeakPolarHBondContact O-CB 3.44Å; F22-A26 PolarHBondContact O-N 2.88Å; F22-I246 HydrophobicContact CD2-CD1 4.35Å; F22-I246 HydrophobicContact CD2-CG2 4.1Å; F22-I246 HydrophobicContact CE2-CG2 4.45Å
23	I	80.9	Confident	75.7	Confident	88 Å²	88	84.4 Å²	84.4	45%	0.451	42%	0.424	S	S	.	.	H	α-helix	trans	-60.7	-45.8	175.4	-69.8	167.1	0	0	0	110.6	T19 A20 L21 V25 A26 I27	T19-I23 HydrophobicContact CG2-CD1 4Å; T19-I23 VanDerWaalsContact O-CG1 3.27Å; T19-I23 WeakPolarHBondContact O-CG1 3.33Å; T19-I23 PolarHBondContact O-N 3.45Å; A20-I23 PolarHBondContact O-N 3.1Å; L21-I23 PolarHBondContact O-N 2.83Å; I23-V25 PolarHBondContact O-N 3.48Å; I23-A26 PolarHBondContact O-N 3.25Å; I23-I27 HydrophobicContact CG2-CD1 3.54Å; I23-I27 HydrophobicContact CG2-CG1 4.23Å; I23-I27 WeakPolarHBondContact O-CB 3.13Å; I23-I27 WeakPolarHBondContact O-CG1 3.36Å; I23-I27 PolarHBondContact O-N 3.37Å
24	F	79.7	Confident	75.6	Confident	132 Å²	132	83.3 Å²	83.3	58%	0.579	43%	0.426	S	S	*	.	H	α-helix	trans	-59.8	-46.7	177.8	174.9	-97.2	0	0	0	112.1	A20 L21 I27 T28	A20-F24 WeakPolarHBondContact O-CB 3.22Å; A20-F24 PolarHBondContact O-N 2.83Å; L21-F24 PolarHBondContact O-N 2.98Å; F24-I27 PolarHBondContact O-N 3.13Å; F24-T28 WeakPolarHBondContact O-CB 3.32Å; F24-T28 PolarHBondContact O-N 3.31Å; F24-T28 PolarHBondContact O-OG1 2.9Å
25	V	70.4	Confident	75.6	Confident	14 Å²	14	79.3 Å²	79.3	9%	0.085	43%	0.427	C	S	.	.	H	α-helix	trans	-64.3	-44	177.4	170.1	0	0	0	0	110.7	L21 F22 I23 T28 L29 I246 G251	L21-V25 WeakPolarHBondContact O-CB 3.23Å; L21-V25 WeakPolarHBondContact O-CG2 3.4Å; L21-V25 PolarHBondContact O-N 3.4Å; F22-V25 PolarHBondContact O-N 3.2Å; I23-V25 PolarHBondContact O-N 3.48Å; V25-T28 PolarHBondContact O-N 3.41Å; V25-L29 VanDerWaalsContact O-CB 3.25Å; V25-L29 WeakPolarHBondContact O-CB 3.49Å; V25-L29 PolarHBondContact O-N 2.98Å; V25-I246 HydrophobicContact CB-CD1 3.91Å; V25-I246 HydrophobicContact CG1-CD1 3.99Å; V25-I246 HydrophobicContact CG2-CD1 3.79Å; V25-G251 VanDerWaalsContact CG1-C 3.43Å
26	A	73.1	Confident	75.7	Confident	41 Å²	41	75.1 Å²	75.1	34%	0.339	41%	0.405	S	S	.	.	H	α-helix	trans	-64.6	-41	178.4	0	0	0	0	0	112.5	F22 I23 Y30	F22-A26 VanDerWaalsContact O-CB 3.24Å; F22-A26 WeakPolarHBondContact O-CB 3.44Å; F22-A26 PolarHBondContact O-N 2.88Å; I23-A26 PolarHBondContact O-N 3.25Å; A26-Y30 VanDerWaalsContact O-CB 3.25Å; A26-Y30 WeakPolarHBondContact O-CB 3.34Å; A26-Y30 PolarHBondContact O-N 3.49Å
27	I	80	Confident	75.6	Confident	82 Å²	82	75 Å²	75	42%	0.421	40%	0.402	S	S	.	.	H	α-helix	trans	-64.9	-44.7	175.1	-70.1	168.4	0	0	0	110.5	I23 F24 Y30 R31	I23-I27 HydrophobicContact CG2-CD1 3.54Å; I23-I27 HydrophobicContact CG2-CG1 4.23Å; I23-I27 WeakPolarHBondContact O-CB 3.13Å; I23-I27 WeakPolarHBondContact O-CG1 3.36Å; I23-I27 PolarHBondContact O-N 3.37Å; F24-I27 PolarHBondContact O-N 3.13Å; I27-Y30 PolarHBondContact O-N 3.44Å; I27-R31 WeakPolarHBondContact O-CG 3.34Å; I27-R31 PolarHBondContact O-N 3.31Å
28	T	75.9	Confident	75.4	Confident	32 Å²	32	74.4 Å²	74.4	20%	0.196	40%	0.399	C	S	.	.	H	α-helix	trans	-64.1	-45	179.4	-53.5	0	0	0	0	110.7	F24 V25 R31 E32 L255	F24-T28 WeakPolarHBondContact O-CB 3.32Å; F24-T28 PolarHBondContact O-N 3.31Å; F24-T28 PolarHBondContact O-OG1 2.9Å; V25-T28 PolarHBondContact O-N 3.41Å; T28-R31 PolarHBondContact O-N 2.96Å; T28-E32 PolarHBondContact O-N 2.86Å; T28-L255 HydrophobicContact CG2-CD1 4.01Å; T28-L255 HydrophobicContact CG2-CD2 3.66Å
29	L	72.6	Confident	75.9	Confident	22 Å²	22	78.7 Å²	78.7	12%	0.115	41%	0.408	C	S	.	.	H	α-helix	trans	-61.3	-45.5	175	-172.6	71.8	0	0	0	111.2	V25 R31 E32 L33 F250 D254	V25-L29 VanDerWaalsContact O-CB 3.25Å; V25-L29 WeakPolarHBondContact O-CB 3.49Å; V25-L29 PolarHBondContact O-N 2.98Å; L29-R31 VanDerWaalsContact C-N 3.32Å; L29-R31 PolarHBondContact O-N 3.34Å; L29-E32 PolarHBondContact O-N 3.06Å; L29-L33 HydrophobicContact CD1-CD1 4.33Å; L29-L33 HydrophobicContact CD1-CG 4.38Å; L29-L33 HydrophobicContact CD2-CD1 4.23Å; L29-L33 HydrophobicContact CG-CD1 3.79Å; L29-L33 HydrophobicContact CG-CG 4.2Å; L29-L33 VanDerWaalsContact O-CB 3.31Å; L29-L33 WeakPolarHBondContact O-CB 3.39Å; L29-L33 WeakPolarHBondContact O-CG 3.36Å; L29-L33 PolarHBondContact O-N 2.79Å; L29-F250 HydrophobicContact CD2-CE1 4.34Å; L29-D254 HydrophobicContact CD1-CB 4.33Å
30	Y	77	Confident	76.1	Confident	168 Å²	168	78.7 Å²	78.7	66%	0.659	41%	0.405	S	S	*	.	H	α-helix	trans	-59.4	-42.2	176.4	175.8	-96.5	0	0	0	112	A26 I27 L33 S34	A26-Y30 VanDerWaalsContact O-CB 3.25Å; A26-Y30 WeakPolarHBondContact O-CB 3.34Å; A26-Y30 PolarHBondContact O-N 3.49Å; I27-Y30 PolarHBondContact O-N 3.44Å; Y30-L33 PolarHBondContact O-N 3.18Å; Y30-S34 VanDerWaalsContact O-CB 3.25Å; Y30-S34 WeakPolarHBondContact O-CB 3.19Å; Y30-S34 PolarHBondContact O-N 2.95Å; Y30-S34 PolarHBondContact O-OG 3.03Å
31	R	81.3	Confident	75.9	Confident	176 Å²	176	76.2 Å²	76.2	66%	0.664	39%	0.385	S	S	*	.	H	α-helix	trans	-61.7	-47.9	176.9	-76.9	178.2	-179.6	-177.3	-0.2	111.9	I27 T28 L29 S34	I27-R31 WeakPolarHBondContact O-CG 3.34Å; I27-R31 PolarHBondContact O-N 3.31Å; T28-R31 PolarHBondContact O-N 2.96Å; L29-R31 VanDerWaalsContact C-N 3.32Å; L29-R31 PolarHBondContact O-N 3.34Å; R31-S34 PolarHBondContact O-N 3.25Å; R31-S34 PolarHBondContact O-OG 2.86Å
32	E	74.6	Confident	76	Confident	54 Å²	54	78.6 Å²	78.6	25%	0.252	40%	0.397	S	S	.	.	H	α-helix	trans	-64.7	-45.2	177.2	-65.8	-63.8	153.9	0	0	111.3	T28 L29 S34 G35 L255 K262	T28-E32 PolarHBondContact O-N 2.86Å; L29-E32 PolarHBondContact O-N 3.06Å; E32-S34 VanDerWaalsContact C-N 3.27Å; E32-S34 PolarHBondContact O-N 3.25Å; E32-G35 PolarHBondContact O-N 3.41Å; E32-L255 HydrophobicContact CG-CD1 3.84Å; E32-K262 IonicContact OE2-NZ 2.71Å
33	L	75.4	Confident	76.4	Confident	60 Å²	60	76.8 Å²	76.8	31%	0.314	39%	0.394	S	S	.	.	H	α-helix	trans	-64.6	-30.4	178.3	-69.3	177.5	0	0	0	113	L29 Y30 G35 I36 L272	L29-L33 HydrophobicContact CD1-CD1 4.33Å; L29-L33 HydrophobicContact CD1-CG 4.38Å; L29-L33 HydrophobicContact CD2-CD1 4.23Å; L29-L33 HydrophobicContact CG-CD1 3.79Å; L29-L33 HydrophobicContact CG-CG 4.2Å; L29-L33 VanDerWaalsContact O-CB 3.31Å; L29-L33 WeakPolarHBondContact O-CB 3.39Å; L29-L33 WeakPolarHBondContact O-CG 3.36Å; L29-L33 PolarHBondContact O-N 2.79Å; Y30-L33 PolarHBondContact O-N 3.18Å; L33-G35 PolarHBondContact O-N 3.17Å; L33-I36 HydrophobicContact CD2-CD1 4.06Å; L33-I36 PolarHBondContact O-N 3.02Å; L33-I36 VanDerWaalsContact O-N 3.09Å; L33-L272 HydrophobicContact CD2-CD1 3.41Å; L33-L272 VanDerWaalsContact CD2-CD1 3.41Å; L33-L272 HydrophobicContact CD2-CD2 3.96Å; L33-L272 HydrophobicContact CD2-CG 4.29Å
34	S	76.6	Confident	76.4	Confident	81 Å²	81	74.9 Å²	74.9	57%	0.566	38%	0.383	S	S	*	.	H	α-helix	trans	-66.2	-19.8	179.4	70.2	0	0	0	0	113.6	Y30 R31 E32	Y30-S34 VanDerWaalsContact O-CB 3.25Å; Y30-S34 WeakPolarHBondContact O-CB 3.19Å; Y30-S34 PolarHBondContact O-N 2.95Å; Y30-S34 PolarHBondContact O-OG 3.03Å; R31-S34 PolarHBondContact O-N 3.25Å; R31-S34 PolarHBondContact O-OG 2.86Å; E32-S34 VanDerWaalsContact C-N 3.27Å; E32-S34 PolarHBondContact O-N 3.25Å
35	G	71.7	Confident	76.6	Confident	65 Å²	65	73 Å²	73	67%	0.67	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-14.3	173.2	0	0	0	0	0	114.2	E32 L33	E32-G35 PolarHBondContact O-N 3.41Å; L33-G35 PolarHBondContact O-N 3.17Å
36	I	75.1	Confident	77.1	Confident	16 Å²	16	76.8 Å²	76.8	8%	0.082	40%	0.402	C	S	.	.	S	Bend	trans	-90.2	127.1	-172.8	-57.2	178.5	0	0	0	109.9	L33 F38 L258 E268 E269 L272	L33-I36 HydrophobicContact CD2-CD1 4.06Å; L33-I36 PolarHBondContact O-N 3.02Å; L33-I36 VanDerWaalsContact O-N 3.09Å; I36-F38 PolarHBondContact O-N 3.35Å; I36-F38 VanDerWaalsContact O-N 3.09Å; I36-L258 HydrophobicContact CD1-CD1 4.27Å; I36-E268 HydrophobicContact CD1-CB 4.13Å; I36-E268 HydrophobicContact CG1-CB 4.16Å; I36-E269 HydrophobicContact CG2-CB 4.43Å; I36-E269 HydrophobicContact CG2-CG 4.01Å; I36-L272 HydrophobicContact CD1-CB 4.14Å; I36-L272 HydrophobicContact CD1-CD2 3.94Å; I36-L272 HydrophobicContact CG2-CD2 3.94Å
37	N	77	Confident	77.8	Confident	78 Å²	78	81.4 Å²	81.4	42%	0.417	42%	0.415	S	S	.	.			trans	-74.7	101.6	173.3	-174.7	0.2	0	0	0	110.3	K39 D40 T41	N37-K39 PolarHBondContact O-N 2.98Å; N37-K39 VanDerWaalsContact O-N 3.1Å; N37-K39 VanDerWaalsContact OD1-CB 3.27Å; N37-K39 WeakPolarHBondContact OD1-CB 3.15Å; N37-K39 PolarHBondContact OD1-N 3.32Å; N37-D40 HydrophobicContact CB-CB 4.42Å; N37-D40 VanDerWaalsContact CB-OD2 3.31Å; N37-D40 WeakPolarHBondContact CB-OD2 3.4Å; N37-D40 PolarHBondContact ND2-OD2 2.84Å; N37-D40 PolarHBondContact O-N 3.1Å; N37-T41 PolarHBondContact O-N 3.44Å
38	F	72.8	Confident	78.1	Confident	128 Å²	128	78.4 Å²	78.4	56%	0.561	40%	0.399	S	S	*	.	H	α-helix	trans	-58	-27.5	-178.6	-164	-99.9	0	0	0	113.3	I36 D40 T41 L42	I36-F38 PolarHBondContact O-N 3.35Å; I36-F38 VanDerWaalsContact O-N 3.09Å; F38-D40 VanDerWaalsContact C-N 3.31Å; F38-D40 PolarHBondContact O-N 3.02Å; F38-T41 PolarHBondContact O-N 2.66Å; F38-L42 HydrophobicContact CD1-CD1 3.82Å; F38-L42 HydrophobicContact CD1-CG 4.07Å; F38-L42 HydrophobicContact CE1-CD1 3.75Å; F38-L42 HydrophobicContact CE1-CD2 4.11Å; F38-L42 HydrophobicContact CE1-CG 3.86Å; F38-L42 PolarHBondContact O-N 2.71Å; F38-L42 VanDerWaalsContact O-N 3.11Å
39	K	76	Confident	78.7	Confident	143 Å²	143	81.4 Å²	81.4	62%	0.622	41%	0.414	S	S	*	.	H	α-helix	trans	-60.1	-42.9	174.7	-172.8	177.1	179	174.8	0	111.1	N37 L42 V43	N37-K39 PolarHBondContact O-N 2.98Å; N37-K39 VanDerWaalsContact O-N 3.1Å; N37-K39 VanDerWaalsContact OD1-CB 3.27Å; N37-K39 WeakPolarHBondContact OD1-CB 3.15Å; N37-K39 PolarHBondContact OD1-N 3.32Å; K39-L42 PolarHBondContact O-N 2.84Å; K39-V43 WeakPolarHBondContact O-CG2 3.33Å; K39-V43 PolarHBondContact O-N 3.08Å
40	D	79.3	Confident	79.3	Confident	68 Å²	68	89.6 Å²	89.6	36%	0.364	44%	0.443	S	S	.	.	H	α-helix	trans	-70.7	-36.6	-177.6	-61.3	-26	0	0	0	110.7	N37 F38 L42 V43 E44 E269	N37-D40 HydrophobicContact CB-CB 4.42Å; N37-D40 VanDerWaalsContact CB-OD2 3.31Å; N37-D40 WeakPolarHBondContact CB-OD2 3.4Å; N37-D40 PolarHBondContact ND2-OD2 2.84Å; N37-D40 PolarHBondContact O-N 3.1Å; F38-D40 VanDerWaalsContact C-N 3.31Å; F38-D40 PolarHBondContact O-N 3.02Å; D40-L42 VanDerWaalsContact C-N 3.34Å; D40-L42 PolarHBondContact O-N 2.9Å; D40-V43 PolarHBondContact O-N 3.01Å; D40-E44 WeakPolarHBondContact O-CG 3.42Å; D40-E44 PolarHBondContact O-N 2.88Å; D40-E269 HydrophobicContact CB-CG 4.11Å
41	T	77.9	Confident	79.8	Confident	5 Å²	5	87.2 Å²	87.2	3%	0.031	44%	0.44	C	S	.	.	H	α-helix	trans	-61.1	-40.9	172.7	-50.9	0	0	0	0	112.1	N37 F38 E44 F45 L272 L273	N37-T41 PolarHBondContact O-N 3.44Å; F38-T41 PolarHBondContact O-N 2.66Å; T41-E44 PolarHBondContact O-N 2.86Å; T41-F45 PolarHBondContact O-N 2.95Å; T41-L272 HydrophobicContact CG2-CD2 4.45Å; T41-L273 HydrophobicContact CG2-CB 4.08Å; T41-L273 HydrophobicContact CG2-CD1 4.25Å
42	L	75.9	Confident	80.2	Confident	96 Å²	96	80.8 Å²	80.8	50%	0.503	42%	0.422	S	S	.	.	H	α-helix	trans	-67.4	-40.1	175.8	-72.7	173	0	0	0	112.2	F38 K39 D40 F45 S46	F38-L42 HydrophobicContact CD1-CD1 3.82Å; F38-L42 HydrophobicContact CD1-CG 4.07Å; F38-L42 HydrophobicContact CE1-CD1 3.75Å; F38-L42 HydrophobicContact CE1-CD2 4.11Å; F38-L42 HydrophobicContact CE1-CG 3.86Å; F38-L42 PolarHBondContact O-N 2.71Å; F38-L42 VanDerWaalsContact O-N 3.11Å; K39-L42 PolarHBondContact O-N 2.84Å; D40-L42 VanDerWaalsContact C-N 3.34Å; D40-L42 PolarHBondContact O-N 2.9Å; L42-F45 PolarHBondContact O-N 2.8Å; L42-S46 PolarHBondContact O-N 3.18Å
43	V	80.7	Confident	80.9	Confident	63 Å²	63	79.1 Å²	79.1	38%	0.382	42%	0.415	S	S	.	.	H	α-helix	trans	-61.4	-46	174.9	170.4	0	0	0	0	110.1	K39 D40 F45 S46 K47	K39-V43 WeakPolarHBondContact O-CG2 3.33Å; K39-V43 PolarHBondContact O-N 3.08Å; D40-V43 PolarHBondContact O-N 3.01Å; V43-F45 PolarHBondContact O-N 2.95Å; V43-S46 PolarHBondContact O-N 2.85Å; V43-S46 PolarHBondContact O-OG 2.87Å; V43-K47 PolarHBondContact O-N 3.28Å
44	E	81.8	Confident	81.5	Confident	48 Å²	48	78.8 Å²	78.8	22%	0.224	42%	0.415	C	S	.	.	H	α-helix	trans	-62	-41.9	175.6	-71.4	-55.1	122	0	0	112.2	D40 T41 S46 K47 L273	D40-E44 WeakPolarHBondContact O-CG 3.42Å; D40-E44 PolarHBondContact O-N 2.88Å; T41-E44 PolarHBondContact O-N 2.86Å; E44-S46 VanDerWaalsContact C-N 3.27Å; E44-S46 PolarHBondContact O-N 2.71Å; E44-K47 WeakPolarHBondContact O-CB 3.36Å; E44-K47 PolarHBondContact O-N 3Å; E44-K47 VanDerWaalsContact O-N 3.13Å; E44-K47 IonicContact OE1-NZ 2.7Å; E44-K47 PolarHBondContact OE1-NZ 3.41Å; E44-L273 HydrophobicContact CB-CD2 3.74Å
45	F	84.6	Confident	82.2	Confident	94 Å²	94	80.4 Å²	80.4	41%	0.412	42%	0.416	S	S	.	.	H	α-helix	trans	-59.8	-38.5	175.3	-179	-104.1	0	0	0	112.5	T41 L42 V43 K47 I48 L53 L273 L277	T41-F45 PolarHBondContact O-N 2.95Å; L42-F45 PolarHBondContact O-N 2.8Å; V43-F45 PolarHBondContact O-N 2.95Å; F45-K47 PolarHBondContact O-N 3.13Å; F45-I48 HydrophobicContact CD2-CD1 4.09Å; F45-I48 WeakPolarHBondContact O-CB 3.38Å; F45-I48 PolarHBondContact O-N 3.26Å; F45-L53 HydrophobicContact CE2-CD1 4.17Å; F45-L53 HydrophobicContact CZ-CD1 4.34Å; F45-L273 HydrophobicContact CB-CD1 3.96Å; F45-L273 HydrophobicContact CB-CD2 4.22Å; F45-L273 HydrophobicContact CD2-CD1 3.92Å; F45-L273 HydrophobicContact CG-CD1 4.37Å; F45-L277 HydrophobicContact CD2-CD2 4.48Å; F45-L277 HydrophobicContact CE2-CD2 4.11Å
46	S	80.9	Confident	83.2	Confident	93 Å²	93	77.7 Å²	77.7	65%	0.65	39%	0.387	S	S	*	.	H	α-helix	trans	-65	-23.7	179	78.6	0	0	0	0	113.8	L42 V43 E44 I48	L42-S46 PolarHBondContact O-N 3.18Å; V43-S46 PolarHBondContact O-N 2.85Å; V43-S46 PolarHBondContact O-OG 2.87Å; E44-S46 VanDerWaalsContact C-N 3.27Å; E44-S46 PolarHBondContact O-N 2.71Å; S46-I48 VanDerWaalsContact C-N 3.35Å
47	K	86.1	Confident	83.9	Confident	138 Å²	138	79.5 Å²	79.5	60%	0.6	39%	0.394	S	S	*	.	H	α-helix	trans	-80.6	-15.3	178.2	-64.5	172.6	-174.4	170.6	0	113.1	V43 E44 F45 N49	V43-K47 PolarHBondContact O-N 3.28Å; E44-K47 WeakPolarHBondContact O-CB 3.36Å; E44-K47 PolarHBondContact O-N 3Å; E44-K47 VanDerWaalsContact O-N 3.13Å; E44-K47 IonicContact OE1-NZ 2.7Å; E44-K47 PolarHBondContact OE1-NZ 3.41Å; F45-K47 PolarHBondContact O-N 3.13Å; K47-N49 PolarHBondContact O-N 2.92Å
48	I	87.6	Confident	84.5	Confident	18 Å²	18	80.7 Å²	80.7	9%	0.092	40%	0.399	C	S	.	.	S	Bend	trans	-70	132.7	-174.8	-64.8	173.9	0	0	0	110.9	F45 S46 R50 L53 I220 V221 L273 L277	F45-I48 HydrophobicContact CD2-CD1 4.09Å; F45-I48 WeakPolarHBondContact O-CB 3.38Å; F45-I48 PolarHBondContact O-N 3.26Å; S46-I48 VanDerWaalsContact C-N 3.35Å; I48-R50 PolarHBondContact O-N 3.45Å; I48-L53 HydrophobicContact CB-CD1 4.47Å; I48-L53 HydrophobicContact CG2-CD1 3.91Å; I48-L53 HydrophobicContact CG2-CD2 3.87Å; I48-L53 HydrophobicContact CG2-CG 3.58Å; I48-I220 HydrophobicContact CB-CG2 4.39Å; I48-I220 HydrophobicContact CD1-CG2 3.9Å; I48-I220 HydrophobicContact CG1-CG2 4.06Å; I48-I220 HydrophobicContact CG2-CG2 3.45Å; I48-I220 VanDerWaalsContact CG2-CG2 3.45Å; I48-V221 HydrophobicContact CD1-CG1 4.41Å; I48-L273 HydrophobicContact CD1-CD2 3.9Å; I48-L273 HydrophobicContact CD1-CG 4.38Å; I48-L277 HydrophobicContact CD1-CD1 3.86Å
49	N	88.4	Confident	85.3	Confident	96 Å²	96	76.1 Å²	76.1	51%	0.513	39%	0.388	S	S	.	.			trans	-62	123.8	171.6	-177.6	-1.9	0	0	0	111.2	K47 M51 S52 L53	K47-N49 PolarHBondContact O-N 2.92Å; N49-M51 PolarHBondContact O-N 2.91Å; N49-M51 PolarHBondContact OD1-N 3.15Å; N49-S52 WeakPolarHBondContact O-CB 3.11Å; N49-S52 PolarHBondContact O-N 2.97Å; N49-L53 PolarHBondContact O-N 3.12Å
50	R	85.6	Confident	85.9	Confident	193 Å²	193	69.3 Å²	69.3	73%	0.728	36%	0.359	S	S	*	.	H	α-helix	trans	-57.8	-35.1	179.9	-59.4	-178	-171.4	-158.1	1.8	112.7	I48 S52 L53 V54	I48-R50 PolarHBondContact O-N 3.45Å; R50-S52 VanDerWaalsContact C-N 3.35Å; R50-L53 PolarHBondContact O-N 3Å; R50-V54 WeakPolarHBondContact O-CG2 3.44Å; R50-V54 PolarHBondContact O-N 3.33Å; R50-V54 VanDerWaalsContact O-N 3.07Å
51	M	87.3	Confident	86.3	Confident	118 Å²	118	66.3 Å²	66.3	58%	0.581	34%	0.344	S	S	*	.	H	α-helix	trans	-66.8	-37.3	177.5	-70.7	-55.3	-61.3	0	0	112.2	N49 L53 V54 L55	N49-M51 PolarHBondContact O-N 2.91Å; N49-M51 PolarHBondContact OD1-N 3.15Å; M51-L53 VanDerWaalsContact C-N 3.32Å; M51-L53 PolarHBondContact O-N 2.72Å; M51-V54 PolarHBondContact O-N 2.57Å; M51-L55 WeakPolarHBondContact O-CG 3.47Å; M51-L55 PolarHBondContact O-N 2.96Å
52	S	89.8	Confident	86.8	Confident	41 Å²	41	68.6 Å²	68.6	29%	0.287	36%	0.363	S	S	.	.	H	α-helix	trans	-64.6	-38.1	175.8	-52.7	0	0	0	0	111.4	N49 R50 L55 L56	N49-S52 WeakPolarHBondContact O-CB 3.11Å; N49-S52 PolarHBondContact O-N 2.97Å; R50-S52 VanDerWaalsContact C-N 3.35Å; S52-L55 PolarHBondContact O-N 3.48Å; S52-L56 VanDerWaalsContact O-CB 3.31Å; S52-L56 WeakPolarHBondContact O-CB 3.09Å; S52-L56 PolarHBondContact O-N 3.46Å
53	L	88.4	Confident	87.4	Confident	20 Å²	20	64.4 Å²	64.4	11%	0.105	34%	0.342	C	S	.	.	H	α-helix	trans	-64.1	-44	173.6	-69.4	172.4	0	0	0	112.2	F45 I48 N49 R50 M51 L55 L56 F57 L277	F45-L53 HydrophobicContact CE2-CD1 4.17Å; F45-L53 HydrophobicContact CZ-CD1 4.34Å; I48-L53 HydrophobicContact CB-CD1 4.47Å; I48-L53 HydrophobicContact CG2-CD1 3.91Å; I48-L53 HydrophobicContact CG2-CD2 3.87Å; I48-L53 HydrophobicContact CG2-CG 3.58Å; N49-L53 PolarHBondContact O-N 3.12Å; R50-L53 PolarHBondContact O-N 3Å; M51-L53 VanDerWaalsContact C-N 3.32Å; M51-L53 PolarHBondContact O-N 2.72Å; L53-L55 PolarHBondContact O-N 3.04Å; L53-L56 WeakPolarHBondContact O-CB 3.26Å; L53-L56 PolarHBondContact O-N 3.3Å; L53-F57 HydrophobicContact CB-CE2 4.36Å; L53-F57 HydrophobicContact CB-CZ 4.43Å; L53-F57 HydrophobicContact CD2-CZ 4.35Å; L53-F57 WeakPolarHBondContact O-CD2 3.2Å; L53-F57 WeakPolarHBondContact O-CG 3.33Å; L53-F57 PolarHBondContact O-N 2.96Å; L53-L277 HydrophobicContact CD2-CD1 4.34Å; L53-L277 HydrophobicContact CD2-CD2 3.5Å; L53-L277 VanDerWaalsContact CD2-CD2 3.5Å
54	V	87.8	Confident	87.7	Confident	52 Å²	52	61.6 Å²	61.6	32%	0.315	33%	0.325	S	S	.	.	H	α-helix	trans	-60.6	-46.5	176.9	172.1	0	0	0	0	110.7	R50 M51 L56 F57 I58 I420	R50-V54 WeakPolarHBondContact O-CG2 3.44Å; R50-V54 PolarHBondContact O-N 3.33Å; R50-V54 VanDerWaalsContact O-N 3.07Å; M51-V54 PolarHBondContact O-N 2.57Å; V54-L56 VanDerWaalsContact C-N 3.35Å; V54-L56 PolarHBondContact O-N 3.49Å; V54-F57 PolarHBondContact O-N 3.37Å; V54-I58 HydrophobicContact CG1-CD1 3.81Å; V54-I58 HydrophobicContact CG1-CG1 4.5Å; V54-I58 VanDerWaalsContact O-CG1 3.3Å; V54-I58 WeakPolarHBondContact O-CG1 3.18Å; V54-I58 PolarHBondContact O-N 3.31Å; V54-I420 HydrophobicContact CG2-CD1 4.49Å
55	L	91	Very high	88.1	Confident	115 Å²	115	62.5 Å²	62.5	60%	0.602	33%	0.333	S	S	*	.	H	α-helix	trans	-62.7	-40.5	176.8	-71.8	171	0	0	0	112	M51 S52 L53 I58 G59	M51-L55 WeakPolarHBondContact O-CG 3.47Å; M51-L55 PolarHBondContact O-N 2.96Å; S52-L55 PolarHBondContact O-N 3.48Å; L53-L55 PolarHBondContact O-N 3.04Å; L55-I58 PolarHBondContact O-N 2.79Å; L55-G59 PolarHBondContact O-N 3.21Å
56	L	92.4	Very high	88.4	Confident	9 Å²	9	60.2 Å²	60.2	5%	0.047	33%	0.325	C	S	.	.	H	α-helix	trans	-61.3	-45.7	175.6	178.9	69.1	0	0	0	111.6	S52 L53 V54 G59 G60 V213 F216 I220 L277 A281	S52-L56 VanDerWaalsContact O-CB 3.31Å; S52-L56 WeakPolarHBondContact O-CB 3.09Å; S52-L56 PolarHBondContact O-N 3.46Å; L53-L56 WeakPolarHBondContact O-CB 3.26Å; L53-L56 PolarHBondContact O-N 3.3Å; V54-L56 VanDerWaalsContact C-N 3.35Å; V54-L56 PolarHBondContact O-N 3.49Å; L56-G59 PolarHBondContact O-N 2.89Å; L56-G60 PolarHBondContact O-N 3.11Å; L56-V213 HydrophobicContact CD1-CG1 4.21Å; L56-F216 HydrophobicContact CD1-CB 4.04Å; L56-I220 HydrophobicContact CB-CD1 3.83Å; L56-I220 HydrophobicContact CD1-CD1 4.31Å; L56-I220 HydrophobicContact CD2-CD1 3.97Å; L56-I220 HydrophobicContact CG-CD1 4.24Å; L56-L277 HydrophobicContact CD2-CB 3.99Å; L56-A281 HydrophobicContact CD1-CB 4.45Å; L56-A281 HydrophobicContact CD2-CB 4.29Å; L56-A281 HydrophobicContact CG-CB 3.91Å
57	F	90	Very high	88.8	Confident	53 Å²	53	56.2 Å²	56.2	23%	0.232	30%	0.296	C	S	.	.	H	α-helix	trans	-68.4	-38.1	-179.9	-62.9	-16.5	0	0	0	112.1	L53 V54 G59 G61 F280 A281 V285	L53-F57 HydrophobicContact CB-CE2 4.36Å; L53-F57 HydrophobicContact CB-CZ 4.43Å; L53-F57 HydrophobicContact CD2-CZ 4.35Å; L53-F57 WeakPolarHBondContact O-CD2 3.2Å; L53-F57 WeakPolarHBondContact O-CG 3.33Å; L53-F57 PolarHBondContact O-N 2.96Å; V54-F57 PolarHBondContact O-N 3.37Å; F57-G59 VanDerWaalsContact C-N 3.35Å; F57-G61 PolarHBondContact O-N 3.43Å; F57-F280 AromaticContact CD1-CD1 3.97Å; F57-F280 HydrophobicContact CD1-CD1 3.97Å; F57-F280 HydrophobicContact CD2-CE1 4.28Å; F57-F280 AromaticContact CE1-CD1 3.47Å; F57-F280 HydrophobicContact CE1-CD1 3.47Å; F57-F280 VanDerWaalsContact CE1-CD1 3.47Å; F57-F280 HydrophobicContact CE1-CE1 4.13Å; F57-F280 HydrophobicContact CE1-CG 4.4Å; F57-F280 HydrophobicContact CE2-CD1 4.05Å; F57-F280 AromaticContact CE2-CE1 3.86Å; F57-F280 HydrophobicContact CE2-CE1 3.86Å; F57-F280 HydrophobicContact CG-CD1 4.48Å; F57-F280 AromaticContact CZ-CD1 3.5Å; F57-F280 HydrophobicContact CZ-CD1 3.5Å; F57-F280 VanDerWaalsContact CZ-CD1 3.5Å; F57-F280 AromaticContact CZ-CE1 3.78Å; F57-F280 HydrophobicContact CZ-CE1 3.78Å; F57-F280 HydrophobicContact CZ-CG 4.5Å; F57-A281 HydrophobicContact CD1-CB 3.9Å; F57-A281 HydrophobicContact CE1-CB 4.42Å; F57-V285 HydrophobicContact CB-CG2 4.1Å; F57-V285 HydrophobicContact CD1-CG2 4.39Å; F57-V285 HydrophobicContact CG-CG2 4.16Å
58	I	90.1	Very high	89.1	Confident	104 Å²	104	49.7 Å²	49.7	53%	0.533	27%	0.268	S	S	.	.	H	α-helix	trans	-63.2	-44.1	171	-68.2	169	0	0	0	110	V54 L55 G61 A62	V54-I58 HydrophobicContact CG1-CD1 3.81Å; V54-I58 HydrophobicContact CG1-CG1 4.5Å; V54-I58 VanDerWaalsContact O-CG1 3.3Å; V54-I58 WeakPolarHBondContact O-CG1 3.18Å; V54-I58 PolarHBondContact O-N 3.31Å; L55-I58 PolarHBondContact O-N 2.79Å; I58-G61 PolarHBondContact O-N 2.96Å; I58-A62 WeakPolarHBondContact O-CB 3.4Å; I58-A62 PolarHBondContact O-N 2.69Å
59	G	90.6	Very high	89.3	Confident	32 Å²	32	52.4 Å²	52.4	33%	0.33	28%	0.281	S	S	.	.	H	α-helix	trans	-61.2	-47	178.5	0	0	0	0	0	113	L55 L56 F57 A62 S63	L55-G59 PolarHBondContact O-N 3.21Å; L56-G59 PolarHBondContact O-N 2.89Å; F57-G59 VanDerWaalsContact C-N 3.35Å; G59-A62 PolarHBondContact O-N 2.83Å; G59-S63 PolarHBondContact O-N 2.85Å
60	G	88.7	Confident	89.4	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-68.1	-33.6	175.2	0	0	0	0	0	113.4	L56 S63 A281	L56-G60 PolarHBondContact O-N 3.11Å; G60-S63 PolarHBondContact O-OG 2.93Å; G60-A281 CarbonylContact C-O 3.56Å; G60-A281 VanDerWaalsContact C-O 3.31Å; G60-A281 WeakPolarHBondContact CA-O 3.39Å
61	G	86.8	Confident	89.8	Confident	5 Å²	5	38.7 Å²	38.7	5%	0.052	22%	0.222	C	C	.	.	H	α-helix	trans	-63.4	-43.4	169.2	0	0	0	0	0	112.7	F57 I58 Y92	F57-G61 PolarHBondContact O-N 3.43Å; I58-G61 PolarHBondContact O-N 2.96Å; G61-Y92 VanDerWaalsContact O-CE2 3.3Å; G61-Y92 WeakPolarHBondContact O-CE2 3.5Å; G61-Y92 PolarHBondContact O-OH 3.43Å
62	A	88.6	Confident	90	Very high	53 Å²	53	33.5 Å²	33.5	44%	0.438	20%	0.197	S	C	.	.	H	α-helix	trans	-74.8	-31.4	-177	0	0	0	0	0	113	I58 G59 L64 V65	I58-A62 WeakPolarHBondContact O-CB 3.4Å; I58-A62 PolarHBondContact O-N 2.69Å; G59-A62 PolarHBondContact O-N 2.83Å; A62-L64 PolarHBondContact O-N 2.79Å; A62-V65 VanDerWaalsContact O-CB 3.22Å; A62-V65 WeakPolarHBondContact O-CB 3.23Å; A62-V65 WeakPolarHBondContact O-CG2 3.4Å; A62-V65 PolarHBondContact O-N 3.28Å
63	S	88	Confident	90.1	Very high	8 Å²	8	32.9 Å²	32.9	6%	0.056	19%	0.191	C	C	.	.	H	α-helix	trans	-58.4	-33.3	176.6	63	0	0	0	0	111.8	G59 G60 V65 I66 Y282	G59-S63 PolarHBondContact O-N 2.85Å; G60-S63 PolarHBondContact O-OG 2.93Å; S63-V65 PolarHBondContact O-N 2.83Å; S63-I66 VanDerWaalsContact O-CB 3.26Å; S63-I66 WeakPolarHBondContact O-CB 3.46Å; S63-I66 WeakPolarHBondContact O-CG1 3.48Å; S63-I66 PolarHBondContact O-N 3.44Å; S63-I66 VanDerWaalsContact O-N 3.16Å; S63-Y282 WeakPolarHBondContact OG-CD2 3.28Å; S63-Y282 VanDerWaalsContact OG-CE2 3.25Å; S63-Y282 WeakPolarHBondContact OG-CE2 3.48Å
64	L	87.7	Confident	90.2	Very high	4 Å²	4	32 Å²	32	2%	0.021	19%	0.186	C	C	.	.	H	α-helix	trans	-70.9	-16.1	176.4	-154.2	86.5	0	0	0	113.6	A62 I66 L67 Y92 N95 A96 P286	A62-L64 PolarHBondContact O-N 2.79Å; L64-I66 PolarHBondContact O-N 2.98Å; L64-L67 HydrophobicContact CD1-CD1 3.44Å; L64-L67 VanDerWaalsContact CD1-CD1 3.44Å; L64-L67 HydrophobicContact CG-CD1 4.07Å; L64-L67 WeakPolarHBondContact O-CB 3.13Å; L64-L67 PolarHBondContact O-N 2.86Å; L64-Y92 HydrophobicContact CB-CD2 4.35Å; L64-Y92 HydrophobicContact CB-CE2 3.77Å; L64-Y92 HydrophobicContact CD2-CD1 4.14Å; L64-Y92 HydrophobicContact CD2-CD2 4.2Å; L64-Y92 HydrophobicContact CD2-CE1 3.95Å; L64-Y92 HydrophobicContact CD2-CE2 4.03Å; L64-Y92 HydrophobicContact CD2-CG 4.26Å; L64-Y92 HydrophobicContact CG-CE2 4.39Å; L64-N95 HydrophobicContact CD1-CB 4.35Å; L64-N95 HydrophobicContact CD2-CB 4.28Å; L64-N95 HydrophobicContact CG-CB 4.26Å; L64-A96 HydrophobicContact CD2-CB 3.53Å; L64-P286 HydrophobicContact CB-CB 4.26Å; L64-P286 HydrophobicContact CB-CG 4.49Å; L64-P286 HydrophobicContact CD2-CB 3.7Å; L64-P286 HydrophobicContact CG-CB 4.4Å
65	V	90.8	Very high	90.4	Very high	67 Å²	67	30.2 Å²	30.2	41%	0.406	18%	0.176	S	C	.	.	H	α-helix	trans	-66.8	-29.9	172.1	-178.4	0	0	0	0	110.7	A62 S63 L67 S68 Y92	A62-V65 VanDerWaalsContact O-CB 3.22Å; A62-V65 WeakPolarHBondContact O-CB 3.23Å; A62-V65 WeakPolarHBondContact O-CG2 3.4Å; A62-V65 PolarHBondContact O-N 3.28Å; S63-V65 PolarHBondContact O-N 2.83Å; V65-L67 VanDerWaalsContact C-N 3.28Å; V65-L67 PolarHBondContact O-N 2.84Å; V65-S68 WeakPolarHBondContact O-CA 3.37Å; V65-S68 WeakPolarHBondContact O-CB 3.43Å; V65-S68 PolarHBondContact O-N 3.39Å; V65-S68 PolarHBondContact O-OG 2.86Å; V65-Y92 HydrophobicContact CG2-CD2 4.04Å; V65-Y92 HydrophobicContact CG2-CE2 3.89Å
66	I	90.7	Very high	90.3	Very high	45 Å²	45	33.5 Å²	33.5	23%	0.231	18%	0.18	C	C	.	.	H	α-helix	trans	-60.3	-41.5	176.9	-61.1	165.8	0	0	0	110.4	S63 L64 S68 M69 V205 A209	S63-I66 VanDerWaalsContact O-CB 3.26Å; S63-I66 WeakPolarHBondContact O-CB 3.46Å; S63-I66 WeakPolarHBondContact O-CG1 3.48Å; S63-I66 PolarHBondContact O-N 3.44Å; S63-I66 VanDerWaalsContact O-N 3.16Å; L64-I66 PolarHBondContact O-N 2.98Å; I66-S68 PolarHBondContact O-N 3.4Å; I66-M69 VanDerWaalsContact O-CB 3.24Å; I66-M69 WeakPolarHBondContact O-CB 3.43Å; I66-M69 VanDerWaalsContact O-CG 3.29Å; I66-M69 WeakPolarHBondContact O-CG 3.39Å; I66-M69 PolarHBondContact O-N 3.29Å; I66-V205 HydrophobicContact CD1-CG1 4.18Å; I66-V205 HydrophobicContact CG2-CB 4.2Å; I66-V205 HydrophobicContact CG2-CG1 3.78Å; I66-A209 HydrophobicContact CD1-CB 3.48Å; I66-A209 VanDerWaalsContact CD1-CB 3.48Å
67	L	89.5	Confident	90.1	Very high	9 Å²	9	33.6 Å²	33.6	5%	0.047	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-18.1	174.4	-86.1	145.8	0	0	0	113.1	L64 V65 M69 Y70 N95 M137 E206	L64-L67 HydrophobicContact CD1-CD1 3.44Å; L64-L67 VanDerWaalsContact CD1-CD1 3.44Å; L64-L67 HydrophobicContact CG-CD1 4.07Å; L64-L67 WeakPolarHBondContact O-CB 3.13Å; L64-L67 PolarHBondContact O-N 2.86Å; V65-L67 VanDerWaalsContact C-N 3.28Å; V65-L67 PolarHBondContact O-N 2.84Å; L67-M69 PolarHBondContact O-N 3.39Å; L67-Y70 HydrophobicContact CD2-CD2 3.99Å; L67-Y70 HydrophobicContact CD2-CE2 3.83Å; L67-Y70 WeakPolarHBondContact O-CD2 3.4Å; L67-Y70 PolarHBondContact O-N 3.47Å; L67-N95 HydrophobicContact CB-CB 4.05Å; L67-N95 HydrophobicContact CD1-CB 4.45Å; L67-N95 HydrophobicContact CD2-CB 4.49Å; L67-N95 PolarHBondContact O-ND2 2.76Å; L67-M137 HydrophobicContact CD2-CE 4.21Å; L67-E206 HydrophobicContact CD1-CG 4.13Å; L67-E206 HydrophobicContact CD2-CG 4.35Å; L67-E206 WeakPolarHBondContact CD2-OE1 3.33Å; L67-E206 HydrophobicContact CG-CG 4.01Å
68	S	91.6	Very high	90	Very high	1 Å²	1	32 Å²	32	1%	0.007	18%	0.176	C	C	.	.	H	α-helix	trans	-70.5	-17.7	172.9	-51.8	0	0	0	0	113.7	V65 I66 Y70 D71 V72 S91	V65-S68 WeakPolarHBondContact O-CA 3.37Å; V65-S68 WeakPolarHBondContact O-CB 3.43Å; V65-S68 PolarHBondContact O-N 3.39Å; V65-S68 PolarHBondContact O-OG 2.86Å; I66-S68 PolarHBondContact O-N 3.4Å; S68-Y70 VanDerWaalsContact C-N 3.25Å; S68-Y70 PolarHBondContact O-N 3.01Å; S68-D71 PolarHBondContact O-N 3.47Å; S68-V72 WeakPolarHBondContact O-CG2 3.46Å; S68-V72 PolarHBondContact O-N 2.94Å; S68-V72 VanDerWaalsContact O-N 3.09Å; S68-S91 VanDerWaalsContact CA-OG 3.27Å; S68-S91 WeakPolarHBondContact CA-OG 3.47Å
69	M	92.3	Very high	89.9	Confident	76 Å²	76	36 Å²	36	37%	0.374	19%	0.189	S	C	.	.	H	α-helix	trans	-64.9	-29.8	176.4	-63.9	-59.6	100.7	0	0	112.3	I66 L67 D71 V72 I73 L88 V202	I66-M69 VanDerWaalsContact O-CB 3.24Å; I66-M69 WeakPolarHBondContact O-CB 3.43Å; I66-M69 VanDerWaalsContact O-CG 3.29Å; I66-M69 WeakPolarHBondContact O-CG 3.39Å; I66-M69 PolarHBondContact O-N 3.29Å; L67-M69 PolarHBondContact O-N 3.39Å; M69-D71 VanDerWaalsContact C-N 3.31Å; M69-D71 PolarHBondContact O-N 3.26Å; M69-V72 HydrophobicContact CE-CG2 4.05Å; M69-V72 PolarHBondContact O-N 3.16Å; M69-I73 WeakPolarHBondContact O-CD1 3.45Å; M69-I73 VanDerWaalsContact O-CG1 3.23Å; M69-I73 WeakPolarHBondContact O-CG1 3.08Å; M69-I73 PolarHBondContact O-N 3.05Å; M69-L88 HydrophobicContact CE-CD2 3.96Å; M69-V202 HydrophobicContact CB-CG1 4.01Å; M69-V202 HydrophobicContact CB-CG2 3.7Å
70	Y	90.9	Very high	89.7	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-56.2	-47.5	172.4	-75.1	-64.5	0	0	0	111.9	L67 S68 I73 L74 I133 M137 C199 V202 S203	L67-Y70 HydrophobicContact CD2-CD2 3.99Å; L67-Y70 HydrophobicContact CD2-CE2 3.83Å; L67-Y70 WeakPolarHBondContact O-CD2 3.4Å; L67-Y70 PolarHBondContact O-N 3.47Å; S68-Y70 VanDerWaalsContact C-N 3.25Å; S68-Y70 PolarHBondContact O-N 3.01Å; Y70-I73 PolarHBondContact O-N 3.19Å; Y70-L74 WeakPolarHBondContact O-CB 3.23Å; Y70-L74 PolarHBondContact O-N 3.31Å; Y70-I133 HydrophobicContact CD1-CG1 4.4Å; Y70-I133 HydrophobicContact CD1-CG2 3.89Å; Y70-I133 HydrophobicContact CG-CG2 4.01Å; Y70-M137 HydrophobicContact CD2-CE 3.97Å; Y70-M137 HydrophobicContact CE2-CE 4.05Å; Y70-M137 HydrophobicContact CE2-CG 4.09Å; Y70-M137 HydrophobicContact CG-CE 4.49Å; Y70-C199 HydrophobicContact CD1-CB 4.25Å; Y70-C199 HydrophobicContact CE1-CB 3.9Å; Y70-C199 WeakPolarHBondContact CE1-O 3.3Å; Y70-C199 PolarHBondContact OH-O 2.85Å; Y70-V202 HydrophobicContact CD1-CB 4.41Å; Y70-V202 HydrophobicContact CD1-CG1 4.2Å; Y70-V202 HydrophobicContact CD2-CG1 3.73Å; Y70-V202 HydrophobicContact CE1-CB 4.04Å; Y70-V202 HydrophobicContact CE1-CG1 4Å; Y70-V202 HydrophobicContact CE2-CB 4.38Å; Y70-V202 HydrophobicContact CE2-CG1 3.51Å; Y70-V202 HydrophobicContact CG-CG1 4.07Å; Y70-S203 WeakPolarHBondContact OH-CA 3.31Å; Y70-S203 WeakPolarHBondContact OH-CB 3.3Å; Y70-S203 PolarHBondContact OH-N 3.45Å
71	D	92.2	Very high	89.6	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-76.8	-26.4	-177.2	-64.1	-100.1	0	0	0	112.1	S68 M69 L74 S75 V87 S91 R112 Y116	S68-D71 PolarHBondContact O-N 3.47Å; M69-D71 VanDerWaalsContact C-N 3.31Å; M69-D71 PolarHBondContact O-N 3.26Å; D71-L74 WeakPolarHBondContact O-CB 3.27Å; D71-L74 PolarHBondContact O-N 3.11Å; D71-S75 WeakPolarHBondContact O-CB 3.28Å; D71-S75 PolarHBondContact O-N 3.45Å; D71-S75 PolarHBondContact O-OG 3.37Å; D71-V87 HydrophobicContact CB-CG1 3.91Å; D71-S91 VanDerWaalsContact CG-CB 3.5Å; D71-S91 WeakPolarHBondContact OD2-CB 3.27Å; D71-S91 PolarHBondContact OD2-OG 2.98Å; D71-R112 WeakPolarHBondContact OD1-CD 3.45Å; D71-R112 IonicContact OD1-CZ 3.84Å; D71-R112 IonicContact OD1-NE 2.78Å; D71-R112 PolarHBondContact OD1-NE 3.44Å; D71-R112 IonicContact OD1-NH2 2.85Å; D71-R112 IonicContact OD2-CZ 2.93Å; D71-R112 IonicContact OD2-NE 3.8Å; D71-R112 PolarHBondContact OD2-NE 3.23Å; D71-R112 IonicContact OD2-NH2 3.3Å; D71-R112 PolarHBondContact OD2-NH2 3.11Å; D71-Y116 HydrophobicContact CB-CE2 4.43Å; D71-Y116 WeakPolarHBondContact CB-OH 3.49Å; D71-Y116 VanDerWaalsContact OD1-CE2 3.23Å; D71-Y116 WeakPolarHBondContact OD1-CE2 3.36Å; D71-Y116 PolarHBondContact OD1-OH 3.48Å
72	V	93.1	Very high	89.5	Confident	10 Å²	10	43.2 Å²	43.2	6%	0.061	22%	0.219	C	C	.	.	H	α-helix	trans	-68.7	-41.1	169.3	174.9	0	0	0	0	111.4	S68 M69 L74 S75 R76 L84 V87 L88	S68-V72 WeakPolarHBondContact O-CG2 3.46Å; S68-V72 PolarHBondContact O-N 2.94Å; S68-V72 VanDerWaalsContact O-N 3.09Å; M69-V72 HydrophobicContact CE-CG2 4.05Å; M69-V72 PolarHBondContact O-N 3.16Å; V72-L74 VanDerWaalsContact C-N 3.33Å; V72-S75 PolarHBondContact O-N 2.84Å; V72-S75 PolarHBondContact O-OG 3.42Å; V72-S75 VanDerWaalsContact O-OG 3.06Å; V72-R76 WeakPolarHBondContact O-CB 3.28Å; V72-R76 WeakPolarHBondContact O-CG 3.5Å; V72-R76 PolarHBondContact O-N 2.78Å; V72-R76 VanDerWaalsContact O-N 3.08Å; V72-L84 HydrophobicContact CG1-CD1 4.08Å; V72-L84 HydrophobicContact CG2-CD1 3.77Å; V72-V87 HydrophobicContact CG2-CG1 3.97Å; V72-L88 HydrophobicContact CG2-CD2 4.14Å
73	I	91.6	Very high	89.7	Confident	28 Å²	28	44.3 Å²	44.3	14%	0.144	22%	0.223	C	C	.	.	H	α-helix	trans	-62.6	-45.1	173.6	-67.6	160.8	0	0	0	109.5	M69 Y70 R76 A77 V195 V202	M69-I73 WeakPolarHBondContact O-CD1 3.45Å; M69-I73 VanDerWaalsContact O-CG1 3.23Å; M69-I73 WeakPolarHBondContact O-CG1 3.08Å; M69-I73 PolarHBondContact O-N 3.05Å; Y70-I73 PolarHBondContact O-N 3.19Å; I73-R76 PolarHBondContact O-N 3.45Å; I73-A77 VanDerWaalsContact O-CB 3.23Å; I73-A77 WeakPolarHBondContact O-CB 3.12Å; I73-A77 PolarHBondContact O-N 3.33Å; I73-V195 HydrophobicContact CG2-CG1 3.8Å; I73-V195 HydrophobicContact CG2-CG2 4.32Å; I73-V202 HydrophobicContact CD1-CG2 3.73Å
74	L	90.7	Very high	89.8	Confident	2 Å²	2	48.4 Å²	48.4	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-57.2	-50.1	175.8	-178.5	66.6	0	0	0	111.9	Y70 D71 V72 R76 A77 L78 Y116 L126 F129 I130 I133	Y70-L74 WeakPolarHBondContact O-CB 3.23Å; Y70-L74 PolarHBondContact O-N 3.31Å; D71-L74 WeakPolarHBondContact O-CB 3.27Å; D71-L74 PolarHBondContact O-N 3.11Å; V72-L74 VanDerWaalsContact C-N 3.33Å; L74-R76 VanDerWaalsContact C-N 3.33Å; L74-R76 PolarHBondContact O-N 3.19Å; L74-A77 PolarHBondContact O-N 3.28Å; L74-L78 HydrophobicContact CD1-CD1 3.68Å; L74-L78 HydrophobicContact CD1-CG 4.44Å; L74-L78 HydrophobicContact CG-CD1 4.23Å; L74-L78 WeakPolarHBondContact O-CB 3.35Å; L74-L78 PolarHBondContact O-N 3.25Å; L74-Y116 HydrophobicContact CD2-CD2 3.85Å; L74-Y116 HydrophobicContact CD2-CE2 4.16Å; L74-Y116 HydrophobicContact CD2-CG 4.47Å; L74-L126 HydrophobicContact CD1-CD1 4.27Å; L74-L126 HydrophobicContact CD2-CD1 4.16Å; L74-F129 HydrophobicContact CD1-CB 3.34Å; L74-F129 HydrophobicContact CD1-CG 4.01Å; L74-I130 HydrophobicContact CD2-CG1 4.47Å; L74-I133 HydrophobicContact CB-CD1 4.08Å; L74-I133 HydrophobicContact CD1-CD1 4.28Å; L74-I133 HydrophobicContact CD2-CD1 4.32Å; L74-I133 HydrophobicContact CG-CD1 4.48Å
75	S	91.1	Very high	89.9	Confident	14 Å²	14	50 Å²	50	10%	0.098	26%	0.261	C	S	.	.	H	α-helix	trans	-64.5	-37.9	-176.6	74.8	0	0	0	0	112.2	D71 V72 K79 M80	D71-S75 WeakPolarHBondContact O-CB 3.28Å; D71-S75 PolarHBondContact O-N 3.45Å; D71-S75 PolarHBondContact O-OG 3.37Å; V72-S75 PolarHBondContact O-N 2.84Å; V72-S75 PolarHBondContact O-OG 3.42Å; V72-S75 VanDerWaalsContact O-OG 3.06Å; S75-K79 PolarHBondContact O-N 3.37Å; S75-K79 VanDerWaalsContact O-N 3.15Å; S75-M80 PolarHBondContact O-N 2.83Å
76	R	89.7	Confident	89.8	Confident	184 Å²	184	48.7 Å²	48.7	69%	0.694	25%	0.25	S	S	*	.	H	α-helix	trans	-71.5	-43.9	175.8	-71.4	-179.1	179.6	-173.4	1.2	112.1	V72 I73 L74 L78 K79	V72-R76 WeakPolarHBondContact O-CB 3.28Å; V72-R76 WeakPolarHBondContact O-CG 3.5Å; V72-R76 PolarHBondContact O-N 2.78Å; V72-R76 VanDerWaalsContact O-N 3.08Å; I73-R76 PolarHBondContact O-N 3.45Å; L74-R76 VanDerWaalsContact C-N 3.33Å; L74-R76 PolarHBondContact O-N 3.19Å; R76-L78 VanDerWaalsContact C-N 3.26Å; R76-L78 PolarHBondContact O-N 3.44Å; R76-K79 PolarHBondContact O-N 3.31Å
77	A	87.9	Confident	89.8	Confident	11 Å²	11	46.5 Å²	46.5	9%	0.091	24%	0.239	C	C	.	.	H	α-helix	trans	-62.9	-34	-179.7	0	0	0	0	0	112.5	I73 L74 F129 N192 V195	I73-A77 VanDerWaalsContact O-CB 3.23Å; I73-A77 WeakPolarHBondContact O-CB 3.12Å; I73-A77 PolarHBondContact O-N 3.33Å; L74-A77 PolarHBondContact O-N 3.28Å; A77-F129 HydrophobicContact CB-CE1 3.97Å; A77-F129 HydrophobicContact CB-CZ 3.95Å; A77-N192 PolarHBondContact O-ND2 3.17Å; A77-N192 VanDerWaalsContact O-ND2 3.08Å; A77-V195 HydrophobicContact CB-CG2 4.18Å
78	L	88	Confident	90	Very high	20 Å²	20	48.6 Å²	48.6	11%	0.105	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	2.3	179	-69.6	174.9	0	0	0	114.4	L74 R76 M80 K125 L126 F129	L74-L78 HydrophobicContact CD1-CD1 3.68Å; L74-L78 HydrophobicContact CD1-CG 4.44Å; L74-L78 HydrophobicContact CG-CD1 4.23Å; L74-L78 WeakPolarHBondContact O-CB 3.35Å; L74-L78 PolarHBondContact O-N 3.25Å; R76-L78 VanDerWaalsContact C-N 3.26Å; R76-L78 PolarHBondContact O-N 3.44Å; L78-M80 VanDerWaalsContact C-N 3.34Å; L78-M80 HydrophobicContact CB-CG 3.65Å; L78-M80 HydrophobicContact CB-SD 4Å; L78-M80 HydrophobicContact CD1-SD 4.16Å; L78-M80 PolarHBondContact O-N 2.86Å; L78-K125 HydrophobicContact CD2-CB 3.81Å; L78-K125 HydrophobicContact CD2-CD 4.47Å; L78-L126 HydrophobicContact CD1-CB 4.16Å; L78-L126 HydrophobicContact CD1-CD1 3.72Å; L78-F129 HydrophobicContact CD1-CD2 4.27Å; L78-F129 HydrophobicContact CD2-CD2 3.72Å; L78-F129 HydrophobicContact CD2-CE2 3.69Å; L78-F129 HydrophobicContact CG-CD2 4Å; L78-F129 HydrophobicContact CG-CE2 4.18Å
79	K	86.7	Confident	89.9	Confident	186 Å²	186	53.4 Å²	53.4	81%	0.809	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.7	52.8	-177.4	-60.5	-175.4	178.9	-175.3	0	112.8	S75 R76	S75-K79 PolarHBondContact O-N 3.37Å; S75-K79 VanDerWaalsContact O-N 3.15Å; R76-K79 PolarHBondContact O-N 3.31Å
80	M	86.9	Confident	89.8	Confident	17 Å²	17	49.9 Å²	49.9	8%	0.084	25%	0.251	C	S	.	.			trans	-83.4	137.3	-173.7	-60.7	176.6	61.5	0	0	112.2	S75 L78 I82 Y116 Y119	S75-M80 PolarHBondContact O-N 2.83Å; L78-M80 VanDerWaalsContact C-N 3.34Å; L78-M80 HydrophobicContact CB-CG 3.65Å; L78-M80 HydrophobicContact CB-SD 4Å; L78-M80 HydrophobicContact CD1-SD 4.16Å; L78-M80 PolarHBondContact O-N 2.86Å; M80-I82 HydrophobicContact CB-CG2 4.01Å; M80-I82 PolarHBondContact O-N 2.99Å; M80-Y116 HydrophobicContact CE-CD1 3.47Å; M80-Y116 VanDerWaalsContact CE-CD1 3.47Å; M80-Y116 HydrophobicContact CE-CG 3.82Å; M80-Y116 VanDerWaalsContact CE-O 3.32Å; M80-Y116 WeakPolarHBondContact CE-O 3.43Å; M80-Y116 HydrophobicContact SD-CD1 4.38Å; M80-Y119 WeakPolarHBondContact CA-O 3.22Å; M80-Y119 WeakPolarHBondContact CB-O 3.32Å; M80-Y119 HydrophobicContact CE-CG 4.42Å
81	D	86.4	Confident	89.8	Confident	147 Å²	147	49.9 Å²	49.9	79%	0.786	25%	0.251	S	S	*	.			trans	-78.6	63.7	178.1	-67.6	-28.5	0	0	0	112.1	Y119	D81-Y119 VanDerWaalsContact O-CD1 3.25Å; D81-Y119 WeakPolarHBondContact O-CD1 3.42Å
82	I	86.3	Confident	89.9	Confident	26 Å²	26	50.6 Å²	50.6	13%	0.133	25%	0.253	C	S	.	.			trans	-132.9	136.6	-179.5	-169.5	170.4	0	0	0	111.1	M80 K86 V87 Y116 Y119	M80-I82 HydrophobicContact CB-CG2 4.01Å; M80-I82 PolarHBondContact O-N 2.99Å; I82-K86 HydrophobicContact CD1-CB 4.26Å; I82-K86 HydrophobicContact CD1-CD 4.02Å; I82-K86 HydrophobicContact CD1-CG 4.01Å; I82-K86 HydrophobicContact CG1-CB 4.02Å; I82-K86 HydrophobicContact CG1-CD 4.11Å; I82-K86 HydrophobicContact CG1-CG 4.23Å; I82-V87 HydrophobicContact CB-CG2 4.32Å; I82-V87 HydrophobicContact CD1-CG2 4.06Å; I82-V87 HydrophobicContact CG1-CG2 4.03Å; I82-V87 HydrophobicContact CG2-CG2 3.45Å; I82-V87 VanDerWaalsContact CG2-CG2 3.45Å; I82-Y116 HydrophobicContact CD1-CD1 4.45Å; I82-Y116 HydrophobicContact CD1-CE1 4.09Å; I82-Y119 HydrophobicContact CB-CD1 3.97Å; I82-Y119 HydrophobicContact CB-CE1 4.26Å; I82-Y119 HydrophobicContact CB-CG 4.2Å; I82-Y119 HydrophobicContact CD1-CD2 4.04Å; I82-Y119 HydrophobicContact CD1-CE1 4.48Å; I82-Y119 HydrophobicContact CD1-CE2 3.9Å; I82-Y119 HydrophobicContact CD1-CG 4.39Å; I82-Y119 HydrophobicContact CG1-CD1 4.46Å; I82-Y119 HydrophobicContact CG1-CE1 4.32Å
83	S	90.9	Very high	89.6	Confident	76 Å²	76	50.2 Å²	50.2	53%	0.531	25%	0.251	S	S	.	.			trans	-69.1	143	178.3	67	0	0	0	0	111.7	G85 K86 V87	S83-G85 VanDerWaalsContact C-N 3.26Å; S83-G85 PolarHBondContact O-N 3.35Å; S83-K86 WeakPolarHBondContact O-CB 3.41Å; S83-K86 PolarHBondContact O-N 3.36Å; S83-V87 PolarHBondContact O-N 3.27Å
84	L	90.4	Very high	89.4	Confident	93 Å²	93	49 Å²	49	49%	0.487	25%	0.245	S	C	.	.	H	α-helix	trans	-54.9	-42.7	-179.8	-172.5	72.5	0	0	0	111.9	V72 K86 V87 L88	V72-L84 HydrophobicContact CG1-CD1 4.08Å; V72-L84 HydrophobicContact CG2-CD1 3.77Å; L84-K86 VanDerWaalsContact C-N 3.25Å; L84-K86 PolarHBondContact O-N 3.42Å; L84-V87 WeakPolarHBondContact O-CB 3.45Å; L84-V87 PolarHBondContact O-N 3.02Å; L84-V87 VanDerWaalsContact O-N 3.12Å; L84-L88 HydrophobicContact CG-CD1 4.37Å; L84-L88 HydrophobicContact CG-CG 4.48Å; L84-L88 WeakPolarHBondContact O-CG 3.32Å; L84-L88 PolarHBondContact O-N 3.13Å
85	G	89.6	Confident	89.3	Confident	38 Å²	38	49.1 Å²	49.1	39%	0.392	25%	0.245	S	C	.	.	H	α-helix	trans	-62.3	-29.5	177.7	0	0	0	0	0	113.7	S83 R89	S83-G85 VanDerWaalsContact C-N 3.26Å; S83-G85 PolarHBondContact O-N 3.35Å; G85-R89 WeakPolarHBondContact O-CG 3.25Å; G85-R89 PolarHBondContact O-N 2.79Å; G85-R89 PolarHBondContact O-NE 3.05Å
86	K	88.7	Confident	89.1	Confident	39 Å²	39	48.4 Å²	48.4	17%	0.17	24%	0.241	C	C	.	.	H	α-helix	trans	-76.4	-40.4	172.6	-169.7	172.3	-174.1	174.8	0	111.5	I82 S83 L84 L88 R89 V90 Y119	I82-K86 HydrophobicContact CD1-CB 4.26Å; I82-K86 HydrophobicContact CD1-CD 4.02Å; I82-K86 HydrophobicContact CD1-CG 4.01Å; I82-K86 HydrophobicContact CG1-CB 4.02Å; I82-K86 HydrophobicContact CG1-CD 4.11Å; I82-K86 HydrophobicContact CG1-CG 4.23Å; S83-K86 WeakPolarHBondContact O-CB 3.41Å; S83-K86 PolarHBondContact O-N 3.36Å; L84-K86 VanDerWaalsContact C-N 3.25Å; L84-K86 PolarHBondContact O-N 3.42Å; K86-L88 PolarHBondContact O-N 3.45Å; K86-R89 PolarHBondContact O-N 3.05Å; K86-V90 HydrophobicContact CG-CG2 4.17Å; K86-V90 WeakPolarHBondContact O-CB 3.15Å; K86-V90 VanDerWaalsContact O-CG2 3.29Å; K86-V90 WeakPolarHBondContact O-CG2 3.47Å; K86-V90 PolarHBondContact O-N 2.9Å; K86-Y119 PolarHBondContact NZ-OH 2.65Å
87	V	91.8	Very high	88.5	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-57.6	-48.3	175.2	176.8	0	0	0	0	110.8	D71 V72 I82 S83 L84 V90 S91	D71-V87 HydrophobicContact CB-CG1 3.91Å; V72-V87 HydrophobicContact CG2-CG1 3.97Å; I82-V87 HydrophobicContact CB-CG2 4.32Å; I82-V87 HydrophobicContact CD1-CG2 4.06Å; I82-V87 HydrophobicContact CG1-CG2 4.03Å; I82-V87 HydrophobicContact CG2-CG2 3.45Å; I82-V87 VanDerWaalsContact CG2-CG2 3.45Å; S83-V87 PolarHBondContact O-N 3.27Å; L84-V87 WeakPolarHBondContact O-CB 3.45Å; L84-V87 PolarHBondContact O-N 3.02Å; L84-V87 VanDerWaalsContact O-N 3.12Å; V87-V90 PolarHBondContact O-N 3.22Å; V87-S91 WeakPolarHBondContact O-CB 2.97Å; V87-S91 PolarHBondContact O-N 2.87Å
88	L	92.9	Very high	88.1	Confident	52 Å²	52	42.8 Å²	42.8	27%	0.272	22%	0.223	S	C	.	.	H	α-helix	trans	-60.3	-49	179.4	-66.7	176.8	0	0	0	111.9	M69 V72 L84 K86 S91 Y92	M69-L88 HydrophobicContact CE-CD2 3.96Å; V72-L88 HydrophobicContact CG2-CD2 4.14Å; L84-L88 HydrophobicContact CG-CD1 4.37Å; L84-L88 HydrophobicContact CG-CG 4.48Å; L84-L88 WeakPolarHBondContact O-CG 3.32Å; L84-L88 PolarHBondContact O-N 3.13Å; K86-L88 PolarHBondContact O-N 3.45Å; L88-S91 PolarHBondContact O-N 2.58Å; L88-Y92 VanDerWaalsContact O-CB 3.29Å; L88-Y92 WeakPolarHBondContact O-CB 3.37Å; L88-Y92 PolarHBondContact O-N 2.83Å
89	R	90.9	Very high	87.5	Confident	103 Å²	103	43.1 Å²	43.1	39%	0.389	23%	0.228	S	C	.	.	H	α-helix	trans	-63.5	-45.4	180	-71.6	179.2	-68	161.9	14	112.4	G85 K86 I93 L293 E297	G85-R89 WeakPolarHBondContact O-CG 3.25Å; G85-R89 PolarHBondContact O-N 2.79Å; G85-R89 PolarHBondContact O-NE 3.05Å; K86-R89 PolarHBondContact O-N 3.05Å; R89-I93 WeakPolarHBondContact O-CD1 3.42Å; R89-I93 VanDerWaalsContact O-CG1 3.26Å; R89-I93 WeakPolarHBondContact O-CG1 3.36Å; R89-I93 PolarHBondContact O-N 3.05Å; R89-L293 HydrophobicContact CG-CD2 4.33Å; R89-E297 HydrophobicContact CB-CG 4.18Å; R89-E297 IonicContact CZ-OE1 2.95Å; R89-E297 IonicContact CZ-OE2 3.33Å; R89-E297 IonicContact NE-OE1 2.79Å; R89-E297 PolarHBondContact NE-OE1 3.29Å; R89-E297 IonicContact NH1-OE1 3.81Å; R89-E297 PolarHBondContact NH1-OE1 3.48Å; R89-E297 IonicContact NH2-OE1 3.66Å; R89-E297 PolarHBondContact NH2-OE1 2.92Å; R89-E297 IonicContact NH2-OE2 2.88Å
90	V	89	Confident	86.6	Confident	2 Å²	2	38.1 Å²	38.1	1%	0.012	21%	0.209	C	C	.	.	H	α-helix	trans	-64.1	-47.3	178.3	168.1	0	0	0	0	110.7	K86 V87 Y92 I93 I94 V115	K86-V90 HydrophobicContact CG-CG2 4.17Å; K86-V90 WeakPolarHBondContact O-CB 3.15Å; K86-V90 VanDerWaalsContact O-CG2 3.29Å; K86-V90 WeakPolarHBondContact O-CG2 3.47Å; K86-V90 PolarHBondContact O-N 2.9Å; V87-V90 PolarHBondContact O-N 3.22Å; V90-Y92 VanDerWaalsContact C-N 3.35Å; V90-Y92 PolarHBondContact O-N 2.81Å; V90-I93 PolarHBondContact O-N 2.8Å; V90-I94 HydrophobicContact CG1-CD1 3.64Å; V90-I94 HydrophobicContact CG1-CG1 4.35Å; V90-I94 VanDerWaalsContact O-CG1 3.26Å; V90-I94 WeakPolarHBondContact O-CG1 3.32Å; V90-I94 PolarHBondContact O-N 3.27Å; V90-V115 HydrophobicContact CG1-CB 4.33Å; V90-V115 HydrophobicContact CG1-CG1 3.86Å; V90-V115 HydrophobicContact CG1-CG2 4.38Å; V90-V115 HydrophobicContact CG2-CG1 4.35Å
91	S	92	Very high	85.5	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-63.5	-41.5	-179.5	-178.7	0	0	0	0	112.1	S68 D71 V87 L88 I93 I94 N95	S68-S91 VanDerWaalsContact CA-OG 3.27Å; S68-S91 WeakPolarHBondContact CA-OG 3.47Å; D71-S91 VanDerWaalsContact CG-CB 3.5Å; D71-S91 WeakPolarHBondContact OD2-CB 3.27Å; D71-S91 PolarHBondContact OD2-OG 2.98Å; V87-S91 WeakPolarHBondContact O-CB 2.97Å; V87-S91 PolarHBondContact O-N 2.87Å; L88-S91 PolarHBondContact O-N 2.58Å; S91-I93 VanDerWaalsContact C-N 3.31Å; S91-I93 PolarHBondContact O-N 3.06Å; S91-I94 PolarHBondContact O-N 3.12Å; S91-N95 WeakPolarHBondContact O-CB 3.06Å; S91-N95 PolarHBondContact O-N 3.48Å; S91-N95 PolarHBondContact O-ND2 2.79Å; S91-N95 PolarHBondContact OG-ND2 3Å
92	Y	92.7	Very high	84	Confident	14 Å²	14	34 Å²	34	6%	0.055	20%	0.195	C	C	.	.	H	α-helix	trans	-55.5	-47.3	174	-165.4	-81.3	0	0	0	111.4	G61 L64 V65 L88 V90 I94 N95 A96 P286 I289 A290 L293	G61-Y92 VanDerWaalsContact O-CE2 3.3Å; G61-Y92 WeakPolarHBondContact O-CE2 3.5Å; G61-Y92 PolarHBondContact O-OH 3.43Å; L64-Y92 HydrophobicContact CB-CD2 4.35Å; L64-Y92 HydrophobicContact CB-CE2 3.77Å; L64-Y92 HydrophobicContact CD2-CD1 4.14Å; L64-Y92 HydrophobicContact CD2-CD2 4.2Å; L64-Y92 HydrophobicContact CD2-CE1 3.95Å; L64-Y92 HydrophobicContact CD2-CE2 4.03Å; L64-Y92 HydrophobicContact CD2-CG 4.26Å; L64-Y92 HydrophobicContact CG-CE2 4.39Å; V65-Y92 HydrophobicContact CG2-CD2 4.04Å; V65-Y92 HydrophobicContact CG2-CE2 3.89Å; L88-Y92 VanDerWaalsContact O-CB 3.29Å; L88-Y92 WeakPolarHBondContact O-CB 3.37Å; L88-Y92 PolarHBondContact O-N 2.83Å; V90-Y92 VanDerWaalsContact C-N 3.35Å; V90-Y92 PolarHBondContact O-N 2.81Å; Y92-I94 PolarHBondContact O-N 3.16Å; Y92-N95 PolarHBondContact O-N 3.14Å; Y92-A96 VanDerWaalsContact O-CB 3.26Å; Y92-A96 WeakPolarHBondContact O-CB 3.48Å; Y92-A96 PolarHBondContact O-N 2.9Å; Y92-P286 HydrophobicContact CE1-CB 4.36Å; Y92-P286 WeakPolarHBondContact CE1-O 3.29Å; Y92-P286 WeakPolarHBondContact OH-CA 3.39Å; Y92-I289 HydrophobicContact CD1-CG2 4.12Å; Y92-I289 HydrophobicContact CE1-CB 3.74Å; Y92-I289 HydrophobicContact CE1-CG2 3.45Å; Y92-I289 VanDerWaalsContact CE1-CG2 3.45Å; Y92-I289 WeakPolarHBondContact OH-CD1 3.21Å; Y92-A290 HydrophobicContact CD1-CB 4.33Å; Y92-L293 HydrophobicContact CD1-CD1 3.97Å; Y92-L293 HydrophobicContact CG-CD1 4.36Å
93	I	88.4	Confident	82.7	Confident	2 Å²	2	39.2 Å²	39.2	1%	0.01	22%	0.217	C	C	.	.	H	α-helix	trans	-60.7	-46.8	177.6	-62.3	160.4	0	0	0	111	R89 V90 S91 N95 L97 A290 L293 E297 F298	R89-I93 WeakPolarHBondContact O-CD1 3.42Å; R89-I93 VanDerWaalsContact O-CG1 3.26Å; R89-I93 WeakPolarHBondContact O-CG1 3.36Å; R89-I93 PolarHBondContact O-N 3.05Å; V90-I93 PolarHBondContact O-N 2.8Å; S91-I93 VanDerWaalsContact C-N 3.31Å; S91-I93 PolarHBondContact O-N 3.06Å; I93-N95 PolarHBondContact O-N 2.96Å; I93-L97 HydrophobicContact CG2-CD1 3.87Å; I93-L97 HydrophobicContact CG2-CG 4.42Å; I93-L97 WeakPolarHBondContact O-CB 3.31Å; I93-L97 VanDerWaalsContact O-CG 3.27Å; I93-L97 WeakPolarHBondContact O-CG 3.43Å; I93-L97 PolarHBondContact O-N 3.31Å; I93-L97 VanDerWaalsContact O-N 3.08Å; I93-A290 HydrophobicContact CB-CB 4.42Å; I93-A290 HydrophobicContact CG1-CB 4.33Å; I93-A290 HydrophobicContact CG2-CB 4.46Å; I93-L293 HydrophobicContact CD1-CB 3.93Å; I93-L293 HydrophobicContact CG1-CB 3.93Å; I93-E297 HydrophobicContact CD1-CB 4.3Å; I93-E297 HydrophobicContact CD1-CG 4.25Å; I93-F298 HydrophobicContact CD1-CD2 4.5Å; I93-F298 HydrophobicContact CD1-CE2 3.87Å; I93-F298 HydrophobicContact CG2-CE2 4.07Å
94	I	87	Confident	81.2	Confident	2 Å²	2	38.4 Å²	38.4	1%	0.01	22%	0.221	C	C	.	.	H	α-helix	trans	-60.6	-47.9	-178.8	-69.7	172.9	0	0	0	110.8	V90 S91 Y92 N98 V111 R112	V90-I94 HydrophobicContact CG1-CD1 3.64Å; V90-I94 HydrophobicContact CG1-CG1 4.35Å; V90-I94 VanDerWaalsContact O-CG1 3.26Å; V90-I94 WeakPolarHBondContact O-CG1 3.32Å; V90-I94 PolarHBondContact O-N 3.27Å; S91-I94 PolarHBondContact O-N 3.12Å; Y92-I94 PolarHBondContact O-N 3.16Å; I94-N98 VanDerWaalsContact O-CB 3.29Å; I94-N98 WeakPolarHBondContact O-CB 3.01Å; I94-N98 PolarHBondContact O-N 2.98Å; I94-V111 HydrophobicContact CD1-CB 4.35Å; I94-V111 HydrophobicContact CD1-CG1 3.88Å; I94-V111 HydrophobicContact CG1-CB 4.07Å; I94-V111 HydrophobicContact CG1-CG1 3.59Å; I94-R112 HydrophobicContact CD1-CB 4.45Å; I94-R112 HydrophobicContact CD1-CG 3.63Å; I94-R112 HydrophobicContact CG2-CG 3.97Å
95	N	88.5	Confident	80	Confident	5 Å²	5	34.2 Å²	34.2	3%	0.027	20%	0.2	C	C	.	.	H	α-helix	trans	-71.3	-37.1	-176.8	-71.1	-48.7	0	0	0	112.4	L64 L67 S91 Y92 I93 N98 A99 R112	L64-N95 HydrophobicContact CD1-CB 4.35Å; L64-N95 HydrophobicContact CD2-CB 4.28Å; L64-N95 HydrophobicContact CG-CB 4.26Å; L67-N95 HydrophobicContact CB-CB 4.05Å; L67-N95 HydrophobicContact CD1-CB 4.45Å; L67-N95 HydrophobicContact CD2-CB 4.49Å; L67-N95 PolarHBondContact O-ND2 2.76Å; S91-N95 WeakPolarHBondContact O-CB 3.06Å; S91-N95 PolarHBondContact O-N 3.48Å; S91-N95 PolarHBondContact O-ND2 2.79Å; S91-N95 PolarHBondContact OG-ND2 3Å; Y92-N95 PolarHBondContact O-N 3.14Å; I93-N95 PolarHBondContact O-N 2.96Å; N95-N98 WeakPolarHBondContact O-CB 3.44Å; N95-N98 PolarHBondContact O-N 3.43Å; N95-A99 PolarHBondContact O-N 3.41Å; N95-R112 PolarHBondContact ND2-NH2 2.79Å; N95-R112 PolarHBondContact OD1-NH2 2.9Å
96	A	87	Confident	79	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-63.7	-45.4	176.3	0	0	0	0	0	111.2	L64 Y92 N98 A99 P286 V287 A290	L64-A96 HydrophobicContact CD2-CB 3.53Å; Y92-A96 VanDerWaalsContact O-CB 3.26Å; Y92-A96 WeakPolarHBondContact O-CB 3.48Å; Y92-A96 PolarHBondContact O-N 2.9Å; A96-N98 VanDerWaalsContact C-N 3.29Å; A96-N98 PolarHBondContact O-N 2.94Å; A96-A99 PolarHBondContact O-N 3.44Å; A96-P286 HydrophobicContact CB-CB 4.4Å; A96-V287 HydrophobicContact CB-CG2 4.2Å; A96-V287 WeakPolarHBondContact O-CG2 3.5Å; A96-A290 HydrophobicContact CB-CB 3.39Å
97	L	76.4	Confident	77.9	Confident	50 Å²	50	41 Å²	41	26%	0.262	22%	0.221	S	C	.	.	H	α-helix	trans	-64.1	-37.8	174.7	-68.9	174.8	0	0	0	111.3	I93 A99 I100 V101	I93-L97 HydrophobicContact CG2-CD1 3.87Å; I93-L97 HydrophobicContact CG2-CG 4.42Å; I93-L97 WeakPolarHBondContact O-CB 3.31Å; I93-L97 VanDerWaalsContact O-CG 3.27Å; I93-L97 WeakPolarHBondContact O-CG 3.43Å; I93-L97 PolarHBondContact O-N 3.31Å; I93-L97 VanDerWaalsContact O-N 3.08Å; L97-A99 VanDerWaalsContact C-N 3.3Å; L97-A99 PolarHBondContact O-N 3.13Å; L97-I100 PolarHBondContact O-N 2.89Å; L97-V101 WeakPolarHBondContact O-CG2 3.43Å; L97-V101 PolarHBondContact O-N 2.66Å
98	N	78.7	Confident	77.1	Confident	27 Å²	27	41 Å²	41	14%	0.144	22%	0.222	C	C	.	.	H	α-helix	trans	-62.9	-37.5	178.5	-162.5	48.5	0	0	0	112.7	I94 N95 A96 I100 G102 G105	I94-N98 VanDerWaalsContact O-CB 3.29Å; I94-N98 WeakPolarHBondContact O-CB 3.01Å; I94-N98 PolarHBondContact O-N 2.98Å; N95-N98 WeakPolarHBondContact O-CB 3.44Å; N95-N98 PolarHBondContact O-N 3.43Å; A96-N98 VanDerWaalsContact C-N 3.29Å; A96-N98 PolarHBondContact O-N 2.94Å; N98-I100 VanDerWaalsContact C-N 3.32Å; N98-I100 PolarHBondContact O-N 3.29Å; N98-G102 PolarHBondContact O-N 2.78Å; N98-G102 VanDerWaalsContact O-N 3.08Å; N98-G105 WeakPolarHBondContact OD1-CA 3.44Å
99	A	77.2	Confident	76.5	Confident	26 Å²	26	39.4 Å²	39.4	22%	0.215	22%	0.216	C	C	.	.	H	α-helix	trans	-63.4	-33.6	179.8	0	0	0	0	0	113.3	N95 A96 L97 Y283	N95-A99 PolarHBondContact O-N 3.41Å; A96-A99 PolarHBondContact O-N 3.44Å; L97-A99 VanDerWaalsContact C-N 3.3Å; L97-A99 PolarHBondContact O-N 3.13Å; A99-Y283 HydrophobicContact CB-CD1 4.24Å
100	I	67.2	Low	75.9	Confident	81 Å²	81	35.7 Å²	35.7	42%	0.415	21%	0.209	S	C	.	.	H	α-helix	trans	-84	-52.5	176.7	-68.8	-172.2	0	0	0	111.6	L97 N98 G102 V287	L97-I100 PolarHBondContact O-N 2.89Å; N98-I100 VanDerWaalsContact C-N 3.32Å; N98-I100 PolarHBondContact O-N 3.29Å; I100-G102 VanDerWaalsContact C-N 3.32Å; I100-G102 PolarHBondContact O-N 3.4Å; I100-V287 HydrophobicContact CD1-CB 3.76Å; I100-V287 HydrophobicContact CD1-CG1 3.6Å; I100-V287 HydrophobicContact CD1-CG2 3.19Å; I100-V287 HydrophobicContact CG1-CG2 3.56Å
101	V	62.5	Low	75.3	Confident	53 Å²	53	36.8 Å²	36.8	32%	0.321	22%	0.216	S	C	.	.	H	α-helix	trans	-79.9	-21.3	-165.1	-161.6	0	0	0	0	111.5	L97 F103 I107	L97-V101 WeakPolarHBondContact O-CG2 3.43Å; L97-V101 PolarHBondContact O-N 2.66Å; V101-F103 HydrophobicContact CG1-CD2 3.79Å; V101-F103 HydrophobicContact CG1-CE2 3.84Å; V101-F103 VanDerWaalsContact O-CD2 3.28Å; V101-F103 WeakPolarHBondContact O-CD2 3.49Å; V101-F103 PolarHBondContact O-N 3.19Å; V101-I107 HydrophobicContact CB-CD1 3.7Å; V101-I107 HydrophobicContact CG1-CD1 3.19Å; V101-I107 HydrophobicContact CG2-CD1 4.45Å
102	G	56.2	Low	75	Confident	25 Å²	25	37.1 Å²	37.1	26%	0.258	22%	0.218	S	C	.	.			trans	63.1	4.2	152.4	0	0	0	0	0	118.5	N98 I100 G104	N98-G102 PolarHBondContact O-N 2.78Å; N98-G102 VanDerWaalsContact O-N 3.08Å; I100-G102 VanDerWaalsContact C-N 3.32Å; I100-G102 PolarHBondContact O-N 3.4Å; G102-G104 PolarHBondContact O-N 2.87Å
103	F	58.4	Low	74.6	Confident	136 Å²	136	37.9 Å²	37.9	60%	0.596	23%	0.226	S	C	*	.	S	Bend	trans	-70	60.4	175.5	-70.1	-75.6	0	0	0	111.8	V101 G105 F106 I107	V101-F103 HydrophobicContact CG1-CD2 3.79Å; V101-F103 HydrophobicContact CG1-CE2 3.84Å; V101-F103 VanDerWaalsContact O-CD2 3.28Å; V101-F103 WeakPolarHBondContact O-CD2 3.49Å; V101-F103 PolarHBondContact O-N 3.19Å; F103-G105 PolarHBondContact O-N 3.3Å; F103-F106 WeakPolarHBondContact O-CB 3.07Å; F103-F106 WeakPolarHBondContact O-CD2 3.26Å; F103-F106 PolarHBondContact O-N 3.45Å; F103-I107 HydrophobicContact CD2-CD1 3.89Å
104	G	58.9	Low	74	Confident	58 Å²	58	40.2 Å²	40.2	60%	0.598	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.7	23.9	175.3	0	0	0	0	0	115.1	G102 L134	G102-G104 PolarHBondContact O-N 2.87Å; G104-L134 WeakPolarHBondContact O-CD1 3.38Å
105	G	66.1	Low	73.7	Confident	5 Å²	5	41 Å²	41	5%	0.052	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.2	0.5	-177.4	0	0	0	0	0	117.2	N98 F103 I107 G108 A109 L134	N98-G105 WeakPolarHBondContact OD1-CA 3.44Å; F103-G105 PolarHBondContact O-N 3.3Å; G105-I107 PolarHBondContact O-N 3.36Å; G105-G108 PolarHBondContact O-N 3.44Å; G105-A109 PolarHBondContact O-N 3.04Å; G105-L134 VanDerWaalsContact CA-CD1 3.42Å
106	F	67.9	Low	73.6	Confident	153 Å²	153	40.8 Å²	40.8	67%	0.671	24%	0.242	S	C	*	.	H	α-helix	trans	-60.7	-40.5	-176.7	-81.7	-69.7	0	0	0	113.8	F103 A109 G110	F103-F106 WeakPolarHBondContact O-CB 3.07Å; F103-F106 WeakPolarHBondContact O-CD2 3.26Å; F103-F106 PolarHBondContact O-N 3.45Å; F106-A109 PolarHBondContact O-N 2.93Å; F106-G110 PolarHBondContact O-N 3.05Å
107	I	66.3	Low	73.5	Confident	67 Å²	67	44.2 Å²	44.2	34%	0.344	26%	0.256	S	S	.	.	H	α-helix	trans	-65.9	-45	177.5	-68.6	171	0	0	0	109.9	V101 F103 G105 A109 G110 V111	V101-I107 HydrophobicContact CB-CD1 3.7Å; V101-I107 HydrophobicContact CG1-CD1 3.19Å; V101-I107 HydrophobicContact CG2-CD1 4.45Å; F103-I107 HydrophobicContact CD2-CD1 3.89Å; G105-I107 PolarHBondContact O-N 3.36Å; I107-A109 VanDerWaalsContact C-N 3.31Å; I107-A109 PolarHBondContact O-N 3.26Å; I107-G110 PolarHBondContact O-N 2.94Å; I107-V111 HydrophobicContact CG2-CG2 4.4Å; I107-V111 WeakPolarHBondContact O-CG2 3.31Å; I107-V111 PolarHBondContact O-N 3.06Å
108	G	75.9	Confident	73.7	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.01	27%	0.268	C	S	.	.	H	α-helix	trans	-58	-44.5	175.7	0	0	0	0	0	111.9	G105 G110 V111 R112	G105-G108 PolarHBondContact O-N 3.44Å; G108-G110 PolarHBondContact O-N 3.03Å; G108-V111 PolarHBondContact O-N 3.45Å; G108-R112 WeakPolarHBondContact O-CB 3.47Å; G108-R112 VanDerWaalsContact O-CG 3.27Å; G108-R112 WeakPolarHBondContact O-CG 3.48Å; G108-R112 PolarHBondContact O-N 2.76Å
109	A	79.9	Confident	74	Confident	18 Å²	18	48.2 Å²	48.2	15%	0.149	27%	0.274	C	S	.	.	H	α-helix	trans	-60.8	-43.4	175.8	0	0	0	0	0	112.8	G105 F106 I107 R112 A113 I130	G105-A109 PolarHBondContact O-N 3.04Å; F106-A109 PolarHBondContact O-N 2.93Å; I107-A109 VanDerWaalsContact C-N 3.31Å; I107-A109 PolarHBondContact O-N 3.26Å; A109-R112 PolarHBondContact O-N 3.03Å; A109-A113 WeakPolarHBondContact O-CB 3.41Å; A109-A113 PolarHBondContact O-N 3.18Å; A109-I130 HydrophobicContact CB-CG2 3.47Å; A109-I130 VanDerWaalsContact CB-CG2 3.47Å
110	G	77.4	Confident	74.4	Confident	24 Å²	24	47.8 Å²	47.8	25%	0.247	27%	0.269	C	S	.	.	H	α-helix	trans	-62.7	-47	177.2	0	0	0	0	0	112.8	F106 I107 G108 A113 M114	F106-G110 PolarHBondContact O-N 3.05Å; I107-G110 PolarHBondContact O-N 2.94Å; G108-G110 PolarHBondContact O-N 3.03Å; G110-A113 PolarHBondContact O-N 3.23Å; G110-M114 WeakPolarHBondContact O-CB 3.42Å; G110-M114 PolarHBondContact O-N 3.27Å
111	V	77.3	Confident	75.1	Confident	26 Å²	26	53.1 Å²	53.1	16%	0.158	29%	0.291	C	S	.	.	H	α-helix	trans	-65.8	-42.3	178.4	-177.6	0	0	0	0	110.8	I94 I107 G108 M114 V115	I94-V111 HydrophobicContact CD1-CB 4.35Å; I94-V111 HydrophobicContact CD1-CG1 3.88Å; I94-V111 HydrophobicContact CG1-CB 4.07Å; I94-V111 HydrophobicContact CG1-CG1 3.59Å; I107-V111 HydrophobicContact CG2-CG2 4.4Å; I107-V111 WeakPolarHBondContact O-CG2 3.31Å; I107-V111 PolarHBondContact O-N 3.06Å; G108-V111 PolarHBondContact O-N 3.45Å; V111-M114 PolarHBondContact O-N 3.19Å; V111-V115 HydrophobicContact CG1-CG2 4.19Å; V111-V115 WeakPolarHBondContact O-CG2 3.46Å; V111-V115 PolarHBondContact O-N 2.67Å
112	R	86.1	Confident	76.1	Confident	7 Å²	7	53.6 Å²	53.6	3%	0.026	29%	0.292	C	S	.	.	H	α-helix	trans	-56.4	-53.4	173.1	-76.1	-178.2	175	98.4	1.3	111.4	D71 I94 N95 G108 A109 M114 V115 Y116 I130	D71-R112 WeakPolarHBondContact OD1-CD 3.45Å; D71-R112 IonicContact OD1-CZ 3.84Å; D71-R112 IonicContact OD1-NE 2.78Å; D71-R112 PolarHBondContact OD1-NE 3.44Å; D71-R112 IonicContact OD1-NH2 2.85Å; D71-R112 IonicContact OD2-CZ 2.93Å; D71-R112 IonicContact OD2-NE 3.8Å; D71-R112 PolarHBondContact OD2-NE 3.23Å; D71-R112 IonicContact OD2-NH2 3.3Å; D71-R112 PolarHBondContact OD2-NH2 3.11Å; I94-R112 HydrophobicContact CD1-CB 4.45Å; I94-R112 HydrophobicContact CD1-CG 3.63Å; I94-R112 HydrophobicContact CG2-CG 3.97Å; N95-R112 PolarHBondContact ND2-NH2 2.79Å; N95-R112 PolarHBondContact OD1-NH2 2.9Å; G108-R112 WeakPolarHBondContact O-CB 3.47Å; G108-R112 VanDerWaalsContact O-CG 3.27Å; G108-R112 WeakPolarHBondContact O-CG 3.48Å; G108-R112 PolarHBondContact O-N 2.76Å; A109-R112 PolarHBondContact O-N 3.03Å; R112-M114 PolarHBondContact O-N 3.08Å; R112-V115 PolarHBondContact O-N 3.48Å; R112-Y116 HydrophobicContact CB-CD2 4.03Å; R112-Y116 HydrophobicContact CB-CE2 4.31Å; R112-Y116 HydrophobicContact CG-CD2 4.33Å; R112-Y116 HydrophobicContact CG-CE2 4.1Å; R112-Y116 VanDerWaalsContact O-CB 3.25Å; R112-Y116 WeakPolarHBondContact O-CB 3.33Å; R112-Y116 VanDerWaalsContact O-CD2 3.26Å; R112-Y116 WeakPolarHBondContact O-CD2 3.3Å; R112-Y116 PolarHBondContact O-N 3.25Å; R112-I130 HydrophobicContact CB-CD1 3.8Å; R112-I130 HydrophobicContact CB-CG1 4.13Å
113	A	83.5	Confident	77.4	Confident	29 Å²	29	58 Å²	58	24%	0.24	30%	0.304	C	S	.	.	H	α-helix	trans	-57.3	-40.3	-178.5	0	0	0	0	0	111	A109 G110 K117 I130	A109-A113 WeakPolarHBondContact O-CB 3.41Å; A109-A113 PolarHBondContact O-N 3.18Å; G110-A113 PolarHBondContact O-N 3.23Å; A113-K117 WeakPolarHBondContact O-CB 3.32Å; A113-K117 PolarHBondContact O-N 2.62Å; A113-K117 VanDerWaalsContact O-N 3.14Å; A113-I130 HydrophobicContact CB-CD1 3.74Å
114	M	75.4	Confident	78.7	Confident	51 Å²	51	59 Å²	59	25%	0.251	31%	0.308	S	S	.	.	H	α-helix	trans	-71.7	-44.9	-178.9	-174.7	156.6	177.2	0	0	113.5	G110 V111 R112 Q326 K327 I330	G110-M114 WeakPolarHBondContact O-CB 3.42Å; G110-M114 PolarHBondContact O-N 3.27Å; V111-M114 PolarHBondContact O-N 3.19Å; R112-M114 PolarHBondContact O-N 3.08Å; M114-Q326 HydrophobicContact SD-CB 4.26Å; M114-K327 HydrophobicContact CE-CG 3.94Å; M114-I330 HydrophobicContact CE-CD1 3.44Å; M114-I330 VanDerWaalsContact CE-CD1 3.44Å; M114-I330 HydrophobicContact CG-CD1 4.1Å; M114-I330 HydrophobicContact SD-CD1 3.17Å; M114-I330 WeakPolarHBondContact SD-CD1 3.2Å
115	V	80.4	Confident	80.1	Confident	19 Å²	19	59.3 Å²	59.3	12%	0.115	29%	0.293	C	S	.	.	H	α-helix	trans	-70.9	-47.2	-178.6	177.3	0	0	0	0	110.9	V90 V111 R112 Y119 F298	V90-V115 HydrophobicContact CG1-CB 4.33Å; V90-V115 HydrophobicContact CG1-CG1 3.86Å; V90-V115 HydrophobicContact CG1-CG2 4.38Å; V90-V115 HydrophobicContact CG2-CG1 4.35Å; V111-V115 HydrophobicContact CG1-CG2 4.19Å; V111-V115 WeakPolarHBondContact O-CG2 3.46Å; V111-V115 PolarHBondContact O-N 2.67Å; R112-V115 PolarHBondContact O-N 3.48Å; V115-Y119 WeakPolarHBondContact O-CD2 3.21Å; V115-F298 HydrophobicContact CG2-CE1 3.83Å; V115-F298 HydrophobicContact CG2-CZ 4.33Å
116	Y	86.8	Confident	81.1	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-78.9	-20.6	-172.8	-70.5	-48.7	0	0	0	113.8	D71 L74 M80 I82 R112 N118 Y119 T120	D71-Y116 HydrophobicContact CB-CE2 4.43Å; D71-Y116 WeakPolarHBondContact CB-OH 3.49Å; D71-Y116 VanDerWaalsContact OD1-CE2 3.23Å; D71-Y116 WeakPolarHBondContact OD1-CE2 3.36Å; D71-Y116 PolarHBondContact OD1-OH 3.48Å; L74-Y116 HydrophobicContact CD2-CD2 3.85Å; L74-Y116 HydrophobicContact CD2-CE2 4.16Å; L74-Y116 HydrophobicContact CD2-CG 4.47Å; M80-Y116 HydrophobicContact CE-CD1 3.47Å; M80-Y116 VanDerWaalsContact CE-CD1 3.47Å; M80-Y116 HydrophobicContact CE-CG 3.82Å; M80-Y116 VanDerWaalsContact CE-O 3.32Å; M80-Y116 WeakPolarHBondContact CE-O 3.43Å; M80-Y116 HydrophobicContact SD-CD1 4.38Å; I82-Y116 HydrophobicContact CD1-CD1 4.45Å; I82-Y116 HydrophobicContact CD1-CE1 4.09Å; R112-Y116 HydrophobicContact CB-CD2 4.03Å; R112-Y116 HydrophobicContact CB-CE2 4.31Å; R112-Y116 HydrophobicContact CG-CD2 4.33Å; R112-Y116 HydrophobicContact CG-CE2 4.1Å; R112-Y116 VanDerWaalsContact O-CB 3.25Å; R112-Y116 WeakPolarHBondContact O-CB 3.33Å; R112-Y116 VanDerWaalsContact O-CD2 3.26Å; R112-Y116 WeakPolarHBondContact O-CD2 3.3Å; R112-Y116 PolarHBondContact O-N 3.25Å; Y116-N118 PolarHBondContact O-N 2.66Å; Y116-N118 VanDerWaalsContact O-N 3.12Å; Y116-Y119 PolarHBondContact O-N 2.76Å; Y116-T120 PolarHBondContact O-N 2.83Å
117	K	84	Confident	82	Confident	72 Å²	72	55.7 Å²	55.7	31%	0.313	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-57	-26	174.1	170.6	177.4	-179.6	-174.3	0	113.7	A113 Y119 K123 L126	A113-K117 WeakPolarHBondContact O-CB 3.32Å; A113-K117 PolarHBondContact O-N 2.62Å; A113-K117 VanDerWaalsContact O-N 3.14Å; K117-Y119 VanDerWaalsContact C-N 3.28Å; K117-K123 HydrophobicContact CD-CD 4.44Å; K117-K123 HydrophobicContact CG-CD 4.23Å; K117-K123 HydrophobicContact CG-CG 4.18Å; K117-L126 HydrophobicContact CB-CD2 4.1Å
118	N	81.4	Confident	83	Confident	95 Å²	95	57.3 Å²	57.3	51%	0.508	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-80.3	-9.5	178.8	-64.4	-19.6	0	0	0	113.4	Y116	Y116-N118 PolarHBondContact O-N 2.66Å; Y116-N118 VanDerWaalsContact O-N 3.12Å
119	Y	85.6	Confident	83.6	Confident	67 Å²	67	57.3 Å²	57.3	26%	0.263	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-118.7	8.8	-173.9	-65.9	-77.5	0	0	0	112.6	M80 D81 I82 K86 V115 Y116 K117	M80-Y119 WeakPolarHBondContact CA-O 3.22Å; M80-Y119 WeakPolarHBondContact CB-O 3.32Å; M80-Y119 HydrophobicContact CE-CG 4.42Å; D81-Y119 VanDerWaalsContact O-CD1 3.25Å; D81-Y119 WeakPolarHBondContact O-CD1 3.42Å; I82-Y119 HydrophobicContact CB-CD1 3.97Å; I82-Y119 HydrophobicContact CB-CE1 4.26Å; I82-Y119 HydrophobicContact CB-CG 4.2Å; I82-Y119 HydrophobicContact CD1-CD2 4.04Å; I82-Y119 HydrophobicContact CD1-CE1 4.48Å; I82-Y119 HydrophobicContact CD1-CE2 3.9Å; I82-Y119 HydrophobicContact CD1-CG 4.39Å; I82-Y119 HydrophobicContact CG1-CD1 4.46Å; I82-Y119 HydrophobicContact CG1-CE1 4.32Å; K86-Y119 PolarHBondContact NZ-OH 2.65Å; V115-Y119 WeakPolarHBondContact O-CD2 3.21Å; Y116-Y119 PolarHBondContact O-N 2.76Å; K117-Y119 VanDerWaalsContact C-N 3.28Å
120	T	84.8	Confident	84	Confident	17 Å²	17	57 Å²	57	10%	0.104	28%	0.283	C	S	.	.			trans	-142.4	142	177.6	-171.1	0	0	0	0	110.9	Y116 D122 L126	Y116-T120 PolarHBondContact O-N 2.83Å; T120-D122 PolarHBondContact OG1-N 2.92Å; T120-L126 HydrophobicContact CG2-CB 4.18Å; T120-L126 HydrophobicContact CG2-CD2 4.01Å
121	H	81.4	Confident	84.5	Confident	193 Å²	193	58.5 Å²	58.5	89%	0.894	29%	0.29	S	S	*	.	S	Bend	trans	-79.1	-27.3	174.4	-63.5	-70.2	0	0	0	112.1	K123	H121-K123 PolarHBondContact O-N 3.05Å
122	D	84.7	Confident	85.1	Confident	62 Å²	62	57.9 Å²	57.9	33%	0.332	29%	0.286	S	S	.	.			trans	-99	81.3	-175.2	-163.7	-25.4	0	0	0	112.5	T120 K124 K125 L126	T120-D122 PolarHBondContact OG1-N 2.92Å; D122-K124 PolarHBondContact O-N 3.25Å; D122-K124 PolarHBondContact OD1-N 2.86Å; D122-K125 HydrophobicContact CB-CB 4.17Å; D122-K125 HydrophobicContact CB-CD 4.32Å; D122-K125 HydrophobicContact CB-CG 4.4Å; D122-K125 VanDerWaalsContact CG-CG 3.48Å; D122-K125 PolarHBondContact O-N 2.74Å; D122-K125 PolarHBondContact OD1-N 3.06Å; D122-K125 WeakPolarHBondContact OD2-CD 3.35Å; D122-K125 WeakPolarHBondContact OD2-CE 3.44Å; D122-K125 WeakPolarHBondContact OD2-CG 3.45Å; D122-L126 PolarHBondContact O-N 2.68Å; D122-L126 VanDerWaalsContact O-N 3.09Å
123	K	84.2	Confident	85.2	Confident	118 Å²	118	57.8 Å²	57.8	51%	0.513	29%	0.286	S	S	.	.	H	α-helix	trans	-61.2	-29.4	179.6	-62.5	171.9	-178.8	163.6	0	112.7	K117 H121 V127	K117-K123 HydrophobicContact CD-CD 4.44Å; K117-K123 HydrophobicContact CG-CD 4.23Å; K117-K123 HydrophobicContact CG-CG 4.18Å; H121-K123 PolarHBondContact O-N 3.05Å; K123-V127 WeakPolarHBondContact O-CG2 3.4Å; K123-V127 PolarHBondContact O-N 3.11Å
124	K	84.9	Confident	85.3	Confident	157 Å²	157	58.5 Å²	58.5	68%	0.683	29%	0.286	S	S	*	.	H	α-helix	trans	-73.5	-45.2	-178.6	-172.6	178.5	178.9	-178.1	0	110.3	D122 L126 V127 H128	D122-K124 PolarHBondContact O-N 3.25Å; D122-K124 PolarHBondContact OD1-N 2.86Å; K124-L126 VanDerWaalsContact C-N 3.33Å; K124-V127 PolarHBondContact O-N 3.27Å; K124-H128 PolarHBondContact O-N 2.8Å; K124-H128 PolarHBondContact O-ND1 2.67Å
125	K	87.4	Confident	85.8	Confident	65 Å²	65	59.6 Å²	59.6	28%	0.283	29%	0.292	S	S	.	.	H	α-helix	trans	-61.3	-41.9	173.1	-76.6	-174.8	-171.5	-176.1	0	111.7	L78 D122 V127 H128 F129 D189	L78-K125 HydrophobicContact CD2-CB 3.81Å; L78-K125 HydrophobicContact CD2-CD 4.47Å; D122-K125 HydrophobicContact CB-CB 4.17Å; D122-K125 HydrophobicContact CB-CD 4.32Å; D122-K125 HydrophobicContact CB-CG 4.4Å; D122-K125 VanDerWaalsContact CG-CG 3.48Å; D122-K125 PolarHBondContact O-N 2.74Å; D122-K125 PolarHBondContact OD1-N 3.06Å; D122-K125 WeakPolarHBondContact OD2-CD 3.35Å; D122-K125 WeakPolarHBondContact OD2-CE 3.44Å; D122-K125 WeakPolarHBondContact OD2-CG 3.45Å; K125-V127 VanDerWaalsContact C-N 3.33Å; K125-V127 PolarHBondContact O-N 3.04Å; K125-H128 PolarHBondContact O-N 3.35Å; K125-H128 VanDerWaalsContact O-N 3.08Å; K125-F129 HydrophobicContact CB-CD2 4.36Å; K125-F129 HydrophobicContact CB-CE2 4.41Å; K125-F129 VanDerWaalsContact O-CD2 3.28Å; K125-F129 WeakPolarHBondContact O-CD2 3.38Å; K125-F129 PolarHBondContact O-N 3.18Å; K125-D189 IonicContact NZ-OD1 2.66Å; K125-D189 IonicContact NZ-OD2 3.97Å; K125-D189 PolarHBondContact NZ-OD2 3.09Å
126	L	87.7	Confident	86.3	Confident	3 Å²	3	58.7 Å²	58.7	2%	0.016	29%	0.286	C	S	.	.	H	α-helix	trans	-52.2	-50	176.8	177.9	63.5	0	0	0	112.2	L74 L78 K117 T120 D122 K124 H128 F129 I130	L74-L126 HydrophobicContact CD1-CD1 4.27Å; L74-L126 HydrophobicContact CD2-CD1 4.16Å; L78-L126 HydrophobicContact CD1-CB 4.16Å; L78-L126 HydrophobicContact CD1-CD1 3.72Å; K117-L126 HydrophobicContact CB-CD2 4.1Å; T120-L126 HydrophobicContact CG2-CB 4.18Å; T120-L126 HydrophobicContact CG2-CD2 4.01Å; D122-L126 PolarHBondContact O-N 2.68Å; D122-L126 VanDerWaalsContact O-N 3.09Å; K124-L126 VanDerWaalsContact C-N 3.33Å; L126-H128 VanDerWaalsContact C-N 3.34Å; L126-H128 PolarHBondContact O-N 3.12Å; L126-F129 PolarHBondContact O-N 2.98Å; L126-I130 HydrophobicContact CD1-CD1 3.88Å; L126-I130 HydrophobicContact CD1-CG1 4.29Å; L126-I130 HydrophobicContact CG-CD1 3.84Å; L126-I130 VanDerWaalsContact O-CG1 3.27Å; L126-I130 WeakPolarHBondContact O-CG1 3.39Å; L126-I130 PolarHBondContact O-N 3.42Å
127	V	86.8	Confident	86.2	Confident	79 Å²	79	59.8 Å²	59.8	48%	0.479	29%	0.292	S	S	.	.	H	α-helix	trans	-63.1	-40.7	178.5	175.9	0	0	0	0	111.5	K123 K124 K125 I130 S131	K123-V127 WeakPolarHBondContact O-CG2 3.4Å; K123-V127 PolarHBondContact O-N 3.11Å; K124-V127 PolarHBondContact O-N 3.27Å; K125-V127 VanDerWaalsContact C-N 3.33Å; K125-V127 PolarHBondContact O-N 3.04Å; V127-I130 PolarHBondContact O-N 2.88Å; V127-S131 PolarHBondContact O-N 3.02Å; V127-S131 PolarHBondContact O-OG 3.21Å; V127-S131 VanDerWaalsContact O-OG 3.11Å
128	H	86.9	Confident	86.4	Confident	100 Å²	100	59.3 Å²	59.3	46%	0.463	29%	0.292	S	S	.	.	H	α-helix	trans	-63.5	-42.4	177.3	-75.7	69.4	0	0	0	112.3	K124 K125 L126 S131 L132 P188	K124-H128 PolarHBondContact O-N 2.8Å; K124-H128 PolarHBondContact O-ND1 2.67Å; K125-H128 PolarHBondContact O-N 3.35Å; K125-H128 VanDerWaalsContact O-N 3.08Å; L126-H128 VanDerWaalsContact C-N 3.34Å; L126-H128 PolarHBondContact O-N 3.12Å; H128-S131 PolarHBondContact O-N 3.17Å; H128-L132 PolarHBondContact O-N 3.29Å; H128-P188 HydrophobicContact CB-CB 4.1Å
129	F	89.5	Confident	86.8	Confident	1 Å²	1	54.8 Å²	54.8	0%	0.004	27%	0.268	C	S	.	.	H	α-helix	trans	-66.4	-39.9	175.9	-83	-74.1	0	0	0	112.4	L74 A77 L78 K125 L126 S131 L132 I133 P188 D189 V195	L74-F129 HydrophobicContact CD1-CB 3.34Å; L74-F129 HydrophobicContact CD1-CG 4.01Å; A77-F129 HydrophobicContact CB-CE1 3.97Å; A77-F129 HydrophobicContact CB-CZ 3.95Å; L78-F129 HydrophobicContact CD1-CD2 4.27Å; L78-F129 HydrophobicContact CD2-CD2 3.72Å; L78-F129 HydrophobicContact CD2-CE2 3.69Å; L78-F129 HydrophobicContact CG-CD2 4Å; L78-F129 HydrophobicContact CG-CE2 4.18Å; K125-F129 HydrophobicContact CB-CD2 4.36Å; K125-F129 HydrophobicContact CB-CE2 4.41Å; K125-F129 VanDerWaalsContact O-CD2 3.28Å; K125-F129 WeakPolarHBondContact O-CD2 3.38Å; K125-F129 PolarHBondContact O-N 3.18Å; L126-F129 PolarHBondContact O-N 2.98Å; F129-S131 VanDerWaalsContact C-N 3.32Å; F129-S131 PolarHBondContact O-N 3.12Å; F129-L132 WeakPolarHBondContact O-CB 3.49Å; F129-L132 PolarHBondContact O-N 2.98Å; F129-I133 WeakPolarHBondContact O-CG1 2.83Å; F129-I133 PolarHBondContact O-N 3Å; F129-P188 HydrophobicContact CD1-CB 4.11Å; F129-P188 HydrophobicContact CD1-CG 4.14Å; F129-P188 HydrophobicContact CD2-CB 4.1Å; F129-P188 HydrophobicContact CE1-CB 3.97Å; F129-P188 HydrophobicContact CE1-CG 4.16Å; F129-P188 HydrophobicContact CE2-CB 3.97Å; F129-P188 HydrophobicContact CG-CB 4.16Å; F129-P188 HydrophobicContact CZ-CB 3.91Å; F129-D189 HydrophobicContact CE2-CB 4.23Å; F129-D189 HydrophobicContact CZ-CB 3.91Å; F129-V195 HydrophobicContact CD1-CG1 3.98Å; F129-V195 HydrophobicContact CE1-CB 4.1Å; F129-V195 HydrophobicContact CE1-CG1 3.82Å; F129-V195 HydrophobicContact CE1-CG2 4.01Å
130	I	88.6	Confident	87	Confident	11 Å²	11	51.6 Å²	51.6	6%	0.056	26%	0.256	C	S	.	.	H	α-helix	trans	-61.3	-43.4	175.4	-70	167.6	0	0	0	110.6	L74 A109 R112 A113 L126 V127 L132 I133 L134	L74-I130 HydrophobicContact CD2-CG1 4.47Å; A109-I130 HydrophobicContact CB-CG2 3.47Å; A109-I130 VanDerWaalsContact CB-CG2 3.47Å; R112-I130 HydrophobicContact CB-CD1 3.8Å; R112-I130 HydrophobicContact CB-CG1 4.13Å; A113-I130 HydrophobicContact CB-CD1 3.74Å; L126-I130 HydrophobicContact CD1-CD1 3.88Å; L126-I130 HydrophobicContact CD1-CG1 4.29Å; L126-I130 HydrophobicContact CG-CD1 3.84Å; L126-I130 VanDerWaalsContact O-CG1 3.27Å; L126-I130 WeakPolarHBondContact O-CG1 3.39Å; L126-I130 PolarHBondContact O-N 3.42Å; V127-I130 PolarHBondContact O-N 2.88Å; I130-L132 VanDerWaalsContact C-N 3.33Å; I130-L132 PolarHBondContact O-N 2.86Å; I130-I133 PolarHBondContact O-N 3.15Å; I130-L134 PolarHBondContact O-N 3.45Å
131	S	87.9	Confident	87.3	Confident	57 Å²	57	50.9 Å²	50.9	40%	0.399	25%	0.251	S	S	.	.	H	α-helix	trans	-61.7	-40.4	174.4	-62.2	0	0	0	0	112.1	V127 H128 F129 L134 I135	V127-S131 PolarHBondContact O-N 3.02Å; V127-S131 PolarHBondContact O-OG 3.21Å; V127-S131 VanDerWaalsContact O-OG 3.11Å; H128-S131 PolarHBondContact O-N 3.17Å; F129-S131 VanDerWaalsContact C-N 3.32Å; F129-S131 PolarHBondContact O-N 3.12Å; S131-L134 WeakPolarHBondContact O-CB 3.19Å; S131-L134 PolarHBondContact O-N 2.87Å; S131-I135 VanDerWaalsContact O-CG1 3.29Å; S131-I135 WeakPolarHBondContact O-CG1 2.85Å; S131-I135 PolarHBondContact O-N 3.36Å; S131-I135 VanDerWaalsContact O-N 3.15Å
132	L	88.9	Confident	87.8	Confident	12 Å²	12	41.7 Å²	41.7	6%	0.063	21%	0.208	C	C	.	.	H	α-helix	trans	-62	-45.5	175.2	-175.7	73.7	0	0	0	111.3	H128 F129 I130 L134 I135 S136 F179 P188 V195	H128-L132 PolarHBondContact O-N 3.29Å; F129-L132 WeakPolarHBondContact O-CB 3.49Å; F129-L132 PolarHBondContact O-N 2.98Å; I130-L132 VanDerWaalsContact C-N 3.33Å; I130-L132 PolarHBondContact O-N 2.86Å; L132-L134 VanDerWaalsContact C-N 3.34Å; L132-L134 PolarHBondContact O-N 2.81Å; L132-I135 PolarHBondContact O-N 2.93Å; L132-S136 VanDerWaalsContact O-CB 3.25Å; L132-S136 WeakPolarHBondContact O-CB 2.78Å; L132-S136 PolarHBondContact O-N 2.92Å; L132-S136 PolarHBondContact O-OG 3.39Å; L132-F179 HydrophobicContact CD1-CE2 3.88Å; L132-F179 HydrophobicContact CD1-CZ 3.72Å; L132-F179 HydrophobicContact CG-CZ 4.36Å; L132-P188 HydrophobicContact CB-CG 4.27Å; L132-P188 HydrophobicContact CD2-CG 3.8Å; L132-V195 HydrophobicContact CD2-CB 4.39Å; L132-V195 HydrophobicContact CD2-CG1 3.88Å
133	I	88.1	Confident	88.1	Confident	5 Å²	5	41.4 Å²	41.4	3%	0.026	21%	0.206	C	C	.	.	H	α-helix	trans	-57.9	-48.3	176.9	-71.1	166.7	0	0	0	110.2	Y70 L74 F129 I130 I135 S136 M137	Y70-I133 HydrophobicContact CD1-CG1 4.4Å; Y70-I133 HydrophobicContact CD1-CG2 3.89Å; Y70-I133 HydrophobicContact CG-CG2 4.01Å; L74-I133 HydrophobicContact CB-CD1 4.08Å; L74-I133 HydrophobicContact CD1-CD1 4.28Å; L74-I133 HydrophobicContact CD2-CD1 4.32Å; L74-I133 HydrophobicContact CG-CD1 4.48Å; F129-I133 WeakPolarHBondContact O-CG1 2.83Å; F129-I133 PolarHBondContact O-N 3Å; I130-I133 PolarHBondContact O-N 3.15Å; I133-I135 VanDerWaalsContact C-N 3.32Å; I133-I135 PolarHBondContact O-N 2.81Å; I133-S136 WeakPolarHBondContact CA-OG 3.39Å; I133-S136 PolarHBondContact O-N 3.31Å; I133-S136 VanDerWaalsContact O-N 3.12Å; I133-S136 PolarHBondContact O-OG 2.89Å; I133-M137 HydrophobicContact CG2-CE 3.82Å; I133-M137 WeakPolarHBondContact O-CG 3.44Å; I133-M137 PolarHBondContact O-N 2.76Å; I133-M137 VanDerWaalsContact O-N 3.15Å
134	L	85.9	Confident	88.3	Confident	45 Å²	45	36 Å²	36	24%	0.236	18%	0.183	C	C	.	.	H	α-helix	trans	-54.9	-47.4	-179.9	-169.9	68.4	0	0	0	112.5	G104 G105 I130 S131 L132	G104-L134 WeakPolarHBondContact O-CD1 3.38Å; G105-L134 VanDerWaalsContact CA-CD1 3.42Å; I130-L134 PolarHBondContact O-N 3.45Å; S131-L134 WeakPolarHBondContact O-CB 3.19Å; S131-L134 PolarHBondContact O-N 2.87Å; L132-L134 VanDerWaalsContact C-N 3.34Å; L132-L134 PolarHBondContact O-N 2.81Å
135	I	86.9	Confident	88.5	Confident	74 Å²	74	28.5 Å²	28.5	38%	0.379	15%	0.15	S	C	.	.	H	α-helix	trans	-71.5	-36.9	-179.6	-62.7	169.3	0	0	0	110.2	S131 L132 I133 M137 L138 F175 F179	S131-I135 VanDerWaalsContact O-CG1 3.29Å; S131-I135 WeakPolarHBondContact O-CG1 2.85Å; S131-I135 PolarHBondContact O-N 3.36Å; S131-I135 VanDerWaalsContact O-N 3.15Å; L132-I135 PolarHBondContact O-N 2.93Å; I133-I135 VanDerWaalsContact C-N 3.32Å; I133-I135 PolarHBondContact O-N 2.81Å; I135-M137 VanDerWaalsContact C-N 3.29Å; I135-M137 PolarHBondContact O-N 3.29Å; I135-L138 PolarHBondContact O-N 2.92Å; I135-F175 HydrophobicContact CG2-CE2 4.38Å; I135-F175 HydrophobicContact CG2-CZ 3.64Å; I135-F179 HydrophobicContact CB-CD2 4.48Å; I135-F179 HydrophobicContact CB-CE2 4.04Å; I135-F179 HydrophobicContact CG2-CD2 3.54Å; I135-F179 HydrophobicContact CG2-CE2 3.59Å
136	S	89	Confident	88.6	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-66.9	-25.1	-178.5	73.9	0	0	0	0	114.3	L132 I133 L138 T139 C199 S203	L132-S136 VanDerWaalsContact O-CB 3.25Å; L132-S136 WeakPolarHBondContact O-CB 2.78Å; L132-S136 PolarHBondContact O-N 2.92Å; L132-S136 PolarHBondContact O-OG 3.39Å; I133-S136 WeakPolarHBondContact CA-OG 3.39Å; I133-S136 PolarHBondContact O-N 3.31Å; I133-S136 VanDerWaalsContact O-N 3.12Å; I133-S136 PolarHBondContact O-OG 2.89Å; S136-L138 PolarHBondContact O-N 2.97Å; S136-L138 VanDerWaalsContact O-N 3.1Å; S136-T139 WeakPolarHBondContact O-CB 3.07Å; S136-T139 WeakPolarHBondContact O-CG2 3.27Å; S136-T139 PolarHBondContact O-N 3.44Å; S136-T139 PolarHBondContact O-OG1 3.38Å; S136-C199 WeakPolarHBondContact OG-CB 3.19Å; S136-S203 WeakPolarHBondContact O-CB 3.21Å; S136-S203 PolarHBondContact O-OG 2.89Å
137	M	86.1	Confident	88.7	Confident	23 Å²	23	29.6 Å²	29.6	11%	0.113	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-20	179.1	-74.4	169.1	166.6	0	0	113.3	L67 Y70 I133 I135 S203 W207	L67-M137 HydrophobicContact CD2-CE 4.21Å; Y70-M137 HydrophobicContact CD2-CE 3.97Å; Y70-M137 HydrophobicContact CE2-CE 4.05Å; Y70-M137 HydrophobicContact CE2-CG 4.09Å; Y70-M137 HydrophobicContact CG-CE 4.49Å; I133-M137 HydrophobicContact CG2-CE 3.82Å; I133-M137 WeakPolarHBondContact O-CG 3.44Å; I133-M137 PolarHBondContact O-N 2.76Å; I133-M137 VanDerWaalsContact O-N 3.15Å; I135-M137 VanDerWaalsContact C-N 3.29Å; I135-M137 PolarHBondContact O-N 3.29Å; M137-S203 PolarHBondContact O-OG 3.49Å; M137-W207 PolarHBondContact O-NE1 3.16Å; M137-W207 VanDerWaalsContact O-NE1 3.16Å
138	L	86.8	Confident	88.7	Confident	62 Å²	62	26.1 Å²	26.1	33%	0.325	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-18.2	176	-61.8	176.3	0	0	0	113.3	I135 S136 G140 L141 S142 F175 L242	I135-L138 PolarHBondContact O-N 2.92Å; S136-L138 PolarHBondContact O-N 2.97Å; S136-L138 VanDerWaalsContact O-N 3.1Å; L138-G140 PolarHBondContact O-N 3.04Å; L138-L141 PolarHBondContact O-N 2.84Å; L138-S142 PolarHBondContact O-N 3.16Å; L138-S142 VanDerWaalsContact O-N 3.14Å; L138-S142 PolarHBondContact O-OG 2.79Å; L138-F175 HydrophobicContact CB-CD1 4.35Å; L138-F175 HydrophobicContact CB-CE1 3.77Å; L138-F175 HydrophobicContact CB-CZ 4.37Å; L138-F175 HydrophobicContact CD1-CZ 4.38Å; L138-L242 HydrophobicContact CD2-CD1 3.58Å; L138-L242 HydrophobicContact CD2-CD2 4Å; L138-L242 HydrophobicContact CD2-CG 4.46Å
139	T	91.6	Very high	88.7	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-72.8	-28.1	-168.9	62.5	0	0	0	0	113.6	S136 S142 L143 F175 L176 F179 T200	S136-T139 WeakPolarHBondContact O-CB 3.07Å; S136-T139 WeakPolarHBondContact O-CG2 3.27Å; S136-T139 PolarHBondContact O-N 3.44Å; S136-T139 PolarHBondContact O-OG1 3.38Å; T139-S142 WeakPolarHBondContact O-CB 2.92Å; T139-S142 PolarHBondContact O-N 3.33Å; T139-L143 PolarHBondContact O-N 3.47Å; T139-F175 HydrophobicContact CG2-CD1 4.32Å; T139-F175 HydrophobicContact CG2-CE1 3.83Å; T139-L176 HydrophobicContact CG2-CD1 4.43Å; T139-F179 HydrophobicContact CG2-CB 4.06Å; T139-F179 HydrophobicContact CG2-CD1 3.41Å; T139-F179 VanDerWaalsContact CG2-CD1 3.41Å; T139-F179 HydrophobicContact CG2-CD2 4.25Å; T139-F179 HydrophobicContact CG2-CE1 3.86Å; T139-F179 HydrophobicContact CG2-CG 3.62Å; T139-F179 HydrophobicContact CG2-CZ 4.45Å; T139-T200 WeakPolarHBondContact OG1-CA 3.4Å; T139-T200 PolarHBondContact OG1-OG1 2.85Å
140	G	89.9	Confident	88.6	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-65.1	-43.3	174	0	0	0	0	0	111.5	L138 S142 L143 L144 S203	L138-G140 PolarHBondContact O-N 3.04Å; G140-S142 VanDerWaalsContact C-N 3.32Å; G140-S142 PolarHBondContact O-N 2.86Å; G140-L143 PolarHBondContact O-N 3.32Å; G140-L144 WeakPolarHBondContact O-CG 3.46Å; G140-L144 PolarHBondContact O-N 3.29Å; G140-S203 WeakPolarHBondContact CA-OG 3.25Å; G140-S203 PolarHBondContact N-OG 3.34Å
141	L	89.6	Confident	88.3	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-64.7	-37.4	173.9	-171.6	62.2	0	0	0	111.6	L138 L144 S145 W207 I235 A238 L239 L242	L138-L141 PolarHBondContact O-N 2.84Å; L141-L144 PolarHBondContact O-N 3.29Å; L141-S145 VanDerWaalsContact O-CB 3.32Å; L141-S145 WeakPolarHBondContact O-CB 3.08Å; L141-S145 PolarHBondContact O-N 3.41Å; L141-S145 PolarHBondContact O-OG 3.08Å; L141-W207 HydrophobicContact CB-CD2 4.11Å; L141-W207 HydrophobicContact CB-CG 4.39Å; L141-W207 HydrophobicContact CB-CZ2 4.07Å; L141-W207 HydrophobicContact CD1-CD2 4.34Å; L141-W207 HydrophobicContact CD1-CE3 4.22Å; L141-W207 HydrophobicContact CD1-CZ3 4.36Å; L141-W207 HydrophobicContact CD2-CH2 4.12Å; L141-W207 HydrophobicContact CD2-CZ2 4.06Å; L141-W207 VanDerWaalsContact N-CD1 3.33Å; L141-I235 HydrophobicContact CD1-CG2 4.17Å; L141-A238 HydrophobicContact CD1-CB 3.72Å; L141-A238 HydrophobicContact CD2-CB 4.23Å; L141-L239 HydrophobicContact CD2-CD2 3.8Å; L141-L239 HydrophobicContact CD2-CG 4.29Å; L141-L239 HydrophobicContact CG-CD2 4Å; L141-L239 HydrophobicContact CG-CG 4.43Å; L141-L242 HydrophobicContact CD2-CD2 4.19Å
142	S	92	Very high	88.1	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-61.1	-41.6	172.3	-61.5	0	0	0	0	113.1	L138 T139 G140 S145 L146 V172 F175	L138-S142 PolarHBondContact O-N 3.16Å; L138-S142 VanDerWaalsContact O-N 3.14Å; L138-S142 PolarHBondContact O-OG 2.79Å; T139-S142 WeakPolarHBondContact O-CB 2.92Å; T139-S142 PolarHBondContact O-N 3.33Å; G140-S142 VanDerWaalsContact C-N 3.32Å; G140-S142 PolarHBondContact O-N 2.86Å; S142-S145 PolarHBondContact O-N 3.24Å; S142-L146 WeakPolarHBondContact O-CG 3.46Å; S142-L146 PolarHBondContact O-N 2.65Å; S142-V172 WeakPolarHBondContact CB-O 3.32Å; S142-V172 PolarHBondContact OG-O 2.96Å; S142-F175 WeakPolarHBondContact OG-CD1 3.46Å
143	L	90.8	Very high	87.7	Confident	56 Å²	56	39.1 Å²	39.1	29%	0.293	20%	0.197	S	C	.	.	H	α-helix	trans	-65.4	-45.7	175.9	179.6	64	0	0	0	111.6	T139 G140 S145 L146 L147 L176 C204	T139-L143 PolarHBondContact O-N 3.47Å; G140-L143 PolarHBondContact O-N 3.32Å; L143-S145 VanDerWaalsContact C-N 3.27Å; L143-S145 PolarHBondContact O-N 3.17Å; L143-L146 WeakPolarHBondContact O-CB 3.43Å; L143-L146 PolarHBondContact O-N 3.13Å; L143-L147 PolarHBondContact O-N 3.38Å; L143-L176 HydrophobicContact CB-CD2 3.94Å; L143-L176 HydrophobicContact CD1-CD2 3.77Å; L143-L176 HydrophobicContact CG-CD2 4.44Å; L143-C204 HydrophobicContact CD2-CB 3.96Å; L143-C204 VanDerWaalsContact CD2-SG 3.6Å
144	L	89.4	Confident	87.2	Confident	4 Å²	4	43.8 Å²	43.8	2%	0.021	22%	0.222	C	C	.	.	H	α-helix	trans	-62.5	-36.6	175.8	-68.6	179.2	0	0	0	112	G140 L141 L147 I148 W207 L208 I235	G140-L144 WeakPolarHBondContact O-CG 3.46Å; G140-L144 PolarHBondContact O-N 3.29Å; L141-L144 PolarHBondContact O-N 3.29Å; L144-L147 HydrophobicContact CD2-CD1 4.32Å; L144-L147 WeakPolarHBondContact O-CB 3.24Å; L144-L147 PolarHBondContact O-N 2.77Å; L144-I148 PolarHBondContact O-N 2.8Å; L144-W207 HydrophobicContact CD1-CB 3.58Å; L144-L208 HydrophobicContact CD2-CD2 3.85Å; L144-L208 HydrophobicContact CD2-CG 4.24Å; L144-I235 HydrophobicContact CB-CD1 3.72Å; L144-I235 HydrophobicContact CB-CG1 3.9Å; L144-I235 HydrophobicContact CD1-CG1 4.28Å
145	S	89.6	Confident	86.7	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-65.1	-39.8	174.9	-58.5	0	0	0	0	111.9	L141 S142 L143 L147 I148 V149 S173	L141-S145 VanDerWaalsContact O-CB 3.32Å; L141-S145 WeakPolarHBondContact O-CB 3.08Å; L141-S145 PolarHBondContact O-N 3.41Å; L141-S145 PolarHBondContact O-OG 3.08Å; S142-S145 PolarHBondContact O-N 3.24Å; L143-S145 VanDerWaalsContact C-N 3.27Å; L143-S145 PolarHBondContact O-N 3.17Å; S145-L147 VanDerWaalsContact C-N 3.27Å; S145-L147 PolarHBondContact O-N 3.17Å; S145-I148 WeakPolarHBondContact O-CB 3.39Å; S145-I148 PolarHBondContact O-N 3.17Å; S145-I148 VanDerWaalsContact O-N 3.09Å; S145-V149 PolarHBondContact O-N 2.71Å; S145-S173 VanDerWaalsContact C-OG 3.25Å; S145-S173 WeakPolarHBondContact CB-OG 3.45Å
146	L	89.4	Confident	86.1	Confident	36 Å²	36	40.6 Å²	40.6	19%	0.188	21%	0.211	C	C	.	.	H	α-helix	trans	-59.7	-38	174.1	-79.9	164.1	0	0	0	111.9	S142 L143 I148 V149 F150 S173 L176	S142-L146 WeakPolarHBondContact O-CG 3.46Å; S142-L146 PolarHBondContact O-N 2.65Å; L143-L146 WeakPolarHBondContact O-CB 3.43Å; L143-L146 PolarHBondContact O-N 3.13Å; L146-I148 VanDerWaalsContact C-N 3.25Å; L146-I148 PolarHBondContact O-N 3.43Å; L146-V149 WeakPolarHBondContact O-CB 3.48Å; L146-V149 PolarHBondContact O-N 3.07Å; L146-V149 VanDerWaalsContact O-N 3.12Å; L146-F150 HydrophobicContact CB-CD2 4.36Å; L146-F150 HydrophobicContact CB-CE2 4.37Å; L146-F150 HydrophobicContact CD2-CE2 3.95Å; L146-F150 WeakPolarHBondContact O-CD2 3.31Å; L146-F150 PolarHBondContact O-N 2.96Å; L146-S173 PolarHBondContact N-OG 3.03Å; L146-L176 HydrophobicContact CD1-CB 4.09Å; L146-L176 HydrophobicContact CD1-CD2 3.52Å; L146-L176 HydrophobicContact CD1-CG 4.39Å
147	L	89	Confident	85.2	Confident	55 Å²	55	45.8 Å²	45.8	29%	0.288	24%	0.238	S	C	.	.	H	α-helix	trans	-63.8	-31.5	176.7	-64.5	175.2	0	0	0	112.3	L143 L144 S145 H151 V152 F153	L143-L147 PolarHBondContact O-N 3.38Å; L144-L147 HydrophobicContact CD2-CD1 4.32Å; L144-L147 WeakPolarHBondContact O-CB 3.24Å; L144-L147 PolarHBondContact O-N 2.77Å; S145-L147 VanDerWaalsContact C-N 3.27Å; S145-L147 PolarHBondContact O-N 3.17Å; L147-H151 PolarHBondContact O-N 3Å; L147-V152 HydrophobicContact CB-CB 4.18Å; L147-V152 HydrophobicContact CD2-CB 4.33Å; L147-V152 HydrophobicContact CD2-CG1 4.44Å; L147-V152 HydrophobicContact CD2-CG2 4.06Å; L147-V152 VanDerWaalsContact O-CB 3.29Å; L147-V152 WeakPolarHBondContact O-CB 3.39Å; L147-V152 PolarHBondContact O-N 2.64Å; L147-F153 HydrophobicContact CB-CD2 3.68Å; L147-F153 HydrophobicContact CB-CE2 3.64Å; L147-F153 HydrophobicContact CD1-CE2 3.62Å; L147-F153 HydrophobicContact CD1-CZ 4.24Å; L147-F153 HydrophobicContact CG-CE2 4.28Å; L147-F153 PolarHBondContact O-N 3.08Å
148	I	86.8	Confident	84.6	Confident	6 Å²	6	45.5 Å²	45.5	3%	0.031	24%	0.237	C	C	.	.	H	α-helix	trans	-70.6	-43.9	170.7	-61.7	175.7	0	0	0	110.7	L144 S145 L146 F150 H151 F153 A155 L159 L169 I235	L144-I148 PolarHBondContact O-N 2.8Å; S145-I148 WeakPolarHBondContact O-CB 3.39Å; S145-I148 PolarHBondContact O-N 3.17Å; S145-I148 VanDerWaalsContact O-N 3.09Å; L146-I148 VanDerWaalsContact C-N 3.25Å; L146-I148 PolarHBondContact O-N 3.43Å; I148-F150 VanDerWaalsContact C-N 3.28Å; I148-F150 PolarHBondContact O-N 2.89Å; I148-H151 PolarHBondContact O-N 3.15Å; I148-F153 HydrophobicContact CG1-CB 4.17Å; I148-F153 HydrophobicContact CG1-CD2 4.4Å; I148-A155 HydrophobicContact CG2-CB 3.83Å; I148-L159 HydrophobicContact CG2-CD1 4.16Å; I148-L169 HydrophobicContact CB-CD1 4.01Å; I148-L169 HydrophobicContact CD1-CD1 3.99Å; I148-L169 HydrophobicContact CG2-CD1 3.75Å; I148-L169 HydrophobicContact CG2-CD2 4.44Å; I148-I235 HydrophobicContact CD1-CB 3.71Å; I148-I235 HydrophobicContact CD1-CD1 3.72Å; I148-I235 HydrophobicContact CD1-CG1 4.34Å; I148-I235 HydrophobicContact CD1-CG2 3.52Å; I148-I235 HydrophobicContact CG1-CD1 4.08Å
149	V	86.7	Confident	84	Confident	44 Å²	44	43.6 Å²	43.6	27%	0.267	23%	0.227	S	C	.	.	H	α-helix	trans	-57.9	-41.9	177.4	176.8	0	0	0	0	111.6	S145 L146 H151 L169 Y170	S145-V149 PolarHBondContact O-N 2.71Å; L146-V149 WeakPolarHBondContact O-CB 3.48Å; L146-V149 PolarHBondContact O-N 3.07Å; L146-V149 VanDerWaalsContact O-N 3.12Å; V149-H151 PolarHBondContact O-N 2.88Å; V149-L169 HydrophobicContact CB-CD2 4.44Å; V149-L169 HydrophobicContact CG2-CD2 3.21Å; V149-L169 HydrophobicContact CG2-CG 4.47Å; V149-Y170 HydrophobicContact CG1-CD1 4.33Å; V149-Y170 HydrophobicContact CG1-CE1 4.02Å; V149-Y170 HydrophobicContact CG2-CD1 3.82Å; V149-Y170 HydrophobicContact CG2-CE1 3.96Å
150	F	86.8	Confident	83.1	Confident	146 Å²	146	48.6 Å²	48.6	64%	0.64	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	10.8	178.9	-71.4	-62.9	0	0	0	113.8	L146 I148 V152	L146-F150 HydrophobicContact CB-CD2 4.36Å; L146-F150 HydrophobicContact CB-CE2 4.37Å; L146-F150 HydrophobicContact CD2-CE2 3.95Å; L146-F150 WeakPolarHBondContact O-CD2 3.31Å; L146-F150 PolarHBondContact O-N 2.96Å; I148-F150 VanDerWaalsContact C-N 3.28Å; I148-F150 PolarHBondContact O-N 2.89Å; F150-V152 HydrophobicContact CB-CG2 4.29Å; F150-V152 PolarHBondContact O-N 3.33Å; F150-V152 VanDerWaalsContact O-N 3.17Å
151	H	82.8	Confident	82.2	Confident	162 Å²	162	55.7 Å²	55.7	75%	0.75	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	26.8	-180	-59.4	-71.3	0	0	0	114.4	L147 I148 V149	L147-H151 PolarHBondContact O-N 3Å; I148-H151 PolarHBondContact O-N 3.15Å; V149-H151 PolarHBondContact O-N 2.88Å
152	V	83.7	Confident	81.4	Confident	82 Å²	82	57.5 Å²	57.5	50%	0.497	29%	0.294	S	S	.	.	S	Bend	trans	-71.7	-37.8	170.5	179.6	0	0	0	0	110	L147 F150	L147-V152 HydrophobicContact CB-CB 4.18Å; L147-V152 HydrophobicContact CD2-CB 4.33Å; L147-V152 HydrophobicContact CD2-CG1 4.44Å; L147-V152 HydrophobicContact CD2-CG2 4.06Å; L147-V152 VanDerWaalsContact O-CB 3.29Å; L147-V152 WeakPolarHBondContact O-CB 3.39Å; L147-V152 PolarHBondContact O-N 2.64Å; F150-V152 HydrophobicContact CB-CG2 4.29Å; F150-V152 PolarHBondContact O-N 3.33Å; F150-V152 VanDerWaalsContact O-N 3.17Å
153	F	81.3	Confident	80.6	Confident	20 Å²	20	62 Å²	62	9%	0.088	32%	0.322	C	S	.	.	S	Bend	trans	-112.3	122.6	170.6	-57.7	-57	0	0	0	109.6	L147 I148 A155 M228 I231 I235	L147-F153 HydrophobicContact CB-CD2 3.68Å; L147-F153 HydrophobicContact CB-CE2 3.64Å; L147-F153 HydrophobicContact CD1-CE2 3.62Å; L147-F153 HydrophobicContact CD1-CZ 4.24Å; L147-F153 HydrophobicContact CG-CE2 4.28Å; L147-F153 PolarHBondContact O-N 3.08Å; I148-F153 HydrophobicContact CG1-CB 4.17Å; I148-F153 HydrophobicContact CG1-CD2 4.4Å; F153-A155 PolarHBondContact O-N 3.47Å; F153-M228 HydrophobicContact CD1-CB 4.44Å; F153-M228 HydrophobicContact CD1-SD 3.58Å; F153-M228 VanDerWaalsContact CD1-SD 3.58Å; F153-M228 HydrophobicContact CE1-CE 4.46Å; F153-M228 HydrophobicContact CE1-SD 3.47Å; F153-M228 WeakPolarHBondContact CE1-SD 3.34Å; F153-I231 HydrophobicContact CD1-CG2 4.36Å; F153-I231 HydrophobicContact CD2-CG2 4Å; F153-I231 HydrophobicContact CE1-CD1 4.5Å; F153-I231 HydrophobicContact CE1-CG2 4.23Å; F153-I231 HydrophobicContact CE2-CG2 3.85Å; F153-I231 HydrophobicContact CG-CG2 4.26Å; F153-I231 HydrophobicContact CZ-CD1 4.42Å; F153-I231 HydrophobicContact CZ-CG2 3.98Å; F153-I235 HydrophobicContact CD2-CD1 4.3Å
154	D	76.9	Confident	79.9	Confident	103 Å²	103	65.2 Å²	65.2	55%	0.551	33%	0.33	S	S	*	.			trans	-77.5	112.8	176.3	-171.1	2.1	0	0	0	110.5	S156	D154-S156 WeakPolarHBondContact OD1-CB 3.5Å; D154-S156 PolarHBondContact OD1-N 3.14Å; D154-S156 PolarHBondContact OD1-OG 3.21Å; D154-S156 PolarHBondContact OD2-OG 2.96Å
155	A	76.5	Confident	79.4	Confident	5 Å²	5	65.2 Å²	65.2	4%	0.041	33%	0.33	C	S	.	.			trans	-117.9	13.1	177.2	0	0	0	0	0	112.5	I148 F153 L157 I158 L159 A232 I236	I148-A155 HydrophobicContact CG2-CB 3.83Å; F153-A155 PolarHBondContact O-N 3.47Å; A155-L157 VanDerWaalsContact C-N 3.32Å; A155-L157 PolarHBondContact O-N 2.86Å; A155-I158 PolarHBondContact O-N 3.26Å; A155-I158 VanDerWaalsContact O-N 3.11Å; A155-L159 HydrophobicContact CB-CD1 3.87Å; A155-L159 HydrophobicContact CB-CG 4.1Å; A155-L159 WeakPolarHBondContact O-CB 3.3Å; A155-L159 WeakPolarHBondContact O-CG 3.43Å; A155-L159 PolarHBondContact O-N 2.93Å; A155-A232 HydrophobicContact CB-CB 3.85Å; A155-I236 HydrophobicContact CB-CD1 3.98Å
156	S	73.7	Confident	79.1	Confident	47 Å²	47	69.4 Å²	69.4	33%	0.329	35%	0.346	S	S	.	.	H	α-helix	trans	-49.9	-49.2	-175	51.7	0	0	0	0	112.6	D154 I158 L159 D160	D154-S156 WeakPolarHBondContact OD1-CB 3.5Å; D154-S156 PolarHBondContact OD1-N 3.14Å; D154-S156 PolarHBondContact OD1-OG 3.21Å; D154-S156 PolarHBondContact OD2-OG 2.96Å; S156-I158 PolarHBondContact O-N 3.38Å; S156-L159 PolarHBondContact O-N 3.48Å; S156-D160 WeakPolarHBondContact O-CB 3.38Å; S156-D160 VanDerWaalsContact O-CG 3.3Å; S156-D160 PolarHBondContact O-N 3.22Å
157	L	70.4	Confident	78.9	Confident	110 Å²	110	76.9 Å²	76.9	58%	0.576	37%	0.371	S	S	*	.	H	α-helix	trans	-51	-33.9	179.9	-71.8	164.4	0	0	0	114.5	A155 L264	A155-L157 VanDerWaalsContact C-N 3.32Å; A155-L157 PolarHBondContact O-N 2.86Å; L157-L264 HydrophobicContact CD1-CD2 4.09Å
158	I	72.7	Confident	78.8	Confident	17 Å²	17	75.5 Å²	75.5	9%	0.087	37%	0.365	C	S	.	.	H	α-helix	trans	-95.8	-41.2	-177.8	-58.7	169.2	0	0	0	110.3	A155 S156 D160 K161 I162 I233 I236	A155-I158 PolarHBondContact O-N 3.26Å; A155-I158 VanDerWaalsContact O-N 3.11Å; S156-I158 PolarHBondContact O-N 3.38Å; I158-D160 PolarHBondContact O-N 3.02Å; I158-K161 PolarHBondContact O-N 3.21Å; I158-K161 VanDerWaalsContact O-N 3.17Å; I158-I162 HydrophobicContact CG2-CD1 4.29Å; I158-I162 PolarHBondContact O-N 2.98Å; I158-I233 HydrophobicContact CD1-CB 4.24Å; I158-I233 HydrophobicContact CD1-CD1 4.34Å; I158-I233 HydrophobicContact CD1-CG1 3.28Å; I158-I236 HydrophobicContact CB-CD1 3.97Å; I158-I236 HydrophobicContact CD1-CD1 4.35Å; I158-I236 HydrophobicContact CG2-CD1 3.77Å; I158-I236 HydrophobicContact CG2-CG2 4.19Å
159	L	75.4	Confident	78.8	Confident	21 Å²	21	75.4 Å²	75.4	11%	0.11	37%	0.365	C	S	.	.	H	α-helix	trans	-66.7	-25.5	-179.3	-69.3	176.4	0	0	0	112.8	I148 A155 S156 V165 R166 I236	I148-L159 HydrophobicContact CG2-CD1 4.16Å; A155-L159 HydrophobicContact CB-CD1 3.87Å; A155-L159 HydrophobicContact CB-CG 4.1Å; A155-L159 WeakPolarHBondContact O-CB 3.3Å; A155-L159 WeakPolarHBondContact O-CG 3.43Å; A155-L159 PolarHBondContact O-N 2.93Å; S156-L159 PolarHBondContact O-N 3.48Å; L159-V165 HydrophobicContact CD2-CB 4.35Å; L159-V165 HydrophobicContact CD2-CG1 3.81Å; L159-R166 HydrophobicContact CB-CG 4.22Å; L159-R166 HydrophobicContact CD2-CG 3.94Å; L159-R166 PolarHBondContact O-NE 3.01Å; L159-R166 PolarHBondContact O-NH2 3.29Å; L159-I236 HydrophobicContact CD2-CD1 4.06Å; L159-I236 HydrophobicContact CG-CD1 4.24Å
160	D	72.5	Confident	78.9	Confident	105 Å²	105	79 Å²	79	56%	0.561	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-34.8	173.4	-73.1	-27.7	0	0	0	112.1	S156 I158 R166	S156-D160 WeakPolarHBondContact O-CB 3.38Å; S156-D160 VanDerWaalsContact O-CG 3.3Å; S156-D160 PolarHBondContact O-N 3.22Å; I158-D160 PolarHBondContact O-N 3.02Å; D160-R166 IonicContact OD1-CZ 3.79Å; D160-R166 IonicContact OD1-NH2 2.6Å; D160-R166 PolarHBondContact OD1-NH2 3.36Å
161	K	70.8	Confident	79	Confident	150 Å²	150	77.2 Å²	77.2	65%	0.652	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-34.1	176.9	-76.6	-175.3	176.1	-178.7	0	113	I158 T263	I158-K161 PolarHBondContact O-N 3.21Å; I158-K161 VanDerWaalsContact O-N 3.17Å; K161-T263 HydrophobicContact CD-CG2 4.05Å; K161-T263 VanDerWaalsContact NZ-CG2 3.28Å
162	I	71.3	Confident	79.3	Confident	38 Å²	38	70.4 Å²	70.4	20%	0.195	35%	0.345	C	S	.	.			trans	-119.8	77	-173.9	-44.6	-179.7	0	0	0	110.2	I158 W164 V165	I158-I162 HydrophobicContact CG2-CD1 4.29Å; I158-I162 PolarHBondContact O-N 2.98Å; I162-W164 VanDerWaalsContact C-N 3.29Å; I162-W164 VanDerWaalsContact CG2-CD1 3.44Å; I162-W164 HydrophobicContact CG2-CD2 4.34Å; I162-W164 HydrophobicContact CG2-CG 4.2Å; I162-W164 HydrophobicContact CG2-CZ2 4.28Å; I162-W164 PolarHBondContact O-N 2.7Å; I162-V165 HydrophobicContact CB-CG2 4.01Å; I162-V165 HydrophobicContact CG2-CB 4.27Å; I162-V165 HydrophobicContact CG2-CG2 3.43Å; I162-V165 VanDerWaalsContact CG2-CG2 3.43Å; I162-V165 WeakPolarHBondContact O-CB 3.49Å; I162-V165 PolarHBondContact O-N 3.07Å; I162-V165 VanDerWaalsContact O-N 3.14Å
163	T	75.7	Confident	79.6	Confident	96 Å²	96	66.7 Å²	66.7	59%	0.589	32%	0.323	S	S	*	.	H	α-helix	trans	-59.9	-32	-173.3	46.9	0	0	0	0	114.4	V165 R166	T163-V165 VanDerWaalsContact C-N 3.28Å; T163-V165 PolarHBondContact O-N 3.28Å; T163-R166 PolarHBondContact O-N 3.42Å
164	W	77.4	Confident	80.1	Confident	123 Å²	123	72.1 Å²	72.1	47%	0.466	35%	0.347	S	S	.	.	H	α-helix	trans	-67.6	-26.6	179.3	70.6	-95.5	0	0	0	113.4	I162 R166 W167 V168	I162-W164 VanDerWaalsContact C-N 3.29Å; I162-W164 VanDerWaalsContact CG2-CD1 3.44Å; I162-W164 HydrophobicContact CG2-CD2 4.34Å; I162-W164 HydrophobicContact CG2-CG 4.2Å; I162-W164 HydrophobicContact CG2-CZ2 4.28Å; I162-W164 PolarHBondContact O-N 2.7Å; W164-R166 PolarHBondContact O-N 2.83Å; W164-W167 PolarHBondContact O-N 3.15Å; W164-V168 HydrophobicContact CE3-CG2 3.79Å; W164-V168 HydrophobicContact CZ3-CG2 3.81Å; W164-V168 PolarHBondContact O-N 2.99Å
165	V	78.2	Confident	80.7	Confident	4 Å²	4	70.1 Å²	70.1	2%	0.024	33%	0.333	C	S	.	.	H	α-helix	trans	-64	-31.6	179.8	168.7	0	0	0	0	111	L159 I162 T163 W167 V168 L169 I236	L159-V165 HydrophobicContact CD2-CB 4.35Å; L159-V165 HydrophobicContact CD2-CG1 3.81Å; I162-V165 HydrophobicContact CB-CG2 4.01Å; I162-V165 HydrophobicContact CG2-CB 4.27Å; I162-V165 HydrophobicContact CG2-CG2 3.43Å; I162-V165 VanDerWaalsContact CG2-CG2 3.43Å; I162-V165 WeakPolarHBondContact O-CB 3.49Å; I162-V165 PolarHBondContact O-N 3.07Å; I162-V165 VanDerWaalsContact O-N 3.14Å; T163-V165 VanDerWaalsContact C-N 3.28Å; T163-V165 PolarHBondContact O-N 3.28Å; V165-W167 VanDerWaalsContact C-N 3.31Å; V165-W167 PolarHBondContact O-N 2.82Å; V165-V168 PolarHBondContact O-N 2.8Å; V165-L169 VanDerWaalsContact O-CB 3.24Å; V165-L169 WeakPolarHBondContact O-CB 3.49Å; V165-L169 PolarHBondContact O-N 2.58Å; V165-I236 HydrophobicContact CG1-CB 4.48Å; V165-I236 HydrophobicContact CG1-CG1 4.19Å; V165-I236 HydrophobicContact CG1-CG2 3.69Å; V165-I236 HydrophobicContact CG2-CG2 4.3Å
166	R	82.9	Confident	81.4	Confident	88 Å²	88	70.5 Å²	70.5	33%	0.332	34%	0.335	S	S	.	.	H	α-helix	trans	-57.1	-44.8	177.3	-66.7	-178.7	-175.1	-159.7	-8.6	111.8	L159 D160 T163 W164 L169 Y170	L159-R166 HydrophobicContact CB-CG 4.22Å; L159-R166 HydrophobicContact CD2-CG 3.94Å; L159-R166 PolarHBondContact O-NE 3.01Å; L159-R166 PolarHBondContact O-NH2 3.29Å; D160-R166 IonicContact OD1-CZ 3.79Å; D160-R166 IonicContact OD1-NH2 2.6Å; D160-R166 PolarHBondContact OD1-NH2 3.36Å; T163-R166 PolarHBondContact O-N 3.42Å; W164-R166 PolarHBondContact O-N 2.83Å; R166-L169 PolarHBondContact O-N 3.28Å; R166-Y170 HydrophobicContact CB-CE2 4.46Å; R166-Y170 WeakPolarHBondContact O-CD2 3.35Å; R166-Y170 PolarHBondContact O-N 2.73Å
167	W	86.1	Confident	82.2	Confident	192 Å²	192	70.9 Å²	70.9	73%	0.727	34%	0.336	S	S	*	.	H	α-helix	trans	-65.2	-43.6	178.9	-69.9	112.4	0	0	0	112.2	W164 V165 L169 Y170 V171	W164-W167 PolarHBondContact O-N 3.15Å; V165-W167 VanDerWaalsContact C-N 3.31Å; V165-W167 PolarHBondContact O-N 2.82Å; W167-L169 VanDerWaalsContact C-N 3.31Å; W167-L169 PolarHBondContact O-N 3.32Å; W167-Y170 HydrophobicContact CE3-CD2 4.4Å; W167-Y170 PolarHBondContact O-N 3.44Å; W167-V171 WeakPolarHBondContact O-CG2 3.47Å; W167-V171 PolarHBondContact O-N 3.29Å
168	V	85.5	Confident	83.2	Confident	26 Å²	26	69.9 Å²	69.9	16%	0.158	33%	0.33	C	S	.	.	H	α-helix	trans	-61.3	-44	176	173.4	0	0	0	0	110.8	W164 V165 Y170 V171 V172 L239 V243	W164-V168 HydrophobicContact CE3-CG2 3.79Å; W164-V168 HydrophobicContact CZ3-CG2 3.81Å; W164-V168 PolarHBondContact O-N 2.99Å; V165-V168 PolarHBondContact O-N 2.8Å; V168-Y170 VanDerWaalsContact C-N 3.34Å; V168-Y170 PolarHBondContact O-N 2.87Å; V168-V171 PolarHBondContact O-N 3.11Å; V168-V172 HydrophobicContact CG1-CG2 4.22Å; V168-V172 WeakPolarHBondContact O-CB 3.34Å; V168-V172 WeakPolarHBondContact O-CG2 3.35Å; V168-V172 PolarHBondContact O-N 3.43Å; V168-L239 HydrophobicContact CG1-CB 4.38Å; V168-L239 HydrophobicContact CG1-CD2 4.49Å; V168-V243 HydrophobicContact CG1-CG2 3.55Å; V168-V243 HydrophobicContact CG2-CG2 4.22Å
169	L	87.6	Confident	84.1	Confident	4 Å²	4	69.4 Å²	69.4	2%	0.021	33%	0.328	C	S	.	.	H	α-helix	trans	-61.3	-41.3	179.8	-174.8	141.1	0	0	0	111.6	I148 V149 V165 R166 W167 S173 L239	I148-L169 HydrophobicContact CB-CD1 4.01Å; I148-L169 HydrophobicContact CD1-CD1 3.99Å; I148-L169 HydrophobicContact CG2-CD1 3.75Å; I148-L169 HydrophobicContact CG2-CD2 4.44Å; V149-L169 HydrophobicContact CB-CD2 4.44Å; V149-L169 HydrophobicContact CG2-CD2 3.21Å; V149-L169 HydrophobicContact CG2-CG 4.47Å; V165-L169 VanDerWaalsContact O-CB 3.24Å; V165-L169 WeakPolarHBondContact O-CB 3.49Å; V165-L169 PolarHBondContact O-N 2.58Å; R166-L169 PolarHBondContact O-N 3.28Å; W167-L169 VanDerWaalsContact C-N 3.31Å; W167-L169 PolarHBondContact O-N 3.32Å; L169-S173 WeakPolarHBondContact O-CB 3.38Å; L169-S173 PolarHBondContact O-N 2.89Å; L169-S173 PolarHBondContact O-OG 3.28Å; L169-L239 HydrophobicContact CB-CD1 4.14Å; L169-L239 HydrophobicContact CD1-CD1 4.12Å; L169-L239 HydrophobicContact CG-CD1 4.27Å
170	Y	89	Confident	84.7	Confident	120 Å²	120	70.4 Å²	70.4	47%	0.471	33%	0.333	S	S	.	.	H	α-helix	trans	-65.3	-45.1	173.3	-64.1	-41.6	0	0	0	113.1	V149 R166 W167 V168 V172 S173 F174	V149-Y170 HydrophobicContact CG1-CD1 4.33Å; V149-Y170 HydrophobicContact CG1-CE1 4.02Å; V149-Y170 HydrophobicContact CG2-CD1 3.82Å; V149-Y170 HydrophobicContact CG2-CE1 3.96Å; R166-Y170 HydrophobicContact CB-CE2 4.46Å; R166-Y170 WeakPolarHBondContact O-CD2 3.35Å; R166-Y170 PolarHBondContact O-N 2.73Å; W167-Y170 HydrophobicContact CE3-CD2 4.4Å; W167-Y170 PolarHBondContact O-N 3.44Å; V168-Y170 VanDerWaalsContact C-N 3.34Å; V168-Y170 PolarHBondContact O-N 2.87Å; Y170-V172 PolarHBondContact O-N 3.35Å; Y170-S173 PolarHBondContact O-N 2.89Å; Y170-F174 WeakPolarHBondContact O-CB 3.31Å; Y170-F174 PolarHBondContact O-N 2.98Å
171	V	89.2	Confident	85.5	Confident	108 Å²	108	70.5 Å²	70.5	66%	0.655	33%	0.332	S	S	*	.	H	α-helix	trans	-61	-46.3	178.8	170.6	0	0	0	0	111	W167 V168 F174 F175	W167-V171 WeakPolarHBondContact O-CG2 3.47Å; W167-V171 PolarHBondContact O-N 3.29Å; V168-V171 PolarHBondContact O-N 3.11Å; V171-F174 PolarHBondContact O-N 3.23Å; V171-F175 PolarHBondContact O-N 2.71Å
172	V	88.8	Confident	86.4	Confident	20 Å²	20	69.7 Å²	69.7	12%	0.121	33%	0.326	C	S	.	.	H	α-helix	trans	-70.2	-35.3	179.4	176.4	0	0	0	0	111.3	S142 V168 Y170 F175 L239	S142-V172 WeakPolarHBondContact CB-O 3.32Å; S142-V172 PolarHBondContact OG-O 2.96Å; V168-V172 HydrophobicContact CG1-CG2 4.22Å; V168-V172 WeakPolarHBondContact O-CB 3.34Å; V168-V172 WeakPolarHBondContact O-CG2 3.35Å; V168-V172 PolarHBondContact O-N 3.43Å; Y170-V172 PolarHBondContact O-N 3.35Å; V172-F175 VanDerWaalsContact O-CB 3.29Å; V172-F175 WeakPolarHBondContact O-CB 3.48Å; V172-F175 PolarHBondContact O-N 2.66Å; V172-L239 HydrophobicContact CB-CD2 3.7Å; V172-L239 HydrophobicContact CG1-CD2 3.56Å; V172-L239 HydrophobicContact CG2-CD2 3.7Å
173	S	90	Very high	87.1	Confident	4 Å²	4	68 Å²	68	3%	0.028	32%	0.318	C	S	.	.	H	α-helix	trans	-62.7	-41.8	173.8	-65.5	0	0	0	0	112.3	S145 L146 L169 Y170 F175 L176 P177	S145-S173 VanDerWaalsContact C-OG 3.25Å; S145-S173 WeakPolarHBondContact CB-OG 3.45Å; L146-S173 PolarHBondContact N-OG 3.03Å; L169-S173 WeakPolarHBondContact O-CB 3.38Å; L169-S173 PolarHBondContact O-N 2.89Å; L169-S173 PolarHBondContact O-OG 3.28Å; Y170-S173 PolarHBondContact O-N 2.89Å; S173-F175 PolarHBondContact O-N 2.79Å; S173-L176 PolarHBondContact O-N 3.02Å; S173-P177 WeakPolarHBondContact O-CD 3.4Å
174	F	91.1	Very high	87.6	Confident	133 Å²	133	67.1 Å²	67.1	58%	0.583	31%	0.308	S	S	*	.	H	α-helix	trans	-68.4	-20.3	179.1	-167.2	-111.4	0	0	0	113.5	Y170 V171 L176 P177 L178	Y170-F174 WeakPolarHBondContact O-CB 3.31Å; Y170-F174 PolarHBondContact O-N 2.98Å; V171-F174 PolarHBondContact O-N 3.23Å; F174-L176 VanDerWaalsContact C-N 3.3Å; F174-L176 PolarHBondContact O-N 3.18Å; F174-P177 HydrophobicContact CD2-CG 4.43Å; F174-P177 VanDerWaalsContact O-CD 3.26Å; F174-P177 WeakPolarHBondContact O-CD 3.2Å; F174-P177 VanDerWaalsContact O-CG 3.31Å; F174-P177 WeakPolarHBondContact O-CG 3.48Å; F174-L178 HydrophobicContact CD1-CD1 3.45Å; F174-L178 VanDerWaalsContact CD1-CD1 3.45Å; F174-L178 HydrophobicContact CD1-CG 3.93Å; F174-L178 HydrophobicContact CE1-CD1 3.47Å; F174-L178 VanDerWaalsContact CE1-CD1 3.47Å; F174-L178 HydrophobicContact CE1-CD2 3.94Å; F174-L178 HydrophobicContact CE1-CG 3.71Å; F174-L178 HydrophobicContact CG-CD1 4.48Å; F174-L178 HydrophobicContact CZ-CD1 4.5Å; F174-L178 HydrophobicContact CZ-CD2 4.31Å; F174-L178 HydrophobicContact CZ-CG 4.3Å; F174-L178 WeakPolarHBondContact O-CG 3.21Å
175	F	91	Very high	88	Confident	61 Å²	61	66.5 Å²	66.5	27%	0.268	32%	0.317	S	S	.	.	H	α-helix	trans	-62.2	-34.1	176.1	179.6	-100.3	0	0	0	113.1	I135 L138 T139 S142 V171 V172 S173 L178 F179	I135-F175 HydrophobicContact CG2-CE2 4.38Å; I135-F175 HydrophobicContact CG2-CZ 3.64Å; L138-F175 HydrophobicContact CB-CD1 4.35Å; L138-F175 HydrophobicContact CB-CE1 3.77Å; L138-F175 HydrophobicContact CB-CZ 4.37Å; L138-F175 HydrophobicContact CD1-CZ 4.38Å; T139-F175 HydrophobicContact CG2-CD1 4.32Å; T139-F175 HydrophobicContact CG2-CE1 3.83Å; S142-F175 WeakPolarHBondContact OG-CD1 3.46Å; V171-F175 PolarHBondContact O-N 2.71Å; V172-F175 VanDerWaalsContact O-CB 3.29Å; V172-F175 WeakPolarHBondContact O-CB 3.48Å; V172-F175 PolarHBondContact O-N 2.66Å; S173-F175 PolarHBondContact O-N 2.79Å; F175-L178 PolarHBondContact O-N 2.94Å; F175-F179 HydrophobicContact CE1-CB 4.33Å; F175-F179 WeakPolarHBondContact O-CB 3.4Å; F175-F179 PolarHBondContact O-N 2.8Å
176	L	90.8	Very high	88.3	Confident	14 Å²	14	74.9 Å²	74.9	7%	0.073	35%	0.348	C	S	.	.	H	α-helix	trans	-60.4	-57.9	-179	179.8	69.3	0	0	0	113.3	T139 L143 L146 S173 F174 L178 F179 I180 T200	T139-L176 HydrophobicContact CG2-CD1 4.43Å; L143-L176 HydrophobicContact CB-CD2 3.94Å; L143-L176 HydrophobicContact CD1-CD2 3.77Å; L143-L176 HydrophobicContact CG-CD2 4.44Å; L146-L176 HydrophobicContact CD1-CB 4.09Å; L146-L176 HydrophobicContact CD1-CD2 3.52Å; L146-L176 HydrophobicContact CD1-CG 4.39Å; S173-L176 PolarHBondContact O-N 3.02Å; F174-L176 VanDerWaalsContact C-N 3.3Å; F174-L176 PolarHBondContact O-N 3.18Å; L176-L178 VanDerWaalsContact C-N 3.28Å; L176-L178 PolarHBondContact O-N 3.08Å; L176-F179 PolarHBondContact O-N 3.03Å; L176-I180 HydrophobicContact CD1-CD1 3.9Å; L176-I180 HydrophobicContact CD1-CG1 4.29Å; L176-I180 HydrophobicContact CG-CD1 3.99Å; L176-I180 WeakPolarHBondContact O-CG1 3.32Å; L176-I180 PolarHBondContact O-N 3.47Å; L176-T200 HydrophobicContact CD1-CG2 3.64Å
177	P	90.8	Very high	88.3	Confident	54 Å²	54	71.9 Å²	71.9	35%	0.351	34%	0.341	S	S	.	.	H	α-helix	trans	-61.5	-38.2	179.8	22.9	-33.5	0	0	0	111.8	S173 F174 F179 I180 I181	S173-P177 WeakPolarHBondContact O-CD 3.4Å; F174-P177 HydrophobicContact CD2-CG 4.43Å; F174-P177 VanDerWaalsContact O-CD 3.26Å; F174-P177 WeakPolarHBondContact O-CD 3.2Å; F174-P177 VanDerWaalsContact O-CG 3.31Å; F174-P177 WeakPolarHBondContact O-CG 3.48Å; P177-F179 PolarHBondContact O-N 3.29Å; P177-I180 PolarHBondContact O-N 3.24Å; P177-I181 WeakPolarHBondContact O-CB 3.07Å; P177-I181 WeakPolarHBondContact O-CD1 3.28Å; P177-I181 WeakPolarHBondContact O-CG1 3.23Å; P177-I181 PolarHBondContact O-N 3.15Å
178	L	90.9	Very high	87.8	Confident	89 Å²	89	64.2 Å²	64.2	47%	0.466	32%	0.315	S	S	.	.	H	α-helix	trans	-59.4	-46.3	175.1	-74.1	176.5	0	0	0	112.3	F174 F175 L176 Y182	F174-L178 HydrophobicContact CD1-CD1 3.45Å; F174-L178 VanDerWaalsContact CD1-CD1 3.45Å; F174-L178 HydrophobicContact CD1-CG 3.93Å; F174-L178 HydrophobicContact CE1-CD1 3.47Å; F174-L178 VanDerWaalsContact CE1-CD1 3.47Å; F174-L178 HydrophobicContact CE1-CD2 3.94Å; F174-L178 HydrophobicContact CE1-CG 3.71Å; F174-L178 HydrophobicContact CG-CD1 4.48Å; F174-L178 HydrophobicContact CZ-CD1 4.5Å; F174-L178 HydrophobicContact CZ-CD2 4.31Å; F174-L178 HydrophobicContact CZ-CG 4.3Å; F174-L178 WeakPolarHBondContact O-CG 3.21Å; F175-L178 PolarHBondContact O-N 2.94Å; L176-L178 VanDerWaalsContact C-N 3.28Å; L176-L178 PolarHBondContact O-N 3.08Å; L178-Y182 VanDerWaalsContact O-CB 3.25Å; L178-Y182 WeakPolarHBondContact O-CB 3.35Å; L178-Y182 PolarHBondContact O-N 3.45Å
179	F	90.8	Very high	87.6	Confident	8 Å²	8	64 Å²	64	4%	0.035	31%	0.313	C	S	.	.	H	α-helix	trans	-64.1	-45.3	178.5	176	-94.3	0	0	0	111.8	L132 I135 T139 F175 L176 P177 Y182 S183	L132-F179 HydrophobicContact CD1-CE2 3.88Å; L132-F179 HydrophobicContact CD1-CZ 3.72Å; L132-F179 HydrophobicContact CG-CZ 4.36Å; I135-F179 HydrophobicContact CB-CD2 4.48Å; I135-F179 HydrophobicContact CB-CE2 4.04Å; I135-F179 HydrophobicContact CG2-CD2 3.54Å; I135-F179 HydrophobicContact CG2-CE2 3.59Å; T139-F179 HydrophobicContact CG2-CB 4.06Å; T139-F179 HydrophobicContact CG2-CD1 3.41Å; T139-F179 VanDerWaalsContact CG2-CD1 3.41Å; T139-F179 HydrophobicContact CG2-CD2 4.25Å; T139-F179 HydrophobicContact CG2-CE1 3.86Å; T139-F179 HydrophobicContact CG2-CG 3.62Å; T139-F179 HydrophobicContact CG2-CZ 4.45Å; F175-F179 HydrophobicContact CE1-CB 4.33Å; F175-F179 WeakPolarHBondContact O-CB 3.4Å; F175-F179 PolarHBondContact O-N 2.8Å; L176-F179 PolarHBondContact O-N 3.03Å; P177-F179 PolarHBondContact O-N 3.29Å; F179-Y182 PolarHBondContact O-N 3.26Å; F179-S183 VanDerWaalsContact O-CB 3.27Å; F179-S183 WeakPolarHBondContact O-CB 3.39Å; F179-S183 PolarHBondContact O-N 3.36Å; F179-S183 PolarHBondContact O-OG 3.09Å
180	I	89.2	Confident	87.1	Confident	42 Å²	42	71.3 Å²	71.3	22%	0.215	35%	0.345	C	S	.	.	H	α-helix	trans	-61.2	-50.1	179.6	-67.8	174.5	0	0	0	110	L176 P177 Y182 S183 M184	L176-I180 HydrophobicContact CD1-CD1 3.9Å; L176-I180 HydrophobicContact CD1-CG1 4.29Å; L176-I180 HydrophobicContact CG-CD1 3.99Å; L176-I180 WeakPolarHBondContact O-CG1 3.32Å; L176-I180 PolarHBondContact O-N 3.47Å; P177-I180 PolarHBondContact O-N 3.24Å; I180-Y182 PolarHBondContact O-N 3.43Å; I180-S183 PolarHBondContact O-N 2.99Å; I180-S183 PolarHBondContact O-OG 2.9Å; I180-M184 HydrophobicContact CG2-CE 4.06Å; I180-M184 HydrophobicContact CG2-SD 4.07Å; I180-M184 WeakPolarHBondContact O-CG 3.43Å; I180-M184 PolarHBondContact O-N 3.42Å
181	I	89.4	Confident	86.6	Confident	107 Å²	107	72.3 Å²	72.3	55%	0.549	36%	0.358	S	S	.	.	H	α-helix	trans	-57.5	-49.3	177.5	-67.4	165.8	0	0	0	110.3	P177 S183 M184 V185	P177-I181 WeakPolarHBondContact O-CB 3.07Å; P177-I181 WeakPolarHBondContact O-CD1 3.28Å; P177-I181 WeakPolarHBondContact O-CG1 3.23Å; P177-I181 PolarHBondContact O-N 3.15Å; I181-S183 PolarHBondContact O-N 2.89Å; I181-M184 PolarHBondContact O-N 3.45Å; I181-V185 HydrophobicContact CG2-CG2 4.18Å; I181-V185 WeakPolarHBondContact O-CB 3.27Å; I181-V185 WeakPolarHBondContact O-CG2 3.36Å; I181-V185 PolarHBondContact O-N 2.97Å
182	Y	88.3	Confident	86.2	Confident	133 Å²	133	69.7 Å²	69.7	52%	0.522	34%	0.341	S	S	.	.	H	α-helix	trans	-59.9	-46.4	179.2	177.9	-95.8	0	0	0	112.2	L178 F179 I180 M184 V185 R186	L178-Y182 VanDerWaalsContact O-CB 3.25Å; L178-Y182 WeakPolarHBondContact O-CB 3.35Å; L178-Y182 PolarHBondContact O-N 3.45Å; F179-Y182 PolarHBondContact O-N 3.26Å; I180-Y182 PolarHBondContact O-N 3.43Å; Y182-M184 VanDerWaalsContact C-N 3.29Å; Y182-M184 PolarHBondContact O-N 3.37Å; Y182-V185 PolarHBondContact O-N 3.38Å; Y182-R186 HydrophobicContact CE2-CB 4.48Å; Y182-R186 PolarHBondContact O-N 2.92Å
183	S	87.2	Confident	85.9	Confident	3 Å²	3	75.3 Å²	75.3	2%	0.021	36%	0.36	C	S	.	.	H	α-helix	trans	-65	-32.4	-178.2	75.1	0	0	0	0	112.8	F179 I180 I181 P187	F179-S183 VanDerWaalsContact O-CB 3.27Å; F179-S183 WeakPolarHBondContact O-CB 3.39Å; F179-S183 PolarHBondContact O-N 3.36Å; F179-S183 PolarHBondContact O-OG 3.09Å; I180-S183 PolarHBondContact O-N 2.99Å; I180-S183 PolarHBondContact O-OG 2.9Å; I181-S183 PolarHBondContact O-N 2.89Å; S183-P187 WeakPolarHBondContact O-CA 3.39Å; S183-P187 WeakPolarHBondContact O-CB 3.31Å
184	M	85.6	Confident	85.7	Confident	77 Å²	77	80.5 Å²	80.5	38%	0.379	38%	0.382	S	S	.	.	H	α-helix	trans	-80.5	-37.1	177.2	-72	-175.1	170.2	0	0	112.8	I180 I181 Y182 F194	I180-M184 HydrophobicContact CG2-CE 4.06Å; I180-M184 HydrophobicContact CG2-SD 4.07Å; I180-M184 WeakPolarHBondContact O-CG 3.43Å; I180-M184 PolarHBondContact O-N 3.42Å; I181-M184 PolarHBondContact O-N 3.45Å; Y182-M184 VanDerWaalsContact C-N 3.29Å; Y182-M184 PolarHBondContact O-N 3.37Å; M184-F194 HydrophobicContact CE-CD1 4.33Å; M184-F194 HydrophobicContact CE-CE1 4.35Å
185	V	86.5	Confident	85.5	Confident	110 Å²	110	74.5 Å²	74.5	67%	0.667	36%	0.356	S	S	*	.	H	α-helix	trans	-76.3	-36.8	179.5	175.5	0	0	0	0	111.5	I181 Y182 P187	I181-V185 HydrophobicContact CG2-CG2 4.18Å; I181-V185 WeakPolarHBondContact O-CB 3.27Å; I181-V185 WeakPolarHBondContact O-CG2 3.36Å; I181-V185 PolarHBondContact O-N 2.97Å; Y182-V185 PolarHBondContact O-N 3.38Å; V185-P187 VanDerWaalsContact C-CD 3.47Å
186	R	84.1	Confident	85.3	Confident	179 Å²	179	71.7 Å²	71.7	68%	0.675	35%	0.345	S	S	*	.	S	Bend	trans	-127	65.5	-179.5	-63.8	-168.4	178.7	178.4	1.4	111.9	Y182	Y182-R186 HydrophobicContact CE2-CB 4.48Å; Y182-R186 PolarHBondContact O-N 2.92Å
187	P	81.9	Confident	85.2	Confident	26 Å²	26	73.9 Å²	73.9	17%	0.169	36%	0.356	C	S	.	.			trans	-70	145.8	179.9	30.3	-35.1	0	0	0	111	S183 V185 D189 R193	S183-P187 WeakPolarHBondContact O-CA 3.39Å; S183-P187 WeakPolarHBondContact O-CB 3.31Å; V185-P187 VanDerWaalsContact C-CD 3.47Å; P187-D189 PolarHBondContact O-N 3.29Å; P187-R193 HydrophobicContact CB-CB 4.34Å; P187-R193 HydrophobicContact CB-CG 4.34Å; P187-R193 HydrophobicContact CG-CB 4.41Å; P187-R193 HydrophobicContact CG-CG 3.97Å
188	P	76.4	Confident	85.2	Confident	30 Å²	30	77.2 Å²	77.2	20%	0.195	36%	0.363	C	S	.	.	S	Bend	trans	-57.8	-31	174.6	-24.1	33	0	0	0	113.2	H128 F129 L132	H128-P188 HydrophobicContact CB-CB 4.1Å; F129-P188 HydrophobicContact CD1-CB 4.11Å; F129-P188 HydrophobicContact CD1-CG 4.14Å; F129-P188 HydrophobicContact CD2-CB 4.1Å; F129-P188 HydrophobicContact CE1-CB 3.97Å; F129-P188 HydrophobicContact CE1-CG 4.16Å; F129-P188 HydrophobicContact CE2-CB 3.97Å; F129-P188 HydrophobicContact CG-CB 4.16Å; F129-P188 HydrophobicContact CZ-CB 3.91Å; L132-P188 HydrophobicContact CB-CG 4.27Å; L132-P188 HydrophobicContact CD2-CG 3.8Å
189	D	81.3	Confident	85.2	Confident	22 Å²	22	73 Å²	73	12%	0.118	34%	0.34	C	S	.	.	S	Bend	trans	-137.6	127.8	172.7	-164.7	-29.3	0	0	0	109.6	K125 F129 P187 N191 N192	K125-D189 IonicContact NZ-OD1 2.66Å; K125-D189 IonicContact NZ-OD2 3.97Å; K125-D189 PolarHBondContact NZ-OD2 3.09Å; F129-D189 HydrophobicContact CE2-CB 4.23Å; F129-D189 HydrophobicContact CZ-CB 3.91Å; P187-D189 PolarHBondContact O-N 3.29Å; D189-N191 PolarHBondContact O-N 3.45Å; D189-N191 PolarHBondContact OD1-N 3.27Å; D189-N192 HydrophobicContact CB-CB 4.33Å; D189-N192 CarbonylContact O-C 3.42Å; D189-N192 PolarHBondContact O-N 2.9Å
190	K	76.9	Confident	85.2	Confident	157 Å²	157	73 Å²	73	68%	0.683	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-60.4	-25.9	178.1	-72.5	-174.4	179	-179.4	0	112.5	N192 R193	K190-N192 VanDerWaalsContact C-N 3.31Å; K190-R193 WeakPolarHBondContact O-CG 3.2Å; K190-R193 PolarHBondContact O-NE 2.91Å
191	N	78.2	Confident	85.3	Confident	141 Å²	141	76 Å²	76	75%	0.754	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-77.8	-17.6	177.8	-67.2	-15.2	0	0	0	112.7	D189	D189-N191 PolarHBondContact O-N 3.45Å; D189-N191 PolarHBondContact OD1-N 3.27Å
192	N	81.1	Confident	85.4	Confident	54 Å²	54	71.7 Å²	71.7	29%	0.289	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-127.3	50.5	-174.4	-70.1	-47.8	0	0	0	111.2	A77 D189 K190 F194 V195	A77-N192 PolarHBondContact O-ND2 3.17Å; A77-N192 VanDerWaalsContact O-ND2 3.08Å; D189-N192 HydrophobicContact CB-CB 4.33Å; D189-N192 CarbonylContact O-C 3.42Å; D189-N192 PolarHBondContact O-N 2.9Å; K190-N192 VanDerWaalsContact C-N 3.31Å; N192-F194 PolarHBondContact O-N 3.36Å; N192-V195 HydrophobicContact CB-CG2 3.72Å; N192-V195 WeakPolarHBondContact O-CG2 3.47Å; N192-V195 PolarHBondContact O-N 2.85Å
193	R	82.1	Confident	85.6	Confident	138 Å²	138	65.3 Å²	65.3	52%	0.521	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-26.2	-174.6	-53	-163.1	179.4	177.6	-2.2	114.3	P187 K190 V195	P187-R193 HydrophobicContact CB-CB 4.34Å; P187-R193 HydrophobicContact CB-CG 4.34Å; P187-R193 HydrophobicContact CG-CB 4.41Å; P187-R193 HydrophobicContact CG-CG 3.97Å; K190-R193 WeakPolarHBondContact O-CG 3.2Å; K190-R193 PolarHBondContact O-NE 2.91Å; R193-V195 VanDerWaalsContact C-N 3.34Å
194	F	86.2	Confident	85.8	Confident	113 Å²	113	66.2 Å²	66.2	50%	0.496	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	2.8	-176.9	-61.7	-71.9	0	0	0	114.3	M184 N192 G196 L197 Y198	M184-F194 HydrophobicContact CE-CD1 4.33Å; M184-F194 HydrophobicContact CE-CE1 4.35Å; N192-F194 PolarHBondContact O-N 3.36Å; F194-G196 VanDerWaalsContact C-N 3.26Å; F194-G196 PolarHBondContact O-N 2.97Å; F194-L197 HydrophobicContact CD1-CD2 4.39Å; F194-L197 WeakPolarHBondContact O-CB 3.45Å; F194-L197 PolarHBondContact O-N 2.94Å; F194-Y198 HydrophobicContact CB-CD2 4.43Å; F194-Y198 HydrophobicContact CB-CE2 3.87Å; F194-Y198 VanDerWaalsContact O-CD2 3.31Å; F194-Y198 WeakPolarHBondContact O-CD2 3.28Å; F194-Y198 PolarHBondContact O-N 3.35Å
195	V	86.2	Confident	86.1	Confident	7 Å²	7	66.2 Å²	66.2	4%	0.042	32%	0.321	C	S	.	.	H	α-helix	trans	-60.5	-37.4	-179.6	171.4	0	0	0	0	112.1	I73 A77 F129 L132 N192 R193 L197 Y198 C199	I73-V195 HydrophobicContact CG2-CG1 3.8Å; I73-V195 HydrophobicContact CG2-CG2 4.32Å; A77-V195 HydrophobicContact CB-CG2 4.18Å; F129-V195 HydrophobicContact CD1-CG1 3.98Å; F129-V195 HydrophobicContact CE1-CB 4.1Å; F129-V195 HydrophobicContact CE1-CG1 3.82Å; F129-V195 HydrophobicContact CE1-CG2 4.01Å; L132-V195 HydrophobicContact CD2-CB 4.39Å; L132-V195 HydrophobicContact CD2-CG1 3.88Å; N192-V195 HydrophobicContact CB-CG2 3.72Å; N192-V195 WeakPolarHBondContact O-CG2 3.47Å; N192-V195 PolarHBondContact O-N 2.85Å; R193-V195 VanDerWaalsContact C-N 3.34Å; V195-L197 VanDerWaalsContact C-N 3.3Å; V195-L197 PolarHBondContact O-N 3.3Å; V195-Y198 PolarHBondContact O-N 3.07Å; V195-C199 WeakPolarHBondContact O-CB 3.33Å; V195-C199 PolarHBondContact O-N 3.2Å; V195-C199 PolarHBondContact O-SG 3.48Å
196	G	86.7	Confident	86.3	Confident	2 Å²	2	62.2 Å²	62.2	2%	0.021	30%	0.295	C	S	.	.	H	α-helix	trans	-56.5	-44.9	173.3	0	0	0	0	0	112.1	F194 C199 T200	F194-G196 VanDerWaalsContact C-N 3.26Å; F194-G196 PolarHBondContact O-N 2.97Å; G196-C199 PolarHBondContact O-N 2.69Å; G196-T200 PolarHBondContact O-N 3.44Å; G196-T200 PolarHBondContact O-OG1 3.43Å; G196-T200 VanDerWaalsContact O-OG1 3.05Å
197	L	88.9	Confident	86.7	Confident	60 Å²	60	56 Å²	56	31%	0.314	27%	0.271	S	S	.	.	H	α-helix	trans	-65.5	-43.8	178.5	-174.8	67.8	0	0	0	112.1	F194 V195 C199 T200 L201	F194-L197 HydrophobicContact CD1-CD2 4.39Å; F194-L197 WeakPolarHBondContact O-CB 3.45Å; F194-L197 PolarHBondContact O-N 2.94Å; V195-L197 VanDerWaalsContact C-N 3.3Å; V195-L197 PolarHBondContact O-N 3.3Å; L197-C199 VanDerWaalsContact C-N 3.31Å; L197-C199 PolarHBondContact O-N 3.14Å; L197-T200 WeakPolarHBondContact O-CB 3.4Å; L197-T200 PolarHBondContact O-N 3.37Å; L197-L201 PolarHBondContact O-N 2.92Å
198	Y	90.8	Very high	87.1	Confident	124 Å²	124	57.7 Å²	57.7	49%	0.486	28%	0.279	S	S	.	.	H	α-helix	trans	-61.3	-41.9	175.8	-60.6	-44.1	0	0	0	111.5	F194 V195 T200 L201 V202	F194-Y198 HydrophobicContact CB-CD2 4.43Å; F194-Y198 HydrophobicContact CB-CE2 3.87Å; F194-Y198 VanDerWaalsContact O-CD2 3.31Å; F194-Y198 WeakPolarHBondContact O-CD2 3.28Å; F194-Y198 PolarHBondContact O-N 3.35Å; V195-Y198 PolarHBondContact O-N 3.07Å; Y198-T200 VanDerWaalsContact C-N 3.32Å; Y198-T200 PolarHBondContact O-N 3.04Å; Y198-L201 PolarHBondContact O-N 2.84Å; Y198-V202 WeakPolarHBondContact O-CG2 3.38Å; Y198-V202 PolarHBondContact O-N 3.37Å
199	C	90.8	Very high	87.8	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-64.3	-35.8	175.3	-71	0	0	0	0	112.7	Y70 S136 V195 G196 L197 V202 S203	Y70-C199 HydrophobicContact CD1-CB 4.25Å; Y70-C199 HydrophobicContact CE1-CB 3.9Å; Y70-C199 WeakPolarHBondContact CE1-O 3.3Å; Y70-C199 PolarHBondContact OH-O 2.85Å; S136-C199 WeakPolarHBondContact OG-CB 3.19Å; V195-C199 WeakPolarHBondContact O-CB 3.33Å; V195-C199 PolarHBondContact O-N 3.2Å; V195-C199 PolarHBondContact O-SG 3.48Å; G196-C199 PolarHBondContact O-N 2.69Å; L197-C199 VanDerWaalsContact C-N 3.31Å; L197-C199 PolarHBondContact O-N 3.14Å; C199-V202 PolarHBondContact O-N 3Å; C199-S203 WeakPolarHBondContact O-CB 3.48Å; C199-S203 PolarHBondContact O-N 3.32Å
200	T	90.6	Very high	88.2	Confident	9 Å²	9	56.2 Å²	56.2	6%	0.055	27%	0.272	C	S	.	.	H	α-helix	trans	-63.1	-42.5	172.8	-60.1	0	0	0	0	112	T139 L176 G196 L197 Y198 S203 C204	T139-T200 WeakPolarHBondContact OG1-CA 3.4Å; T139-T200 PolarHBondContact OG1-OG1 2.85Å; L176-T200 HydrophobicContact CD1-CG2 3.64Å; G196-T200 PolarHBondContact O-N 3.44Å; G196-T200 PolarHBondContact O-OG1 3.43Å; G196-T200 VanDerWaalsContact O-OG1 3.05Å; L197-T200 WeakPolarHBondContact O-CB 3.4Å; L197-T200 PolarHBondContact O-N 3.37Å; Y198-T200 VanDerWaalsContact C-N 3.32Å; Y198-T200 PolarHBondContact O-N 3.04Å; T200-S203 WeakPolarHBondContact O-CB 3.32Å; T200-S203 PolarHBondContact O-N 2.89Å; T200-C204 PolarHBondContact O-N 2.94Å
201	L	91.9	Very high	88.9	Confident	104 Å²	104	48.8 Å²	48.8	55%	0.545	24%	0.24	S	C	.	.	H	α-helix	trans	-62.6	-44.5	176.1	-69.8	173.3	0	0	0	111.5	L197 Y198 S203 C204 V205	L197-L201 PolarHBondContact O-N 2.92Å; Y198-L201 PolarHBondContact O-N 2.84Å; L201-S203 VanDerWaalsContact C-N 3.3Å; L201-S203 PolarHBondContact O-N 3.41Å; L201-C204 WeakPolarHBondContact O-CB 3.5Å; L201-C204 PolarHBondContact O-N 3.07Å; L201-V205 VanDerWaalsContact O-CG2 3.28Å; L201-V205 WeakPolarHBondContact O-CG2 3.26Å; L201-V205 PolarHBondContact O-N 2.9Å; L201-V205 VanDerWaalsContact O-N 3.08Å
202	V	92.5	Very high	89.6	Confident	16 Å²	16	44.5 Å²	44.5	10%	0.097	22%	0.219	C	C	.	.	H	α-helix	trans	-59.8	-43.4	175	176.9	0	0	0	0	110.7	M69 Y70 I73 Y198 C199 C204 V205 E206	M69-V202 HydrophobicContact CB-CG1 4.01Å; M69-V202 HydrophobicContact CB-CG2 3.7Å; Y70-V202 HydrophobicContact CD1-CB 4.41Å; Y70-V202 HydrophobicContact CD1-CG1 4.2Å; Y70-V202 HydrophobicContact CD2-CG1 3.73Å; Y70-V202 HydrophobicContact CE1-CB 4.04Å; Y70-V202 HydrophobicContact CE1-CG1 4Å; Y70-V202 HydrophobicContact CE2-CB 4.38Å; Y70-V202 HydrophobicContact CE2-CG1 3.51Å; Y70-V202 HydrophobicContact CG-CG1 4.07Å; I73-V202 HydrophobicContact CD1-CG2 3.73Å; Y198-V202 WeakPolarHBondContact O-CG2 3.38Å; Y198-V202 PolarHBondContact O-N 3.37Å; C199-V202 PolarHBondContact O-N 3Å; V202-C204 VanDerWaalsContact C-N 3.35Å; V202-C204 PolarHBondContact O-N 2.91Å; V202-V205 PolarHBondContact O-N 2.85Å; V202-E206 WeakPolarHBondContact O-CB 2.98Å; V202-E206 PolarHBondContact O-N 3.32Å
203	S	91.8	Very high	90.1	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-61.4	-42	177.7	-166.1	0	0	0	0	112.2	Y70 S136 M137 G140 C199 T200 L201 E206 W207	Y70-S203 WeakPolarHBondContact OH-CA 3.31Å; Y70-S203 WeakPolarHBondContact OH-CB 3.3Å; Y70-S203 PolarHBondContact OH-N 3.45Å; S136-S203 WeakPolarHBondContact O-CB 3.21Å; S136-S203 PolarHBondContact O-OG 2.89Å; M137-S203 PolarHBondContact O-OG 3.49Å; G140-S203 WeakPolarHBondContact CA-OG 3.25Å; G140-S203 PolarHBondContact N-OG 3.34Å; C199-S203 WeakPolarHBondContact O-CB 3.48Å; C199-S203 PolarHBondContact O-N 3.32Å; T200-S203 WeakPolarHBondContact O-CB 3.32Å; T200-S203 PolarHBondContact O-N 2.89Å; L201-S203 VanDerWaalsContact C-N 3.3Å; L201-S203 PolarHBondContact O-N 3.41Å; S203-E206 WeakPolarHBondContact O-CB 3.29Å; S203-E206 PolarHBondContact O-N 3.21Å; S203-W207 VanDerWaalsContact O-CD1 3.22Å; S203-W207 PolarHBondContact O-N 3.38Å
204	C	91	Very high	90.6	Very high	22 Å²	22	35.8 Å²	35.8	15%	0.149	18%	0.183	C	C	.	.	H	α-helix	trans	-59.8	-48.9	176.2	179.7	0	0	0	0	111.4	L143 T200 L201 V202 E206 W207 L208	L143-C204 HydrophobicContact CD2-CB 3.96Å; L143-C204 VanDerWaalsContact CD2-SG 3.6Å; T200-C204 PolarHBondContact O-N 2.94Å; L201-C204 WeakPolarHBondContact O-CB 3.5Å; L201-C204 PolarHBondContact O-N 3.07Å; V202-C204 VanDerWaalsContact C-N 3.35Å; V202-C204 PolarHBondContact O-N 2.91Å; C204-E206 VanDerWaalsContact C-N 3.31Å; C204-E206 PolarHBondContact O-N 2.91Å; C204-W207 PolarHBondContact O-N 3.06Å; C204-L208 WeakPolarHBondContact O-CB 3.48Å; C204-L208 WeakPolarHBondContact O-CG 3.32Å; C204-L208 PolarHBondContact O-N 3.29Å
205	V	92.5	Very high	91	Very high	76 Å²	76	33.7 Å²	33.7	46%	0.461	17%	0.172	S	C	.	.	H	α-helix	trans	-64.1	-38.1	179.8	-179.6	0	0	0	0	110.9	I66 L201 V202 A209	I66-V205 HydrophobicContact CD1-CG1 4.18Å; I66-V205 HydrophobicContact CG2-CB 4.2Å; I66-V205 HydrophobicContact CG2-CG1 3.78Å; L201-V205 VanDerWaalsContact O-CG2 3.28Å; L201-V205 WeakPolarHBondContact O-CG2 3.26Å; L201-V205 PolarHBondContact O-N 2.9Å; L201-V205 VanDerWaalsContact O-N 3.08Å; V202-V205 PolarHBondContact O-N 2.85Å; V205-A209 VanDerWaalsContact O-CB 3.26Å; V205-A209 WeakPolarHBondContact O-CB 3.46Å; V205-A209 PolarHBondContact O-N 3.39Å
206	E	90.9	Very high	91.2	Very high	26 Å²	26	38.7 Å²	38.7	12%	0.121	19%	0.194	C	C	.	.	H	α-helix	trans	-59.3	-55	174.8	177.6	-165.3	173.7	0	0	111.8	L67 V202 S203 C204 L208 A209 A210	L67-E206 HydrophobicContact CD1-CG 4.13Å; L67-E206 HydrophobicContact CD2-CG 4.35Å; L67-E206 WeakPolarHBondContact CD2-OE1 3.33Å; L67-E206 HydrophobicContact CG-CG 4.01Å; V202-E206 WeakPolarHBondContact O-CB 2.98Å; V202-E206 PolarHBondContact O-N 3.32Å; S203-E206 WeakPolarHBondContact O-CB 3.29Å; S203-E206 PolarHBondContact O-N 3.21Å; C204-E206 VanDerWaalsContact C-N 3.31Å; C204-E206 PolarHBondContact O-N 2.91Å; E206-L208 VanDerWaalsContact C-N 3.31Å; E206-L208 PolarHBondContact O-N 3.5Å; E206-A209 WeakPolarHBondContact O-CB 3.45Å; E206-A209 PolarHBondContact O-N 3.11Å; E206-A209 VanDerWaalsContact O-N 3.15Å; E206-A210 PolarHBondContact O-N 3.47Å
207	W	91.1	Very high	91.5	Very high	48 Å²	48	38.6 Å²	38.6	18%	0.182	19%	0.193	C	C	.	.	H	α-helix	trans	-65.1	-35.5	-177.8	-79.4	102.8	0	0	0	112.3	M137 L141 L144 S203 C204 A210 A211 F234 A238	M137-W207 PolarHBondContact O-NE1 3.16Å; M137-W207 VanDerWaalsContact O-NE1 3.16Å; L141-W207 HydrophobicContact CB-CD2 4.11Å; L141-W207 HydrophobicContact CB-CG 4.39Å; L141-W207 HydrophobicContact CB-CZ2 4.07Å; L141-W207 HydrophobicContact CD1-CD2 4.34Å; L141-W207 HydrophobicContact CD1-CE3 4.22Å; L141-W207 HydrophobicContact CD1-CZ3 4.36Å; L141-W207 HydrophobicContact CD2-CH2 4.12Å; L141-W207 HydrophobicContact CD2-CZ2 4.06Å; L141-W207 VanDerWaalsContact N-CD1 3.33Å; L144-W207 HydrophobicContact CD1-CB 3.58Å; S203-W207 VanDerWaalsContact O-CD1 3.22Å; S203-W207 PolarHBondContact O-N 3.38Å; C204-W207 PolarHBondContact O-N 3.06Å; W207-A210 PolarHBondContact O-N 2.96Å; W207-A211 WeakPolarHBondContact O-CB 3.1Å; W207-A211 PolarHBondContact O-N 3.44Å; W207-F234 AromaticContact CE3-CE1 3.86Å; W207-F234 HydrophobicContact CE3-CE1 3.86Å; W207-F234 AromaticContact CE3-CZ 3.94Å; W207-F234 HydrophobicContact CE3-CZ 3.94Å; W207-F234 HydrophobicContact CZ3-CE1 4.38Å; W207-F234 HydrophobicContact CZ3-CZ 4.21Å; W207-A238 HydrophobicContact CE3-CB 4.25Å; W207-A238 HydrophobicContact CH2-CB 3.99Å; W207-A238 HydrophobicContact CZ3-CB 3.47Å; W207-A238 VanDerWaalsContact CZ3-CB 3.47Å
208	L	90.4	Very high	91.7	Very high	63 Å²	63	35.8 Å²	35.8	33%	0.33	18%	0.178	S	C	.	.	H	α-helix	trans	-65	-44	171.5	-75.6	172.2	0	0	0	111.8	L144 C204 E206 A210 A211 V212	L144-L208 HydrophobicContact CD2-CD2 3.85Å; L144-L208 HydrophobicContact CD2-CG 4.24Å; C204-L208 WeakPolarHBondContact O-CB 3.48Å; C204-L208 WeakPolarHBondContact O-CG 3.32Å; C204-L208 PolarHBondContact O-N 3.29Å; E206-L208 VanDerWaalsContact C-N 3.31Å; E206-L208 PolarHBondContact O-N 3.5Å; L208-A210 VanDerWaalsContact C-N 3.32Å; L208-A210 PolarHBondContact O-N 3.3Å; L208-A211 WeakPolarHBondContact O-CB 3.46Å; L208-A211 PolarHBondContact O-N 3.47Å; L208-V212 WeakPolarHBondContact O-CB 3.43Å; L208-V212 VanDerWaalsContact O-CG2 3.27Å; L208-V212 WeakPolarHBondContact O-CG2 3.49Å; L208-V212 PolarHBondContact O-N 3.02Å
209	A	91.5	Very high	91.7	Very high	18 Å²	18	33.6 Å²	33.6	15%	0.149	18%	0.177	C	C	.	.	H	α-helix	trans	-61.6	-42	176.9	0	0	0	0	0	111.4	I66 V205 E206 V212 V213	I66-A209 HydrophobicContact CD1-CB 3.48Å; I66-A209 VanDerWaalsContact CD1-CB 3.48Å; V205-A209 VanDerWaalsContact O-CB 3.26Å; V205-A209 WeakPolarHBondContact O-CB 3.46Å; V205-A209 PolarHBondContact O-N 3.39Å; E206-A209 WeakPolarHBondContact O-CB 3.45Å; E206-A209 PolarHBondContact O-N 3.11Å; E206-A209 VanDerWaalsContact O-N 3.15Å; A209-V212 PolarHBondContact O-N 3.47Å; A209-V213 WeakPolarHBondContact O-CG2 3.47Å; A209-V213 PolarHBondContact O-N 2.93Å
210	A	90.4	Very high	91.7	Very high	2 Å²	2	35.3 Å²	35.3	2%	0.017	19%	0.186	C	C	.	.	H	α-helix	trans	-60.4	-44.5	173.9	0	0	0	0	0	112.1	E206 W207 L208 V212 V213 L214 F234 Y282	E206-A210 PolarHBondContact O-N 3.47Å; W207-A210 PolarHBondContact O-N 2.96Å; L208-A210 VanDerWaalsContact C-N 3.32Å; L208-A210 PolarHBondContact O-N 3.3Å; A210-V212 PolarHBondContact O-N 3.4Å; A210-V213 PolarHBondContact O-N 3.21Å; A210-L214 PolarHBondContact O-N 2.86Å; A210-L214 VanDerWaalsContact O-N 3.17Å; A210-F234 HydrophobicContact CB-CE2 4.39Å; A210-F234 HydrophobicContact CB-CZ 3.77Å; A210-Y282 HydrophobicContact CB-CE1 4.45Å; A210-Y282 HydrophobicContact CB-CE2 3.79Å
211	A	91.6	Very high	91.7	Very high	2 Å²	2	35.1 Å²	35.1	2%	0.017	19%	0.185	C	C	.	.	H	α-helix	trans	-61.8	-42.4	175.8	0	0	0	0	0	112.1	W207 L208 L214 Y215 F234	W207-A211 WeakPolarHBondContact O-CB 3.1Å; W207-A211 PolarHBondContact O-N 3.44Å; L208-A211 WeakPolarHBondContact O-CB 3.46Å; L208-A211 PolarHBondContact O-N 3.47Å; A211-L214 PolarHBondContact O-N 2.95Å; A211-Y215 WeakPolarHBondContact O-CB 3.37Å; A211-Y215 PolarHBondContact O-N 3.35Å; A211-F234 HydrophobicContact CB-CD1 3.54Å; A211-F234 HydrophobicContact CB-CD2 4.32Å; A211-F234 HydrophobicContact CB-CE1 3.67Å; A211-F234 HydrophobicContact CB-CE2 4.43Å; A211-F234 HydrophobicContact CB-CG 3.89Å; A211-F234 HydrophobicContact CB-CZ 4.13Å
212	V	91.8	Very high	91.5	Very high	50 Å²	50	34.1 Å²	34.1	30%	0.303	18%	0.18	S	C	.	.	H	α-helix	trans	-65.4	-39.2	178.6	168	0	0	0	0	111.6	L208 A209 A210 Y215 F216	L208-V212 WeakPolarHBondContact O-CB 3.43Å; L208-V212 VanDerWaalsContact O-CG2 3.27Å; L208-V212 WeakPolarHBondContact O-CG2 3.49Å; L208-V212 PolarHBondContact O-N 3.02Å; A209-V212 PolarHBondContact O-N 3.47Å; A210-V212 PolarHBondContact O-N 3.4Å; V212-Y215 WeakPolarHBondContact O-CB 3.49Å; V212-Y215 PolarHBondContact O-N 2.93Å; V212-F216 HydrophobicContact CG1-CD2 3.66Å; V212-F216 HydrophobicContact CG1-CE2 3.38Å; V212-F216 HydrophobicContact CG1-CZ 4.41Å; V212-F216 WeakPolarHBondContact O-CD2 3.4Å; V212-F216 PolarHBondContact O-N 3.09Å
213	V	92.5	Very high	91.2	Very high	9 Å²	9	33.9 Å²	33.9	6%	0.055	18%	0.18	C	C	.	.	H	α-helix	trans	-62.3	-44.8	174.9	173.9	0	0	0	0	110.5	L56 A209 A210 Y215 F216 C217 Y278 A281 Y282	L56-V213 HydrophobicContact CD1-CG1 4.21Å; A209-V213 WeakPolarHBondContact O-CG2 3.47Å; A209-V213 PolarHBondContact O-N 2.93Å; A210-V213 PolarHBondContact O-N 3.21Å; V213-Y215 VanDerWaalsContact C-N 3.32Å; V213-Y215 PolarHBondContact O-N 2.89Å; V213-F216 PolarHBondContact O-N 3.46Å; V213-C217 PolarHBondContact O-N 2.81Å; V213-C217 VanDerWaalsContact O-N 3.09Å; V213-C217 PolarHBondContact O-SG 2.92Å; V213-C217 VanDerWaalsContact O-SG 3.32Å; V213-Y278 HydrophobicContact CB-CE2 4.4Å; V213-Y278 HydrophobicContact CG1-CD2 4.02Å; V213-Y278 HydrophobicContact CG1-CE2 4.28Å; V213-A281 HydrophobicContact CG1-CB 4.34Å; V213-Y282 HydrophobicContact CB-CD2 4.49Å; V213-Y282 HydrophobicContact CG1-CD2 4.49Å; V213-Y282 HydrophobicContact CG2-CD2 4.44Å
214	L	93.1	Very high	90.5	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-63.5	-39.7	174.9	-173.4	65.2	0	0	0	111.3	A210 A211 F216 C217 G218 F230 F234 F253 V257 M274 Y278	A210-L214 PolarHBondContact O-N 2.86Å; A210-L214 VanDerWaalsContact O-N 3.17Å; A211-L214 PolarHBondContact O-N 2.95Å; L214-F216 PolarHBondContact O-N 2.81Å; L214-C217 WeakPolarHBondContact O-CA 3.15Å; L214-C217 VanDerWaalsContact O-CB 3.26Å; L214-C217 WeakPolarHBondContact O-CB 3.28Å; L214-C217 PolarHBondContact O-N 2.82Å; L214-C217 VanDerWaalsContact O-N 3.12Å; L214-G218 PolarHBondContact O-N 2.87Å; L214-F230 HydrophobicContact CB-CE1 3.97Å; L214-F230 HydrophobicContact CB-CZ 4.19Å; L214-F230 HydrophobicContact CD2-CE1 3.94Å; L214-F230 HydrophobicContact CD2-CZ 4.14Å; L214-F230 HydrophobicContact CG-CE1 3.79Å; L214-F230 HydrophobicContact CG-CZ 3.69Å; L214-F230 VanDerWaalsContact O-CZ 3.32Å; L214-F230 WeakPolarHBondContact O-CZ 3.33Å; L214-F234 HydrophobicContact CD2-CD2 3.7Å; L214-F234 HydrophobicContact CD2-CE2 4.46Å; L214-F253 HydrophobicContact CD2-CE1 4.45Å; L214-F253 HydrophobicContact CD2-CZ 4.05Å; L214-V257 HydrophobicContact CD2-CG2 4.42Å; L214-M274 HydrophobicContact CD1-CE 4.37Å; L214-M274 HydrophobicContact CD1-CG 4.02Å; L214-M274 HydrophobicContact CD1-SD 4.4Å; L214-Y278 HydrophobicContact CB-CD2 3.68Å; L214-Y278 HydrophobicContact CB-CE2 3.89Å; L214-Y278 HydrophobicContact CB-CG 4.28Å; L214-Y278 HydrophobicContact CD1-CD1 4.09Å; L214-Y278 HydrophobicContact CD1-CD2 3.87Å; L214-Y278 HydrophobicContact CD1-CG 3.56Å; L214-Y278 HydrophobicContact CG-CD2 4.33Å; L214-Y278 HydrophobicContact CG-CG 4.45Å
215	Y	93.1	Very high	90.2	Very high	69 Å²	69	41.6 Å²	41.6	27%	0.271	22%	0.215	S	C	.	.	H	α-helix	trans	-59.6	-44.9	175.8	179.6	-102.3	0	0	0	112.1	A211 V212 V213 C217 G218 V219 F227 F230	A211-Y215 WeakPolarHBondContact O-CB 3.37Å; A211-Y215 PolarHBondContact O-N 3.35Å; V212-Y215 WeakPolarHBondContact O-CB 3.49Å; V212-Y215 PolarHBondContact O-N 2.93Å; V213-Y215 VanDerWaalsContact C-N 3.32Å; V213-Y215 PolarHBondContact O-N 2.89Å; Y215-C217 VanDerWaalsContact C-N 3.3Å; Y215-C217 PolarHBondContact O-N 3.25Å; Y215-G218 WeakPolarHBondContact O-CA 3.32Å; Y215-G218 PolarHBondContact O-N 3.36Å; Y215-V219 HydrophobicContact CD1-CG2 4.23Å; Y215-V219 HydrophobicContact CE1-CG2 3.8Å; Y215-V219 WeakPolarHBondContact O-CG2 3.31Å; Y215-V219 PolarHBondContact O-N 3.32Å; Y215-F227 HydrophobicContact CD1-CD2 4.25Å; Y215-F227 HydrophobicContact CD1-CE2 4.42Å; Y215-F227 AromaticContact CD2-CD2 3.86Å; Y215-F227 HydrophobicContact CD2-CD2 3.86Å; Y215-F227 HydrophobicContact CE1-CD2 4.29Å; Y215-F227 HydrophobicContact CE2-CB 4.38Å; Y215-F227 AromaticContact CE2-CD2 3.91Å; Y215-F227 HydrophobicContact CE2-CD2 3.91Å; Y215-F227 HydrophobicContact CG-CD2 4.03Å; Y215-F227 HydrophobicContact CG-CE2 4.28Å; Y215-F230 VanDerWaalsContact CA-CE1 3.48Å; Y215-F230 HydrophobicContact CD2-CB 4.21Å; Y215-F230 HydrophobicContact CD2-CD1 4.11Å; Y215-F230 AromaticContact CD2-CD2 3.72Å; Y215-F230 HydrophobicContact CD2-CD2 3.72Å; Y215-F230 HydrophobicContact CD2-CE1 4.48Å; Y215-F230 HydrophobicContact CD2-CE2 4.13Å; Y215-F230 AromaticContact CD2-CG 3.74Å; Y215-F230 HydrophobicContact CD2-CG 3.74Å; Y215-F230 HydrophobicContact CD2-CZ 4.5Å; Y215-F230 HydrophobicContact CE2-CD2 4.42Å; Y215-F230 VanDerWaalsContact N-CE1 3.33Å
216	F	91.9	Very high	89.9	Confident	113 Å²	113	41.1 Å²	41.1	50%	0.496	22%	0.215	S	C	.	.	H	α-helix	trans	-61.4	-37.2	173.6	-79	-58.8	0	0	0	112.5	L56 V212 V213 L214 G218 V219 I220	L56-F216 HydrophobicContact CD1-CB 4.04Å; V212-F216 HydrophobicContact CG1-CD2 3.66Å; V212-F216 HydrophobicContact CG1-CE2 3.38Å; V212-F216 HydrophobicContact CG1-CZ 4.41Å; V212-F216 WeakPolarHBondContact O-CD2 3.4Å; V212-F216 PolarHBondContact O-N 3.09Å; V213-F216 PolarHBondContact O-N 3.46Å; L214-F216 PolarHBondContact O-N 2.81Å; F216-G218 VanDerWaalsContact C-N 3.29Å; F216-G218 PolarHBondContact O-N 2.79Å; F216-V219 PolarHBondContact O-N 3.05Å; F216-I220 WeakPolarHBondContact O-CB 3.33Å; F216-I220 VanDerWaalsContact O-CG1 3.22Å; F216-I220 WeakPolarHBondContact O-CG1 3.42Å; F216-I220 PolarHBondContact O-N 3.43Å
217	C	92.9	Very high	89.7	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-58.2	-43.9	170.7	-61.3	0	0	0	0	111.2	V213 L214 Y215 I220 V221 M274 L277 Y278	V213-C217 PolarHBondContact O-N 2.81Å; V213-C217 VanDerWaalsContact O-N 3.09Å; V213-C217 PolarHBondContact O-SG 2.92Å; V213-C217 VanDerWaalsContact O-SG 3.32Å; L214-C217 WeakPolarHBondContact O-CA 3.15Å; L214-C217 VanDerWaalsContact O-CB 3.26Å; L214-C217 WeakPolarHBondContact O-CB 3.28Å; L214-C217 PolarHBondContact O-N 2.82Å; L214-C217 VanDerWaalsContact O-N 3.12Å; Y215-C217 VanDerWaalsContact C-N 3.3Å; Y215-C217 PolarHBondContact O-N 3.25Å; C217-I220 PolarHBondContact O-N 3.45Å; C217-V221 WeakPolarHBondContact O-CG2 3.49Å; C217-V221 PolarHBondContact O-N 3.25Å; C217-M274 HydrophobicContact CB-CB 4.4Å; C217-M274 HydrophobicContact CB-CG 3.56Å; C217-L277 HydrophobicContact CB-CB 4.36Å; C217-Y278 PolarHBondContact SG-N 2.66Å
218	G	92	Very high	89.4	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.01	24%	0.242	C	C	.	.	H	α-helix	trans	-60.1	-43.8	177.2	0	0	0	0	0	112.9	L214 Y215 F216 I220 V221 D222 A223 M274	L214-G218 PolarHBondContact O-N 2.87Å; Y215-G218 WeakPolarHBondContact O-CA 3.32Å; Y215-G218 PolarHBondContact O-N 3.36Å; F216-G218 VanDerWaalsContact C-N 3.29Å; F216-G218 PolarHBondContact O-N 2.79Å; G218-I220 VanDerWaalsContact C-N 3.33Å; G218-I220 PolarHBondContact O-N 3.28Å; G218-V221 WeakPolarHBondContact O-CG2 3.28Å; G218-V221 PolarHBondContact O-N 2.67Å; G218-D222 PolarHBondContact O-N 2.88Å; G218-A223 WeakPolarHBondContact O-CB 3.4Å; G218-A223 PolarHBondContact O-N 2.65Å; G218-M274 WeakPolarHBondContact CA-SD 3.43Å
219	V	91	Very high	89.1	Confident	77 Å²	77	45 Å²	45	47%	0.467	24%	0.237	S	C	.	.	H	α-helix	trans	-62.4	-41.2	174.7	175.2	0	0	0	0	111.3	Y215 F216 V221 D222	Y215-V219 HydrophobicContact CD1-CG2 4.23Å; Y215-V219 HydrophobicContact CE1-CG2 3.8Å; Y215-V219 WeakPolarHBondContact O-CG2 3.31Å; Y215-V219 PolarHBondContact O-N 3.32Å; F216-V219 PolarHBondContact O-N 3.05Å; V219-V221 VanDerWaalsContact C-N 3.33Å; V219-V221 PolarHBondContact O-N 3.48Å; V219-D222 PolarHBondContact O-N 3.25Å; V219-D222 VanDerWaalsContact O-N 3.15Å
220	I	91.2	Very high	89.1	Confident	36 Å²	36	44.3 Å²	44.3	19%	0.185	23%	0.231	C	C	.	.	H	α-helix	trans	-65.5	-35.6	-179.4	-73.6	168.2	0	0	0	112.2	I48 L56 F216 C217 G218 D222 L277	I48-I220 HydrophobicContact CB-CG2 4.39Å; I48-I220 HydrophobicContact CD1-CG2 3.9Å; I48-I220 HydrophobicContact CG1-CG2 4.06Å; I48-I220 HydrophobicContact CG2-CG2 3.45Å; I48-I220 VanDerWaalsContact CG2-CG2 3.45Å; L56-I220 HydrophobicContact CB-CD1 3.83Å; L56-I220 HydrophobicContact CD1-CD1 4.31Å; L56-I220 HydrophobicContact CD2-CD1 3.97Å; L56-I220 HydrophobicContact CG-CD1 4.24Å; F216-I220 WeakPolarHBondContact O-CB 3.33Å; F216-I220 VanDerWaalsContact O-CG1 3.22Å; F216-I220 WeakPolarHBondContact O-CG1 3.42Å; F216-I220 PolarHBondContact O-N 3.43Å; C217-I220 PolarHBondContact O-N 3.45Å; G218-I220 VanDerWaalsContact C-N 3.33Å; G218-I220 PolarHBondContact O-N 3.28Å; I220-D222 VanDerWaalsContact C-N 3.27Å; I220-L277 HydrophobicContact CG2-CD1 4.18Å
221	V	90.6	Very high	89	Confident	6 Å²	6	44.4 Å²	44.4	4%	0.036	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	9.1	176.6	-56.5	0	0	0	0	113.1	I48 C217 G218 V219 A223 K270 L273 M274 L277	I48-V221 HydrophobicContact CD1-CG1 4.41Å; C217-V221 WeakPolarHBondContact O-CG2 3.49Å; C217-V221 PolarHBondContact O-N 3.25Å; G218-V221 WeakPolarHBondContact O-CG2 3.28Å; G218-V221 PolarHBondContact O-N 2.67Å; V219-V221 VanDerWaalsContact C-N 3.33Å; V219-V221 PolarHBondContact O-N 3.48Å; V221-A223 VanDerWaalsContact C-N 3.33Å; V221-A223 HydrophobicContact CG2-CB 3.97Å; V221-A223 PolarHBondContact O-N 2.86Å; V221-K270 HydrophobicContact CG2-CB 4.35Å; V221-K270 VanDerWaalsContact O-CD 3.25Å; V221-K270 WeakPolarHBondContact O-CD 3.43Å; V221-K270 WeakPolarHBondContact O-CE 3.02Å; V221-K270 PolarHBondContact O-NZ 2.89Å; V221-L273 HydrophobicContact CG1-CB 4.08Å; V221-L273 HydrophobicContact CG1-CD2 3.88Å; V221-L273 HydrophobicContact CG1-CG 3.76Å; V221-M274 HydrophobicContact CG1-CB 4.46Å; V221-M274 HydrophobicContact CG2-CB 3.92Å; V221-L277 HydrophobicContact CG1-CD1 3.96Å
222	D	88.1	Confident	88.9	Confident	83 Å²	83	44.4 Å²	44.4	44%	0.444	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	44.3	178	-166.9	57	0	0	0	112.3	G218 V219 I220 H224 K270	G218-D222 PolarHBondContact O-N 2.88Å; V219-D222 PolarHBondContact O-N 3.25Å; V219-D222 VanDerWaalsContact O-N 3.15Å; I220-D222 VanDerWaalsContact C-N 3.27Å; D222-H224 IonicContact OD1-CD2 2.97Å; D222-H224 IonicContact OD1-CE1 3.97Å; D222-H224 PolarHBondContact OD1-CE1 2.79Å; D222-H224 IonicContact OD1-ND1 3.92Å; D222-H224 IonicContact OD1-NE2 3.59Å; D222-H224 PolarHBondContact OD1-NE2 3.07Å; D222-K270 PolarHBondContact O-NZ 3.36Å; D222-K270 IonicContact OD2-NZ 2.99Å; D222-K270 PolarHBondContact OD2-NZ 3.49Å
223	A	85.7	Confident	88.8	Confident	10 Å²	10	42 Å²	42	8%	0.083	22%	0.216	C	C	.	.			trans	-96.9	87.4	172.1	0	0	0	0	0	109.3	G218 V221 V225 V266	G218-A223 WeakPolarHBondContact O-CB 3.4Å; G218-A223 PolarHBondContact O-N 2.65Å; V221-A223 VanDerWaalsContact C-N 3.33Å; V221-A223 HydrophobicContact CG2-CB 3.97Å; V221-A223 PolarHBondContact O-N 2.86Å; A223-V225 PolarHBondContact O-N 2.81Å; A223-V266 HydrophobicContact CB-CG1 3.86Å
224	H	78.2	Confident	88.8	Confident	162 Å²	162	41.7 Å²	41.7	75%	0.75	21%	0.214	S	C	*	.			trans	-73.9	92.6	-179	-59.3	-48.7	0	0	0	111.8	D222	D222-H224 IonicContact OD1-CD2 2.97Å; D222-H224 IonicContact OD1-CE1 3.97Å; D222-H224 PolarHBondContact OD1-CE1 2.79Å; D222-H224 IonicContact OD1-ND1 3.92Å; D222-H224 IonicContact OD1-NE2 3.59Å; D222-H224 PolarHBondContact OD1-NE2 3.07Å
225	V	83.9	Confident	88.7	Confident	22 Å²	22	41.7 Å²	41.7	13%	0.133	21%	0.214	C	C	.	.			trans	-123.9	143.9	173.7	176.2	0	0	0	0	109.4	A223 F227 F261 L264 V266	A223-V225 PolarHBondContact O-N 2.81Å; V225-F227 PolarHBondContact O-N 3.19Å; V225-F261 HydrophobicContact CB-CE1 4Å; V225-F261 HydrophobicContact CG1-CE1 4.19Å; V225-F261 HydrophobicContact CG2-CD1 3.83Å; V225-F261 HydrophobicContact CG2-CE1 3.72Å; V225-L264 HydrophobicContact CB-CD1 4.48Å; V225-L264 HydrophobicContact CG1-CD1 3.49Å; V225-L264 VanDerWaalsContact CG1-CD1 3.49Å; V225-L264 HydrophobicContact CG2-CD1 4.12Å; V225-V266 HydrophobicContact CG2-CG2 3.72Å
226	S	86.8	Confident	88.5	Confident	66 Å²	66	38.4 Å²	38.4	46%	0.462	20%	0.201	S	C	.	.			trans	-57.2	139.1	175	92	0	0	0	0	110.4	M228 S229 F230	S226-M228 PolarHBondContact O-N 2.8Å; S226-S229 PolarHBondContact O-N 2.89Å; S226-S229 WeakPolarHBondContact OG-CB 3.36Å; S226-S229 PolarHBondContact OG-N 3.43Å; S226-S229 PolarHBondContact OG-OG 3.18Å; S226-F230 WeakPolarHBondContact O-CB 3.48Å; S226-F230 PolarHBondContact O-N 3.23Å
227	F	85.2	Confident	88.5	Confident	85 Å²	85	33 Å²	33	37%	0.373	18%	0.178	S	C	.	.	H	α-helix	trans	-57.1	-34.6	-179.4	-178.2	-108.5	0	0	0	112.5	Y215 V225 F230 I231	Y215-F227 HydrophobicContact CD1-CD2 4.25Å; Y215-F227 HydrophobicContact CD1-CE2 4.42Å; Y215-F227 AromaticContact CD2-CD2 3.86Å; Y215-F227 HydrophobicContact CD2-CD2 3.86Å; Y215-F227 HydrophobicContact CE1-CD2 4.29Å; Y215-F227 HydrophobicContact CE2-CB 4.38Å; Y215-F227 AromaticContact CE2-CD2 3.91Å; Y215-F227 HydrophobicContact CE2-CD2 3.91Å; Y215-F227 HydrophobicContact CG-CD2 4.03Å; Y215-F227 HydrophobicContact CG-CE2 4.28Å; V225-F227 PolarHBondContact O-N 3.19Å; F227-F230 WeakPolarHBondContact O-CB 3.14Å; F227-F230 PolarHBondContact O-N 2.84Å; F227-I231 HydrophobicContact CD1-CD1 3.89Å; F227-I231 HydrophobicContact CE1-CD1 3.24Å; F227-I231 HydrophobicContact CE1-CG1 4.23Å; F227-I231 HydrophobicContact CE2-CD1 3.98Å; F227-I231 HydrophobicContact CE2-CG1 4.29Å; F227-I231 HydrophobicContact CZ-CD1 3.31Å; F227-I231 HydrophobicContact CZ-CG1 4.1Å; F227-I231 PolarHBondContact O-N 3.08Å
228	M	84.9	Confident	88.3	Confident	101 Å²	101	33.2 Å²	33.2	50%	0.498	18%	0.18	S	C	.	.	H	α-helix	trans	-66.3	-46.5	178.8	-60.1	-51.8	-164	0	0	112	F153 S226 F230 I231 A232	F153-M228 HydrophobicContact CD1-CB 4.44Å; F153-M228 HydrophobicContact CD1-SD 3.58Å; F153-M228 VanDerWaalsContact CD1-SD 3.58Å; F153-M228 HydrophobicContact CE1-CE 4.46Å; F153-M228 HydrophobicContact CE1-SD 3.47Å; F153-M228 WeakPolarHBondContact CE1-SD 3.34Å; S226-M228 PolarHBondContact O-N 2.8Å; M228-F230 VanDerWaalsContact C-N 3.29Å; M228-F230 PolarHBondContact O-N 3.27Å; M228-I231 PolarHBondContact O-N 3.04Å; M228-A232 PolarHBondContact O-N 2.92Å; M228-A232 VanDerWaalsContact O-N 3.09Å
229	S	85.4	Confident	88.1	Confident	34 Å²	34	33.3 Å²	33.3	24%	0.238	18%	0.18	C	C	.	.	H	α-helix	trans	-65	-36.4	175.8	-52.2	0	0	0	0	111.5	S226 A232 I233	S226-S229 PolarHBondContact O-N 2.89Å; S226-S229 WeakPolarHBondContact OG-CB 3.36Å; S226-S229 PolarHBondContact OG-N 3.43Å; S226-S229 PolarHBondContact OG-OG 3.18Å; S229-A232 PolarHBondContact O-N 2.89Å; S229-I233 WeakPolarHBondContact O-CG1 3.39Å; S229-I233 PolarHBondContact O-N 3.42Å
230	F	89.9	Confident	87.8	Confident	2 Å²	2	30.4 Å²	30.4	1%	0.009	16%	0.163	C	C	.	.	H	α-helix	trans	-61.2	-51	177.5	-163	-73.9	0	0	0	111.9	L214 Y215 S226 F227 M228 A232 I233 F234 F261 M274	L214-F230 HydrophobicContact CB-CE1 3.97Å; L214-F230 HydrophobicContact CB-CZ 4.19Å; L214-F230 HydrophobicContact CD2-CE1 3.94Å; L214-F230 HydrophobicContact CD2-CZ 4.14Å; L214-F230 HydrophobicContact CG-CE1 3.79Å; L214-F230 HydrophobicContact CG-CZ 3.69Å; L214-F230 VanDerWaalsContact O-CZ 3.32Å; L214-F230 WeakPolarHBondContact O-CZ 3.33Å; Y215-F230 VanDerWaalsContact CA-CE1 3.48Å; Y215-F230 HydrophobicContact CD2-CB 4.21Å; Y215-F230 HydrophobicContact CD2-CD1 4.11Å; Y215-F230 AromaticContact CD2-CD2 3.72Å; Y215-F230 HydrophobicContact CD2-CD2 3.72Å; Y215-F230 HydrophobicContact CD2-CE1 4.48Å; Y215-F230 HydrophobicContact CD2-CE2 4.13Å; Y215-F230 AromaticContact CD2-CG 3.74Å; Y215-F230 HydrophobicContact CD2-CG 3.74Å; Y215-F230 HydrophobicContact CD2-CZ 4.5Å; Y215-F230 HydrophobicContact CE2-CD2 4.42Å; Y215-F230 VanDerWaalsContact N-CE1 3.33Å; S226-F230 WeakPolarHBondContact O-CB 3.48Å; S226-F230 PolarHBondContact O-N 3.23Å; F227-F230 WeakPolarHBondContact O-CB 3.14Å; F227-F230 PolarHBondContact O-N 2.84Å; M228-F230 VanDerWaalsContact C-N 3.29Å; M228-F230 PolarHBondContact O-N 3.27Å; F230-A232 VanDerWaalsContact C-N 3.3Å; F230-A232 PolarHBondContact O-N 3.15Å; F230-I233 PolarHBondContact O-N 3.42Å; F230-F234 PolarHBondContact O-N 2.92Å; F230-F261 AromaticContact CD2-CE1 3.68Å; F230-F261 HydrophobicContact CD2-CE1 3.68Å; F230-F261 AromaticContact CD2-CZ 3.31Å; F230-F261 HydrophobicContact CD2-CZ 3.31Å; F230-F261 AromaticContact CE2-CE1 3.76Å; F230-F261 HydrophobicContact CE2-CE1 3.76Å; F230-F261 HydrophobicContact CE2-CE2 4.26Å; F230-F261 AromaticContact CE2-CZ 3.27Å; F230-F261 HydrophobicContact CE2-CZ 3.27Å; F230-F261 AromaticContact CG-CZ 3.95Å; F230-F261 HydrophobicContact CG-CZ 3.95Å; F230-F261 AromaticContact CZ-CZ 3.88Å; F230-F261 HydrophobicContact CZ-CZ 3.88Å; F230-M274 HydrophobicContact CE2-SD 3.98Å; F230-M274 HydrophobicContact CZ-SD 4Å
231	I	89.4	Confident	87.4	Confident	5 Å²	5	29 Å²	29	3%	0.026	16%	0.157	C	C	.	.	H	α-helix	trans	-60.7	-42	177.5	-78.2	-176.1	0	0	0	110.8	F153 F227 M228 I233 F234 I235	F153-I231 HydrophobicContact CD1-CG2 4.36Å; F153-I231 HydrophobicContact CD2-CG2 4Å; F153-I231 HydrophobicContact CE1-CD1 4.5Å; F153-I231 HydrophobicContact CE1-CG2 4.23Å; F153-I231 HydrophobicContact CE2-CG2 3.85Å; F153-I231 HydrophobicContact CG-CG2 4.26Å; F153-I231 HydrophobicContact CZ-CD1 4.42Å; F153-I231 HydrophobicContact CZ-CG2 3.98Å; F227-I231 HydrophobicContact CD1-CD1 3.89Å; F227-I231 HydrophobicContact CE1-CD1 3.24Å; F227-I231 HydrophobicContact CE1-CG1 4.23Å; F227-I231 HydrophobicContact CE2-CD1 3.98Å; F227-I231 HydrophobicContact CE2-CG1 4.29Å; F227-I231 HydrophobicContact CZ-CD1 3.31Å; F227-I231 HydrophobicContact CZ-CG1 4.1Å; F227-I231 PolarHBondContact O-N 3.08Å; M228-I231 PolarHBondContact O-N 3.04Å; I231-I233 PolarHBondContact O-N 3.21Å; I231-F234 PolarHBondContact O-N 3.21Å; I231-I235 HydrophobicContact CG2-CD1 3.46Å; I231-I235 VanDerWaalsContact CG2-CD1 3.46Å; I231-I235 HydrophobicContact CG2-CG1 4.2Å; I231-I235 WeakPolarHBondContact O-CD1 3.2Å; I231-I235 VanDerWaalsContact O-CG1 3.24Å; I231-I235 WeakPolarHBondContact O-CG1 3.26Å; I231-I235 PolarHBondContact O-N 2.76Å
232	A	89.2	Confident	87	Confident	1 Å²	1	32 Å²	32	1%	0.008	17%	0.173	C	C	.	.	H	α-helix	trans	-58.8	-47	177	0	0	0	0	0	112.2	A155 M228 S229 F230 F234 I235 I236	A155-A232 HydrophobicContact CB-CB 3.85Å; M228-A232 PolarHBondContact O-N 2.92Å; M228-A232 VanDerWaalsContact O-N 3.09Å; S229-A232 PolarHBondContact O-N 2.89Å; F230-A232 VanDerWaalsContact C-N 3.3Å; F230-A232 PolarHBondContact O-N 3.15Å; A232-F234 PolarHBondContact O-N 2.98Å; A232-I235 PolarHBondContact O-N 2.83Å; A232-I236 WeakPolarHBondContact O-CG1 3.38Å; A232-I236 PolarHBondContact O-N 2.82Å; A232-I236 VanDerWaalsContact O-N 3.1Å
233	I	90.3	Very high	86.6	Confident	1 Å²	1	31.1 Å²	31.1	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-58.8	-48	174.5	-68.5	162.5	0	0	0	110.4	I158 S229 F230 I231 I235 I236 A237 V257 F261 L264	I158-I233 HydrophobicContact CD1-CB 4.24Å; I158-I233 HydrophobicContact CD1-CD1 4.34Å; I158-I233 HydrophobicContact CD1-CG1 3.28Å; S229-I233 WeakPolarHBondContact O-CG1 3.39Å; S229-I233 PolarHBondContact O-N 3.42Å; F230-I233 PolarHBondContact O-N 3.42Å; I231-I233 PolarHBondContact O-N 3.21Å; I233-I235 PolarHBondContact O-N 3.39Å; I233-I236 PolarHBondContact O-N 3.28Å; I233-A237 VanDerWaalsContact O-CB 3.29Å; I233-A237 WeakPolarHBondContact O-CB 3.5Å; I233-A237 PolarHBondContact O-N 2.86Å; I233-V257 HydrophobicContact CG2-CG2 4.46Å; I233-F261 HydrophobicContact CB-CE2 4.21Å; I233-F261 HydrophobicContact CD1-CD1 4.36Å; I233-F261 HydrophobicContact CD1-CD2 4Å; I233-F261 HydrophobicContact CD1-CE1 4.23Å; I233-F261 HydrophobicContact CD1-CE2 3.84Å; I233-F261 HydrophobicContact CD1-CG 4.23Å; I233-F261 HydrophobicContact CD1-CZ 3.94Å; I233-F261 HydrophobicContact CG2-CD2 4.01Å; I233-F261 HydrophobicContact CG2-CE2 3.7Å; I233-L264 HydrophobicContact CD1-CD1 3.6Å; I233-L264 HydrophobicContact CD1-CG 4.5Å
234	F	92.2	Very high	86.2	Confident	1 Å²	1	31.2 Å²	31.2	0%	0.004	17%	0.17	C	C	.	.	H	α-helix	trans	-58.8	-45.7	-179	174.3	-94.2	0	0	0	112.2	W207 A210 A211 L214 F230 I231 A232 A237 A238 F253	W207-F234 AromaticContact CE3-CE1 3.86Å; W207-F234 HydrophobicContact CE3-CE1 3.86Å; W207-F234 AromaticContact CE3-CZ 3.94Å; W207-F234 HydrophobicContact CE3-CZ 3.94Å; W207-F234 HydrophobicContact CZ3-CE1 4.38Å; W207-F234 HydrophobicContact CZ3-CZ 4.21Å; A210-F234 HydrophobicContact CB-CE2 4.39Å; A210-F234 HydrophobicContact CB-CZ 3.77Å; A211-F234 HydrophobicContact CB-CD1 3.54Å; A211-F234 HydrophobicContact CB-CD2 4.32Å; A211-F234 HydrophobicContact CB-CE1 3.67Å; A211-F234 HydrophobicContact CB-CE2 4.43Å; A211-F234 HydrophobicContact CB-CG 3.89Å; A211-F234 HydrophobicContact CB-CZ 4.13Å; L214-F234 HydrophobicContact CD2-CD2 3.7Å; L214-F234 HydrophobicContact CD2-CE2 4.46Å; F230-F234 PolarHBondContact O-N 2.92Å; I231-F234 PolarHBondContact O-N 3.21Å; A232-F234 PolarHBondContact O-N 2.98Å; F234-A237 PolarHBondContact O-N 3.45Å; F234-A238 VanDerWaalsContact O-CB 3.29Å; F234-A238 WeakPolarHBondContact O-CB 3.42Å; F234-A238 PolarHBondContact O-N 2.88Å; F234-F253 HydrophobicContact CD2-CE2 4.02Å; F234-F253 AromaticContact CD2-CZ 3.83Å; F234-F253 HydrophobicContact CD2-CZ 3.83Å; F234-F253 AromaticContact CE2-CE2 3.99Å; F234-F253 HydrophobicContact CE2-CE2 3.99Å; F234-F253 AromaticContact CE2-CZ 3.87Å; F234-F253 HydrophobicContact CE2-CZ 3.87Å
235	I	91.3	Very high	85.9	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-64.1	-45.7	-180	-65.3	160.8	0	0	0	110.4	L141 L144 I148 F153 I231 A232 I233 A237 A238 L239	L141-I235 HydrophobicContact CD1-CG2 4.17Å; L144-I235 HydrophobicContact CB-CD1 3.72Å; L144-I235 HydrophobicContact CB-CG1 3.9Å; L144-I235 HydrophobicContact CD1-CG1 4.28Å; I148-I235 HydrophobicContact CD1-CB 3.71Å; I148-I235 HydrophobicContact CD1-CD1 3.72Å; I148-I235 HydrophobicContact CD1-CG1 4.34Å; I148-I235 HydrophobicContact CD1-CG2 3.52Å; I148-I235 HydrophobicContact CG1-CD1 4.08Å; F153-I235 HydrophobicContact CD2-CD1 4.3Å; I231-I235 HydrophobicContact CG2-CD1 3.46Å; I231-I235 VanDerWaalsContact CG2-CD1 3.46Å; I231-I235 HydrophobicContact CG2-CG1 4.2Å; I231-I235 WeakPolarHBondContact O-CD1 3.2Å; I231-I235 VanDerWaalsContact O-CG1 3.24Å; I231-I235 WeakPolarHBondContact O-CG1 3.26Å; I231-I235 PolarHBondContact O-N 2.76Å; A232-I235 PolarHBondContact O-N 2.83Å; I233-I235 PolarHBondContact O-N 3.39Å; I235-A237 VanDerWaalsContact C-N 3.32Å; I235-A237 PolarHBondContact O-N 2.91Å; I235-A238 PolarHBondContact O-N 2.89Å; I235-L239 HydrophobicContact CG2-CD1 4.17Å; I235-L239 HydrophobicContact CG2-CG 4.49Å; I235-L239 VanDerWaalsContact O-CG 3.3Å; I235-L239 WeakPolarHBondContact O-CG 3.46Å; I235-L239 PolarHBondContact O-N 3Å
236	I	89.4	Confident	85.2	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-63.6	-40.4	178.2	-67.1	171.3	0	0	0	110.9	A155 I158 L159 V165 A232 I233 L239 S240 V256	A155-I236 HydrophobicContact CB-CD1 3.98Å; I158-I236 HydrophobicContact CB-CD1 3.97Å; I158-I236 HydrophobicContact CD1-CD1 4.35Å; I158-I236 HydrophobicContact CG2-CD1 3.77Å; I158-I236 HydrophobicContact CG2-CG2 4.19Å; L159-I236 HydrophobicContact CD2-CD1 4.06Å; L159-I236 HydrophobicContact CG-CD1 4.24Å; V165-I236 HydrophobicContact CG1-CB 4.48Å; V165-I236 HydrophobicContact CG1-CG1 4.19Å; V165-I236 HydrophobicContact CG1-CG2 3.69Å; V165-I236 HydrophobicContact CG2-CG2 4.3Å; A232-I236 WeakPolarHBondContact O-CG1 3.38Å; A232-I236 PolarHBondContact O-N 2.82Å; A232-I236 VanDerWaalsContact O-N 3.1Å; I233-I236 PolarHBondContact O-N 3.28Å; I236-L239 PolarHBondContact O-N 3.14Å; I236-S240 PolarHBondContact O-N 2.84Å; I236-V256 HydrophobicContact CG2-CG1 3.83Å
237	A	90	Very high	84.1	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-64.3	-43	174.9	0	0	0	0	0	112.4	I233 F234 I235 S240 G241 F253 V256 V257	I233-A237 VanDerWaalsContact O-CB 3.29Å; I233-A237 WeakPolarHBondContact O-CB 3.5Å; I233-A237 PolarHBondContact O-N 2.86Å; F234-A237 PolarHBondContact O-N 3.45Å; I235-A237 VanDerWaalsContact C-N 3.32Å; I235-A237 PolarHBondContact O-N 2.91Å; A237-S240 PolarHBondContact O-N 3.15Å; A237-G241 PolarHBondContact O-N 3.06Å; A237-F253 VanDerWaalsContact C-CD2 3.43Å; A237-F253 HydrophobicContact CB-CD2 3.61Å; A237-F253 HydrophobicContact CB-CE2 3.69Å; A237-F253 HydrophobicContact CB-CG 4.2Å; A237-F253 HydrophobicContact CB-CZ 4.34Å; A237-F253 WeakPolarHBondContact O-CD2 3.46Å; A237-V256 HydrophobicContact CB-CB 3.93Å; A237-V256 HydrophobicContact CB-CG1 3.79Å; A237-V257 HydrophobicContact CB-CG2 3.59Å
238	A	89.5	Confident	83.2	Confident	5 Å²	5	28.7 Å²	28.7	4%	0.041	16%	0.162	C	C	.	.	H	α-helix	trans	-62.6	-41.4	176.4	0	0	0	0	0	112.1	L141 W207 F234 I235 G241 L242 F253	L141-A238 HydrophobicContact CD1-CB 3.72Å; L141-A238 HydrophobicContact CD2-CB 4.23Å; W207-A238 HydrophobicContact CE3-CB 4.25Å; W207-A238 HydrophobicContact CH2-CB 3.99Å; W207-A238 HydrophobicContact CZ3-CB 3.47Å; W207-A238 VanDerWaalsContact CZ3-CB 3.47Å; F234-A238 VanDerWaalsContact O-CB 3.29Å; F234-A238 WeakPolarHBondContact O-CB 3.42Å; F234-A238 PolarHBondContact O-N 2.88Å; I235-A238 PolarHBondContact O-N 2.89Å; A238-G241 PolarHBondContact O-N 3.34Å; A238-L242 WeakPolarHBondContact O-CB 3.43Å; A238-L242 PolarHBondContact O-N 2.76Å; A238-F253 HydrophobicContact CB-CE2 4.41Å
239	L	88.3	Confident	82.6	Confident	2 Å²	2	24.3 Å²	24.3	1%	0.01	14%	0.143	C	C	.	.	H	α-helix	trans	-62.6	-45.1	174.1	-72	171.7	0	0	0	111.8	L141 V168 L169 V172 I235 I236 L242 V243	L141-L239 HydrophobicContact CD2-CD2 3.8Å; L141-L239 HydrophobicContact CD2-CG 4.29Å; L141-L239 HydrophobicContact CG-CD2 4Å; L141-L239 HydrophobicContact CG-CG 4.43Å; V168-L239 HydrophobicContact CG1-CB 4.38Å; V168-L239 HydrophobicContact CG1-CD2 4.49Å; L169-L239 HydrophobicContact CB-CD1 4.14Å; L169-L239 HydrophobicContact CD1-CD1 4.12Å; L169-L239 HydrophobicContact CG-CD1 4.27Å; V172-L239 HydrophobicContact CB-CD2 3.7Å; V172-L239 HydrophobicContact CG1-CD2 3.56Å; V172-L239 HydrophobicContact CG2-CD2 3.7Å; I235-L239 HydrophobicContact CG2-CD1 4.17Å; I235-L239 HydrophobicContact CG2-CG 4.49Å; I235-L239 VanDerWaalsContact O-CG 3.3Å; I235-L239 WeakPolarHBondContact O-CG 3.46Å; I235-L239 PolarHBondContact O-N 3Å; I236-L239 PolarHBondContact O-N 3.14Å; L239-L242 PolarHBondContact O-N 2.77Å; L239-V243 WeakPolarHBondContact O-CG2 3.18Å; L239-V243 PolarHBondContact O-N 3.01Å
240	S	85.2	Confident	82	Confident	16 Å²	16	28.1 Å²	28.1	11%	0.112	16%	0.155	C	C	.	.	H	α-helix	trans	-60.1	-46.1	175.4	-178.6	0	0	0	0	111.8	I236 A237 L242 V243 S244 A252 V256	I236-S240 PolarHBondContact O-N 2.84Å; A237-S240 PolarHBondContact O-N 3.15Å; S240-L242 VanDerWaalsContact C-N 3.33Å; S240-L242 PolarHBondContact O-N 3.31Å; S240-V243 PolarHBondContact O-N 3.35Å; S240-S244 WeakPolarHBondContact O-CB 3.46Å; S240-S244 PolarHBondContact O-N 3.2Å; S240-A252 PolarHBondContact OG-O 3.45Å; S240-V256 WeakPolarHBondContact OG-CG2 3.19Å
241	G	82.9	Confident	81.4	Confident	7 Å²	7	28 Å²	28	7%	0.072	16%	0.155	C	C	.	.	H	α-helix	trans	-56.6	-44.7	173.7	0	0	0	0	0	112.5	A237 A238 S244	A237-G241 PolarHBondContact O-N 3.06Å; A238-G241 PolarHBondContact O-N 3.34Å; G241-S244 PolarHBondContact O-N 3Å; G241-S244 PolarHBondContact O-OG 3.28Å
242	L	81.2	Confident	81.1	Confident	69 Å²	69	28.1 Å²	28.1	36%	0.361	16%	0.156	S	C	.	.	H	α-helix	trans	-63.9	-47.6	178.4	-176.2	70.3	0	0	0	112.5	L138 L141 A238 L239 S240 S244 F245	L138-L242 HydrophobicContact CD2-CD1 3.58Å; L138-L242 HydrophobicContact CD2-CD2 4Å; L138-L242 HydrophobicContact CD2-CG 4.46Å; L141-L242 HydrophobicContact CD2-CD2 4.19Å; A238-L242 WeakPolarHBondContact O-CB 3.43Å; A238-L242 PolarHBondContact O-N 2.76Å; L239-L242 PolarHBondContact O-N 2.77Å; S240-L242 VanDerWaalsContact C-N 3.33Å; S240-L242 PolarHBondContact O-N 3.31Å; L242-S244 PolarHBondContact O-N 3.4Å; L242-F245 PolarHBondContact O-N 2.85Å
243	V	80.8	Confident	81	Confident	65 Å²	65	28.5 Å²	28.5	39%	0.394	16%	0.158	S	C	.	.	H	α-helix	trans	-64.6	-28.9	-179.7	172	0	0	0	0	111.7	V168 L239 S240 F245	V168-V243 HydrophobicContact CG1-CG2 3.55Å; V168-V243 HydrophobicContact CG2-CG2 4.22Å; L239-V243 WeakPolarHBondContact O-CG2 3.18Å; L239-V243 PolarHBondContact O-N 3.01Å; S240-V243 PolarHBondContact O-N 3.35Å; V243-F245 VanDerWaalsContact O-CD2 3.25Å; V243-F245 WeakPolarHBondContact O-CD2 3.33Å; V243-F245 PolarHBondContact O-N 2.9Å
244	S	75.6	Confident	80.9	Confident	11 Å²	11	29.1 Å²	29.1	8%	0.077	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-18.2	179.8	78	0	0	0	0	114.2	L21 S240 G241 L242 I246	L21-S244 WeakPolarHBondContact CD2-O 3.27Å; S240-S244 WeakPolarHBondContact O-CB 3.46Å; S240-S244 PolarHBondContact O-N 3.2Å; G241-S244 PolarHBondContact O-N 3Å; G241-S244 PolarHBondContact O-OG 3.28Å; L242-S244 PolarHBondContact O-N 3.4Å; S244-I246 PolarHBondContact O-N 3.1Å; S244-I246 PolarHBondContact OG-N 3.03Å
245	F	71.8	Confident	80.6	Confident	176 Å²	176	30.4 Å²	30.4	77%	0.772	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.9	12.4	-170.6	-67.5	-85.2	0	0	0	114.9	L242 V243	L242-F245 PolarHBondContact O-N 2.85Å; V243-F245 VanDerWaalsContact O-CD2 3.25Å; V243-F245 WeakPolarHBondContact O-CD2 3.33Å; V243-F245 PolarHBondContact O-N 2.9Å
246	I	69.9	Low	80.5	Confident	16 Å²	16	31 Å²	31	8%	0.082	17%	0.172	C	C	.	.			trans	-76.1	129.6	176.7	-62.3	174.1	0	0	0	108.1	F22 V25 S244 G248 G249 F250	F22-I246 HydrophobicContact CD2-CD1 4.35Å; F22-I246 HydrophobicContact CD2-CG2 4.1Å; F22-I246 HydrophobicContact CE2-CG2 4.45Å; V25-I246 HydrophobicContact CB-CD1 3.91Å; V25-I246 HydrophobicContact CG1-CD1 3.99Å; V25-I246 HydrophobicContact CG2-CD1 3.79Å; S244-I246 PolarHBondContact O-N 3.1Å; S244-I246 PolarHBondContact OG-N 3.03Å; I246-G248 PolarHBondContact O-N 3.32Å; I246-G249 WeakPolarHBondContact O-CA 3.2Å; I246-G249 PolarHBondContact O-N 2.82Å; I246-F250 HydrophobicContact CG2-CB 4.1Å; I246-F250 WeakPolarHBondContact CG2-O 3.3Å
247	P	64.3	Low	80.5	Confident	63 Å²	63	31 Å²	31	41%	0.409	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-50.7	127.5	175.5	-29.4	36.5	0	0	0	112.2	G249 F250	P247-G249 PolarHBondContact O-N 2.99Å; P247-F250 PolarHBondContact O-N 2.92Å
248	G	66.6	Low	80.4	Confident	28 Å²	28	31.1 Å²	31.1	29%	0.289	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	69.4	5.8	-177.1	0	0	0	0	0	115.3	I246 F250 R279	I246-G248 PolarHBondContact O-N 3.32Å; G248-F250 PolarHBondContact O-N 3.5Å; G248-R279 PolarHBondContact O-NH1 2.97Å
249	G	72.5	Confident	80.3	Confident	9 Å²	9	33.8 Å²	33.8	9%	0.093	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	63.2	23.8	-174.1	0	0	0	0	0	112.9	I246 P247 G251 A252 F253 R279	I246-G249 WeakPolarHBondContact O-CA 3.2Å; I246-G249 PolarHBondContact O-N 2.82Å; P247-G249 PolarHBondContact O-N 2.99Å; G249-G251 PolarHBondContact O-N 3.03Å; G249-A252 PolarHBondContact O-N 3.08Å; G249-F253 VanDerWaalsContact O-CB 3.23Å; G249-F253 WeakPolarHBondContact O-CB 3.36Å; G249-F253 PolarHBondContact O-N 3.22Å; G249-R279 PolarHBondContact O-NH2 3.46Å
250	F	71.7	Confident	80.2	Confident	113 Å²	113	33.9 Å²	33.9	50%	0.496	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	131.5	-173.5	-168.1	-93.1	0	0	0	111.3	L29 I246 P247 G248 A252	L29-F250 HydrophobicContact CD2-CE1 4.34Å; I246-F250 HydrophobicContact CG2-CB 4.1Å; I246-F250 WeakPolarHBondContact CG2-O 3.3Å; P247-F250 PolarHBondContact O-N 2.92Å; G248-F250 PolarHBondContact O-N 3.5Å; F250-A252 PolarHBondContact O-N 3.3Å
251	G	78	Confident	80.4	Confident	1 Å²	1	33.1 Å²	33.1	1%	0.01	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.1	-49.1	-177.2	0	0	0	0	0	114.1	V25 G249 D254 L255	V25-G251 VanDerWaalsContact CG1-C 3.43Å; G249-G251 PolarHBondContact O-N 3.03Å; G251-D254 WeakPolarHBondContact CA-OD2 3.45Å; G251-D254 PolarHBondContact N-OD2 3.49Å; G251-D254 PolarHBondContact O-N 3.5Å; G251-L255 WeakPolarHBondContact O-CB 3.25Å; G251-L255 PolarHBondContact O-N 3.49Å
252	A	82.4	Confident	80.6	Confident	6 Å²	6	37.1 Å²	37.1	5%	0.05	20%	0.197	C	C	.	.	H	α-helix	trans	-68.7	-42.7	-178.4	0	0	0	0	0	112.7	S240 G249 F250 V256	S240-A252 PolarHBondContact OG-O 3.45Å; G249-A252 PolarHBondContact O-N 3.08Å; F250-A252 PolarHBondContact O-N 3.3Å; A252-V256 WeakPolarHBondContact O-CG2 3.37Å; A252-V256 PolarHBondContact O-N 3.32Å
253	F	88.2	Confident	80.7	Confident	10 Å²	10	36.5 Å²	36.5	4%	0.044	20%	0.196	C	C	.	.	H	α-helix	trans	-65.1	-49.3	172.1	177.4	-89.7	0	0	0	110.7	L214 F234 A237 A238 G249 L255 V256 V257 L275 Y278	L214-F253 HydrophobicContact CD2-CE1 4.45Å; L214-F253 HydrophobicContact CD2-CZ 4.05Å; F234-F253 HydrophobicContact CD2-CE2 4.02Å; F234-F253 AromaticContact CD2-CZ 3.83Å; F234-F253 HydrophobicContact CD2-CZ 3.83Å; F234-F253 AromaticContact CE2-CE2 3.99Å; F234-F253 HydrophobicContact CE2-CE2 3.99Å; F234-F253 AromaticContact CE2-CZ 3.87Å; F234-F253 HydrophobicContact CE2-CZ 3.87Å; A237-F253 VanDerWaalsContact C-CD2 3.43Å; A237-F253 HydrophobicContact CB-CD2 3.61Å; A237-F253 HydrophobicContact CB-CE2 3.69Å; A237-F253 HydrophobicContact CB-CG 4.2Å; A237-F253 HydrophobicContact CB-CZ 4.34Å; A237-F253 WeakPolarHBondContact O-CD2 3.46Å; A238-F253 HydrophobicContact CB-CE2 4.41Å; G249-F253 VanDerWaalsContact O-CB 3.23Å; G249-F253 WeakPolarHBondContact O-CB 3.36Å; G249-F253 PolarHBondContact O-N 3.22Å; F253-L255 VanDerWaalsContact C-N 3.34Å; F253-L255 PolarHBondContact O-N 2.82Å; F253-V256 PolarHBondContact O-N 3.19Å; F253-V257 HydrophobicContact CD1-CG2 4.08Å; F253-V257 HydrophobicContact CE1-CG2 3.68Å; F253-V257 HydrophobicContact CE2-CG2 4.46Å; F253-V257 HydrophobicContact CZ-CG2 3.89Å; F253-V257 WeakPolarHBondContact O-CG2 3.29Å; F253-V257 PolarHBondContact O-N 2.94Å; F253-L275 HydrophobicContact CD1-CD2 4.34Å; F253-L275 HydrophobicContact CE1-CD2 4.06Å; F253-Y278 HydrophobicContact CE1-CD1 4.28Å; F253-Y278 AromaticContact CE1-CE1 3.96Å; F253-Y278 HydrophobicContact CE1-CE1 3.96Å; F253-Y278 HydrophobicContact CZ-CE1 4.19Å
254	D	88.2	Confident	81	Confident	13 Å²	13	36.3 Å²	36.3	7%	0.07	19%	0.193	C	C	.	.	H	α-helix	trans	-61.8	-42.5	-174.4	-52.4	-60.8	0	0	0	111.2	L29 G251 V256 V257 L258 L275 R279	L29-D254 HydrophobicContact CD1-CB 4.33Å; G251-D254 WeakPolarHBondContact CA-OD2 3.45Å; G251-D254 PolarHBondContact N-OD2 3.49Å; G251-D254 PolarHBondContact O-N 3.5Å; D254-V256 PolarHBondContact O-N 2.95Å; D254-V257 PolarHBondContact O-N 2.78Å; D254-L258 WeakPolarHBondContact O-CB 3.49Å; D254-L258 PolarHBondContact O-N 3.33Å; D254-L275 HydrophobicContact CB-CD1 4.07Å; D254-L275 WeakPolarHBondContact O-CD1 3.4Å; D254-R279 IonicContact OD1-CZ 3.75Å; D254-R279 IonicContact OD1-NE 3.92Å; D254-R279 PolarHBondContact OD1-NE 3.2Å; D254-R279 IonicContact OD1-NH2 2.64Å; D254-R279 PolarHBondContact OD1-NH2 2.91Å; D254-R279 IonicContact OD2-CZ 3.28Å; D254-R279 IonicContact OD2-NE 3.12Å; D254-R279 IonicContact OD2-NH2 2.82Å; D254-R279 PolarHBondContact OD2-NH2 3.42Å
255	L	85.8	Confident	81.4	Confident	29 Å²	29	38.9 Å²	38.9	15%	0.152	22%	0.22	C	C	.	.	H	α-helix	trans	-60.9	-43.8	177	179.9	65.7	0	0	0	112.2	T28 E32 G251 F253 L258 L259	T28-L255 HydrophobicContact CG2-CD1 4.01Å; T28-L255 HydrophobicContact CG2-CD2 3.66Å; E32-L255 HydrophobicContact CG-CD1 3.84Å; G251-L255 WeakPolarHBondContact O-CB 3.25Å; G251-L255 PolarHBondContact O-N 3.49Å; F253-L255 VanDerWaalsContact C-N 3.34Å; F253-L255 PolarHBondContact O-N 2.82Å; L255-L258 PolarHBondContact O-N 3.49Å; L255-L259 HydrophobicContact CD1-CD1 4.15Å; L255-L259 HydrophobicContact CD1-CG 4.32Å; L255-L259 HydrophobicContact CG-CD1 4.04Å; L255-L259 WeakPolarHBondContact O-CB 3.45Å; L255-L259 VanDerWaalsContact O-CG 3.28Å; L255-L259 WeakPolarHBondContact O-CG 3.3Å; L255-L259 PolarHBondContact O-N 2.96Å
256	V	87.7	Confident	82.2	Confident	13 Å²	13	31.2 Å²	31.2	8%	0.079	19%	0.188	C	C	.	.	H	α-helix	trans	-71.6	-36.2	-178.7	174	0	0	0	0	111.6	I236 A237 S240 A252 F253 D254 G260	I236-V256 HydrophobicContact CG2-CG1 3.83Å; A237-V256 HydrophobicContact CB-CB 3.93Å; A237-V256 HydrophobicContact CB-CG1 3.79Å; S240-V256 WeakPolarHBondContact OG-CG2 3.19Å; A252-V256 WeakPolarHBondContact O-CG2 3.37Å; A252-V256 PolarHBondContact O-N 3.32Å; F253-V256 PolarHBondContact O-N 3.19Å; D254-V256 PolarHBondContact O-N 2.95Å; V256-G260 PolarHBondContact O-N 2.92Å
257	V	90	Very high	83.1	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-61.5	-50	170.2	173.9	0	0	0	0	109.8	L214 I233 A237 F253 D254 L259 G260 F261 V271 M274 L275	L214-V257 HydrophobicContact CD2-CG2 4.42Å; I233-V257 HydrophobicContact CG2-CG2 4.46Å; A237-V257 HydrophobicContact CB-CG2 3.59Å; F253-V257 HydrophobicContact CD1-CG2 4.08Å; F253-V257 HydrophobicContact CE1-CG2 3.68Å; F253-V257 HydrophobicContact CE2-CG2 4.46Å; F253-V257 HydrophobicContact CZ-CG2 3.89Å; F253-V257 WeakPolarHBondContact O-CG2 3.29Å; F253-V257 PolarHBondContact O-N 2.94Å; D254-V257 PolarHBondContact O-N 2.78Å; V257-L259 PolarHBondContact O-N 2.87Å; V257-G260 PolarHBondContact O-N 3.32Å; V257-F261 HydrophobicContact CG1-CD2 3.66Å; V257-F261 HydrophobicContact CG1-CE2 3.84Å; V257-F261 VanDerWaalsContact O-CD2 3.31Å; V257-F261 WeakPolarHBondContact O-CD2 3.25Å; V257-F261 PolarHBondContact O-N 2.9Å; V257-V271 HydrophobicContact CG1-CG1 4.1Å; V257-M274 HydrophobicContact CG1-CE 3.68Å; V257-L275 HydrophobicContact CB-CD1 4.24Å; V257-L275 HydrophobicContact CB-CD2 3.89Å; V257-L275 HydrophobicContact CB-CG 4.41Å; V257-L275 HydrophobicContact CG1-CD1 4.12Å; V257-L275 HydrophobicContact CG1-CD2 3.73Å; V257-L275 HydrophobicContact CG1-CG 3.97Å; V257-L275 HydrophobicContact CG2-CD2 4.13Å
258	L	88.5	Confident	84.3	Confident	2 Å²	2	32.6 Å²	32.6	1%	0.01	19%	0.194	C	C	.	.	H	α-helix	trans	-54.8	-51.9	179.1	-168.4	153.5	0	0	0	111.6	I36 D254 L255 G260 K262 V271	I36-L258 HydrophobicContact CD1-CD1 4.27Å; D254-L258 WeakPolarHBondContact O-CB 3.49Å; D254-L258 PolarHBondContact O-N 3.33Å; L255-L258 PolarHBondContact O-N 3.49Å; L258-G260 PolarHBondContact O-N 2.63Å; L258-K262 WeakPolarHBondContact O-CB 3.19Å; L258-K262 PolarHBondContact O-N 2.72Å; L258-V271 HydrophobicContact CB-CG1 4.47Å
259	L	85.9	Confident	85.2	Confident	61 Å²	61	33.8 Å²	33.8	32%	0.319	19%	0.192	S	C	.	.	H	α-helix	trans	-63.3	-42.5	177.8	-68.5	173.1	0	0	0	112.3	L255 V257 K262 T263	L255-L259 HydrophobicContact CD1-CD1 4.15Å; L255-L259 HydrophobicContact CD1-CG 4.32Å; L255-L259 HydrophobicContact CG-CD1 4.04Å; L255-L259 WeakPolarHBondContact O-CB 3.45Å; L255-L259 VanDerWaalsContact O-CG 3.28Å; L255-L259 WeakPolarHBondContact O-CG 3.3Å; L255-L259 PolarHBondContact O-N 2.96Å; V257-L259 PolarHBondContact O-N 2.87Å; L259-K262 PolarHBondContact O-N 3.01Å; L259-T263 WeakPolarHBondContact O-CG2 3.47Å; L259-T263 PolarHBondContact O-N 3.43Å; L259-T263 VanDerWaalsContact O-N 3.08Å
260	G	87.6	Confident	86.1	Confident	3 Å²	3	35.1 Å²	35.1	3%	0.031	20%	0.196	C	C	.	.	H	α-helix	trans	-59.9	-50.8	180	0	0	0	0	0	112.4	V256 V257 L258 T263	V256-G260 PolarHBondContact O-N 2.92Å; V257-G260 PolarHBondContact O-N 3.32Å; L258-G260 PolarHBondContact O-N 2.63Å; G260-T263 PolarHBondContact O-N 3.21Å; G260-T263 PolarHBondContact O-OG1 3.14Å
261	F	89.3	Confident	87	Confident	1 Å²	1	29.8 Å²	29.8	0%	0.004	17%	0.172	C	C	.	.	H	α-helix	trans	-71.5	-32.5	179.1	-79	-84	0	0	0	113.1	V225 F230 I233 V257 T263 L264 G265 V266 V271 M274	V225-F261 HydrophobicContact CB-CE1 4Å; V225-F261 HydrophobicContact CG1-CE1 4.19Å; V225-F261 HydrophobicContact CG2-CD1 3.83Å; V225-F261 HydrophobicContact CG2-CE1 3.72Å; F230-F261 AromaticContact CD2-CE1 3.68Å; F230-F261 HydrophobicContact CD2-CE1 3.68Å; F230-F261 AromaticContact CD2-CZ 3.31Å; F230-F261 HydrophobicContact CD2-CZ 3.31Å; F230-F261 AromaticContact CE2-CE1 3.76Å; F230-F261 HydrophobicContact CE2-CE1 3.76Å; F230-F261 HydrophobicContact CE2-CE2 4.26Å; F230-F261 AromaticContact CE2-CZ 3.27Å; F230-F261 HydrophobicContact CE2-CZ 3.27Å; F230-F261 AromaticContact CG-CZ 3.95Å; F230-F261 HydrophobicContact CG-CZ 3.95Å; F230-F261 AromaticContact CZ-CZ 3.88Å; F230-F261 HydrophobicContact CZ-CZ 3.88Å; I233-F261 HydrophobicContact CB-CE2 4.21Å; I233-F261 HydrophobicContact CD1-CD1 4.36Å; I233-F261 HydrophobicContact CD1-CD2 4Å; I233-F261 HydrophobicContact CD1-CE1 4.23Å; I233-F261 HydrophobicContact CD1-CE2 3.84Å; I233-F261 HydrophobicContact CD1-CG 4.23Å; I233-F261 HydrophobicContact CD1-CZ 3.94Å; I233-F261 HydrophobicContact CG2-CD2 4.01Å; I233-F261 HydrophobicContact CG2-CE2 3.7Å; V257-F261 HydrophobicContact CG1-CD2 3.66Å; V257-F261 HydrophobicContact CG1-CE2 3.84Å; V257-F261 VanDerWaalsContact O-CD2 3.31Å; V257-F261 WeakPolarHBondContact O-CD2 3.25Å; V257-F261 PolarHBondContact O-N 2.9Å; F261-T263 VanDerWaalsContact C-N 3.26Å; F261-T263 PolarHBondContact O-N 3.26Å; F261-L264 CarbonylContact O-C 3.57Å; F261-L264 WeakPolarHBondContact O-CA 3.44Å; F261-L264 PolarHBondContact O-N 2.84Å; F261-G265 PolarHBondContact O-N 3.42Å; F261-V266 HydrophobicContact CB-CB 4.19Å; F261-V266 HydrophobicContact CB-CG2 4.47Å; F261-V266 HydrophobicContact CD1-CG2 4.03Å; F261-V266 PolarHBondContact O-N 3.49Å; F261-V271 HydrophobicContact CB-CB 4.43Å; F261-V271 HydrophobicContact CB-CG1 4.05Å; F261-V271 HydrophobicContact CB-CG2 3.43Å; F261-V271 VanDerWaalsContact CB-CG2 3.43Å; F261-V271 HydrophobicContact CD2-CG1 4.4Å; F261-V271 HydrophobicContact CG-CG1 4.46Å; F261-V271 HydrophobicContact CG-CG2 4.19Å; F261-M274 HydrophobicContact CD2-CE 3.82Å; F261-M274 HydrophobicContact CE2-CE 3.7Å; F261-M274 HydrophobicContact CG-CE 4.35Å; F261-M274 HydrophobicContact CZ-CE 4.11Å
262	K	86.1	Confident	87.5	Confident	90 Å²	90	30.7 Å²	30.7	39%	0.391	18%	0.177	S	C	.	.	H	α-helix	trans	-58.3	-38.8	171.4	-178.9	175	-178.7	159.8	0	111.6	E32 L258 L259 L264 G265 E268	E32-K262 IonicContact OE2-NZ 2.71Å; L258-K262 WeakPolarHBondContact O-CB 3.19Å; L258-K262 PolarHBondContact O-N 2.72Å; L259-K262 PolarHBondContact O-N 3.01Å; K262-L264 PolarHBondContact O-N 2.85Å; K262-G265 PolarHBondContact O-N 2.85Å; K262-G265 VanDerWaalsContact O-N 3.12Å; K262-E268 HydrophobicContact CD-CG 4.43Å; K262-E268 VanDerWaalsContact CD-OE1 3.24Å; K262-E268 WeakPolarHBondContact CD-OE1 3.38Å; K262-E268 WeakPolarHBondContact CE-OE1 3.37Å; K262-E268 IonicContact NZ-OE1 2.99Å; K262-E268 PolarHBondContact NZ-OE1 3.22Å
263	T	84.1	Confident	87.9	Confident	57 Å²	57	30.7 Å²	30.7	35%	0.35	18%	0.176	S	C	.	.	H	α-helix	trans	-67.8	-19.3	175.1	62.7	0	0	0	0	114.6	K161 L259 G260 F261 G265	K161-T263 HydrophobicContact CD-CG2 4.05Å; K161-T263 VanDerWaalsContact NZ-CG2 3.28Å; L259-T263 WeakPolarHBondContact O-CG2 3.47Å; L259-T263 PolarHBondContact O-N 3.43Å; L259-T263 VanDerWaalsContact O-N 3.08Å; G260-T263 PolarHBondContact O-N 3.21Å; G260-T263 PolarHBondContact O-OG1 3.14Å; F261-T263 VanDerWaalsContact C-N 3.26Å; F261-T263 PolarHBondContact O-N 3.26Å; T263-G265 VanDerWaalsContact C-N 3.34Å
264	L	86.1	Confident	88.1	Confident	61 Å²	61	30.2 Å²	30.2	32%	0.319	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	6	175.1	-60.7	180	0	0	0	112.6	L157 V225 I233 F261 K262 V266	L157-L264 HydrophobicContact CD1-CD2 4.09Å; V225-L264 HydrophobicContact CB-CD1 4.48Å; V225-L264 HydrophobicContact CG1-CD1 3.49Å; V225-L264 VanDerWaalsContact CG1-CD1 3.49Å; V225-L264 HydrophobicContact CG2-CD1 4.12Å; I233-L264 HydrophobicContact CD1-CD1 3.6Å; I233-L264 HydrophobicContact CD1-CG 4.5Å; F261-L264 CarbonylContact O-C 3.57Å; F261-L264 WeakPolarHBondContact O-CA 3.44Å; F261-L264 PolarHBondContact O-N 2.84Å; K262-L264 PolarHBondContact O-N 2.85Å; L264-V266 VanDerWaalsContact C-N 3.34Å
265	G	85.5	Confident	88.3	Confident	64 Å²	64	30 Å²	30	66%	0.66	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.2	15.3	178.3	0	0	0	0	0	114.6	F261 K262 T263	F261-G265 PolarHBondContact O-N 3.42Å; K262-G265 PolarHBondContact O-N 2.85Å; K262-G265 VanDerWaalsContact O-N 3.12Å; T263-G265 VanDerWaalsContact C-N 3.34Å
266	V	88.8	Confident	88.4	Confident	15 Å²	15	32.8 Å²	32.8	9%	0.091	19%	0.187	C	C	.	.			trans	-77.7	131.2	174.8	-176	0	0	0	0	109.4	A223 V225 F261 L264 K270 V271	A223-V266 HydrophobicContact CB-CG1 3.86Å; V225-V266 HydrophobicContact CG2-CG2 3.72Å; F261-V266 HydrophobicContact CB-CB 4.19Å; F261-V266 HydrophobicContact CB-CG2 4.47Å; F261-V266 HydrophobicContact CD1-CG2 4.03Å; F261-V266 PolarHBondContact O-N 3.49Å; L264-V266 VanDerWaalsContact C-N 3.34Å; V266-K270 HydrophobicContact CG1-CB 4.32Å; V266-V271 HydrophobicContact CB-CG2 4.04Å; V266-V271 HydrophobicContact CG1-CG2 3.67Å
267	P	88.9	Confident	88.5	Confident	65 Å²	65	32.5 Å²	32.5	42%	0.422	19%	0.185	S	C	.	.			trans	-55.9	137	177.1	-25.1	33.5	0	0	0	112.6	E269 K270 V271	P267-E269 VanDerWaalsContact CB-OE2 3.24Å; P267-E269 WeakPolarHBondContact CB-OE2 3.39Å; P267-E269 PolarHBondContact O-N 3.01Å; P267-K270 HydrophobicContact CG-CD 4.4Å; P267-K270 PolarHBondContact O-N 3.41Å; P267-K270 VanDerWaalsContact O-N 3.15Å; P267-V271 WeakPolarHBondContact O-CG2 3.37Å; P267-V271 PolarHBondContact O-N 2.64Å
268	E	87.6	Confident	88.6	Confident	43 Å²	43	32.8 Å²	32.8	20%	0.201	19%	0.186	C	C	.	.	H	α-helix	trans	-62.6	-32.7	-173.9	-65.9	-178.8	-168.8	0	0	112.2	I36 K262 K270 V271 L272	I36-E268 HydrophobicContact CD1-CB 4.13Å; I36-E268 HydrophobicContact CG1-CB 4.16Å; K262-E268 HydrophobicContact CD-CG 4.43Å; K262-E268 VanDerWaalsContact CD-OE1 3.24Å; K262-E268 WeakPolarHBondContact CD-OE1 3.38Å; K262-E268 WeakPolarHBondContact CE-OE1 3.37Å; K262-E268 IonicContact NZ-OE1 2.99Å; K262-E268 PolarHBondContact NZ-OE1 3.22Å; E268-K270 VanDerWaalsContact C-N 3.35Å; E268-K270 PolarHBondContact O-N 3.3Å; E268-V271 PolarHBondContact O-N 2.87Å; E268-L272 WeakPolarHBondContact O-CB 3.26Å; E268-L272 PolarHBondContact O-N 3.45Å
269	E	87.2	Confident	88.6	Confident	53 Å²	53	33.9 Å²	33.9	25%	0.248	19%	0.19	C	C	.	.	H	α-helix	trans	-62.8	-42.3	178	-49.9	71.9	-157.8	0	0	110.9	I36 D40 P267 L272 L273	I36-E269 HydrophobicContact CG2-CB 4.43Å; I36-E269 HydrophobicContact CG2-CG 4.01Å; D40-E269 HydrophobicContact CB-CG 4.11Å; P267-E269 VanDerWaalsContact CB-OE2 3.24Å; P267-E269 WeakPolarHBondContact CB-OE2 3.39Å; P267-E269 PolarHBondContact O-N 3.01Å; E269-L272 PolarHBondContact O-N 2.6Å; E269-L273 WeakPolarHBondContact O-CB 3.42Å; E269-L273 PolarHBondContact O-N 3.41Å
270	K	90.5	Very high	88.6	Confident	37 Å²	37	35.2 Å²	35.2	16%	0.161	19%	0.194	C	C	.	.	H	α-helix	trans	-66.6	-41.1	176.8	-75.3	-174.7	163.9	-167.2	0	110.9	V221 D222 V266 P267 E268 L273 M274	V221-K270 HydrophobicContact CG2-CB 4.35Å; V221-K270 VanDerWaalsContact O-CD 3.25Å; V221-K270 WeakPolarHBondContact O-CD 3.43Å; V221-K270 WeakPolarHBondContact O-CE 3.02Å; V221-K270 PolarHBondContact O-NZ 2.89Å; D222-K270 PolarHBondContact O-NZ 3.36Å; D222-K270 IonicContact OD2-NZ 2.99Å; D222-K270 PolarHBondContact OD2-NZ 3.49Å; V266-K270 HydrophobicContact CG1-CB 4.32Å; P267-K270 HydrophobicContact CG-CD 4.4Å; P267-K270 PolarHBondContact O-N 3.41Å; P267-K270 VanDerWaalsContact O-N 3.15Å; E268-K270 VanDerWaalsContact C-N 3.35Å; E268-K270 PolarHBondContact O-N 3.3Å; K270-L273 PolarHBondContact O-N 3.32Å; K270-M274 WeakPolarHBondContact O-CB 3.41Å; K270-M274 PolarHBondContact O-N 3.49Å
271	V	91.2	Very high	88.7	Confident	1 Å²	1	35.1 Å²	35.1	1%	0.006	19%	0.192	C	C	.	.	H	α-helix	trans	-66.8	-41.2	178.5	-176.2	0	0	0	0	111.2	V257 L258 F261 V266 P267 E268 M274 L275	V257-V271 HydrophobicContact CG1-CG1 4.1Å; L258-V271 HydrophobicContact CB-CG1 4.47Å; F261-V271 HydrophobicContact CB-CB 4.43Å; F261-V271 HydrophobicContact CB-CG1 4.05Å; F261-V271 HydrophobicContact CB-CG2 3.43Å; F261-V271 VanDerWaalsContact CB-CG2 3.43Å; F261-V271 HydrophobicContact CD2-CG1 4.4Å; F261-V271 HydrophobicContact CG-CG1 4.46Å; F261-V271 HydrophobicContact CG-CG2 4.19Å; V266-V271 HydrophobicContact CB-CG2 4.04Å; V266-V271 HydrophobicContact CG1-CG2 3.67Å; P267-V271 WeakPolarHBondContact O-CG2 3.37Å; P267-V271 PolarHBondContact O-N 2.64Å; E268-V271 PolarHBondContact O-N 2.87Å; V271-M274 HydrophobicContact CG1-CE 4.06Å; V271-M274 WeakPolarHBondContact O-CB 3.43Å; V271-M274 PolarHBondContact O-N 3.2Å; V271-L275 HydrophobicContact CG1-CD1 4.35Å; V271-L275 WeakPolarHBondContact O-CG 3.24Å; V271-L275 PolarHBondContact O-N 3Å
272	L	88.7	Confident	88.6	Confident	20 Å²	20	35.9 Å²	35.9	11%	0.105	20%	0.196	C	C	.	.	H	α-helix	trans	-60.6	-47.4	173.8	179.5	61	0	0	0	110.9	L33 I36 T41 E268 E269 M274 L275 L276	L33-L272 HydrophobicContact CD2-CD1 3.41Å; L33-L272 VanDerWaalsContact CD2-CD1 3.41Å; L33-L272 HydrophobicContact CD2-CD2 3.96Å; L33-L272 HydrophobicContact CD2-CG 4.29Å; I36-L272 HydrophobicContact CD1-CB 4.14Å; I36-L272 HydrophobicContact CD1-CD2 3.94Å; I36-L272 HydrophobicContact CG2-CD2 3.94Å; T41-L272 HydrophobicContact CG2-CD2 4.45Å; E268-L272 WeakPolarHBondContact O-CB 3.26Å; E268-L272 PolarHBondContact O-N 3.45Å; E269-L272 PolarHBondContact O-N 2.6Å; L272-M274 VanDerWaalsContact C-N 3.34Å; L272-M274 PolarHBondContact O-N 2.79Å; L272-L275 PolarHBondContact O-N 2.88Å; L272-L276 HydrophobicContact CD1-CD1 4.46Å; L272-L276 HydrophobicContact CD1-CG 4.39Å; L272-L276 HydrophobicContact CG-CD1 4.18Å; L272-L276 WeakPolarHBondContact O-CG 3.45Å; L272-L276 PolarHBondContact O-N 3.03Å
273	L	90.2	Very high	88.4	Confident	6 Å²	6	33.4 Å²	33.4	3%	0.031	18%	0.184	C	C	.	.	H	α-helix	trans	-60.5	-43.9	177.8	-173.9	54.7	0	0	0	111.9	T41 E44 F45 I48 V221 E269 K270 L275 L276 L277	T41-L273 HydrophobicContact CG2-CB 4.08Å; T41-L273 HydrophobicContact CG2-CD1 4.25Å; E44-L273 HydrophobicContact CB-CD2 3.74Å; F45-L273 HydrophobicContact CB-CD1 3.96Å; F45-L273 HydrophobicContact CB-CD2 4.22Å; F45-L273 HydrophobicContact CD2-CD1 3.92Å; F45-L273 HydrophobicContact CG-CD1 4.37Å; I48-L273 HydrophobicContact CD1-CD2 3.9Å; I48-L273 HydrophobicContact CD1-CG 4.38Å; V221-L273 HydrophobicContact CG1-CB 4.08Å; V221-L273 HydrophobicContact CG1-CD2 3.88Å; V221-L273 HydrophobicContact CG1-CG 3.76Å; E269-L273 WeakPolarHBondContact O-CB 3.42Å; E269-L273 PolarHBondContact O-N 3.41Å; K270-L273 PolarHBondContact O-N 3.32Å; L273-L275 VanDerWaalsContact C-N 3.33Å; L273-L275 PolarHBondContact O-N 2.86Å; L273-L276 PolarHBondContact O-N 2.77Å; L273-L277 HydrophobicContact CD1-CG 4.45Å; L273-L277 HydrophobicContact CG-CD1 4.35Å; L273-L277 WeakPolarHBondContact O-CB 3.49Å; L273-L277 VanDerWaalsContact O-CG 3.3Å; L273-L277 WeakPolarHBondContact O-CG 3.46Å; L273-L277 PolarHBondContact O-N 2.97Å
274	M	92.7	Very high	88.4	Confident	1 Å²	1	35.6 Å²	35.6	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-56.6	-45.9	174.7	179.7	-177.9	69.1	0	0	111.8	L214 C217 G218 V221 F230 V257 F261 K270 V271 L272 L277 Y278	L214-M274 HydrophobicContact CD1-CE 4.37Å; L214-M274 HydrophobicContact CD1-CG 4.02Å; L214-M274 HydrophobicContact CD1-SD 4.4Å; C217-M274 HydrophobicContact CB-CB 4.4Å; C217-M274 HydrophobicContact CB-CG 3.56Å; G218-M274 WeakPolarHBondContact CA-SD 3.43Å; V221-M274 HydrophobicContact CG1-CB 4.46Å; V221-M274 HydrophobicContact CG2-CB 3.92Å; F230-M274 HydrophobicContact CE2-SD 3.98Å; F230-M274 HydrophobicContact CZ-SD 4Å; V257-M274 HydrophobicContact CG1-CE 3.68Å; F261-M274 HydrophobicContact CD2-CE 3.82Å; F261-M274 HydrophobicContact CE2-CE 3.7Å; F261-M274 HydrophobicContact CG-CE 4.35Å; F261-M274 HydrophobicContact CZ-CE 4.11Å; K270-M274 WeakPolarHBondContact O-CB 3.41Å; K270-M274 PolarHBondContact O-N 3.49Å; V271-M274 HydrophobicContact CG1-CE 4.06Å; V271-M274 WeakPolarHBondContact O-CB 3.43Å; V271-M274 PolarHBondContact O-N 3.2Å; L272-M274 VanDerWaalsContact C-N 3.34Å; L272-M274 PolarHBondContact O-N 2.79Å; M274-L277 PolarHBondContact O-N 3.48Å; M274-Y278 WeakPolarHBondContact O-CB 3.43Å; M274-Y278 PolarHBondContact O-N 3.28Å
275	L	91.2	Very high	88.4	Confident	7 Å²	7	33.7 Å²	33.7	4%	0.037	18%	0.18	C	C	.	.	H	α-helix	trans	-64.8	-44	177.9	-78	169.7	0	0	0	111.9	F253 D254 V257 V271 L272 L273 L277 Y278 R279	F253-L275 HydrophobicContact CD1-CD2 4.34Å; F253-L275 HydrophobicContact CE1-CD2 4.06Å; D254-L275 HydrophobicContact CB-CD1 4.07Å; D254-L275 WeakPolarHBondContact O-CD1 3.4Å; V257-L275 HydrophobicContact CB-CD1 4.24Å; V257-L275 HydrophobicContact CB-CD2 3.89Å; V257-L275 HydrophobicContact CB-CG 4.41Å; V257-L275 HydrophobicContact CG1-CD1 4.12Å; V257-L275 HydrophobicContact CG1-CD2 3.73Å; V257-L275 HydrophobicContact CG1-CG 3.97Å; V257-L275 HydrophobicContact CG2-CD2 4.13Å; V271-L275 HydrophobicContact CG1-CD1 4.35Å; V271-L275 WeakPolarHBondContact O-CG 3.24Å; V271-L275 PolarHBondContact O-N 3Å; L272-L275 PolarHBondContact O-N 2.88Å; L273-L275 VanDerWaalsContact C-N 3.33Å; L273-L275 PolarHBondContact O-N 2.86Å; L275-L277 PolarHBondContact O-N 3.36Å; L275-Y278 PolarHBondContact O-N 2.93Å; L275-R279 VanDerWaalsContact O-CG 3.28Å; L275-R279 WeakPolarHBondContact O-CG 3.33Å; L275-R279 PolarHBondContact O-N 3.19Å
276	L	88	Confident	88.6	Confident	88 Å²	88	30.7 Å²	30.7	46%	0.461	15%	0.149	S	C	.	.	H	α-helix	trans	-61.1	-45.7	177.1	-70.5	173.4	0	0	0	111.5	L272 L273 Y278 R279 F280	L272-L276 HydrophobicContact CD1-CD1 4.46Å; L272-L276 HydrophobicContact CD1-CG 4.39Å; L272-L276 HydrophobicContact CG-CD1 4.18Å; L272-L276 WeakPolarHBondContact O-CG 3.45Å; L272-L276 PolarHBondContact O-N 3.03Å; L273-L276 PolarHBondContact O-N 2.77Å; L276-Y278 VanDerWaalsContact C-N 3.34Å; L276-Y278 PolarHBondContact O-N 3.03Å; L276-R279 PolarHBondContact O-N 3.34Å; L276-F280 WeakPolarHBondContact O-CB 3.32Å; L276-F280 PolarHBondContact O-N 2.95Å
277	L	91.5	Very high	88.3	Confident	8 Å²	8	30.8 Å²	30.8	4%	0.042	15%	0.149	C	C	.	.	H	α-helix	trans	-60.9	-42.8	175.4	-71.4	176.5	0	0	0	111.8	F45 I48 L53 L56 C217 I220 V221 L273 M274 L275 F280 A281	F45-L277 HydrophobicContact CD2-CD2 4.48Å; F45-L277 HydrophobicContact CE2-CD2 4.11Å; I48-L277 HydrophobicContact CD1-CD1 3.86Å; L53-L277 HydrophobicContact CD2-CD1 4.34Å; L53-L277 HydrophobicContact CD2-CD2 3.5Å; L53-L277 VanDerWaalsContact CD2-CD2 3.5Å; L56-L277 HydrophobicContact CD2-CB 3.99Å; C217-L277 HydrophobicContact CB-CB 4.36Å; I220-L277 HydrophobicContact CG2-CD1 4.18Å; V221-L277 HydrophobicContact CG1-CD1 3.96Å; L273-L277 HydrophobicContact CD1-CG 4.45Å; L273-L277 HydrophobicContact CG-CD1 4.35Å; L273-L277 WeakPolarHBondContact O-CB 3.49Å; L273-L277 VanDerWaalsContact O-CG 3.3Å; L273-L277 WeakPolarHBondContact O-CG 3.46Å; L273-L277 PolarHBondContact O-N 2.97Å; M274-L277 PolarHBondContact O-N 3.48Å; L275-L277 PolarHBondContact O-N 3.36Å; L277-F280 PolarHBondContact O-N 2.99Å; L277-A281 VanDerWaalsContact O-CB 3.28Å; L277-A281 WeakPolarHBondContact O-CB 3.38Å; L277-A281 PolarHBondContact O-N 3.44Å
278	Y	91.8	Very high	88.1	Confident	5 Å²	5	29.9 Å²	29.9	2%	0.02	14%	0.14	C	C	.	.	H	α-helix	trans	-62.4	-47.6	176.8	174.5	-107.2	0	0	0	112.1	V213 L214 C217 F253 M274 L275 L276 F280 A281 Y282 Y283	V213-Y278 HydrophobicContact CB-CE2 4.4Å; V213-Y278 HydrophobicContact CG1-CD2 4.02Å; V213-Y278 HydrophobicContact CG1-CE2 4.28Å; L214-Y278 HydrophobicContact CB-CD2 3.68Å; L214-Y278 HydrophobicContact CB-CE2 3.89Å; L214-Y278 HydrophobicContact CB-CG 4.28Å; L214-Y278 HydrophobicContact CD1-CD1 4.09Å; L214-Y278 HydrophobicContact CD1-CD2 3.87Å; L214-Y278 HydrophobicContact CD1-CG 3.56Å; L214-Y278 HydrophobicContact CG-CD2 4.33Å; L214-Y278 HydrophobicContact CG-CG 4.45Å; C217-Y278 PolarHBondContact SG-N 2.66Å; F253-Y278 HydrophobicContact CE1-CD1 4.28Å; F253-Y278 AromaticContact CE1-CE1 3.96Å; F253-Y278 HydrophobicContact CE1-CE1 3.96Å; F253-Y278 HydrophobicContact CZ-CE1 4.19Å; M274-Y278 WeakPolarHBondContact O-CB 3.43Å; M274-Y278 PolarHBondContact O-N 3.28Å; L275-Y278 PolarHBondContact O-N 2.93Å; L276-Y278 VanDerWaalsContact C-N 3.34Å; L276-Y278 PolarHBondContact O-N 3.03Å; Y278-F280 VanDerWaalsContact C-N 3.26Å; Y278-F280 PolarHBondContact O-N 2.87Å; Y278-A281 PolarHBondContact O-N 3.36Å; Y278-Y282 HydrophobicContact CE2-CD2 4.38Å; Y278-Y282 HydrophobicContact CE2-CG 4.06Å; Y278-Y282 WeakPolarHBondContact O-CB 3.49Å; Y278-Y282 PolarHBondContact O-N 3.22Å; Y278-Y283 HydrophobicContact CD1-CE2 4.33Å; Y278-Y283 AromaticContact CE1-CE2 3.77Å; Y278-Y283 HydrophobicContact CE1-CE2 3.77Å
279	R	88.5	Confident	88.2	Confident	25 Å²	25	30.8 Å²	30.8	9%	0.094	15%	0.146	C	C	.	.	H	α-helix	trans	-59.3	-41.5	177.2	-67.8	-64.2	-175	177.3	5.6	110.8	G248 G249 D254 L275 L276 Y283 F284	G248-R279 PolarHBondContact O-NH1 2.97Å; G249-R279 PolarHBondContact O-NH2 3.46Å; D254-R279 IonicContact OD1-CZ 3.75Å; D254-R279 IonicContact OD1-NE 3.92Å; D254-R279 PolarHBondContact OD1-NE 3.2Å; D254-R279 IonicContact OD1-NH2 2.64Å; D254-R279 PolarHBondContact OD1-NH2 2.91Å; D254-R279 IonicContact OD2-CZ 3.28Å; D254-R279 IonicContact OD2-NE 3.12Å; D254-R279 IonicContact OD2-NH2 2.82Å; D254-R279 PolarHBondContact OD2-NH2 3.42Å; L275-R279 VanDerWaalsContact O-CG 3.28Å; L275-R279 WeakPolarHBondContact O-CG 3.33Å; L275-R279 PolarHBondContact O-N 3.19Å; L276-R279 PolarHBondContact O-N 3.34Å; R279-Y283 VanDerWaalsContact NH1-CZ 3.28Å; R279-Y283 PolarHBondContact NH1-OH 3.5Å; R279-Y283 VanDerWaalsContact O-CB 3.28Å; R279-Y283 WeakPolarHBondContact O-CB 3.4Å; R279-Y283 PolarHBondContact O-N 2.91Å; R279-Y283 VanDerWaalsContact O-N 3.1Å; R279-F284 PolarHBondContact O-N 3.49Å
280	F	85.4	Confident	88.2	Confident	90 Å²	90	28.3 Å²	28.3	40%	0.395	14%	0.135	S	C	.	.	I	π-helix	trans	-65.6	-50.7	177	-161.8	-91.9	0	0	0	112.4	F57 L276 L277 Y278 F284 V285	F57-F280 AromaticContact CD1-CD1 3.97Å; F57-F280 HydrophobicContact CD1-CD1 3.97Å; F57-F280 HydrophobicContact CD2-CE1 4.28Å; F57-F280 AromaticContact CE1-CD1 3.47Å; F57-F280 HydrophobicContact CE1-CD1 3.47Å; F57-F280 VanDerWaalsContact CE1-CD1 3.47Å; F57-F280 HydrophobicContact CE1-CE1 4.13Å; F57-F280 HydrophobicContact CE1-CG 4.4Å; F57-F280 HydrophobicContact CE2-CD1 4.05Å; F57-F280 AromaticContact CE2-CE1 3.86Å; F57-F280 HydrophobicContact CE2-CE1 3.86Å; F57-F280 HydrophobicContact CG-CD1 4.48Å; F57-F280 AromaticContact CZ-CD1 3.5Å; F57-F280 HydrophobicContact CZ-CD1 3.5Å; F57-F280 VanDerWaalsContact CZ-CD1 3.5Å; F57-F280 AromaticContact CZ-CE1 3.78Å; F57-F280 HydrophobicContact CZ-CE1 3.78Å; F57-F280 HydrophobicContact CZ-CG 4.5Å; L276-F280 WeakPolarHBondContact O-CB 3.32Å; L276-F280 PolarHBondContact O-N 2.95Å; L277-F280 PolarHBondContact O-N 2.99Å; Y278-F280 VanDerWaalsContact C-N 3.26Å; Y278-F280 PolarHBondContact O-N 2.87Å; F280-F284 HydrophobicContact CD2-CB 4.13Å; F280-F284 HydrophobicContact CD2-CD2 4.42Å; F280-F284 HydrophobicContact CD2-CG 4.4Å; F280-F284 HydrophobicContact CE2-CB 4.41Å; F280-F284 HydrophobicContact CG-CB 4.46Å; F280-F284 WeakPolarHBondContact O-CB 3.46Å; F280-F284 PolarHBondContact O-N 3.49Å; F280-V285 HydrophobicContact CD1-CG2 3.84Å; F280-V285 HydrophobicContact CE1-CG2 3.75Å; F280-V285 WeakPolarHBondContact O-CG2 3.29Å; F280-V285 PolarHBondContact O-N 2.89Å
281	A	90.1	Very high	87.9	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.13	C	C	.	.	I	π-helix	trans	-67.8	-41.6	-176	0	0	0	0	0	113.4	L56 F57 G60 V213 L277 Y278 P286	L56-A281 HydrophobicContact CD1-CB 4.45Å; L56-A281 HydrophobicContact CD2-CB 4.29Å; L56-A281 HydrophobicContact CG-CB 3.91Å; F57-A281 HydrophobicContact CD1-CB 3.9Å; F57-A281 HydrophobicContact CE1-CB 4.42Å; G60-A281 CarbonylContact C-O 3.56Å; G60-A281 VanDerWaalsContact C-O 3.31Å; G60-A281 WeakPolarHBondContact CA-O 3.39Å; V213-A281 HydrophobicContact CG1-CB 4.34Å; L277-A281 VanDerWaalsContact O-CB 3.28Å; L277-A281 WeakPolarHBondContact O-CB 3.38Å; L277-A281 PolarHBondContact O-N 3.44Å; Y278-A281 PolarHBondContact O-N 3.36Å; A281-P286 VanDerWaalsContact O-CD 3.29Å; A281-P286 WeakPolarHBondContact O-CD 3.41Å
282	Y	86.9	Confident	87.6	Confident	18 Å²	18	28.8 Å²	28.8	7%	0.071	14%	0.138	C	C	.	.	I	π-helix	trans	-95.5	-19.6	-171.9	-164.9	-94.8	0	0	0	114	S63 A210 V213 Y278 P286	S63-Y282 WeakPolarHBondContact OG-CD2 3.28Å; S63-Y282 VanDerWaalsContact OG-CE2 3.25Å; S63-Y282 WeakPolarHBondContact OG-CE2 3.48Å; A210-Y282 HydrophobicContact CB-CE1 4.45Å; A210-Y282 HydrophobicContact CB-CE2 3.79Å; V213-Y282 HydrophobicContact CB-CD2 4.49Å; V213-Y282 HydrophobicContact CG1-CD2 4.49Å; V213-Y282 HydrophobicContact CG2-CD2 4.44Å; Y278-Y282 HydrophobicContact CE2-CD2 4.38Å; Y278-Y282 HydrophobicContact CE2-CG 4.06Å; Y278-Y282 WeakPolarHBondContact O-CB 3.49Å; Y278-Y282 PolarHBondContact O-N 3.22Å; Y282-P286 WeakPolarHBondContact O-CG 3.28Å
283	Y	82.6	Confident	87.5	Confident	38 Å²	38	30 Å²	30	15%	0.149	14%	0.144	C	C	.	.	I	π-helix	trans	-115.9	-56.9	-179.5	-58.8	-103.7	0	0	0	111.8	A99 Y278 R279 V287	A99-Y283 HydrophobicContact CB-CD1 4.24Å; Y278-Y283 HydrophobicContact CD1-CE2 4.33Å; Y278-Y283 AromaticContact CE1-CE2 3.77Å; Y278-Y283 HydrophobicContact CE1-CE2 3.77Å; R279-Y283 VanDerWaalsContact NH1-CZ 3.28Å; R279-Y283 PolarHBondContact NH1-OH 3.5Å; R279-Y283 VanDerWaalsContact O-CB 3.28Å; R279-Y283 WeakPolarHBondContact O-CB 3.4Å; R279-Y283 PolarHBondContact O-N 2.91Å; R279-Y283 VanDerWaalsContact O-N 3.1Å; Y283-V287 WeakPolarHBondContact O-CB 3.4Å; Y283-V287 WeakPolarHBondContact O-CG2 3.3Å; Y283-V287 PolarHBondContact O-N 2.93Å
284	F	82.3	Confident	87.1	Confident	103 Å²	103	29.8 Å²	29.8	45%	0.452	14%	0.144	S	C	.	.	I	π-helix	trans	-69.3	-48.4	-173.6	-75.9	-84.2	0	0	0	113.1	R279 F280 V287 I288	R279-F284 PolarHBondContact O-N 3.49Å; F280-F284 HydrophobicContact CD2-CB 4.13Å; F280-F284 HydrophobicContact CD2-CD2 4.42Å; F280-F284 HydrophobicContact CD2-CG 4.4Å; F280-F284 HydrophobicContact CE2-CB 4.41Å; F280-F284 HydrophobicContact CG-CB 4.46Å; F280-F284 WeakPolarHBondContact O-CB 3.46Å; F280-F284 PolarHBondContact O-N 3.49Å; F284-V287 PolarHBondContact O-N 3.44Å; F284-I288 WeakPolarHBondContact O-CG1 3.46Å; F284-I288 PolarHBondContact O-N 3.45Å
285	V	86.9	Confident	86.3	Confident	20 Å²	20	30.2 Å²	30.2	12%	0.121	15%	0.147	C	C	.	.	H	α-helix	trans	-59.7	-49.1	-179.5	170.7	0	0	0	0	111.7	F57 F280 V287 I288 I289	F57-V285 HydrophobicContact CB-CG2 4.1Å; F57-V285 HydrophobicContact CD1-CG2 4.39Å; F57-V285 HydrophobicContact CG-CG2 4.16Å; F280-V285 HydrophobicContact CD1-CG2 3.84Å; F280-V285 HydrophobicContact CE1-CG2 3.75Å; F280-V285 WeakPolarHBondContact O-CG2 3.29Å; F280-V285 PolarHBondContact O-N 2.89Å; V285-V287 VanDerWaalsContact C-N 3.29Å; V285-V287 PolarHBondContact O-N 3.33Å; V285-I288 WeakPolarHBondContact O-CB 2.9Å; V285-I288 PolarHBondContact O-N 3.16Å; V285-I289 HydrophobicContact CG1-CD1 3.93Å; V285-I289 WeakPolarHBondContact O-CG1 3.14Å; V285-I289 PolarHBondContact O-N 2.99Å
286	P	88.9	Confident	85.6	Confident	2 Å²	2	33.8 Å²	33.8	1%	0.013	16%	0.162	C	C	.	.	H	α-helix	trans	-61.4	-35.6	176.2	-24.8	33.7	0	0	0	113.6	L64 Y92 A96 A281 Y282 I289 A290	L64-P286 HydrophobicContact CB-CB 4.26Å; L64-P286 HydrophobicContact CB-CG 4.49Å; L64-P286 HydrophobicContact CD2-CB 3.7Å; L64-P286 HydrophobicContact CG-CB 4.4Å; Y92-P286 HydrophobicContact CE1-CB 4.36Å; Y92-P286 WeakPolarHBondContact CE1-O 3.29Å; Y92-P286 WeakPolarHBondContact OH-CA 3.39Å; A96-P286 HydrophobicContact CB-CB 4.4Å; A281-P286 VanDerWaalsContact O-CD 3.29Å; A281-P286 WeakPolarHBondContact O-CD 3.41Å; Y282-P286 WeakPolarHBondContact O-CG 3.28Å; P286-I289 PolarHBondContact O-N 2.91Å; P286-A290 VanDerWaalsContact O-CB 3.31Å; P286-A290 WeakPolarHBondContact O-CB 3.44Å; P286-A290 PolarHBondContact O-N 3.18Å
287	V	83.7	Confident	85.1	Confident	16 Å²	16	30.5 Å²	30.5	10%	0.097	15%	0.145	C	C	.	.	H	α-helix	trans	-67.7	-42.4	176.5	167.7	0	0	0	0	111.3	A96 I100 Y283 F284 V285 I289 A290 L291	A96-V287 HydrophobicContact CB-CG2 4.2Å; A96-V287 WeakPolarHBondContact O-CG2 3.5Å; I100-V287 HydrophobicContact CD1-CB 3.76Å; I100-V287 HydrophobicContact CD1-CG1 3.6Å; I100-V287 HydrophobicContact CD1-CG2 3.19Å; I100-V287 HydrophobicContact CG1-CG2 3.56Å; Y283-V287 WeakPolarHBondContact O-CB 3.4Å; Y283-V287 WeakPolarHBondContact O-CG2 3.3Å; Y283-V287 PolarHBondContact O-N 2.93Å; F284-V287 PolarHBondContact O-N 3.44Å; V285-V287 VanDerWaalsContact C-N 3.29Å; V285-V287 PolarHBondContact O-N 3.33Å; V287-I289 VanDerWaalsContact C-N 3.32Å; V287-I289 PolarHBondContact O-N 2.8Å; V287-A290 CarbonylContact O-C 3.39Å; V287-A290 WeakPolarHBondContact O-CB 3.15Å; V287-A290 PolarHBondContact O-N 2.9Å; V287-L291 HydrophobicContact CG1-CD1 4.11Å; V287-L291 HydrophobicContact CG1-CG 4.2Å; V287-L291 VanDerWaalsContact O-CG 3.24Å; V287-L291 WeakPolarHBondContact O-CG 3.44Å; V287-L291 PolarHBondContact O-N 2.96Å
288	I	84.9	Confident	84.1	Confident	47 Å²	47	30.7 Å²	30.7	24%	0.241	15%	0.145	C	C	.	.	H	α-helix	trans	-56.8	-48.2	173.9	-73.1	168.9	0	0	0	110.3	F284 V285 A290 L291 I292 L341 W424	F284-I288 WeakPolarHBondContact O-CG1 3.46Å; F284-I288 PolarHBondContact O-N 3.45Å; V285-I288 WeakPolarHBondContact O-CB 2.9Å; V285-I288 PolarHBondContact O-N 3.16Å; I288-A290 VanDerWaalsContact C-N 3.33Å; I288-A290 PolarHBondContact O-N 3.06Å; I288-L291 PolarHBondContact O-N 3.25Å; I288-I292 HydrophobicContact CG2-CD1 3.99Å; I288-I292 VanDerWaalsContact O-CG1 3.3Å; I288-I292 WeakPolarHBondContact O-CG1 3Å; I288-I292 PolarHBondContact O-N 3.19Å; I288-L341 HydrophobicContact CG2-CD2 4.27Å; I288-W424 HydrophobicContact CD1-CH2 4.38Å; I288-W424 HydrophobicContact CG1-CH2 4.46Å; I288-W424 HydrophobicContact CG2-CH2 3.72Å; I288-W424 HydrophobicContact CG2-CZ3 3.49Å; I288-W424 VanDerWaalsContact CG2-CZ3 3.49Å
289	I	89.5	Confident	82.4	Confident	62 Å²	62	31.6 Å²	31.6	32%	0.318	16%	0.156	S	C	.	.	H	α-helix	trans	-60	-44.4	176.9	-65.3	165.8	0	0	0	110.4	Y92 V285 P286 V287 L291 I292 L293	Y92-I289 HydrophobicContact CD1-CG2 4.12Å; Y92-I289 HydrophobicContact CE1-CB 3.74Å; Y92-I289 HydrophobicContact CE1-CG2 3.45Å; Y92-I289 VanDerWaalsContact CE1-CG2 3.45Å; Y92-I289 WeakPolarHBondContact OH-CD1 3.21Å; V285-I289 HydrophobicContact CG1-CD1 3.93Å; V285-I289 WeakPolarHBondContact O-CG1 3.14Å; V285-I289 PolarHBondContact O-N 2.99Å; P286-I289 PolarHBondContact O-N 2.91Å; V287-I289 VanDerWaalsContact C-N 3.32Å; V287-I289 PolarHBondContact O-N 2.8Å; I289-L291 PolarHBondContact O-N 2.91Å; I289-I292 PolarHBondContact O-N 3.41Å; I289-L293 HydrophobicContact CG2-CD1 3.91Å; I289-L293 HydrophobicContact CG2-CG 4.28Å; I289-L293 WeakPolarHBondContact O-CB 2.92Å; I289-L293 VanDerWaalsContact O-CG 3.32Å; I289-L293 WeakPolarHBondContact O-CG 3.44Å; I289-L293 PolarHBondContact O-N 3Å
290	A	87.4	Confident	80.7	Confident	1 Å²	1	34.8 Å²	34.8	1%	0.008	18%	0.178	C	C	.	.	H	α-helix	trans	-63	-40.2	177.1	0	0	0	0	0	113	Y92 I93 A96 P286 V287 I288 L293 S294	Y92-A290 HydrophobicContact CD1-CB 4.33Å; I93-A290 HydrophobicContact CB-CB 4.42Å; I93-A290 HydrophobicContact CG1-CB 4.33Å; I93-A290 HydrophobicContact CG2-CB 4.46Å; A96-A290 HydrophobicContact CB-CB 3.39Å; P286-A290 VanDerWaalsContact O-CB 3.31Å; P286-A290 WeakPolarHBondContact O-CB 3.44Å; P286-A290 PolarHBondContact O-N 3.18Å; V287-A290 CarbonylContact O-C 3.39Å; V287-A290 WeakPolarHBondContact O-CB 3.15Å; V287-A290 PolarHBondContact O-N 2.9Å; I288-A290 VanDerWaalsContact C-N 3.33Å; I288-A290 PolarHBondContact O-N 3.06Å; A290-L293 PolarHBondContact O-N 3.4Å; A290-S294 WeakPolarHBondContact O-CB 3.34Å; A290-S294 PolarHBondContact O-N 3.48Å; A290-S294 PolarHBondContact O-OG 3.42Å
291	L	83.5	Confident	78.9	Confident	13 Å²	13	33.1 Å²	33.1	7%	0.068	18%	0.178	C	C	.	.	H	α-helix	trans	-63.6	-43.5	175.7	-68	176.9	0	0	0	110.5	V287 I288 I289 S294 S295 S337 I340 L341	V287-L291 HydrophobicContact CG1-CD1 4.11Å; V287-L291 HydrophobicContact CG1-CG 4.2Å; V287-L291 VanDerWaalsContact O-CG 3.24Å; V287-L291 WeakPolarHBondContact O-CG 3.44Å; V287-L291 PolarHBondContact O-N 2.96Å; I288-L291 PolarHBondContact O-N 3.25Å; I289-L291 PolarHBondContact O-N 2.91Å; L291-S294 PolarHBondContact O-N 3.42Å; L291-S294 PolarHBondContact O-OG 3.49Å; L291-S295 PolarHBondContact O-N 3.19Å; L291-S337 WeakPolarHBondContact CD2-OG 3.34Å; L291-S337 WeakPolarHBondContact O-CB 3.42Å; L291-I340 HydrophobicContact CD1-CB 4.41Å; L291-I340 HydrophobicContact CD1-CG2 3.85Å; L291-L341 HydrophobicContact CB-CD1 3.95Å; L291-L341 HydrophobicContact CB-CD2 4.11Å; L291-L341 HydrophobicContact CB-CG 3.95Å; L291-L341 HydrophobicContact CD1-CD2 4.08Å; L291-L341 HydrophobicContact CD1-CG 4.15Å
292	I	84.9	Confident	76.7	Confident	35 Å²	35	33.9 Å²	33.9	18%	0.179	18%	0.184	C	C	.	.	H	α-helix	trans	-60.4	-53.1	174.2	-64.6	167.1	0	0	0	110.1	I288 I289 S294 S295 F296 L341 I427 L431	I288-I292 HydrophobicContact CG2-CD1 3.99Å; I288-I292 VanDerWaalsContact O-CG1 3.3Å; I288-I292 WeakPolarHBondContact O-CG1 3Å; I288-I292 PolarHBondContact O-N 3.19Å; I289-I292 PolarHBondContact O-N 3.41Å; I292-S294 VanDerWaalsContact C-N 3.31Å; I292-S294 PolarHBondContact O-N 2.87Å; I292-S295 WeakPolarHBondContact O-CB 3.35Å; I292-S295 PolarHBondContact O-N 2.91Å; I292-S295 VanDerWaalsContact O-N 3.15Å; I292-S295 PolarHBondContact O-OG 3.24Å; I292-F296 HydrophobicContact CG2-CE2 4.09Å; I292-F296 VanDerWaalsContact O-CD2 3.25Å; I292-F296 WeakPolarHBondContact O-CD2 3.42Å; I292-L341 HydrophobicContact CG1-CD1 3.91Å; I292-I427 HydrophobicContact CD1-CG2 4.13Å; I292-L431 HydrophobicContact CG1-CD1 4.22Å
293	L	87.1	Confident	74.5	Confident	44 Å²	44	39.5 Å²	39.5	23%	0.23	21%	0.209	C	C	.	.	H	α-helix	trans	-59.1	-40.7	179.3	-71.4	174.7	0	0	0	112.4	R89 Y92 I93 I289 A290 S295 F296 E297	R89-L293 HydrophobicContact CG-CD2 4.33Å; Y92-L293 HydrophobicContact CD1-CD1 3.97Å; Y92-L293 HydrophobicContact CG-CD1 4.36Å; I93-L293 HydrophobicContact CD1-CB 3.93Å; I93-L293 HydrophobicContact CG1-CB 3.93Å; I289-L293 HydrophobicContact CG2-CD1 3.91Å; I289-L293 HydrophobicContact CG2-CG 4.28Å; I289-L293 WeakPolarHBondContact O-CB 2.92Å; I289-L293 VanDerWaalsContact O-CG 3.32Å; I289-L293 WeakPolarHBondContact O-CG 3.44Å; I289-L293 PolarHBondContact O-N 3Å; A290-L293 PolarHBondContact O-N 3.4Å; L293-S295 PolarHBondContact O-N 3.33Å; L293-F296 PolarHBondContact O-N 3.47Å; L293-E297 PolarHBondContact O-N 3.48Å
294	S	82.5	Confident	72.8	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.014	24%	0.239	C	C	.	.	H	α-helix	trans	-62.8	-29.8	-179.9	75.6	0	0	0	0	112.9	A290 L291 I292 F296 F298 S337	A290-S294 WeakPolarHBondContact O-CB 3.34Å; A290-S294 PolarHBondContact O-N 3.48Å; A290-S294 PolarHBondContact O-OG 3.42Å; L291-S294 PolarHBondContact O-N 3.42Å; L291-S294 PolarHBondContact O-OG 3.49Å; I292-S294 VanDerWaalsContact C-N 3.31Å; I292-S294 PolarHBondContact O-N 2.87Å; S294-F296 PolarHBondContact O-N 2.89Å; S294-F298 PolarHBondContact O-N 3.31Å; S294-S337 VanDerWaalsContact OG-CB 3.22Å; S294-S337 WeakPolarHBondContact OG-CB 3.26Å; S294-S337 PolarHBondContact OG-OG 2.93Å
295	S	74	Confident	71	Confident	10 Å²	10	46.5 Å²	46.5	7%	0.07	24%	0.238	C	C	.	.	H	α-helix	trans	-64	-27.8	176.3	79.5	0	0	0	0	112.6	L291 I292 L293 L431 R438	L291-S295 PolarHBondContact O-N 3.19Å; I292-S295 WeakPolarHBondContact O-CB 3.35Å; I292-S295 PolarHBondContact O-N 2.91Å; I292-S295 VanDerWaalsContact O-N 3.15Å; I292-S295 PolarHBondContact O-OG 3.24Å; L293-S295 PolarHBondContact O-N 3.33Å; S295-L431 WeakPolarHBondContact OG-CD2 3.36Å; S295-R438 PolarHBondContact O-NH1 3.14Å
296	F	78.4	Confident	68.8	Low	83 Å²	83	50.5 Å²	50.5	36%	0.364	26%	0.257	S	S	.	.	H	α-helix	trans	-92.7	-48.5	178.3	-62.5	-75.6	0	0	0	112.6	I292 L293 S294 L431 V434	I292-F296 HydrophobicContact CG2-CE2 4.09Å; I292-F296 VanDerWaalsContact O-CD2 3.25Å; I292-F296 WeakPolarHBondContact O-CD2 3.42Å; L293-F296 PolarHBondContact O-N 3.47Å; S294-F296 PolarHBondContact O-N 2.89Å; F296-L431 HydrophobicContact CE2-CD2 3.58Å; F296-L431 HydrophobicContact CZ-CD2 3.54Å; F296-V434 HydrophobicContact CE1-CG2 4.24Å
297	E	77.4	Confident	66.6	Low	19 Å²	19	57.6 Å²	57.6	9%	0.089	29%	0.29	C	S	.	.	H	α-helix	trans	-71	-45.5	-169.4	-73.3	-54.7	119.4	0	0	114.6	R89 I93 L293 G299	R89-E297 HydrophobicContact CB-CG 4.18Å; R89-E297 IonicContact CZ-OE1 2.95Å; R89-E297 IonicContact CZ-OE2 3.33Å; R89-E297 IonicContact NE-OE1 2.79Å; R89-E297 PolarHBondContact NE-OE1 3.29Å; R89-E297 IonicContact NH1-OE1 3.81Å; R89-E297 PolarHBondContact NH1-OE1 3.48Å; R89-E297 IonicContact NH2-OE1 3.66Å; R89-E297 PolarHBondContact NH2-OE1 2.92Å; R89-E297 IonicContact NH2-OE2 2.88Å; I93-E297 HydrophobicContact CD1-CB 4.3Å; I93-E297 HydrophobicContact CD1-CG 4.25Å; L293-E297 PolarHBondContact O-N 3.48Å; E297-G299 VanDerWaalsContact C-N 3.35Å
298	F	69.9	Low	64.6	Low	11 Å²	11	60 Å²	60	5%	0.048	32%	0.318	C	S	.	.	H	α-helix	trans	-84.4	-13.1	-174.8	-66.8	-69	0	0	0	113.1	I93 V115 S294 T300 A302 I330 I333 P334	I93-F298 HydrophobicContact CD1-CD2 4.5Å; I93-F298 HydrophobicContact CD1-CE2 3.87Å; I93-F298 HydrophobicContact CG2-CE2 4.07Å; V115-F298 HydrophobicContact CG2-CE1 3.83Å; V115-F298 HydrophobicContact CG2-CZ 4.33Å; S294-F298 PolarHBondContact O-N 3.31Å; F298-T300 VanDerWaalsContact C-N 3.33Å; F298-T300 PolarHBondContact O-N 3.23Å; F298-A302 PolarHBondContact O-N 2.96Å; F298-I330 HydrophobicContact CB-CG2 4.48Å; F298-I330 HydrophobicContact CD1-CG2 3.88Å; F298-I330 HydrophobicContact CG-CG2 4.36Å; F298-I333 HydrophobicContact CD2-CG2 4.07Å; F298-P334 HydrophobicContact CB-CG 4Å
299	G	55.7	Low	62.5	Low	24 Å²	24	60.7 Å²	60.7	25%	0.247	33%	0.327	C	S	.	.	H	α-helix	trans	-64.8	-29.7	-176.5	0	0	0	0	0	115	E297	E297-G299 VanDerWaalsContact C-N 3.35Å
300	T	51.8	Low	60.1	Low	93 Å²	93	66.4 Å²	66.4	57%	0.571	35%	0.35	S	S	*	.	H	α-helix	trans	-93.1	-34.3	-179.5	52.1	0	0	0	0	112.8	F298 A302 K303	F298-T300 VanDerWaalsContact C-N 3.33Å; F298-T300 PolarHBondContact O-N 3.23Å; T300-A302 VanDerWaalsContact C-N 3.27Å; T300-A302 PolarHBondContact O-N 2.68Å; T300-K303 PolarHBondContact O-N 3.03Å
301	S	47.9	Very low	57.8	Low	54 Å²	54	75.8 Å²	75.8	38%	0.378	39%	0.386	S	S	.	.	H	α-helix	trans	-67.2	-27.6	-178.4	-58.8	0	0	0	0	112.6	K303	S301-K303 VanDerWaalsContact C-N 3.34Å; S301-K303 PolarHBondContact O-N 3.42Å
302	A	44.8	Very low	55.7	Low	16 Å²	16	85.1 Å²	85.1	13%	0.132	43%	0.427	C	S	.	.	H	α-helix	trans	-66.5	-32.4	175.4	0	0	0	0	0	113.2	F298 T300 I306 A331	F298-A302 PolarHBondContact O-N 2.96Å; T300-A302 VanDerWaalsContact C-N 3.27Å; T300-A302 PolarHBondContact O-N 2.68Å; A302-I306 WeakPolarHBondContact O-CD1 3.2Å; A302-I306 VanDerWaalsContact O-CG1 3.29Å; A302-I306 WeakPolarHBondContact O-CG1 3.33Å; A302-I306 PolarHBondContact O-N 3.18Å; A302-A331 HydrophobicContact CB-CB 3.81Å
303	K	41.1	Very low	53.6	Low	136 Å²	136	90.7 Å²	90.7	59%	0.591	46%	0.455	S	S	*	.	H	α-helix	trans	-70.9	-43.9	-175.6	-155.9	178.3	-179.7	-171.2	0	111.9	T300 S301 Y305	T300-K303 PolarHBondContact O-N 3.03Å; S301-K303 VanDerWaalsContact C-N 3.34Å; S301-K303 PolarHBondContact O-N 3.42Å; K303-Y305 VanDerWaalsContact C-N 3.3Å; K303-Y305 PolarHBondContact O-N 3.4Å
304	K	45.4	Very low	51	Low	182 Å²	182	93.6 Å²	93.6	79%	0.791	48%	0.477	S	S	*	.	H	α-helix	trans	-69.9	-20.4	178.3	-94.5	-176.6	173.4	-177.5	0	114.7
305	Y	44.3	Very low	48.8	Very low	107 Å²	107	97.2 Å²	97.2	42%	0.42	51%	0.507	S	S	.	.	H	α-helix	trans	-91.5	-26.8	-177.8	-138.8	-82.4	0	0	0	112.8	K303	K303-Y305 VanDerWaalsContact C-N 3.3Å; K303-Y305 PolarHBondContact O-N 3.4Å
306	I	41.7	Very low	47	Very low	103 Å²	103	105.5 Å²	105.5	53%	0.528	54%	0.541	S	S	.	.	H	α-helix	trans	-71.2	-37.3	176.6	-68.4	167.2	0	0	0	110.8	A302 G308	A302-I306 WeakPolarHBondContact O-CD1 3.2Å; A302-I306 VanDerWaalsContact O-CG1 3.29Å; A302-I306 WeakPolarHBondContact O-CG1 3.33Å; A302-I306 PolarHBondContact O-N 3.18Å; I306-G308 VanDerWaalsContact C-N 3.26Å; I306-G308 PolarHBondContact O-N 2.94Å
307	E	42.3	Very low	45.3	Very low	152 Å²	152	108.1 Å²	108.1	71%	0.71	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	-12.7	179.5	-71.7	166.7	-173	0	0	113.3
308	G	42.7	Very low	43.6	Very low	66 Å²	66	112.1 Å²	112.1	68%	0.68	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.2	2.7	-167.5	0	0	0	0	0	117.5	I306	I306-G308 VanDerWaalsContact C-N 3.26Å; I306-G308 PolarHBondContact O-N 2.94Å
309	S	40.8	Very low	42.4	Very low	61 Å²	61	115.5 Å²	115.5	43%	0.427	61%	0.606	S	S	.	*			trans	-129.1	52	-171.4	83.7	0	0	0	0	115.2	Y311	S309-Y311 PolarHBondContact O-N 3.09Å
310	K	37.5	Very low	41.9	Very low	183 Å²	183	116.4 Å²	116.4	80%	0.796	61%	0.609	S	S	*	*	S	Bend	trans	-74.3	-1.6	172.4	-134.2	176.8	-173.8	179.6	0	114.3
311	Y	40.9	Very low	41.4	Very low	197 Å²	197	118 Å²	118	77%	0.773	61%	0.608	S	S	*	*			trans	-146.2	109.8	177.3	-65.8	-82.7	0	0	0	111.2	S309	S309-Y311 PolarHBondContact O-N 3.09Å
312	F	38.5	Very low	41.1	Very low	210 Å²	210	119.8 Å²	119.8	92%	0.921	61%	0.613	S	S	*	*			trans	-158.6	105.7	150	-112	-75	0	0	0	111.4
313	I	40.6	Very low	41.1	Very low	151 Å²	151	123.3 Å²	123.3	77%	0.774	63%	0.628	S	S	*	*			trans	-69.9	152.6	175	-70	165.7	0	0	0	109.9
314	P	32.7	Very low	41.5	Very low	106 Å²	106	119.5 Å²	119.5	69%	0.688	62%	0.619	S	S	*	*			trans	-85.1	144.7	-149.1	31.4	-31.4	0	0	0	114.7
315	A	36.9	Very low	41.6	Very low	78 Å²	78	117.8 Å²	117.8	65%	0.645	61%	0.608	S	S	*	*			trans	-124.6	109.4	167.2	0	0	0	0	0	110.4
316	K	35.4	Very low	42	Very low	183 Å²	183	116 Å²	116	80%	0.796	60%	0.603	S	S	*	*			trans	45.6	78.5	166.2	-76.6	-177.3	172.6	178.5	0	117.4	V318 T319	K316-V318 PolarHBondContact O-N 3.33Å; K316-T319 PolarHBondContact O-N 2.93Å
317	D	42.7	Very low	42.6	Very low	139 Å²	139	115.3 Å²	115.3	74%	0.743	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	30.6	-13.9	142.3	-57.9	-13.7	0	0	0	123.9
318	V	42.5	Very low	43.3	Very low	102 Å²	102	113.1 Å²	113.1	62%	0.618	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.8	-38.4	171	-177.6	0	0	0	0	110.6	K316 F321 L322	K316-V318 PolarHBondContact O-N 3.33Å; V318-F321 PolarHBondContact O-N 3.22Å; V318-L322 HydrophobicContact CG1-CD1 4.43Å; V318-L322 WeakPolarHBondContact O-CG 3.24Å; V318-L322 PolarHBondContact O-N 3.22Å
319	T	44.6	Very low	44.2	Very low	82 Å²	82	113.7 Å²	113.7	50%	0.503	58%	0.576	S	S	.	*	H	α-helix	trans	-73.3	-37.9	-179.9	-23.3	0	0	0	0	111.5	K316 M323	K316-T319 PolarHBondContact O-N 2.93Å; T319-M323 HydrophobicContact CG2-CE 4.31Å; T319-M323 VanDerWaalsContact O-CB 3.24Å; T319-M323 WeakPolarHBondContact O-CB 3.49Å; T319-M323 VanDerWaalsContact O-CG 3.27Å; T319-M323 WeakPolarHBondContact O-CG 3.41Å; T319-M323 PolarHBondContact O-N 2.8Å
320	S	45.3	Very low	45	Very low	44 Å²	44	112 Å²	112	31%	0.308	56%	0.563	S	S	.	*	H	α-helix	trans	-67.5	-38.1	174.6	56.3	0	0	0	0	111.8	M323 S324	S320-M323 PolarHBondContact O-N 2.74Å; S320-S324 VanDerWaalsContact O-CB 3.31Å; S320-S324 WeakPolarHBondContact O-CB 3.36Å; S320-S324 PolarHBondContact O-N 3.04Å; S320-S324 PolarHBondContact O-OG 2.88Å; S320-S324 VanDerWaalsContact O-OG 3.14Å
321	F	41.1	Very low	46.3	Very low	126 Å²	126	104.9 Å²	104.9	55%	0.553	54%	0.538	S	S	*	.	H	α-helix	trans	-64.5	-49	175.5	-178.4	-97.7	0	0	0	111.4	V318 M323 S324 Y325	V318-F321 PolarHBondContact O-N 3.22Å; F321-M323 VanDerWaalsContact C-N 3.35Å; F321-M323 PolarHBondContact O-N 3.38Å; F321-S324 PolarHBondContact O-N 3.36Å; F321-S324 PolarHBondContact O-OG 2.87Å; F321-S324 VanDerWaalsContact O-OG 3.09Å; F321-Y325 HydrophobicContact CZ-CD2 4.42Å; F321-Y325 VanDerWaalsContact O-CB 3.31Å; F321-Y325 WeakPolarHBondContact O-CB 3.46Å; F321-Y325 PolarHBondContact O-N 3.37Å
322	L	41.6	Very low	47.8	Very low	92 Å²	92	99.9 Å²	99.9	48%	0.482	52%	0.52	S	S	.	.	H	α-helix	trans	-63.2	-41.5	175.7	-71.9	171.9	0	0	0	111.4	V318 Q326	V318-L322 HydrophobicContact CG1-CD1 4.43Å; V318-L322 WeakPolarHBondContact O-CG 3.24Å; V318-L322 PolarHBondContact O-N 3.22Å; L322-Q326 WeakPolarHBondContact O-CB 3.18Å; L322-Q326 VanDerWaalsContact O-CD 3.26Å; L322-Q326 WeakPolarHBondContact O-CG 3.31Å; L322-Q326 PolarHBondContact O-N 3.47Å
323	M	44.9	Very low	49.5	Very low	89 Å²	89	91 Å²	91	44%	0.438	48%	0.482	S	S	.	.	H	α-helix	trans	-69.6	-38	178.7	-78	-173.1	-179.9	0	0	113.4	T319 S320 F321 K327	T319-M323 HydrophobicContact CG2-CE 4.31Å; T319-M323 VanDerWaalsContact O-CB 3.24Å; T319-M323 WeakPolarHBondContact O-CB 3.49Å; T319-M323 VanDerWaalsContact O-CG 3.27Å; T319-M323 WeakPolarHBondContact O-CG 3.41Å; T319-M323 PolarHBondContact O-N 2.8Å; S320-M323 PolarHBondContact O-N 2.74Å; F321-M323 VanDerWaalsContact C-N 3.35Å; F321-M323 PolarHBondContact O-N 3.38Å; M323-K327 VanDerWaalsContact O-CG 3.29Å; M323-K327 WeakPolarHBondContact O-CG 3.28Å; M323-K327 PolarHBondContact O-N 3.36Å; M323-K327 VanDerWaalsContact O-N 3.11Å
324	S	48.3	Very low	51.4	Low	57 Å²	57	84.5 Å²	84.5	40%	0.399	45%	0.45	S	S	.	.	H	α-helix	trans	-68.3	-43	176.6	66.4	0	0	0	0	110.7	S320 F321 Q326 K327 D328	S320-S324 VanDerWaalsContact O-CB 3.31Å; S320-S324 WeakPolarHBondContact O-CB 3.36Å; S320-S324 PolarHBondContact O-N 3.04Å; S320-S324 PolarHBondContact O-OG 2.88Å; S320-S324 VanDerWaalsContact O-OG 3.14Å; F321-S324 PolarHBondContact O-N 3.36Å; F321-S324 PolarHBondContact O-OG 2.87Å; F321-S324 VanDerWaalsContact O-OG 3.09Å; S324-Q326 VanDerWaalsContact C-N 3.34Å; S324-Q326 PolarHBondContact O-N 3.36Å; S324-K327 PolarHBondContact O-N 2.93Å; S324-D328 PolarHBondContact O-N 3.38Å
325	Y	49	Very low	53.9	Low	146 Å²	146	79.9 Å²	79.9	57%	0.573	42%	0.42	S	S	*	.	H	α-helix	trans	-65	-38.6	176.3	-137.7	-99.8	0	0	0	111.8	F321 K327 I329	F321-Y325 HydrophobicContact CZ-CD2 4.42Å; F321-Y325 VanDerWaalsContact O-CB 3.31Å; F321-Y325 WeakPolarHBondContact O-CB 3.46Å; F321-Y325 PolarHBondContact O-N 3.37Å; Y325-K327 PolarHBondContact O-N 3.38Å; Y325-I329 HydrophobicContact CD1-CD1 3.65Å; Y325-I329 HydrophobicContact CD1-CG1 4.42Å; Y325-I329 HydrophobicContact CE1-CD1 4.17Å; Y325-I329 WeakPolarHBondContact O-CD1 3.31Å; Y325-I329 WeakPolarHBondContact O-CG1 3.34Å; Y325-I329 PolarHBondContact O-N 3.45Å
326	Q	52.9	Low	56.1	Low	68 Å²	68	79.4 Å²	79.4	32%	0.318	41%	0.406	S	S	.	.	H	α-helix	trans	-63.5	-37.8	175.6	-78.4	166.2	2.2	0	0	112.9	M114 L322 S324 I329 I330	M114-Q326 HydrophobicContact SD-CB 4.26Å; L322-Q326 WeakPolarHBondContact O-CB 3.18Å; L322-Q326 VanDerWaalsContact O-CD 3.26Å; L322-Q326 WeakPolarHBondContact O-CG 3.31Å; L322-Q326 PolarHBondContact O-N 3.47Å; S324-Q326 VanDerWaalsContact C-N 3.34Å; S324-Q326 PolarHBondContact O-N 3.36Å; Q326-I329 PolarHBondContact O-N 3.16Å; Q326-I330 WeakPolarHBondContact O-CG1 3.35Å; Q326-I330 PolarHBondContact O-N 3.47Å
327	K	53.9	Low	58.4	Low	89 Å²	89	71 Å²	71	39%	0.387	37%	0.37	S	S	.	.	H	α-helix	trans	-59.8	-49.1	178.8	-76.2	171.9	-175.4	-175	0	112	M114 M323 S324 Y325 I329 I330 A331	M114-K327 HydrophobicContact CE-CG 3.94Å; M323-K327 VanDerWaalsContact O-CG 3.29Å; M323-K327 WeakPolarHBondContact O-CG 3.28Å; M323-K327 PolarHBondContact O-N 3.36Å; M323-K327 VanDerWaalsContact O-N 3.11Å; S324-K327 PolarHBondContact O-N 2.93Å; Y325-K327 PolarHBondContact O-N 3.38Å; K327-I329 VanDerWaalsContact C-N 3.33Å; K327-I329 PolarHBondContact O-N 2.91Å; K327-I330 PolarHBondContact O-N 2.95Å; K327-A331 PolarHBondContact O-N 3.47Å
328	D	57.2	Low	60.7	Low	106 Å²	106	64.7 Å²	64.7	57%	0.567	34%	0.336	S	S	*	.	H	α-helix	trans	-68.6	-34.4	-179.6	-74.3	-8.6	0	0	0	112.3	S324 K332	S324-D328 PolarHBondContact O-N 3.38Å; D328-K332 WeakPolarHBondContact O-CG 3.44Å; D328-K332 PolarHBondContact O-N 3.18Å
329	I	60.2	Low	63	Low	78 Å²	78	60 Å²	60	40%	0.4	31%	0.309	S	S	.	.	H	α-helix	trans	-63.6	-47.5	176.3	-71.7	168.6	0	0	0	110	Y325 Q326 K327 A331 K332 I333	Y325-I329 HydrophobicContact CD1-CD1 3.65Å; Y325-I329 HydrophobicContact CD1-CG1 4.42Å; Y325-I329 HydrophobicContact CE1-CD1 4.17Å; Y325-I329 WeakPolarHBondContact O-CD1 3.31Å; Y325-I329 WeakPolarHBondContact O-CG1 3.34Å; Y325-I329 PolarHBondContact O-N 3.45Å; Q326-I329 PolarHBondContact O-N 3.16Å; K327-I329 VanDerWaalsContact C-N 3.33Å; K327-I329 PolarHBondContact O-N 2.91Å; I329-A331 PolarHBondContact O-N 2.93Å; I329-K332 CarbonylContact O-C 3.31Å; I329-K332 WeakPolarHBondContact O-CA 3.41Å; I329-K332 PolarHBondContact O-N 3.12Å; I329-I333 HydrophobicContact CG2-CG1 4.33Å; I329-I333 WeakPolarHBondContact O-CG1 3.49Å; I329-I333 PolarHBondContact O-N 2.94Å
330	I	59.4	Low	64.9	Low	27 Å²	27	58.9 Å²	58.9	14%	0.138	30%	0.299	C	S	.	.	H	α-helix	trans	-66.6	-40.7	-175.2	-69	160.1	0	0	0	112.4	M114 F298 Q326 K327 K332 I333	M114-I330 HydrophobicContact CE-CD1 3.44Å; M114-I330 VanDerWaalsContact CE-CD1 3.44Å; M114-I330 HydrophobicContact CG-CD1 4.1Å; M114-I330 HydrophobicContact SD-CD1 3.17Å; M114-I330 WeakPolarHBondContact SD-CD1 3.2Å; F298-I330 HydrophobicContact CB-CG2 4.48Å; F298-I330 HydrophobicContact CD1-CG2 3.88Å; F298-I330 HydrophobicContact CG-CG2 4.36Å; Q326-I330 WeakPolarHBondContact O-CG1 3.35Å; Q326-I330 PolarHBondContact O-N 3.47Å; K327-I330 PolarHBondContact O-N 2.95Å; I330-K332 PolarHBondContact O-N 2.91Å; I330-K332 VanDerWaalsContact O-N 3.15Å; I330-I333 HydrophobicContact CB-CD1 4.11Å; I330-I333 HydrophobicContact CG1-CD1 3.68Å; I330-I333 HydrophobicContact CG2-CD1 4.35Å; I330-I333 WeakPolarHBondContact O-CB 3.04Å; I330-I333 PolarHBondContact O-N 3.44Å
331	A	64.9	Low	67.1	Low	33 Å²	33	57 Å²	57	27%	0.273	29%	0.285	S	S	.	.	H	α-helix	trans	-59.2	-27.5	173.6	0	0	0	0	0	112.2	A302 K327 I329	A302-A331 HydrophobicContact CB-CB 3.81Å; K327-A331 PolarHBondContact O-N 3.47Å; I329-A331 PolarHBondContact O-N 2.93Å
332	K	71.7	Confident	69.6	Low	91 Å²	91	51 Å²	51	40%	0.396	26%	0.259	S	S	.	.	H	α-helix	trans	-96.2	-7.2	177.6	-65.4	178.3	-173.9	167	0	114	D328 I329 I330 S335 L336 Y391	D328-K332 WeakPolarHBondContact O-CG 3.44Å; D328-K332 PolarHBondContact O-N 3.18Å; I329-K332 CarbonylContact O-C 3.31Å; I329-K332 WeakPolarHBondContact O-CA 3.41Å; I329-K332 PolarHBondContact O-N 3.12Å; I330-K332 PolarHBondContact O-N 2.91Å; I330-K332 VanDerWaalsContact O-N 3.15Å; K332-S335 PolarHBondContact O-N 3.15Å; K332-S335 PolarHBondContact O-OG 2.87Å; K332-L336 VanDerWaalsContact O-CB 3.29Å; K332-L336 WeakPolarHBondContact O-CB 3.39Å; K332-L336 PolarHBondContact O-N 3.32Å; K332-Y391 HydrophobicContact CB-CE2 4.06Å; K332-Y391 HydrophobicContact CD-CE2 4.32Å; K332-Y391 WeakPolarHBondContact CD-OH 3.34Å
333	I	74.2	Confident	72	Confident	23 Å²	23	50.3 Å²	50.3	12%	0.118	25%	0.252	C	S	.	.	H	α-helix	trans	-53	-49.8	178.7	-78.9	172.4	0	0	0	111	F298 I329 I330 S335 L336 S337	F298-I333 HydrophobicContact CD2-CG2 4.07Å; I329-I333 HydrophobicContact CG2-CG1 4.33Å; I329-I333 WeakPolarHBondContact O-CG1 3.49Å; I329-I333 PolarHBondContact O-N 2.94Å; I330-I333 HydrophobicContact CB-CD1 4.11Å; I330-I333 HydrophobicContact CG1-CD1 3.68Å; I330-I333 HydrophobicContact CG2-CD1 4.35Å; I330-I333 WeakPolarHBondContact O-CB 3.04Å; I330-I333 PolarHBondContact O-N 3.44Å; I333-S335 VanDerWaalsContact C-N 3.33Å; I333-S335 PolarHBondContact O-N 3.2Å; I333-L336 PolarHBondContact O-N 3.45Å; I333-L336 VanDerWaalsContact O-N 3.11Å; I333-S337 WeakPolarHBondContact O-CB 3.3Å; I333-S337 PolarHBondContact O-N 3.37Å; I333-S337 PolarHBondContact O-OG 3.39Å
334	P	80.8	Confident	74.1	Confident	16 Å²	16	50.8 Å²	50.8	10%	0.104	25%	0.252	C	S	.	.	H	α-helix	trans	-55.1	-46.3	179.8	-29.2	36.5	0	0	0	113.5	F298 L338	F298-P334 HydrophobicContact CB-CG 4Å; P334-L338 WeakPolarHBondContact O-CB 3.39Å; P334-L338 PolarHBondContact O-N 2.88Å; P334-L338 VanDerWaalsContact O-N 3.08Å
335	S	84.1	Confident	76.2	Confident	8 Å²	8	48 Å²	48	6%	0.056	23%	0.233	C	C	.	.	H	α-helix	trans	-72.3	-32.4	178.6	42.3	0	0	0	0	112.9	K332 I333 A339 Y391 Q393	K332-S335 PolarHBondContact O-N 3.15Å; K332-S335 PolarHBondContact O-OG 2.87Å; I333-S335 VanDerWaalsContact C-N 3.33Å; I333-S335 PolarHBondContact O-N 3.2Å; S335-A339 WeakPolarHBondContact O-CB 3.33Å; S335-A339 PolarHBondContact O-N 3.38Å; S335-Y391 WeakPolarHBondContact CB-O 3.47Å; S335-Y391 PolarHBondContact OG-O 3.48Å; S335-Q393 PolarHBondContact OG-NE2 3.28Å
336	L	83.5	Confident	78.3	Confident	69 Å²	69	41.1 Å²	41.1	36%	0.361	21%	0.206	S	C	.	.	H	α-helix	trans	-68.6	-46.6	174.6	-179.1	63.9	0	0	0	110.8	K332 I333 L338 A339 I340 Y391	K332-L336 VanDerWaalsContact O-CB 3.29Å; K332-L336 WeakPolarHBondContact O-CB 3.39Å; K332-L336 PolarHBondContact O-N 3.32Å; I333-L336 PolarHBondContact O-N 3.45Å; I333-L336 VanDerWaalsContact O-N 3.11Å; L336-L338 VanDerWaalsContact C-N 3.34Å; L336-L338 PolarHBondContact O-N 3.43Å; L336-A339 WeakPolarHBondContact O-CB 3.1Å; L336-A339 PolarHBondContact O-N 2.81Å; L336-A339 VanDerWaalsContact O-N 3.17Å; L336-I340 HydrophobicContact CD1-CD1 4.2Å; L336-I340 HydrophobicContact CD1-CG1 4.45Å; L336-I340 HydrophobicContact CG-CD1 3.95Å; L336-I340 VanDerWaalsContact O-CG1 3.29Å; L336-I340 WeakPolarHBondContact O-CG1 3.11Å; L336-I340 PolarHBondContact O-N 2.79Å; L336-Y391 HydrophobicContact CB-CD2 4.02Å; L336-Y391 HydrophobicContact CB-CE2 4.04Å; L336-Y391 HydrophobicContact CD1-CD2 3.98Å; L336-Y391 HydrophobicContact CD1-CE2 4.02Å
337	S	83.7	Confident	80	Confident	6 Å²	6	40.4 Å²	40.4	4%	0.042	20%	0.203	C	C	.	.	H	α-helix	trans	-59.9	-45.9	177.5	-62.4	0	0	0	0	111.4	L291 S294 I333 I340 L341	L291-S337 WeakPolarHBondContact CD2-OG 3.34Å; L291-S337 WeakPolarHBondContact O-CB 3.42Å; S294-S337 VanDerWaalsContact OG-CB 3.22Å; S294-S337 WeakPolarHBondContact OG-CB 3.26Å; S294-S337 PolarHBondContact OG-OG 2.93Å; I333-S337 WeakPolarHBondContact O-CB 3.3Å; I333-S337 PolarHBondContact O-N 3.37Å; I333-S337 PolarHBondContact O-OG 3.39Å; S337-I340 PolarHBondContact O-N 3.19Å; S337-L341 VanDerWaalsContact O-CG 3.32Å; S337-L341 WeakPolarHBondContact O-CG 3.38Å; S337-L341 PolarHBondContact O-N 3.26Å
338	L	90.2	Very high	81.7	Confident	6 Å²	6	40 Å²	40	3%	0.031	20%	0.204	C	C	.	.	H	α-helix	trans	-63.8	-41.5	174.7	-176	57.7	0	0	0	112.1	P334 L336 I340 L341 V342 I390 L431 L432 A435	P334-L338 WeakPolarHBondContact O-CB 3.39Å; P334-L338 PolarHBondContact O-N 2.88Å; P334-L338 VanDerWaalsContact O-N 3.08Å; L336-L338 VanDerWaalsContact C-N 3.34Å; L336-L338 PolarHBondContact O-N 3.43Å; L338-I340 VanDerWaalsContact C-N 3.32Å; L338-I340 PolarHBondContact O-N 3.4Å; L338-L341 PolarHBondContact O-N 3.43Å; L338-V342 HydrophobicContact CD1-CG2 4.03Å; L338-V342 HydrophobicContact CG-CG2 4.33Å; L338-V342 WeakPolarHBondContact O-CB 3.42Å; L338-V342 VanDerWaalsContact O-CG2 3.25Å; L338-V342 WeakPolarHBondContact O-CG2 3.24Å; L338-V342 PolarHBondContact O-N 2.8Å; L338-I390 HydrophobicContact CB-CG2 4.35Å; L338-I390 HydrophobicContact CD2-CG2 3.88Å; L338-I390 HydrophobicContact CG-CG2 3.88Å; L338-L431 HydrophobicContact CD1-CB 3.68Å; L338-L431 HydrophobicContact CD1-CD1 4.22Å; L338-L432 HydrophobicContact CD2-CD2 4.19Å; L338-A435 HydrophobicContact CD2-CB 3.4Å; L338-A435 VanDerWaalsContact CD2-CB 3.4Å
339	A	90.7	Very high	83.4	Confident	4 Å²	4	35 Å²	35	3%	0.033	18%	0.177	C	C	.	.	H	α-helix	trans	-60.5	-41.7	176.2	0	0	0	0	0	111.8	S335 L336 V342 F343 V387	S335-A339 WeakPolarHBondContact O-CB 3.33Å; S335-A339 PolarHBondContact O-N 3.38Å; L336-A339 WeakPolarHBondContact O-CB 3.1Å; L336-A339 PolarHBondContact O-N 2.81Å; L336-A339 VanDerWaalsContact O-N 3.17Å; A339-V342 PolarHBondContact O-N 3.07Å; A339-F343 WeakPolarHBondContact O-CB 3.31Å; A339-F343 PolarHBondContact O-N 3.33Å; A339-V387 HydrophobicContact CB-CG1 3.9Å; A339-V387 WeakPolarHBondContact O-CG1 3.18Å
340	I	85.5	Confident	84.8	Confident	59 Å²	59	32 Å²	32	30%	0.303	16%	0.161	S	C	.	.	H	α-helix	trans	-65.4	-47	175.7	-68	166.8	0	0	0	110.9	L291 L336 S337 L338 V342 F343 F344	L291-I340 HydrophobicContact CD1-CB 4.41Å; L291-I340 HydrophobicContact CD1-CG2 3.85Å; L336-I340 HydrophobicContact CD1-CD1 4.2Å; L336-I340 HydrophobicContact CD1-CG1 4.45Å; L336-I340 HydrophobicContact CG-CD1 3.95Å; L336-I340 VanDerWaalsContact O-CG1 3.29Å; L336-I340 WeakPolarHBondContact O-CG1 3.11Å; L336-I340 PolarHBondContact O-N 2.79Å; S337-I340 PolarHBondContact O-N 3.19Å; L338-I340 VanDerWaalsContact C-N 3.32Å; L338-I340 PolarHBondContact O-N 3.4Å; I340-V342 VanDerWaalsContact C-N 3.31Å; I340-V342 PolarHBondContact O-N 3.17Å; I340-F343 WeakPolarHBondContact O-CB 3.37Å; I340-F343 PolarHBondContact O-N 3.31Å; I340-F344 HydrophobicContact CG2-CD2 3.63Å; I340-F344 HydrophobicContact CG2-CE2 3.51Å; I340-F344 VanDerWaalsContact O-CD2 3.27Å; I340-F344 WeakPolarHBondContact O-CD2 3.45Å; I340-F344 PolarHBondContact O-N 2.88Å
341	L	90.8	Very high	86	Confident	3 Å²	3	34.3 Å²	34.3	2%	0.016	18%	0.177	C	C	.	.	H	α-helix	trans	-59.3	-42.9	177.2	-73.6	170	0	0	0	111.8	I288 L291 I292 S337 L338 F344 T345 W424 I428 L431	I288-L341 HydrophobicContact CG2-CD2 4.27Å; L291-L341 HydrophobicContact CB-CD1 3.95Å; L291-L341 HydrophobicContact CB-CD2 4.11Å; L291-L341 HydrophobicContact CB-CG 3.95Å; L291-L341 HydrophobicContact CD1-CD2 4.08Å; L291-L341 HydrophobicContact CD1-CG 4.15Å; I292-L341 HydrophobicContact CG1-CD1 3.91Å; S337-L341 VanDerWaalsContact O-CG 3.32Å; S337-L341 WeakPolarHBondContact O-CG 3.38Å; S337-L341 PolarHBondContact O-N 3.26Å; L338-L341 PolarHBondContact O-N 3.43Å; L341-F344 PolarHBondContact O-N 3.48Å; L341-T345 WeakPolarHBondContact O-CB 3.5Å; L341-T345 PolarHBondContact O-N 3.46Å; L341-T345 PolarHBondContact O-OG1 3.38Å; L341-W424 HydrophobicContact CD2-CH2 3.77Å; L341-W424 HydrophobicContact CD2-CZ2 4.37Å; L341-I428 HydrophobicContact CB-CD1 3.89Å; L341-L431 HydrophobicContact CD1-CD1 4Å
342	V	93.5	Very high	87.1	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-68.4	-38.4	177.6	169.5	0	0	0	0	111.8	L338 A339 I340 T345 S346 L383 V387 I390 I428 L432	L338-V342 HydrophobicContact CD1-CG2 4.03Å; L338-V342 HydrophobicContact CG-CG2 4.33Å; L338-V342 WeakPolarHBondContact O-CB 3.42Å; L338-V342 VanDerWaalsContact O-CG2 3.25Å; L338-V342 WeakPolarHBondContact O-CG2 3.24Å; L338-V342 PolarHBondContact O-N 2.8Å; A339-V342 PolarHBondContact O-N 3.07Å; I340-V342 VanDerWaalsContact C-N 3.31Å; I340-V342 PolarHBondContact O-N 3.17Å; V342-T345 PolarHBondContact O-N 3.26Å; V342-S346 WeakPolarHBondContact O-CB 3.35Å; V342-S346 PolarHBondContact O-N 3.13Å; V342-L383 HydrophobicContact CG1-CD1 3.33Å; V342-L383 HydrophobicContact CG1-CD2 4.18Å; V342-L383 HydrophobicContact CG1-CG 3.47Å; V342-L383 VanDerWaalsContact CG1-CG 3.47Å; V342-V387 HydrophobicContact CG1-CG2 4.15Å; V342-I390 HydrophobicContact CB-CD1 4.1Å; V342-I390 HydrophobicContact CG1-CD1 3.7Å; V342-I390 HydrophobicContact CG2-CD1 4.04Å; V342-I428 HydrophobicContact CG2-CG2 4.03Å; V342-L432 HydrophobicContact CG2-CD2 4.34Å
343	F	92.7	Very high	87.8	Confident	78 Å²	78	30.1 Å²	30.1	34%	0.342	15%	0.154	S	C	.	.	H	α-helix	trans	-58.9	-51.1	172.9	171.1	-92.5	0	0	0	111.3	A339 I340 T345 S346 M347 L384 V387	A339-F343 WeakPolarHBondContact O-CB 3.31Å; A339-F343 PolarHBondContact O-N 3.33Å; I340-F343 WeakPolarHBondContact O-CB 3.37Å; I340-F343 PolarHBondContact O-N 3.31Å; F343-T345 PolarHBondContact O-N 3.04Å; F343-S346 WeakPolarHBondContact O-CB 3.38Å; F343-S346 PolarHBondContact O-N 3.12Å; F343-M347 HydrophobicContact CD1-CG 4.47Å; F343-M347 HydrophobicContact CE1-CG 4.02Å; F343-M347 HydrophobicContact CE2-CG 4.29Å; F343-M347 HydrophobicContact CZ-CG 3.91Å; F343-M347 HydrophobicContact CZ-SD 4.46Å; F343-M347 WeakPolarHBondContact O-CG 3.45Å; F343-M347 PolarHBondContact O-N 2.94Å; F343-L384 HydrophobicContact CD2-CD1 3.44Å; F343-L384 VanDerWaalsContact CD2-CD1 3.44Å; F343-L384 HydrophobicContact CE2-CD1 3.71Å; F343-L384 HydrophobicContact CG-CD1 4.44Å; F343-V387 HydrophobicContact CB-CG1 4.26Å; F343-V387 HydrophobicContact CB-CG2 3.92Å
344	F	88.8	Confident	88.3	Confident	99 Å²	99	30.7 Å²	30.7	43%	0.434	16%	0.157	S	C	.	.	H	α-helix	trans	-65	-39.4	177.7	-78.5	-63.6	0	0	0	112.2	I340 L341 S346 M347 I348	I340-F344 HydrophobicContact CG2-CD2 3.63Å; I340-F344 HydrophobicContact CG2-CE2 3.51Å; I340-F344 VanDerWaalsContact O-CD2 3.27Å; I340-F344 WeakPolarHBondContact O-CD2 3.45Å; I340-F344 PolarHBondContact O-N 2.88Å; L341-F344 PolarHBondContact O-N 3.48Å; F344-S346 VanDerWaalsContact C-N 3.34Å; F344-S346 PolarHBondContact O-N 2.64Å; F344-M347 PolarHBondContact O-N 3.2Å; F344-I348 WeakPolarHBondContact O-CB 3.14Å; F344-I348 VanDerWaalsContact O-CG1 3.24Å; F344-I348 WeakPolarHBondContact O-CG1 3.23Å; F344-I348 PolarHBondContact O-N 2.81Å
345	T	93	Very high	88.5	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-57	-50.4	173.9	-58.1	0	0	0	0	110.2	L341 V342 F343 M347 I348 F349 L383 I405 W424 L425	L341-T345 WeakPolarHBondContact O-CB 3.5Å; L341-T345 PolarHBondContact O-N 3.46Å; L341-T345 PolarHBondContact O-OG1 3.38Å; V342-T345 PolarHBondContact O-N 3.26Å; F343-T345 PolarHBondContact O-N 3.04Å; T345-M347 PolarHBondContact O-N 3.45Å; T345-I348 PolarHBondContact O-N 3.24Å; T345-F349 HydrophobicContact CG2-CD2 3.86Å; T345-F349 HydrophobicContact CG2-CE2 4.03Å; T345-F349 VanDerWaalsContact O-CD2 3.29Å; T345-F349 WeakPolarHBondContact O-CD2 3.35Å; T345-F349 PolarHBondContact O-N 2.9Å; T345-L383 HydrophobicContact CG2-CD2 4.13Å; T345-I405 HydrophobicContact CG2-CD1 3.95Å; T345-W424 WeakPolarHBondContact OG1-CZ2 3.28Å; T345-W424 PolarHBondContact OG1-NE1 3.17Å; T345-L425 HydrophobicContact CG2-CD2 4.13Å
346	S	93.6	Very high	88.6	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-56.7	-49.5	176.6	172	0	0	0	0	111.7	V342 F343 F344 I348 F349 F350 C380 L384	V342-S346 WeakPolarHBondContact O-CB 3.35Å; V342-S346 PolarHBondContact O-N 3.13Å; F343-S346 WeakPolarHBondContact O-CB 3.38Å; F343-S346 PolarHBondContact O-N 3.12Å; F344-S346 VanDerWaalsContact C-N 3.34Å; F344-S346 PolarHBondContact O-N 2.64Å; S346-I348 PolarHBondContact O-N 2.75Å; S346-F349 PolarHBondContact O-N 2.67Å; S346-F350 WeakPolarHBondContact O-CB 3.29Å; S346-F350 PolarHBondContact O-N 2.85Å; S346-C380 PolarHBondContact OG-O 3.32Å; S346-L384 WeakPolarHBondContact OG-CB 3.33Å
347	M	88.7	Confident	88.6	Confident	53 Å²	53	28.6 Å²	28.6	26%	0.261	15%	0.147	S	C	.	.	H	α-helix	trans	-60.6	-44.6	179.6	-71.1	-68	102	0	0	113.1	F343 F344 T345 F350 V351 L384	F343-M347 HydrophobicContact CD1-CG 4.47Å; F343-M347 HydrophobicContact CE1-CG 4.02Å; F343-M347 HydrophobicContact CE2-CG 4.29Å; F343-M347 HydrophobicContact CZ-CG 3.91Å; F343-M347 HydrophobicContact CZ-SD 4.46Å; F343-M347 WeakPolarHBondContact O-CG 3.45Å; F343-M347 PolarHBondContact O-N 2.94Å; F344-M347 PolarHBondContact O-N 3.2Å; T345-M347 PolarHBondContact O-N 3.45Å; M347-F350 PolarHBondContact O-N 3.49Å; M347-V351 WeakPolarHBondContact O-CG2 3.22Å; M347-V351 PolarHBondContact O-N 3.16Å; M347-V351 VanDerWaalsContact O-N 3.08Å; M347-L384 HydrophobicContact CE-CD1 3.67Å; M347-L384 HydrophobicContact CE-CD2 3.36Å; M347-L384 HydrophobicContact CE-CG 4.12Å
348	I	88.1	Confident	88.5	Confident	81 Å²	81	33.2 Å²	33.2	42%	0.415	16%	0.164	S	C	.	.	H	α-helix	trans	-62.1	-50.6	-179.9	-70.2	165.4	0	0	0	110.4	F344 T345 S346 F350 V351 N352	F344-I348 WeakPolarHBondContact O-CB 3.14Å; F344-I348 VanDerWaalsContact O-CG1 3.24Å; F344-I348 WeakPolarHBondContact O-CG1 3.23Å; F344-I348 PolarHBondContact O-N 2.81Å; T345-I348 PolarHBondContact O-N 3.24Å; S346-I348 PolarHBondContact O-N 2.75Å; I348-F350 VanDerWaalsContact C-N 3.28Å; I348-F350 PolarHBondContact O-N 3.14Å; I348-V351 PolarHBondContact O-N 2.87Å; I348-N352 PolarHBondContact O-N 3.08Å
349	F	92.6	Very high	88.1	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-68.2	-31.5	178.7	-78.9	-87.2	0	0	0	111.6	T345 S346 V351 N352 N353 H376 I408 T412 L421 L425	T345-F349 HydrophobicContact CG2-CD2 3.86Å; T345-F349 HydrophobicContact CG2-CE2 4.03Å; T345-F349 VanDerWaalsContact O-CD2 3.29Å; T345-F349 WeakPolarHBondContact O-CD2 3.35Å; T345-F349 PolarHBondContact O-N 2.9Å; S346-F349 PolarHBondContact O-N 2.67Å; F349-V351 VanDerWaalsContact C-N 3.32Å; F349-V351 PolarHBondContact O-N 2.97Å; F349-N352 PolarHBondContact O-N 3.29Å; F349-N352 VanDerWaalsContact O-N 3.11Å; F349-N353 PolarHBondContact O-N 3.42Å; F349-H376 AromaticContact CD1-NE2 3.68Å; F349-H376 PolarHBondContact O-CE1 3.08Å; F349-I408 HydrophobicContact CB-CG2 4.14Å; F349-I408 HydrophobicContact CD1-CG2 3.32Å; F349-I408 HydrophobicContact CD2-CG2 4.19Å; F349-I408 HydrophobicContact CE1-CG2 3.71Å; F349-I408 HydrophobicContact CG-CG2 3.61Å; F349-I408 HydrophobicContact CZ-CG2 4.29Å; F349-T412 HydrophobicContact CE1-CG2 4.14Å; F349-T412 VanDerWaalsContact CE1-OG1 3.27Å; F349-T412 WeakPolarHBondContact CE1-OG1 3.49Å; F349-L421 HydrophobicContact CE1-CD2 4.34Å; F349-L421 HydrophobicContact CE2-CD2 4.43Å; F349-L421 HydrophobicContact CZ-CB 4.15Å; F349-L421 HydrophobicContact CZ-CD2 3.85Å; F349-L421 HydrophobicContact CZ-CG 4.48Å; F349-L425 HydrophobicContact CD2-CD2 4.22Å; F349-L425 HydrophobicContact CE1-CD1 3.86Å; F349-L425 HydrophobicContact CE1-CD2 4.37Å; F349-L425 HydrophobicContact CE1-CG 4.32Å; F349-L425 HydrophobicContact CE2-CD1 4.37Å; F349-L425 HydrophobicContact CE2-CD2 3.57Å; F349-L425 HydrophobicContact CE2-CG 3.95Å; F349-L425 HydrophobicContact CZ-CD1 3.58Å; F349-L425 HydrophobicContact CZ-CD2 3.65Å; F349-L425 HydrophobicContact CZ-CG 3.56Å
350	F	89.6	Confident	87.7	Confident	15 Å²	15	34.8 Å²	34.8	7%	0.066	17%	0.172	C	C	.	.	H	α-helix	trans	-63.2	-36.6	175.3	-163.3	-100.2	0	0	0	112.9	S346 M347 I348 N353 T377 C380 L381 I461 N465	S346-F350 WeakPolarHBondContact O-CB 3.29Å; S346-F350 PolarHBondContact O-N 2.85Å; M347-F350 PolarHBondContact O-N 3.49Å; I348-F350 VanDerWaalsContact C-N 3.28Å; I348-F350 PolarHBondContact O-N 3.14Å; F350-N353 VanDerWaalsContact O-CB 3.26Å; F350-N353 WeakPolarHBondContact O-CB 3.35Å; F350-N353 VanDerWaalsContact O-CG 3.28Å; F350-N353 PolarHBondContact O-N 3.18Å; F350-N353 PolarHBondContact O-ND2 2.87Å; F350-T377 HydrophobicContact CD2-CG2 4.46Å; F350-T377 HydrophobicContact CE2-CG2 3.7Å; F350-T377 HydrophobicContact CZ-CG2 4.44Å; F350-C380 HydrophobicContact CB-CB 4.26Å; F350-C380 HydrophobicContact CD2-CB 3.77Å; F350-L381 HydrophobicContact CE2-CD1 4.47Å; F350-L381 HydrophobicContact CE2-CD2 4.11Å; F350-L381 HydrophobicContact CE2-CG 3.97Å; F350-I461 HydrophobicContact CD1-CG2 4.37Å; F350-I461 HydrophobicContact CE1-CG2 3.57Å; F350-I461 HydrophobicContact CE2-CG2 3.88Å; F350-I461 HydrophobicContact CZ-CG2 3.29Å; F350-N465 HydrophobicContact CE1-CB 3.41Å; F350-N465 VanDerWaalsContact CE1-CB 3.41Å; F350-N465 VanDerWaalsContact CE1-CG 3.5Å; F350-N465 HydrophobicContact CZ-CB 3.42Å; F350-N465 VanDerWaalsContact CZ-CB 3.42Å; F350-N465 WeakPolarHBondContact CZ-ND2 3.29Å
351	V	86.1	Confident	87.3	Confident	76 Å²	76	32.9 Å²	32.9	46%	0.461	16%	0.163	S	C	.	.	H	α-helix	trans	-68.3	-37.3	172.4	173.4	0	0	0	0	111.3	M347 I348 F349 N353 L354 F468	M347-V351 WeakPolarHBondContact O-CG2 3.22Å; M347-V351 PolarHBondContact O-N 3.16Å; M347-V351 VanDerWaalsContact O-N 3.08Å; I348-V351 PolarHBondContact O-N 2.87Å; F349-V351 VanDerWaalsContact C-N 3.32Å; F349-V351 PolarHBondContact O-N 2.97Å; V351-N353 PolarHBondContact O-N 3.07Å; V351-N353 VanDerWaalsContact O-N 3.08Å; V351-L354 WeakPolarHBondContact O-CB 3.47Å; V351-L354 PolarHBondContact O-N 3.19Å; V351-L354 VanDerWaalsContact O-N 3.16Å; V351-F468 HydrophobicContact CG1-CE1 3.99Å; V351-F468 HydrophobicContact CG1-CZ 4.01Å
352	N	87.3	Confident	86.8	Confident	37 Å²	37	39.7 Å²	39.7	20%	0.198	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-4.3	177.5	-65.4	-19.7	0	0	0	114.3	I348 F349 L354 T355 I356 Y416	I348-N352 PolarHBondContact O-N 3.08Å; F349-N352 PolarHBondContact O-N 3.29Å; F349-N352 VanDerWaalsContact O-N 3.11Å; N352-L354 PolarHBondContact O-N 3.24Å; N352-T355 WeakPolarHBondContact O-CB 3.14Å; N352-T355 PolarHBondContact O-N 3.14Å; N352-I356 PolarHBondContact O-N 3.24Å; N352-Y416 HydrophobicContact CB-CE1 4.23Å; N352-Y416 HydrophobicContact CB-CE2 3.87Å; N352-Y416 WeakPolarHBondContact CB-OH 3.33Å
353	N	87.2	Confident	86.1	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-52.5	-33.7	164.8	-78.5	-32.6	0	0	0	112.2	F349 F350 V351 T355 I356 V357 L373 H376 T377 N465	F349-N353 PolarHBondContact O-N 3.42Å; F350-N353 VanDerWaalsContact O-CB 3.26Å; F350-N353 WeakPolarHBondContact O-CB 3.35Å; F350-N353 VanDerWaalsContact O-CG 3.28Å; F350-N353 PolarHBondContact O-N 3.18Å; F350-N353 PolarHBondContact O-ND2 2.87Å; V351-N353 PolarHBondContact O-N 3.07Å; V351-N353 VanDerWaalsContact O-N 3.08Å; N353-T355 VanDerWaalsContact C-N 3.27Å; N353-T355 PolarHBondContact O-N 2.79Å; N353-I356 PolarHBondContact O-N 3.14Å; N353-V357 WeakPolarHBondContact O-CG2 3.34Å; N353-V357 PolarHBondContact O-N 3.37Å; N353-L373 HydrophobicContact CB-CD1 3.77Å; N353-L373 WeakPolarHBondContact O-CD1 3.42Å; N353-H376 PolarHBondContact OD1-ND1 2.88Å; N353-T377 VanDerWaalsContact CG-OG1 3.31Å; N353-T377 PolarHBondContact ND2-OG1 2.72Å; N353-T377 VanDerWaalsContact ND2-OG1 3.12Å; N353-T377 PolarHBondContact OD1-OG1 2.84Å; N353-T377 VanDerWaalsContact OD1-OG1 3.13Å; N353-N465 PolarHBondContact ND2-ND2 3.39Å
354	L	84	Confident	85.3	Confident	34 Å²	34	42.3 Å²	42.3	18%	0.178	22%	0.223	C	C	.	.	H	α-helix	trans	-59.3	-38.5	175.8	-179.1	70.1	0	0	0	112	V351 N352 V357 Y358 F468 T472	V351-L354 WeakPolarHBondContact O-CB 3.47Å; V351-L354 PolarHBondContact O-N 3.19Å; V351-L354 VanDerWaalsContact O-N 3.16Å; N352-L354 PolarHBondContact O-N 3.24Å; L354-V357 PolarHBondContact O-N 3.16Å; L354-Y358 WeakPolarHBondContact O-CB 3.32Å; L354-Y358 PolarHBondContact O-N 3.3Å; L354-F468 HydrophobicContact CB-CE1 4.4Å; L354-F468 HydrophobicContact CD2-CE1 4.39Å; L354-T472 HydrophobicContact CD1-CG2 3.95Å; L354-T472 HydrophobicContact CD2-CG2 3.42Å; L354-T472 VanDerWaalsContact CD2-CG2 3.42Å; L354-T472 HydrophobicContact CG-CG2 4.31Å
355	T	85	Confident	85	Confident	48 Å²	48	41.4 Å²	41.4	29%	0.294	22%	0.223	S	C	.	.	H	α-helix	trans	-66.3	-39.4	178.5	-49.4	0	0	0	0	111.2	N352 N353 V357 Y358 D359 Y416	N352-T355 WeakPolarHBondContact O-CB 3.14Å; N352-T355 PolarHBondContact O-N 3.14Å; N353-T355 VanDerWaalsContact C-N 3.27Å; N353-T355 PolarHBondContact O-N 2.79Å; T355-V357 VanDerWaalsContact C-N 3.32Å; T355-V357 PolarHBondContact O-N 3.49Å; T355-Y358 WeakPolarHBondContact O-CB 3.49Å; T355-Y358 PolarHBondContact O-N 3.02Å; T355-D359 PolarHBondContact O-N 3.33Å; T355-Y416 HydrophobicContact CG2-CD1 3.6Å; T355-Y416 HydrophobicContact CG2-CE1 4.49Å; T355-Y416 HydrophobicContact CG2-CG 3.71Å
356	I	86.4	Confident	84.4	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-62.5	-42.8	173.9	-52.8	-178.1	0	0	0	110.5	N352 N353 Y358 D359 A360 Y369 L373 H376 T415 Y416	N352-I356 PolarHBondContact O-N 3.24Å; N353-I356 PolarHBondContact O-N 3.14Å; I356-Y358 VanDerWaalsContact C-N 3.32Å; I356-D359 PolarHBondContact O-N 3.09Å; I356-A360 VanDerWaalsContact O-CB 3.31Å; I356-A360 WeakPolarHBondContact O-CB 3.49Å; I356-A360 PolarHBondContact O-N 3.17Å; I356-Y369 HydrophobicContact CG2-CD1 4.21Å; I356-L373 HydrophobicContact CB-CD1 4Å; I356-L373 HydrophobicContact CD1-CD1 4.37Å; I356-L373 HydrophobicContact CG2-CB 3.92Å; I356-L373 HydrophobicContact CG2-CD1 4.2Å; I356-H376 HydrophobicContact CD1-CB 3.77Å; I356-T415 HydrophobicContact CB-CG2 4.47Å; I356-T415 HydrophobicContact CG1-CG2 4.07Å; I356-T415 HydrophobicContact CG2-CG2 4.09Å; I356-Y416 HydrophobicContact CD1-CE1 4.24Å; I356-Y416 HydrophobicContact CG1-CD1 4.24Å; I356-Y416 HydrophobicContact CG1-CE1 3.63Å
357	V	83.4	Confident	83.8	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.006	27%	0.265	C	S	.	.	H	α-helix	trans	-63.4	-41	175.7	175	0	0	0	0	110.8	N353 L354 T355 A360 L361 L373 I469 L473 M483	N353-V357 WeakPolarHBondContact O-CG2 3.34Å; N353-V357 PolarHBondContact O-N 3.37Å; L354-V357 PolarHBondContact O-N 3.16Å; T355-V357 VanDerWaalsContact C-N 3.32Å; T355-V357 PolarHBondContact O-N 3.49Å; V357-A360 WeakPolarHBondContact O-CB 3.45Å; V357-A360 PolarHBondContact O-N 3.49Å; V357-L361 WeakPolarHBondContact O-CG 3.31Å; V357-L361 PolarHBondContact O-N 3.4Å; V357-L373 HydrophobicContact CG2-CD1 4.06Å; V357-L373 HydrophobicContact CG2-CD2 3.52Å; V357-L373 HydrophobicContact CG2-CG 4.43Å; V357-I469 HydrophobicContact CG1-CG2 4.15Å; V357-I469 HydrophobicContact CG2-CD1 4.24Å; V357-I469 HydrophobicContact CG2-CG2 4.24Å; V357-L473 HydrophobicContact CG1-CD1 4.21Å; V357-M483 HydrophobicContact CG1-CE 3.72Å
358	Y	80.7	Confident	83.7	Confident	103 Å²	103	50.7 Å²	50.7	40%	0.404	27%	0.273	S	S	.	.	H	α-helix	trans	-62.3	-49.3	177.2	-177.1	-92.6	0	0	0	111.5	L354 T355 I356 A360 L361 Y362 I478	L354-Y358 WeakPolarHBondContact O-CB 3.32Å; L354-Y358 PolarHBondContact O-N 3.3Å; T355-Y358 WeakPolarHBondContact O-CB 3.49Å; T355-Y358 PolarHBondContact O-N 3.02Å; I356-Y358 VanDerWaalsContact C-N 3.32Å; Y358-A360 PolarHBondContact O-N 2.92Å; Y358-L361 WeakPolarHBondContact O-CB 3.2Å; Y358-L361 PolarHBondContact O-N 3.29Å; Y358-L361 VanDerWaalsContact O-N 3.07Å; Y358-Y362 HydrophobicContact CD1-CD2 4.4Å; Y358-Y362 HydrophobicContact CD1-CE2 4.34Å; Y358-Y362 HydrophobicContact CD2-CE2 4.11Å; Y358-Y362 HydrophobicContact CE1-CD2 4.1Å; Y358-Y362 AromaticContact CE1-CE2 3.85Å; Y358-Y362 HydrophobicContact CE1-CE2 3.85Å; Y358-Y362 AromaticContact CE2-CE2 3.6Å; Y358-Y362 HydrophobicContact CE2-CE2 3.6Å; Y358-Y362 HydrophobicContact CG-CE2 4.46Å; Y358-Y362 AromaticContact CZ-CE2 3.45Å; Y358-Y362 VanDerWaalsContact CZ-CE2 3.45Å; Y358-Y362 VanDerWaalsContact O-CD2 3.31Å; Y358-Y362 WeakPolarHBondContact O-CD2 3.35Å; Y358-I478 HydrophobicContact CD2-CD1 4.12Å; Y358-I478 HydrophobicContact CE2-CD1 3.9Å
359	D	83	Confident	83.7	Confident	42 Å²	42	48.9 Å²	48.9	23%	0.225	26%	0.261	C	S	.	.	H	α-helix	trans	-60.8	-37.7	176.2	-64.1	-19.9	0	0	0	111.2	T355 I356 L361 Y362 D363 Y369	T355-D359 PolarHBondContact O-N 3.33Å; I356-D359 PolarHBondContact O-N 3.09Å; D359-L361 PolarHBondContact O-N 3.47Å; D359-Y362 PolarHBondContact O-N 3.45Å; D359-D363 PolarHBondContact O-N 2.85Å; D359-D363 VanDerWaalsContact O-N 3.15Å; D359-Y369 HydrophobicContact CB-CD1 4.09Å; D359-Y369 HydrophobicContact CB-CE1 3.51Å
360	A	82.1	Confident	83.2	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.008	27%	0.268	C	S	.	.	H	α-helix	trans	-61.2	-28.8	176.3	0	0	0	0	0	113.2	I356 V357 Y358 Y362 H366 Y369 Y370	I356-A360 VanDerWaalsContact O-CB 3.31Å; I356-A360 WeakPolarHBondContact O-CB 3.49Å; I356-A360 PolarHBondContact O-N 3.17Å; V357-A360 WeakPolarHBondContact O-CB 3.45Å; V357-A360 PolarHBondContact O-N 3.49Å; Y358-A360 PolarHBondContact O-N 2.92Å; A360-Y362 VanDerWaalsContact C-N 3.31Å; A360-H366 PolarHBondContact O-CE1 2.95Å; A360-H366 PolarHBondContact O-ND1 3.31Å; A360-Y369 HydrophobicContact CB-CD1 4.09Å; A360-Y369 HydrophobicContact CB-CG 3.84Å; A360-Y370 HydrophobicContact CB-CE1 4.24Å
361	L	77.6	Confident	83.1	Confident	20 Å²	20	53.3 Å²	53.3	11%	0.105	28%	0.283	C	S	.	.	H	α-helix	trans	-72.2	-26.1	180	-70.2	161.5	0	0	0	112.5	V357 Y358 D359 L473 I478 M483	V357-L361 WeakPolarHBondContact O-CG 3.31Å; V357-L361 PolarHBondContact O-N 3.4Å; Y358-L361 WeakPolarHBondContact O-CB 3.2Å; Y358-L361 PolarHBondContact O-N 3.29Å; Y358-L361 VanDerWaalsContact O-N 3.07Å; D359-L361 PolarHBondContact O-N 3.47Å; L361-L473 HydrophobicContact CD1-CD2 3.75Å; L361-I478 HydrophobicContact CD1-CG2 3.7Å; L361-M483 HydrophobicContact CD2-CG 3.29Å; L361-M483 HydrophobicContact CD2-SD 3.96Å; L361-M483 HydrophobicContact CG-CG 4.46Å
362	Y	78.6	Confident	83.2	Confident	146 Å²	146	50.8 Å²	50.8	57%	0.573	27%	0.266	S	S	*	.	H	α-helix	trans	-105.4	-12.1	-175.4	-67	-82.2	0	0	0	113.7	Y358 D359 A360	Y358-Y362 HydrophobicContact CD1-CD2 4.4Å; Y358-Y362 HydrophobicContact CD1-CE2 4.34Å; Y358-Y362 HydrophobicContact CD2-CE2 4.11Å; Y358-Y362 HydrophobicContact CE1-CD2 4.1Å; Y358-Y362 AromaticContact CE1-CE2 3.85Å; Y358-Y362 HydrophobicContact CE1-CE2 3.85Å; Y358-Y362 AromaticContact CE2-CE2 3.6Å; Y358-Y362 HydrophobicContact CE2-CE2 3.6Å; Y358-Y362 HydrophobicContact CG-CE2 4.46Å; Y358-Y362 AromaticContact CZ-CE2 3.45Å; Y358-Y362 VanDerWaalsContact CZ-CE2 3.45Å; Y358-Y362 VanDerWaalsContact O-CD2 3.31Å; Y358-Y362 WeakPolarHBondContact O-CD2 3.35Å; D359-Y362 PolarHBondContact O-N 3.45Å; A360-Y362 VanDerWaalsContact C-N 3.31Å
363	D	80	Confident	83.3	Confident	64 Å²	64	49.2 Å²	49.2	34%	0.342	26%	0.258	S	S	.	.	S	Bend	trans	-93.5	142.9	174.1	-171.5	36.1	0	0	0	112.2	D359 N365 H366 Y369	D359-D363 PolarHBondContact O-N 2.85Å; D359-D363 VanDerWaalsContact O-N 3.15Å; D363-N365 PolarHBondContact O-N 2.73Å; D363-N365 PolarHBondContact OD2-N 2.92Å; D363-H366 PolarHBondContact O-CE1 3.22Å; D363-H366 PolarHBondContact O-ND1 2.93Å; D363-H366 VanDerWaalsContact O-ND1 3.08Å; D363-Y369 HydrophobicContact CB-CD2 4.23Å; D363-Y369 HydrophobicContact CB-CE2 3.68Å; D363-Y369 WeakPolarHBondContact OD2-CE2 3.44Å
364	G	75.8	Confident	83.4	Confident	69 Å²	69	49.2 Å²	49.2	71%	0.711	26%	0.258	S	S	*	.	S	Bend	trans	-71.1	-15.8	-179.1	0	0	0	0	0	114	H366	G364-H366 PolarHBondContact O-N 2.84Å
365	N	82.7	Confident	83.7	Confident	80 Å²	80	49.9 Å²	49.9	43%	0.428	26%	0.261	S	S	.	.			trans	-103.5	63	-179.8	-169	2.5	0	0	0	112.3	D363 L367 T368	D363-N365 PolarHBondContact O-N 2.73Å; D363-N365 PolarHBondContact OD2-N 2.92Å; N365-L367 PolarHBondContact O-N 3.49Å; N365-L367 VanDerWaalsContact O-N 3.11Å; N365-T368 PolarHBondContact ND2-OG1 3.16Å; N365-T368 PolarHBondContact O-N 3.22Å; N365-T368 VanDerWaalsContact O-N 3.16Å; N365-T368 PolarHBondContact OD1-OG1 2.93Å
366	H	79.3	Confident	84.1	Confident	60 Å²	60	47.6 Å²	47.6	28%	0.278	25%	0.247	S	C	.	.	H	α-helix	trans	-52.8	-36.7	-178.4	-51.3	-64	0	0	0	113.3	A360 D363 G364 T368 Y369 Y370	A360-H366 PolarHBondContact O-CE1 2.95Å; A360-H366 PolarHBondContact O-ND1 3.31Å; D363-H366 PolarHBondContact O-CE1 3.22Å; D363-H366 PolarHBondContact O-ND1 2.93Å; D363-H366 VanDerWaalsContact O-ND1 3.08Å; G364-H366 PolarHBondContact O-N 2.84Å; H366-T368 PolarHBondContact O-N 3.31Å; H366-Y369 PolarHBondContact O-N 3.46Å; H366-Y370 HydrophobicContact CB-CD2 4.17Å; H366-Y370 HydrophobicContact CB-CE2 3.39Å; H366-Y370 WeakPolarHBondContact O-CD2 3.32Å; H366-Y370 WeakPolarHBondContact O-CE2 3.14Å; H366-Y370 VanDerWaalsContact O-CG 3.26Å; H366-Y370 PolarHBondContact O-N 3.5Å
367	L	82.4	Confident	84.4	Confident	116 Å²	116	47.6 Å²	47.6	61%	0.607	25%	0.247	S	C	*	.	H	α-helix	trans	-58.8	-44.2	-178.8	-178.9	64	0	0	0	112.4	N365 Y369 Y370 I371	N365-L367 PolarHBondContact O-N 3.49Å; N365-L367 VanDerWaalsContact O-N 3.11Å; L367-Y369 VanDerWaalsContact C-N 3.33Å; L367-Y369 PolarHBondContact O-N 2.79Å; L367-Y370 PolarHBondContact O-N 3.29Å; L367-I371 HydrophobicContact CD1-CD1 4.21Å; L367-I371 HydrophobicContact CD1-CG1 4.45Å; L367-I371 HydrophobicContact CG-CD1 4.05Å; L367-I371 WeakPolarHBondContact O-CG1 3.12Å; L367-I371 PolarHBondContact O-N 3.36Å
368	T	86.4	Confident	84.7	Confident	71 Å²	71	47.6 Å²	47.6	44%	0.436	25%	0.247	S	C	.	.	H	α-helix	trans	-61.5	-43.8	178.4	-69.2	0	0	0	0	110.9	N365 H366 Y370 I371 L372	N365-T368 PolarHBondContact ND2-OG1 3.16Å; N365-T368 PolarHBondContact O-N 3.22Å; N365-T368 VanDerWaalsContact O-N 3.16Å; N365-T368 PolarHBondContact OD1-OG1 2.93Å; H366-T368 PolarHBondContact O-N 3.31Å; T368-Y370 PolarHBondContact O-N 3.04Å; T368-I371 PolarHBondContact O-N 2.68Å; T368-L372 WeakPolarHBondContact O-CB 3.45Å; T368-L372 PolarHBondContact O-N 3.38Å
369	Y	86.5	Confident	85.3	Confident	44 Å²	44	42.7 Å²	42.7	17%	0.173	23%	0.228	C	C	.	.	H	α-helix	trans	-66.9	-36	177.9	-79.3	-96.7	0	0	0	112.8	I356 D359 A360 D363 H366 L367 L372 L373 T415	I356-Y369 HydrophobicContact CG2-CD1 4.21Å; D359-Y369 HydrophobicContact CB-CD1 4.09Å; D359-Y369 HydrophobicContact CB-CE1 3.51Å; A360-Y369 HydrophobicContact CB-CD1 4.09Å; A360-Y369 HydrophobicContact CB-CG 3.84Å; D363-Y369 HydrophobicContact CB-CD2 4.23Å; D363-Y369 HydrophobicContact CB-CE2 3.68Å; D363-Y369 WeakPolarHBondContact OD2-CE2 3.44Å; H366-Y369 PolarHBondContact O-N 3.46Å; L367-Y369 VanDerWaalsContact C-N 3.33Å; L367-Y369 PolarHBondContact O-N 2.79Å; Y369-L372 PolarHBondContact O-N 3.4Å; Y369-L373 WeakPolarHBondContact O-CB 3.47Å; Y369-L373 PolarHBondContact O-N 2.87Å; Y369-T415 HydrophobicContact CD1-CG2 4.35Å; Y369-T415 HydrophobicContact CE1-CG2 4.06Å
370	Y	83.3	Confident	85.9	Confident	36 Å²	36	40.7 Å²	40.7	14%	0.141	22%	0.217	C	C	.	.	H	α-helix	trans	-69	-37.7	176	-59.4	-42.7	0	0	0	112.9	A360 H366 L367 T368 L372 A374 M483 V487	A360-Y370 HydrophobicContact CB-CE1 4.24Å; H366-Y370 HydrophobicContact CB-CD2 4.17Å; H366-Y370 HydrophobicContact CB-CE2 3.39Å; H366-Y370 WeakPolarHBondContact O-CD2 3.32Å; H366-Y370 WeakPolarHBondContact O-CE2 3.14Å; H366-Y370 VanDerWaalsContact O-CG 3.26Å; H366-Y370 PolarHBondContact O-N 3.5Å; L367-Y370 PolarHBondContact O-N 3.29Å; T368-Y370 PolarHBondContact O-N 3.04Å; Y370-L372 VanDerWaalsContact C-N 3.35Å; Y370-A374 WeakPolarHBondContact O-CB 3.41Å; Y370-A374 PolarHBondContact O-N 3.37Å; Y370-M483 HydrophobicContact CE1-CE 4.3Å; Y370-M483 HydrophobicContact CE1-SD 4.08Å; Y370-M483 PolarHBondContact OH-SD 3.38Å; Y370-V487 HydrophobicContact CD1-CG1 3.69Å; Y370-V487 HydrophobicContact CD2-CG1 3.51Å; Y370-V487 HydrophobicContact CE1-CG1 3.45Å; Y370-V487 VanDerWaalsContact CE1-CG1 3.45Å; Y370-V487 HydrophobicContact CE2-CB 4.39Å; Y370-V487 HydrophobicContact CE2-CG1 3.23Å; Y370-V487 HydrophobicContact CE2-CG2 4.29Å; Y370-V487 HydrophobicContact CG-CG1 3.75Å
371	I	86.7	Confident	86.3	Confident	72 Å²	72	40.7 Å²	40.7	37%	0.369	22%	0.217	S	C	.	.	H	α-helix	trans	-64.3	-44.7	172.2	-66.7	168.3	0	0	0	109.6	L367 T368 L373 A374 I375 L494	L367-I371 HydrophobicContact CD1-CD1 4.21Å; L367-I371 HydrophobicContact CD1-CG1 4.45Å; L367-I371 HydrophobicContact CG-CD1 4.05Å; L367-I371 WeakPolarHBondContact O-CG1 3.12Å; L367-I371 PolarHBondContact O-N 3.36Å; T368-I371 PolarHBondContact O-N 2.68Å; I371-L373 PolarHBondContact O-N 2.83Å; I371-A374 PolarHBondContact O-N 2.85Å; I371-I375 HydrophobicContact CG2-CD1 3.91Å; I371-I375 WeakPolarHBondContact O-CG1 3.48Å; I371-I375 PolarHBondContact O-N 3.46Å; I371-L494 HydrophobicContact CG1-CD2 4.21Å
372	L	89.4	Confident	87	Confident	23 Å²	23	39.8 Å²	39.8	12%	0.12	21%	0.212	C	C	.	.	H	α-helix	trans	-63	-43.4	179	-164.5	63.8	0	0	0	112	T368 Y369 Y370 A374 I375 H376 A411 F414 T415	T368-L372 WeakPolarHBondContact O-CB 3.45Å; T368-L372 PolarHBondContact O-N 3.38Å; Y369-L372 PolarHBondContact O-N 3.4Å; Y370-L372 VanDerWaalsContact C-N 3.35Å; L372-A374 VanDerWaalsContact C-N 3.34Å; L372-A374 PolarHBondContact O-N 2.99Å; L372-I375 PolarHBondContact O-N 3.32Å; L372-H376 VanDerWaalsContact O-CB 3.26Å; L372-H376 WeakPolarHBondContact O-CB 3.4Å; L372-H376 PolarHBondContact O-N 2.86Å; L372-A411 HydrophobicContact CD1-CB 3.74Å; L372-A411 HydrophobicContact CD2-CB 4.47Å; L372-A411 HydrophobicContact CG-CB 3.86Å; L372-F414 HydrophobicContact CD2-CB 4Å; L372-T415 HydrophobicContact CD2-CG2 3.42Å; L372-T415 VanDerWaalsContact CD2-CG2 3.42Å
373	L	89.3	Confident	87.7	Confident	4 Å²	4	32.9 Å²	32.9	2%	0.021	19%	0.185	C	C	.	.	H	α-helix	trans	-59.3	-44.8	173.4	-179.3	68.2	0	0	0	110.6	N353 I356 V357 Y369 I371 I375 H376 T377 Y491	N353-L373 HydrophobicContact CB-CD1 3.77Å; N353-L373 WeakPolarHBondContact O-CD1 3.42Å; I356-L373 HydrophobicContact CB-CD1 4Å; I356-L373 HydrophobicContact CD1-CD1 4.37Å; I356-L373 HydrophobicContact CG2-CB 3.92Å; I356-L373 HydrophobicContact CG2-CD1 4.2Å; V357-L373 HydrophobicContact CG2-CD1 4.06Å; V357-L373 HydrophobicContact CG2-CD2 3.52Å; V357-L373 HydrophobicContact CG2-CG 4.43Å; Y369-L373 WeakPolarHBondContact O-CB 3.47Å; Y369-L373 PolarHBondContact O-N 2.87Å; I371-L373 PolarHBondContact O-N 2.83Å; L373-I375 PolarHBondContact O-N 3.09Å; L373-H376 PolarHBondContact O-N 3.43Å; L373-T377 WeakPolarHBondContact O-CB 3.31Å; L373-T377 PolarHBondContact O-N 3.02Å; L373-T377 PolarHBondContact O-OG1 3.3Å; L373-Y491 HydrophobicContact CB-CD2 4.3Å; L373-Y491 HydrophobicContact CB-CE2 4.28Å; L373-Y491 HydrophobicContact CD1-CE2 4.43Å; L373-Y491 HydrophobicContact CD2-CD2 3.76Å; L373-Y491 HydrophobicContact CD2-CE2 3.8Å; L373-Y491 HydrophobicContact CD2-CG 4.12Å; L373-Y491 HydrophobicContact CG-CD2 3.78Å; L373-Y491 HydrophobicContact CG-CE2 3.47Å; L373-Y491 VanDerWaalsContact CG-CE2 3.47Å
374	A	89	Confident	88.3	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-63.4	-42.7	177.8	0	0	0	0	0	112.6	Y370 I371 L372 S378 Y491 L494 T495 I498	Y370-A374 WeakPolarHBondContact O-CB 3.41Å; Y370-A374 PolarHBondContact O-N 3.37Å; I371-A374 PolarHBondContact O-N 2.85Å; L372-A374 VanDerWaalsContact C-N 3.34Å; L372-A374 PolarHBondContact O-N 2.99Å; A374-S378 WeakPolarHBondContact O-CB 3.35Å; A374-S378 PolarHBondContact O-N 3.48Å; A374-S378 PolarHBondContact O-OG 3.28Å; A374-Y491 HydrophobicContact CB-CD2 3.9Å; A374-Y491 HydrophobicContact CB-CE2 4.33Å; A374-L494 HydrophobicContact CB-CB 4.08Å; A374-L494 HydrophobicContact CB-CD2 3.42Å; A374-L494 VanDerWaalsContact CB-CD2 3.42Å; A374-L494 HydrophobicContact CB-CG 3.86Å; A374-T495 HydrophobicContact CB-CG2 3.91Å; A374-I498 HydrophobicContact CB-CD1 3.87Å
375	I	90.9	Very high	89.1	Confident	48 Å²	48	28 Å²	28	25%	0.246	14%	0.142	C	C	.	.	H	α-helix	trans	-62.4	-47.7	174.4	-67.9	168.4	0	0	0	110.3	I371 L372 L373 S378 A379 L407 I498	I371-I375 HydrophobicContact CG2-CD1 3.91Å; I371-I375 WeakPolarHBondContact O-CG1 3.48Å; I371-I375 PolarHBondContact O-N 3.46Å; L372-I375 PolarHBondContact O-N 3.32Å; L373-I375 PolarHBondContact O-N 3.09Å; I375-S378 PolarHBondContact O-N 3.43Å; I375-A379 WeakPolarHBondContact O-CB 3.48Å; I375-A379 PolarHBondContact O-N 2.94Å; I375-L407 HydrophobicContact CG2-CB 4.12Å; I375-L407 HydrophobicContact CG2-CD1 4.4Å; I375-L407 HydrophobicContact CG2-CD2 3.95Å; I375-L407 HydrophobicContact CG2-CG 4.38Å; I375-I498 HydrophobicContact CG1-CD1 3.92Å
376	H	92.7	Very high	89.5	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-63	-47.6	-177.8	-174.9	-105.9	0	0	0	112	F349 N353 I356 L372 L373 S378 A379 C380 A411 Y416	F349-H376 AromaticContact CD1-NE2 3.68Å; F349-H376 PolarHBondContact O-CE1 3.08Å; N353-H376 PolarHBondContact OD1-ND1 2.88Å; I356-H376 HydrophobicContact CD1-CB 3.77Å; L372-H376 VanDerWaalsContact O-CB 3.26Å; L372-H376 WeakPolarHBondContact O-CB 3.4Å; L372-H376 PolarHBondContact O-N 2.86Å; L373-H376 PolarHBondContact O-N 3.43Å; H376-S378 PolarHBondContact O-N 3.29Å; H376-A379 PolarHBondContact O-N 3.33Å; H376-C380 PolarHBondContact O-N 3.47Å; H376-C380 PolarHBondContact O-SG 3.24Å; H376-A411 HydrophobicContact CB-CB 3.81Å; H376-Y416 PolarHBondContact CE1-OH 2.86Å; H376-Y416 PolarHBondContact NE2-OH 2.67Å
377	T	92	Very high	90.1	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-62.5	-43.2	175.3	-61.3	0	0	0	0	111.6	F350 N353 L373 A379 C380 L381 L462 Y491 T495	F350-T377 HydrophobicContact CD2-CG2 4.46Å; F350-T377 HydrophobicContact CE2-CG2 3.7Å; F350-T377 HydrophobicContact CZ-CG2 4.44Å; N353-T377 VanDerWaalsContact CG-OG1 3.31Å; N353-T377 PolarHBondContact ND2-OG1 2.72Å; N353-T377 VanDerWaalsContact ND2-OG1 3.12Å; N353-T377 PolarHBondContact OD1-OG1 2.84Å; N353-T377 VanDerWaalsContact OD1-OG1 3.13Å; L373-T377 WeakPolarHBondContact O-CB 3.31Å; L373-T377 PolarHBondContact O-N 3.02Å; L373-T377 PolarHBondContact O-OG1 3.3Å; T377-A379 VanDerWaalsContact C-N 3.31Å; T377-A379 PolarHBondContact O-N 2.9Å; T377-C380 PolarHBondContact O-N 2.9Å; T377-L381 HydrophobicContact CG2-CD1 4.01Å; T377-L381 WeakPolarHBondContact O-CB 3.47Å; T377-L381 WeakPolarHBondContact O-CG 3.43Å; T377-L381 PolarHBondContact O-N 2.64Å; T377-L462 HydrophobicContact CG2-CD2 3.67Å; T377-Y491 WeakPolarHBondContact CB-OH 3.34Å; T377-Y491 HydrophobicContact CG2-CE2 4.38Å; T377-Y491 WeakPolarHBondContact CG2-OH 3.24Å; T377-Y491 PolarHBondContact OG1-OH 3.43Å; T377-T495 HydrophobicContact CG2-CG2 4.09Å
378	S	91.3	Very high	90.4	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-59.8	-43.8	176.9	-61.6	0	0	0	0	111.3	A374 I375 H376 L381 L382 T495	A374-S378 WeakPolarHBondContact O-CB 3.35Å; A374-S378 PolarHBondContact O-N 3.48Å; A374-S378 PolarHBondContact O-OG 3.28Å; I375-S378 PolarHBondContact O-N 3.43Å; H376-S378 PolarHBondContact O-N 3.29Å; S378-L381 PolarHBondContact O-N 2.96Å; S378-L382 WeakPolarHBondContact O-CB 3.29Å; S378-L382 VanDerWaalsContact O-CG 3.24Å; S378-L382 WeakPolarHBondContact O-CG 3.25Å; S378-L382 PolarHBondContact O-N 3.3Å; S378-T495 WeakPolarHBondContact OG-CA 3.41Å; S378-T495 PolarHBondContact OG-O 2.85Å
379	A	93.3	Very high	90.4	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-65.7	-43.6	176.9	0	0	0	0	0	111.9	I375 H376 T377 L381 L382 L383 S404 L407 I408	I375-A379 WeakPolarHBondContact O-CB 3.48Å; I375-A379 PolarHBondContact O-N 2.94Å; H376-A379 PolarHBondContact O-N 3.33Å; T377-A379 VanDerWaalsContact C-N 3.31Å; T377-A379 PolarHBondContact O-N 2.9Å; A379-L381 PolarHBondContact O-N 3.09Å; A379-L382 PolarHBondContact O-N 3.37Å; A379-L383 VanDerWaalsContact O-CB 3.25Å; A379-L383 WeakPolarHBondContact O-CB 3.44Å; A379-L383 PolarHBondContact O-N 3.31Å; A379-S404 VanDerWaalsContact O-CB 3.29Å; A379-S404 WeakPolarHBondContact O-CB 3.44Å; A379-S404 PolarHBondContact O-OG 3.27Å; A379-L407 HydrophobicContact CB-CB 3.66Å; A379-L407 HydrophobicContact CB-CD1 4.21Å; A379-I408 HydrophobicContact CB-CD1 4.32Å; A379-I408 HydrophobicContact CB-CG1 3.74Å
380	C	93.8	Very high	90.6	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-60.1	-44.5	175.1	-68.5	0	0	0	0	111.8	S346 F350 H376 T377 L383 L384	S346-C380 PolarHBondContact OG-O 3.32Å; F350-C380 HydrophobicContact CB-CB 4.26Å; F350-C380 HydrophobicContact CD2-CB 3.77Å; H376-C380 PolarHBondContact O-N 3.47Å; H376-C380 PolarHBondContact O-SG 3.24Å; T377-C380 PolarHBondContact O-N 2.9Å; C380-L383 WeakPolarHBondContact O-CB 3.32Å; C380-L383 PolarHBondContact O-N 2.92Å; C380-L384 WeakPolarHBondContact O-CB 3.46Å; C380-L384 PolarHBondContact O-N 3.16Å
381	L	92.2	Very high	90.9	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.005	9%	0.092	C	C	.	.	H	α-helix	trans	-65.1	-46	176.2	-76.9	169.5	0	0	0	112.4	F350 T377 S378 A379 L383 L384 L385 I461 L462 I499	F350-L381 HydrophobicContact CE2-CD1 4.47Å; F350-L381 HydrophobicContact CE2-CD2 4.11Å; F350-L381 HydrophobicContact CE2-CG 3.97Å; T377-L381 HydrophobicContact CG2-CD1 4.01Å; T377-L381 WeakPolarHBondContact O-CB 3.47Å; T377-L381 WeakPolarHBondContact O-CG 3.43Å; T377-L381 PolarHBondContact O-N 2.64Å; S378-L381 PolarHBondContact O-N 2.96Å; A379-L381 PolarHBondContact O-N 3.09Å; L381-L383 VanDerWaalsContact C-N 3.28Å; L381-L383 PolarHBondContact O-N 3Å; L381-L384 WeakPolarHBondContact O-CB 3.41Å; L381-L384 PolarHBondContact O-N 3.08Å; L381-L384 VanDerWaalsContact O-N 3.14Å; L381-L385 WeakPolarHBondContact O-CB 3.2Å; L381-L385 WeakPolarHBondContact O-CG 3.48Å; L381-L385 PolarHBondContact O-N 3.2Å; L381-I461 HydrophobicContact CD2-CB 3.91Å; L381-I461 HydrophobicContact CD2-CG2 3.49Å; L381-I461 VanDerWaalsContact CD2-CG2 3.49Å; L381-L462 HydrophobicContact CD1-CD1 4.13Å; L381-L462 HydrophobicContact CD1-CD2 3.49Å; L381-L462 VanDerWaalsContact CD1-CD2 3.49Å; L381-L462 HydrophobicContact CD1-CG 3.63Å; L381-I499 HydrophobicContact CB-CD1 4.13Å; L381-I499 HydrophobicContact CD1-CD1 3.83Å
382	L	91.5	Very high	90.8	Very high	2 Å²	2	18 Å²	18	1%	0.01	9%	0.09	C	C	.	.	H	α-helix	trans	-59.6	-42.1	176.2	-77.6	170.5	0	0	0	111.3	S378 A379 L384 N386 F400 S404 I499 I502 I503	S378-L382 WeakPolarHBondContact O-CB 3.29Å; S378-L382 VanDerWaalsContact O-CG 3.24Å; S378-L382 WeakPolarHBondContact O-CG 3.25Å; S378-L382 PolarHBondContact O-N 3.3Å; A379-L382 PolarHBondContact O-N 3.37Å; L382-L384 VanDerWaalsContact C-N 3.34Å; L382-L384 PolarHBondContact O-N 3.42Å; L382-N386 WeakPolarHBondContact O-CB 3.43Å; L382-N386 PolarHBondContact O-N 2.8Å; L382-N386 VanDerWaalsContact O-N 3.16Å; L382-N386 PolarHBondContact O-ND2 2.83Å; L382-F400 HydrophobicContact CD2-CD1 4.42Å; L382-S404 WeakPolarHBondContact CB-OG 3.42Å; L382-I499 HydrophobicContact CD2-CG2 4.23Å; L382-I499 HydrophobicContact CG-CG1 4.45Å; L382-I502 HydrophobicContact CD1-CB 3.97Å; L382-I502 HydrophobicContact CD1-CD1 3.74Å; L382-I502 HydrophobicContact CD1-CG1 4.47Å; L382-I502 HydrophobicContact CD1-CG2 3.6Å; L382-I503 HydrophobicContact CD2-CD1 4.06Å; L382-I503 HydrophobicContact CD2-CG1 3.8Å
383	L	93.8	Very high	90.7	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-59.2	-46	174.6	-170	63.9	0	0	0	110.9	V342 T345 A379 C380 L381 N386 V387 A401 I405 I408	V342-L383 HydrophobicContact CG1-CD1 3.33Å; V342-L383 HydrophobicContact CG1-CD2 4.18Å; V342-L383 HydrophobicContact CG1-CG 3.47Å; V342-L383 VanDerWaalsContact CG1-CG 3.47Å; T345-L383 HydrophobicContact CG2-CD2 4.13Å; A379-L383 VanDerWaalsContact O-CB 3.25Å; A379-L383 WeakPolarHBondContact O-CB 3.44Å; A379-L383 PolarHBondContact O-N 3.31Å; C380-L383 WeakPolarHBondContact O-CB 3.32Å; C380-L383 PolarHBondContact O-N 2.92Å; L381-L383 VanDerWaalsContact C-N 3.28Å; L381-L383 PolarHBondContact O-N 3Å; L383-N386 PolarHBondContact O-N 3.14Å; L383-V387 PolarHBondContact O-N 3.47Å; L383-A401 HydrophobicContact CD1-CB 3.68Å; L383-I405 HydrophobicContact CD1-CD1 4.21Å; L383-I405 HydrophobicContact CD1-CG1 4.07Å; L383-I405 HydrophobicContact CD2-CD1 3.67Å; L383-I405 HydrophobicContact CD2-CG1 4.39Å; L383-I408 HydrophobicContact CD2-CD1 3.87Å
384	L	92.7	Very high	90.6	Very high	11 Å²	11	18.8 Å²	18.8	6%	0.058	9%	0.093	C	C	.	.	H	α-helix	trans	-62.4	-49.9	178.9	-168.6	58.2	0	0	0	112.8	F343 S346 M347 C380 L381 L382 N386 V387 F457 I461	F343-L384 HydrophobicContact CD2-CD1 3.44Å; F343-L384 VanDerWaalsContact CD2-CD1 3.44Å; F343-L384 HydrophobicContact CE2-CD1 3.71Å; F343-L384 HydrophobicContact CG-CD1 4.44Å; S346-L384 WeakPolarHBondContact OG-CB 3.33Å; M347-L384 HydrophobicContact CE-CD1 3.67Å; M347-L384 HydrophobicContact CE-CD2 3.36Å; M347-L384 HydrophobicContact CE-CG 4.12Å; C380-L384 WeakPolarHBondContact O-CB 3.46Å; C380-L384 PolarHBondContact O-N 3.16Å; L381-L384 WeakPolarHBondContact O-CB 3.41Å; L381-L384 PolarHBondContact O-N 3.08Å; L381-L384 VanDerWaalsContact O-N 3.14Å; L382-L384 VanDerWaalsContact C-N 3.34Å; L382-L384 PolarHBondContact O-N 3.42Å; L384-N386 PolarHBondContact O-N 3.42Å; L384-V387 VanDerWaalsContact O-CB 3.31Å; L384-V387 WeakPolarHBondContact O-CB 3.44Å; L384-V387 WeakPolarHBondContact O-CG2 3.47Å; L384-V387 PolarHBondContact O-N 3.31Å; L384-F457 HydrophobicContact CD2-CE1 3.61Å; L384-F457 HydrophobicContact CD2-CZ 4.12Å; L384-F457 HydrophobicContact CG-CE1 4.05Å; L384-I461 HydrophobicContact CD2-CG1 4.28Å
385	L	91.3	Very high	90.7	Very high	19 Å²	19	22.4 Å²	22.4	10%	0.099	11%	0.107	C	C	.	.	H	α-helix	trans	-64.4	-26.6	-177.2	-69.7	172.2	0	0	0	112.1	L381 M454 F457 S458	L381-L385 WeakPolarHBondContact O-CB 3.2Å; L381-L385 WeakPolarHBondContact O-CG 3.48Å; L381-L385 PolarHBondContact O-N 3.2Å; L385-M454 HydrophobicContact CB-CE 3.77Å; L385-M454 HydrophobicContact CD2-CB 4.06Å; L385-M454 HydrophobicContact CD2-CE 4.35Å; L385-M454 HydrophobicContact CD2-CG 4.19Å; L385-F457 HydrophobicContact CD2-CD1 4.01Å; L385-S458 WeakPolarHBondContact CD1-OG 3.39Å
386	N	91.7	Very high	90.5	Very high	22 Å²	22	21.9 Å²	21.9	12%	0.118	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-2.4	179.6	-77.2	-75.9	0	0	0	114.5	L382 L383 L384 V388 G389 I390 A397 F400	L382-N386 WeakPolarHBondContact O-CB 3.43Å; L382-N386 PolarHBondContact O-N 2.8Å; L382-N386 VanDerWaalsContact O-N 3.16Å; L382-N386 PolarHBondContact O-ND2 2.83Å; L383-N386 PolarHBondContact O-N 3.14Å; L384-N386 PolarHBondContact O-N 3.42Å; N386-V388 VanDerWaalsContact C-N 3.3Å; N386-V388 PolarHBondContact O-N 3.06Å; N386-G389 CarbonylContact O-C 3.59Å; N386-G389 WeakPolarHBondContact O-CA 3.37Å; N386-G389 PolarHBondContact O-N 3.29Å; N386-I390 WeakPolarHBondContact O-CG1 3.24Å; N386-I390 PolarHBondContact O-N 3.46Å; N386-A397 HydrophobicContact CB-CB 4.23Å; N386-A397 WeakPolarHBondContact OD1-CA 3.33Å; N386-A397 WeakPolarHBondContact OD1-CB 3.27Å; N386-F400 HydrophobicContact CB-CB 4.46Å; N386-F400 WeakPolarHBondContact ND2-CB 3.36Å
387	V	92.1	Very high	90.4	Very high	23 Å²	23	22.1 Å²	22.1	14%	0.139	10%	0.103	C	C	.	.	H	α-helix	trans	-50.6	-47.7	175.5	168.6	0	0	0	0	111.9	A339 V342 F343 L383 L384 G389 I390 Y391	A339-V387 HydrophobicContact CB-CG1 3.9Å; A339-V387 WeakPolarHBondContact O-CG1 3.18Å; V342-V387 HydrophobicContact CG1-CG2 4.15Å; F343-V387 HydrophobicContact CB-CG1 4.26Å; F343-V387 HydrophobicContact CB-CG2 3.92Å; L383-V387 PolarHBondContact O-N 3.47Å; L384-V387 VanDerWaalsContact O-CB 3.31Å; L384-V387 WeakPolarHBondContact O-CB 3.44Å; L384-V387 WeakPolarHBondContact O-CG2 3.47Å; L384-V387 PolarHBondContact O-N 3.31Å; V387-G389 VanDerWaalsContact C-N 3.28Å; V387-G389 PolarHBondContact O-N 3.39Å; V387-I390 PolarHBondContact O-N 3.46Å; V387-Y391 PolarHBondContact O-N 3.11Å
388	V	88	Confident	90.4	Very high	66 Å²	66	22.1 Å²	22.1	40%	0.4	10%	0.104	S	C	.	.	H	α-helix	trans	-66.2	-32.1	177.7	178.6	0	0	0	0	111.7	N386 K392	N386-V388 VanDerWaalsContact C-N 3.3Å; N386-V388 PolarHBondContact O-N 3.06Å; V388-K392 HydrophobicContact CG1-CD 4.46Å; V388-K392 WeakPolarHBondContact O-CB 3.46Å; V388-K392 WeakPolarHBondContact O-CG 3.28Å; V388-K392 PolarHBondContact O-N 2.88Å
389	G	87.5	Confident	90.4	Very high	2 Å²	2	24.4 Å²	24.4	2%	0.021	12%	0.115	C	C	.	.	H	α-helix	trans	-69.6	-38.1	175.9	0	0	0	0	0	112.8	N386 V387 K392 Q393 S394	N386-G389 CarbonylContact O-C 3.59Å; N386-G389 WeakPolarHBondContact O-CA 3.37Å; N386-G389 PolarHBondContact O-N 3.29Å; V387-G389 VanDerWaalsContact C-N 3.28Å; V387-G389 PolarHBondContact O-N 3.39Å; G389-K392 CarbonylContact O-C 3.54Å; G389-K392 PolarHBondContact O-N 3.48Å; G389-Q393 PolarHBondContact O-N 3.42Å; G389-Q393 VanDerWaalsContact O-N 3.09Å; G389-S394 WeakPolarHBondContact O-CB 3.41Å; G389-S394 PolarHBondContact O-N 3.37Å
390	I	90.8	Very high	90.3	Very high	3 Å²	3	25 Å²	25	2%	0.015	12%	0.118	C	C	.	.	H	α-helix	trans	-66.2	-45.1	173.8	-62.9	165.9	0	0	0	110.2	L338 V342 N386 V387 K392 Q393 I398 A401 L432	L338-I390 HydrophobicContact CB-CG2 4.35Å; L338-I390 HydrophobicContact CD2-CG2 3.88Å; L338-I390 HydrophobicContact CG-CG2 3.88Å; V342-I390 HydrophobicContact CB-CD1 4.1Å; V342-I390 HydrophobicContact CG1-CD1 3.7Å; V342-I390 HydrophobicContact CG2-CD1 4.04Å; N386-I390 WeakPolarHBondContact O-CG1 3.24Å; N386-I390 PolarHBondContact O-N 3.46Å; V387-I390 PolarHBondContact O-N 3.46Å; I390-K392 PolarHBondContact O-N 3.29Å; I390-Q393 WeakPolarHBondContact O-CA 3.47Å; I390-Q393 PolarHBondContact O-N 3.26Å; I390-I398 HydrophobicContact CG1-CG1 4.31Å; I390-A401 HydrophobicContact CD1-CB 3.72Å; I390-A401 HydrophobicContact CG1-CB 4.36Å; I390-L432 HydrophobicContact CD1-CD2 4.11Å
391	Y	88.6	Confident	90.3	Very high	77 Å²	77	25 Å²	25	30%	0.302	12%	0.118	S	C	.	.	H	α-helix	trans	-56.2	-40.8	173.2	171.8	-106.2	0	0	0	112	K332 S335 L336 V387 Q393	K332-Y391 HydrophobicContact CB-CE2 4.06Å; K332-Y391 HydrophobicContact CD-CE2 4.32Å; K332-Y391 WeakPolarHBondContact CD-OH 3.34Å; S335-Y391 WeakPolarHBondContact CB-O 3.47Å; S335-Y391 PolarHBondContact OG-O 3.48Å; L336-Y391 HydrophobicContact CB-CD2 4.02Å; L336-Y391 HydrophobicContact CB-CE2 4.04Å; L336-Y391 HydrophobicContact CD1-CD2 3.98Å; L336-Y391 HydrophobicContact CD1-CE2 4.02Å; V387-Y391 PolarHBondContact O-N 3.11Å; Y391-Q393 PolarHBondContact O-N 2.98Å
392	K	84.3	Confident	90.5	Very high	77 Å²	77	26.9 Å²	26.9	34%	0.335	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	4.5	175.1	-69	-175	179.2	-170.5	0	114.3	V388 G389 I390 S394	V388-K392 HydrophobicContact CG1-CD 4.46Å; V388-K392 WeakPolarHBondContact O-CB 3.46Å; V388-K392 WeakPolarHBondContact O-CG 3.28Å; V388-K392 PolarHBondContact O-N 2.88Å; G389-K392 CarbonylContact O-C 3.54Å; G389-K392 PolarHBondContact O-N 3.48Å; I390-K392 PolarHBondContact O-N 3.29Å; K392-S394 VanDerWaalsContact C-N 3.29Å; K392-S394 PolarHBondContact O-N 2.87Å
393	Q	87.2	Confident	90.5	Very high	43 Å²	43	29.5 Å²	29.5	20%	0.201	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	40	178.4	-56.4	179.4	14	0	0	113.7	S335 G389 I390 Y391 A439 R440 R441	S335-Q393 PolarHBondContact OG-NE2 3.28Å; G389-Q393 PolarHBondContact O-N 3.42Å; G389-Q393 VanDerWaalsContact O-N 3.09Å; I390-Q393 WeakPolarHBondContact O-CA 3.47Å; I390-Q393 PolarHBondContact O-N 3.26Å; Y391-Q393 PolarHBondContact O-N 2.98Å; Q393-A439 WeakPolarHBondContact O-CB 3.5Å; Q393-R440 PolarHBondContact O-N 3.09Å; Q393-R441 PolarHBondContact O-N 3.26Å
394	S	89.1	Confident	90.6	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.007	14%	0.14	C	C	.	.	B	Isolated β-bridge	trans	-81.4	116.2	177.2	169.8	0	0	0	0	110.4	G389 K392 R396 A397 I398 R441 R444	G389-S394 WeakPolarHBondContact O-CB 3.41Å; G389-S394 PolarHBondContact O-N 3.37Å; K392-S394 VanDerWaalsContact C-N 3.29Å; K392-S394 PolarHBondContact O-N 2.87Å; S394-R396 PolarHBondContact O-N 3.08Å; S394-A397 WeakPolarHBondContact O-CB 3.31Å; S394-A397 PolarHBondContact O-N 3.26Å; S394-I398 PolarHBondContact O-N 2.98Å; S394-R441 CarbonylContact C-O 3.33Å; S394-R441 WeakPolarHBondContact CA-O 3.47Å; S394-R444 PolarHBondContact OG-N 3.05Å
395	R	89.5	Confident	90.7	Very high	75 Å²	75	29 Å²	29	28%	0.283	14%	0.138	S	C	.	.	H	α-helix	trans	-49.3	-46.9	176.5	-76.5	-175.5	179.5	-169.2	-1.8	111.7	A397 I398 I399 F436 A439 R441	R395-A397 VanDerWaalsContact C-N 3.31Å; R395-A397 PolarHBondContact O-N 3.42Å; R395-I398 PolarHBondContact O-N 3.26Å; R395-I399 WeakPolarHBondContact O-CG1 3.2Å; R395-I399 PolarHBondContact O-N 3.24Å; R395-F436 HydrophobicContact CB-CD2 4.49Å; R395-F436 HydrophobicContact CB-CE2 4Å; R395-F436 HydrophobicContact CG-CD2 4.42Å; R395-F436 HydrophobicContact CG-CE2 4.09Å; R395-A439 HydrophobicContact CB-CB 4.4Å; R395-A439 HydrophobicContact CG-CB 3.37Å; R395-R441 PolarHBondContact N-O 3.15Å
396	R	87.8	Confident	90.9	Very high	38 Å²	38	32.2 Å²	32.2	14%	0.143	16%	0.155	C	C	.	.	H	α-helix	trans	-57	-41.7	176.8	-168.6	177.2	66.2	-171.4	-3.1	113.5	S394 I399 F400 L442 R444 I506 F510	S394-R396 PolarHBondContact O-N 3.08Å; R396-I399 PolarHBondContact O-N 3.26Å; R396-F400 HydrophobicContact CG-CD2 4.04Å; R396-F400 HydrophobicContact CG-CE2 3.73Å; R396-F400 WeakPolarHBondContact O-CD2 3.37Å; R396-F400 PolarHBondContact O-N 3.45Å; R396-L442 PolarHBondContact N-O 3.32Å; R396-L442 VanDerWaalsContact N-O 3.09Å; R396-R444 PolarHBondContact NH2-O 2.95Å; R396-I506 HydrophobicContact CG-CG2 4.11Å; R396-F510 HydrophobicContact CB-CD1 4.1Å; R396-F510 HydrophobicContact CB-CD2 4.39Å; R396-F510 HydrophobicContact CB-CE1 3.62Å; R396-F510 HydrophobicContact CB-CE2 3.94Å; R396-F510 HydrophobicContact CB-CG 4.45Å; R396-F510 HydrophobicContact CB-CZ 3.53Å; R396-F510 HydrophobicContact CG-CD1 4.23Å; R396-F510 HydrophobicContact CG-CD2 3.84Å; R396-F510 HydrophobicContact CG-CE1 4.13Å; R396-F510 HydrophobicContact CG-CE2 3.72Å; R396-F510 HydrophobicContact CG-CG 4.09Å; R396-F510 HydrophobicContact CG-CZ 3.88Å
397	A	90.9	Very high	91	Very high	4 Å²	4	33.4 Å²	33.4	3%	0.033	16%	0.161	C	C	.	.	H	α-helix	trans	-72.4	-35.4	-178.1	0	0	0	0	0	111.4	N386 S394 R395 F400 A401	N386-A397 HydrophobicContact CB-CB 4.23Å; N386-A397 WeakPolarHBondContact OD1-CA 3.33Å; N386-A397 WeakPolarHBondContact OD1-CB 3.27Å; S394-A397 WeakPolarHBondContact O-CB 3.31Å; S394-A397 PolarHBondContact O-N 3.26Å; R395-A397 VanDerWaalsContact C-N 3.31Å; R395-A397 PolarHBondContact O-N 3.42Å; A397-F400 PolarHBondContact O-N 3.19Å; A397-A401 WeakPolarHBondContact O-CB 3.5Å; A397-A401 PolarHBondContact O-N 3.05Å
398	I	91.9	Very high	91.2	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-67	-39.6	175	-64.3	164.5	0	0	0	110.3	I390 S394 R395 A401 M402 L432 A435 F436 A439	I390-I398 HydrophobicContact CG1-CG1 4.31Å; S394-I398 PolarHBondContact O-N 2.98Å; R395-I398 PolarHBondContact O-N 3.26Å; I398-A401 WeakPolarHBondContact O-CB 3.43Å; I398-A401 PolarHBondContact O-N 3.35Å; I398-M402 HydrophobicContact CG2-CG 4.42Å; I398-M402 HydrophobicContact CG2-SD 4.19Å; I398-M402 VanDerWaalsContact O-CG 3.31Å; I398-M402 WeakPolarHBondContact O-CG 3.19Å; I398-M402 PolarHBondContact O-N 3.24Å; I398-L432 HydrophobicContact CG2-CB 4.36Å; I398-L432 HydrophobicContact CG2-CD2 4.26Å; I398-L432 WeakPolarHBondContact CG2-O 3.47Å; I398-A435 HydrophobicContact CD1-CB 4.07Å; I398-F436 HydrophobicContact CB-CD2 4.42Å; I398-F436 HydrophobicContact CG2-CB 3.82Å; I398-F436 HydrophobicContact CG2-CD2 4.13Å; I398-F436 HydrophobicContact CG2-CG 4.48Å; I398-A439 HydrophobicContact CD1-CB 3.91Å
399	I	91.3	Very high	91.5	Very high	48 Å²	48	31 Å²	31	25%	0.246	15%	0.146	C	C	.	.	H	α-helix	trans	-62.7	-46.5	173.3	-69.7	-179.3	0	0	0	111.3	R395 R396 A401 M402 I403 F436 F510	R395-I399 WeakPolarHBondContact O-CG1 3.2Å; R395-I399 PolarHBondContact O-N 3.24Å; R396-I399 PolarHBondContact O-N 3.26Å; I399-A401 PolarHBondContact O-N 3.46Å; I399-M402 PolarHBondContact O-N 2.97Å; I399-I403 HydrophobicContact CG2-CD1 3.77Å; I399-I403 HydrophobicContact CG2-CG1 4.44Å; I399-I403 WeakPolarHBondContact O-CG1 3.31Å; I399-I403 PolarHBondContact O-N 3.14Å; I399-F436 HydrophobicContact CD1-CE2 3.7Å; I399-F436 HydrophobicContact CD1-CZ 4.2Å; I399-F436 HydrophobicContact CG1-CD2 4.11Å; I399-F436 HydrophobicContact CG1-CE2 3.63Å; I399-F436 HydrophobicContact CG1-CZ 4.48Å; I399-F510 HydrophobicContact CD1-CE2 3.82Å; I399-F510 HydrophobicContact CD1-CZ 3.77Å
400	F	91.1	Very high	91.8	Very high	13 Å²	13	34.4 Å²	34.4	6%	0.057	17%	0.167	C	C	.	.	H	α-helix	trans	-54.5	-43.9	173.1	-83.8	-67.3	0	0	0	111.6	L382 N386 R396 A397 S404 I502 I503 I506	L382-F400 HydrophobicContact CD2-CD1 4.42Å; N386-F400 HydrophobicContact CB-CB 4.46Å; N386-F400 WeakPolarHBondContact ND2-CB 3.36Å; R396-F400 HydrophobicContact CG-CD2 4.04Å; R396-F400 HydrophobicContact CG-CE2 3.73Å; R396-F400 WeakPolarHBondContact O-CD2 3.37Å; R396-F400 PolarHBondContact O-N 3.45Å; A397-F400 PolarHBondContact O-N 3.19Å; F400-S404 WeakPolarHBondContact O-CB 3.37Å; F400-S404 PolarHBondContact O-N 3.25Å; F400-S404 PolarHBondContact O-OG 3Å; F400-I502 HydrophobicContact CD1-CG2 4.32Å; F400-I502 HydrophobicContact CE1-CG2 4.2Å; F400-I503 HydrophobicContact CE1-CG1 4.17Å; F400-I503 HydrophobicContact CZ-CG1 4.43Å; F400-I506 HydrophobicContact CD1-CB 4.4Å; F400-I506 HydrophobicContact CD1-CD1 3.27Å; F400-I506 HydrophobicContact CD1-CG1 4.4Å; F400-I506 HydrophobicContact CD1-CG2 4.34Å; F400-I506 HydrophobicContact CD2-CG2 4.13Å; F400-I506 HydrophobicContact CE1-CB 3.63Å; F400-I506 HydrophobicContact CE1-CD1 3.22Å; F400-I506 HydrophobicContact CE1-CG1 3.96Å; F400-I506 HydrophobicContact CE1-CG2 3.82Å; F400-I506 HydrophobicContact CE2-CB 4.22Å; F400-I506 HydrophobicContact CE2-CG2 3.57Å; F400-I506 HydrophobicContact CG-CD1 4.1Å; F400-I506 HydrophobicContact CG-CG2 4.47Å; F400-I506 HydrophobicContact CZ-CB 3.5Å; F400-I506 VanDerWaalsContact CZ-CB 3.5Å; F400-I506 HydrophobicContact CZ-CD1 4.01Å; F400-I506 HydrophobicContact CZ-CG1 4.34Å; F400-I506 HydrophobicContact CZ-CG2 3.38Å
401	A	93.9	Very high	91.9	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-66.6	-41.3	178.3	0	0	0	0	0	112.5	L383 I390 A397 I398 I399 S404 I405 L432	L383-A401 HydrophobicContact CD1-CB 3.68Å; I390-A401 HydrophobicContact CD1-CB 3.72Å; I390-A401 HydrophobicContact CG1-CB 4.36Å; A397-A401 WeakPolarHBondContact O-CB 3.5Å; A397-A401 PolarHBondContact O-N 3.05Å; I398-A401 WeakPolarHBondContact O-CB 3.43Å; I398-A401 PolarHBondContact O-N 3.35Å; I399-A401 PolarHBondContact O-N 3.46Å; A401-S404 WeakPolarHBondContact O-CB 3.4Å; A401-S404 PolarHBondContact O-N 3.13Å; A401-I405 VanDerWaalsContact O-CG1 3.29Å; A401-I405 WeakPolarHBondContact O-CG1 3.18Å; A401-I405 PolarHBondContact O-N 3.45Å; A401-L432 HydrophobicContact CB-CD1 3.96Å; A401-L432 HydrophobicContact CB-CD2 3.87Å
402	M	94.9	Very high	92	Very high	39 Å²	39	30.6 Å²	30.6	19%	0.192	15%	0.152	C	C	.	.	H	α-helix	trans	-61.8	-46.5	175.8	-73.8	174.8	67	0	0	111.5	I398 I399 S404 I405 L406 F429 L432 I433	I398-M402 HydrophobicContact CG2-CG 4.42Å; I398-M402 HydrophobicContact CG2-SD 4.19Å; I398-M402 VanDerWaalsContact O-CG 3.31Å; I398-M402 WeakPolarHBondContact O-CG 3.19Å; I398-M402 PolarHBondContact O-N 3.24Å; I399-M402 PolarHBondContact O-N 2.97Å; M402-S404 VanDerWaalsContact C-N 3.32Å; M402-S404 PolarHBondContact O-N 3.41Å; M402-I405 PolarHBondContact O-N 3.45Å; M402-L406 WeakPolarHBondContact O-CG 3.26Å; M402-L406 PolarHBondContact O-N 2.94Å; M402-F429 HydrophobicContact CB-CE2 3.96Å; M402-F429 HydrophobicContact CE-CE2 3.96Å; M402-F429 HydrophobicContact CE-CZ 3.84Å; M402-F429 HydrophobicContact CG-CE2 4.21Å; M402-L432 HydrophobicContact CG-CB 3.75Å; M402-L432 HydrophobicContact CG-CD1 4.18Å; M402-I433 HydrophobicContact CE-CG1 3.9Å
403	I	93.3	Very high	92.4	Very high	57 Å²	57	33.6 Å²	33.6	29%	0.292	17%	0.165	S	C	.	.	H	α-helix	trans	-62.7	-42.1	176.1	-68.1	168.3	0	0	0	110.2	I399 I405 L406 L407 I506	I399-I403 HydrophobicContact CG2-CD1 3.77Å; I399-I403 HydrophobicContact CG2-CG1 4.44Å; I399-I403 WeakPolarHBondContact O-CG1 3.31Å; I399-I403 PolarHBondContact O-N 3.14Å; I403-I405 PolarHBondContact O-N 3.18Å; I403-L406 PolarHBondContact O-N 3.42Å; I403-L407 HydrophobicContact CG2-CD1 4.08Å; I403-L407 HydrophobicContact CG2-CG 4.37Å; I403-L407 WeakPolarHBondContact O-CG 3.19Å; I403-L407 PolarHBondContact O-N 3.36Å; I403-I506 HydrophobicContact CD1-CD1 3.56Å; I403-I506 HydrophobicContact CD1-CG1 4.22Å
404	S	94.5	Very high	92.5	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-61.5	-44.3	176.8	-58.4	0	0	0	0	111.9	A379 L382 F400 A401 M402 L406 L407 I408	A379-S404 VanDerWaalsContact O-CB 3.29Å; A379-S404 WeakPolarHBondContact O-CB 3.44Å; A379-S404 PolarHBondContact O-OG 3.27Å; L382-S404 WeakPolarHBondContact CB-OG 3.42Å; F400-S404 WeakPolarHBondContact O-CB 3.37Å; F400-S404 PolarHBondContact O-N 3.25Å; F400-S404 PolarHBondContact O-OG 3Å; A401-S404 WeakPolarHBondContact O-CB 3.4Å; A401-S404 PolarHBondContact O-N 3.13Å; M402-S404 VanDerWaalsContact C-N 3.32Å; M402-S404 PolarHBondContact O-N 3.41Å; S404-L406 VanDerWaalsContact C-N 3.33Å; S404-L406 PolarHBondContact O-N 3.35Å; S404-L407 PolarHBondContact O-N 3.37Å; S404-I408 WeakPolarHBondContact O-CB 3.31Å; S404-I408 WeakPolarHBondContact O-CD1 3.33Å; S404-I408 WeakPolarHBondContact O-CG1 3.4Å; S404-I408 PolarHBondContact O-N 3.38Å
405	I	96	Very high	92.5	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-63	-40.2	176.5	-69.3	-68.2	0	0	0	111	T345 L383 A401 M402 I403 I408 T409 L425 I428 F429 L432	T345-I405 HydrophobicContact CG2-CD1 3.95Å; L383-I405 HydrophobicContact CD1-CD1 4.21Å; L383-I405 HydrophobicContact CD1-CG1 4.07Å; L383-I405 HydrophobicContact CD2-CD1 3.67Å; L383-I405 HydrophobicContact CD2-CG1 4.39Å; A401-I405 VanDerWaalsContact O-CG1 3.29Å; A401-I405 WeakPolarHBondContact O-CG1 3.18Å; A401-I405 PolarHBondContact O-N 3.45Å; M402-I405 PolarHBondContact O-N 3.45Å; I403-I405 PolarHBondContact O-N 3.18Å; I405-I408 PolarHBondContact O-N 3.3Å; I405-T409 WeakPolarHBondContact O-CB 3.38Å; I405-T409 PolarHBondContact O-N 2.92Å; I405-T409 PolarHBondContact O-OG1 2.9Å; I405-L425 HydrophobicContact CD1-CD2 3.9Å; I405-L425 HydrophobicContact CG2-CB 4.41Å; I405-L425 HydrophobicContact CG2-CD2 4.35Å; I405-I428 HydrophobicContact CD1-CB 4.41Å; I405-I428 HydrophobicContact CD1-CG2 3.74Å; I405-I428 HydrophobicContact CG1-CG2 4.06Å; I405-F429 HydrophobicContact CB-CD2 4.4Å; I405-F429 HydrophobicContact CG2-CB 4.01Å; I405-F429 HydrophobicContact CG2-CD2 4.01Å; I405-F429 HydrophobicContact CG2-CG 4.47Å; I405-L432 HydrophobicContact CG1-CD1 3.86Å
406	L	95.5	Very high	92.4	Very high	87 Å²	87	37.6 Å²	37.6	46%	0.455	19%	0.185	S	C	.	.	H	α-helix	trans	-62.2	-47.4	175.1	-72.6	168	0	0	0	111.7	M402 I403 S404 I408 T409 V410 F429	M402-L406 WeakPolarHBondContact O-CG 3.26Å; M402-L406 PolarHBondContact O-N 2.94Å; I403-L406 PolarHBondContact O-N 3.42Å; S404-L406 VanDerWaalsContact C-N 3.33Å; S404-L406 PolarHBondContact O-N 3.35Å; L406-I408 PolarHBondContact O-N 3.3Å; L406-T409 WeakPolarHBondContact O-CB 3.34Å; L406-T409 PolarHBondContact O-N 3.01Å; L406-V410 WeakPolarHBondContact O-CG2 3.29Å; L406-V410 PolarHBondContact O-N 3.38Å; L406-F429 HydrophobicContact CD1-CE2 4.02Å; L406-F429 HydrophobicContact CD1-CZ 4.31Å; L406-F429 HydrophobicContact CD2-CE2 4.04Å; L406-F429 HydrophobicContact CD2-CZ 4.22Å; L406-F429 HydrophobicContact CG-CD2 4.46Å; L406-F429 HydrophobicContact CG-CE2 3.78Å; L406-F429 HydrophobicContact CG-CZ 4.32Å
407	L	93.7	Very high	92.3	Very high	46 Å²	46	38.4 Å²	38.4	24%	0.241	20%	0.2	C	C	.	.	H	α-helix	trans	-62.3	-41.5	176.8	-68.4	175.8	0	0	0	112.1	I375 A379 I403 S404 T409 V410 A411 I502	I375-L407 HydrophobicContact CG2-CB 4.12Å; I375-L407 HydrophobicContact CG2-CD1 4.4Å; I375-L407 HydrophobicContact CG2-CD2 3.95Å; I375-L407 HydrophobicContact CG2-CG 4.38Å; A379-L407 HydrophobicContact CB-CB 3.66Å; A379-L407 HydrophobicContact CB-CD1 4.21Å; I403-L407 HydrophobicContact CG2-CD1 4.08Å; I403-L407 HydrophobicContact CG2-CG 4.37Å; I403-L407 WeakPolarHBondContact O-CG 3.19Å; I403-L407 PolarHBondContact O-N 3.36Å; S404-L407 PolarHBondContact O-N 3.37Å; L407-T409 VanDerWaalsContact C-N 3.32Å; L407-T409 PolarHBondContact O-N 2.87Å; L407-V410 PolarHBondContact O-N 2.96Å; L407-A411 PolarHBondContact O-N 2.91Å; L407-I502 HydrophobicContact CD1-CD1 3.91Å
408	I	94.9	Very high	92.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-62.2	-42.3	174.5	-69.6	164.2	0	0	0	110.6	F349 A379 L383 S404 I405 L406 A411 T412 L425	F349-I408 HydrophobicContact CB-CG2 4.14Å; F349-I408 HydrophobicContact CD1-CG2 3.32Å; F349-I408 HydrophobicContact CD2-CG2 4.19Å; F349-I408 HydrophobicContact CE1-CG2 3.71Å; F349-I408 HydrophobicContact CG-CG2 3.61Å; F349-I408 HydrophobicContact CZ-CG2 4.29Å; A379-I408 HydrophobicContact CB-CD1 4.32Å; A379-I408 HydrophobicContact CB-CG1 3.74Å; L383-I408 HydrophobicContact CD2-CD1 3.87Å; S404-I408 WeakPolarHBondContact O-CB 3.31Å; S404-I408 WeakPolarHBondContact O-CD1 3.33Å; S404-I408 WeakPolarHBondContact O-CG1 3.4Å; S404-I408 PolarHBondContact O-N 3.38Å; I405-I408 PolarHBondContact O-N 3.3Å; L406-I408 PolarHBondContact O-N 3.3Å; I408-A411 PolarHBondContact O-N 2.7Å; I408-T412 VanDerWaalsContact O-CB 3.28Å; I408-T412 WeakPolarHBondContact O-CB 3.46Å; I408-T412 PolarHBondContact O-N 3.44Å; I408-T412 PolarHBondContact O-OG1 2.85Å; I408-L425 HydrophobicContact CG2-CD1 3.96Å; I408-L425 HydrophobicContact CG2-CD2 3.84Å
409	T	95	Very high	91.9	Very high	38 Å²	38	50 Å²	50	23%	0.233	25%	0.25	C	C	.	.	H	α-helix	trans	-62.9	-46.2	179.5	-57.1	0	0	0	0	110.7	I405 L406 L407 T412 F413 I422 L425	I405-T409 WeakPolarHBondContact O-CB 3.38Å; I405-T409 PolarHBondContact O-N 2.92Å; I405-T409 PolarHBondContact O-OG1 2.9Å; L406-T409 WeakPolarHBondContact O-CB 3.34Å; L406-T409 PolarHBondContact O-N 3.01Å; L407-T409 VanDerWaalsContact C-N 3.32Å; L407-T409 PolarHBondContact O-N 2.87Å; T409-T412 PolarHBondContact O-N 3.3Å; T409-F413 VanDerWaalsContact O-CB 3.3Å; T409-F413 WeakPolarHBondContact O-CB 3.38Å; T409-F413 PolarHBondContact O-N 3.47Å; T409-I422 HydrophobicContact CG2-CD1 4.25Å; T409-L425 WeakPolarHBondContact OG1-CD1 3.46Å
410	V	93.6	Very high	91.6	Very high	75 Å²	75	53.3 Å²	53.3	46%	0.455	27%	0.267	S	S	.	.	H	α-helix	trans	-59.7	-51.3	176.8	171.4	0	0	0	0	110.5	L406 L407 T412 F413 F414	L406-V410 WeakPolarHBondContact O-CG2 3.29Å; L406-V410 PolarHBondContact O-N 3.38Å; L407-V410 PolarHBondContact O-N 2.96Å; V410-T412 VanDerWaalsContact C-N 3.34Å; V410-T412 PolarHBondContact O-N 2.8Å; V410-F413 WeakPolarHBondContact O-CB 3.43Å; V410-F413 PolarHBondContact O-N 2.94Å; V410-F414 HydrophobicContact CG1-CD2 3.88Å; V410-F414 HydrophobicContact CG1-CE2 3.85Å; V410-F414 WeakPolarHBondContact O-CD2 3.29Å; V410-F414 PolarHBondContact O-N 3.25Å
411	A	92.6	Very high	91.6	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-63.1	-39.3	179.4	0	0	0	0	0	113.1	L372 H376 L407 I408 F413 F414 T415	L372-A411 HydrophobicContact CD1-CB 3.74Å; L372-A411 HydrophobicContact CD2-CB 4.47Å; L372-A411 HydrophobicContact CG-CB 3.86Å; H376-A411 HydrophobicContact CB-CB 3.81Å; L407-A411 PolarHBondContact O-N 2.91Å; I408-A411 PolarHBondContact O-N 2.7Å; A411-F413 VanDerWaalsContact C-N 3.33Å; A411-F413 PolarHBondContact O-N 3.34Å; A411-F414 PolarHBondContact O-N 3.29Å; A411-T415 WeakPolarHBondContact O-CG2 3.4Å; A411-T415 PolarHBondContact O-N 3.36Å; A411-T415 PolarHBondContact O-OG1 3.49Å
412	T	92	Very high	91.5	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-65.1	-38.8	175.7	-56.6	0	0	0	0	111.3	F349 I408 T409 V410 F414 T415 Y416 A417 L421 I422	F349-T412 HydrophobicContact CE1-CG2 4.14Å; F349-T412 VanDerWaalsContact CE1-OG1 3.27Å; F349-T412 WeakPolarHBondContact CE1-OG1 3.49Å; I408-T412 VanDerWaalsContact O-CB 3.28Å; I408-T412 WeakPolarHBondContact O-CB 3.46Å; I408-T412 PolarHBondContact O-N 3.44Å; I408-T412 PolarHBondContact O-OG1 2.85Å; T409-T412 PolarHBondContact O-N 3.3Å; V410-T412 VanDerWaalsContact C-N 3.34Å; V410-T412 PolarHBondContact O-N 2.8Å; T412-F414 VanDerWaalsContact C-N 3.33Å; T412-F414 PolarHBondContact O-N 3.2Å; T412-T415 PolarHBondContact O-N 3.42Å; T412-Y416 HydrophobicContact CG2-CD2 4.32Å; T412-Y416 HydrophobicContact CG2-CE2 3.96Å; T412-Y416 PolarHBondContact O-N 2.89Å; T412-A417 WeakPolarHBondContact O-CA 3.45Å; T412-A417 WeakPolarHBondContact O-CB 3.29Å; T412-A417 PolarHBondContact O-N 3.33Å; T412-L421 HydrophobicContact CG2-CB 4.31Å; T412-L421 HydrophobicContact CG2-CD1 4.23Å; T412-I422 HydrophobicContact CG2-CD1 4.17Å
413	F	92.2	Very high	91.3	Very high	140 Å²	140	58.7 Å²	58.7	61%	0.614	30%	0.299	S	S	*	.	H	α-helix	trans	-63.5	-38.2	179.3	-170.3	-94.1	0	0	0	112.2	T409 V410 A411	T409-F413 VanDerWaalsContact O-CB 3.3Å; T409-F413 WeakPolarHBondContact O-CB 3.38Å; T409-F413 PolarHBondContact O-N 3.47Å; V410-F413 WeakPolarHBondContact O-CB 3.43Å; V410-F413 PolarHBondContact O-N 2.94Å; A411-F413 VanDerWaalsContact C-N 3.33Å; A411-F413 PolarHBondContact O-N 3.34Å
414	F	89.5	Confident	91.3	Very high	139 Å²	139	58.1 Å²	58.1	61%	0.61	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-4.6	-179.6	-75.5	-69.5	0	0	0	115.1	L372 V410 A411 T412	L372-F414 HydrophobicContact CD2-CB 4Å; V410-F414 HydrophobicContact CG1-CD2 3.88Å; V410-F414 HydrophobicContact CG1-CE2 3.85Å; V410-F414 WeakPolarHBondContact O-CD2 3.29Å; V410-F414 PolarHBondContact O-N 3.25Å; A411-F414 PolarHBondContact O-N 3.29Å; T412-F414 VanDerWaalsContact C-N 3.33Å; T412-F414 PolarHBondContact O-N 3.2Å
415	T	87.9	Confident	91.3	Very high	27 Å²	27	58.1 Å²	58.1	17%	0.166	29%	0.294	C	S	.	.	S	Bend	trans	-122	-85.9	-175.2	51.1	0	0	0	0	111.2	I356 Y369 L372 A411 T412	I356-T415 HydrophobicContact CB-CG2 4.47Å; I356-T415 HydrophobicContact CG1-CG2 4.07Å; I356-T415 HydrophobicContact CG2-CG2 4.09Å; Y369-T415 HydrophobicContact CD1-CG2 4.35Å; Y369-T415 HydrophobicContact CE1-CG2 4.06Å; L372-T415 HydrophobicContact CD2-CG2 3.42Å; L372-T415 VanDerWaalsContact CD2-CG2 3.42Å; A411-T415 WeakPolarHBondContact O-CG2 3.4Å; A411-T415 PolarHBondContact O-N 3.36Å; A411-T415 PolarHBondContact O-OG1 3.49Å; T412-T415 PolarHBondContact O-N 3.42Å
416	Y	87.4	Confident	91.3	Very high	36 Å²	36	60.6 Å²	60.6	14%	0.141	31%	0.314	C	S	.	.	S	Bend	trans	-116.8	40.6	-170.8	55.4	-90.9	0	0	0	112.9	N352 T355 I356 H376 T412 S418 L421	N352-Y416 HydrophobicContact CB-CE1 4.23Å; N352-Y416 HydrophobicContact CB-CE2 3.87Å; N352-Y416 WeakPolarHBondContact CB-OH 3.33Å; T355-Y416 HydrophobicContact CG2-CD1 3.6Å; T355-Y416 HydrophobicContact CG2-CE1 4.49Å; T355-Y416 HydrophobicContact CG2-CG 3.71Å; I356-Y416 HydrophobicContact CD1-CE1 4.24Å; I356-Y416 HydrophobicContact CG1-CD1 4.24Å; I356-Y416 HydrophobicContact CG1-CE1 3.63Å; H376-Y416 PolarHBondContact CE1-OH 2.86Å; H376-Y416 PolarHBondContact NE2-OH 2.67Å; T412-Y416 HydrophobicContact CG2-CD2 4.32Å; T412-Y416 HydrophobicContact CG2-CE2 3.96Å; T412-Y416 PolarHBondContact O-N 2.89Å; Y416-S418 PolarHBondContact O-N 3.4Å; Y416-L421 HydrophobicContact CD2-CD1 3.74Å; Y416-L421 HydrophobicContact CE2-CD1 3.65Å
417	A	86.5	Confident	91.2	Very high	56 Å²	56	59.5 Å²	59.5	46%	0.463	31%	0.308	S	S	.	.			trans	-51.5	127.3	-174	0	0	0	0	0	112.5	T412	T412-A417 WeakPolarHBondContact O-CA 3.45Å; T412-A417 WeakPolarHBondContact O-CB 3.29Å; T412-A417 PolarHBondContact O-N 3.33Å
418	S	86.8	Confident	91.2	Very high	34 Å²	34	57.4 Å²	57.4	24%	0.238	30%	0.297	C	S	.	.			trans	-134.1	145.9	170.6	74.1	0	0	0	0	110.6	Y416 I420 L421 I422	Y416-S418 PolarHBondContact O-N 3.4Å; S418-I420 PolarHBondContact O-N 2.88Å; S418-I420 VanDerWaalsContact O-N 3.13Å; S418-L421 PolarHBondContact O-N 3.26Å; S418-L421 VanDerWaalsContact O-N 3.1Å; S418-L421 WeakPolarHBondContact OG-CB 3.46Å; S418-L421 WeakPolarHBondContact OG-CD1 3.3Å; S418-L421 WeakPolarHBondContact OG-CG 3.26Å; S418-L421 PolarHBondContact OG-N 2.97Å; S418-I422 WeakPolarHBondContact O-CG1 3.49Å; S418-I422 PolarHBondContact O-N 3.23Å
419	Y	87.4	Confident	91.3	Very high	214 Å²	214	59.9 Å²	59.9	84%	0.839	31%	0.308	S	S	*	.	H	α-helix	trans	-54.7	-35.1	179.5	-61.9	-66.9	0	0	0	112.4	T423	Y419-T423 WeakPolarHBondContact O-CB 3.4Å; Y419-T423 PolarHBondContact O-N 3.47Å; Y419-T423 PolarHBondContact O-OG1 2.95Å
420	I	86.1	Confident	91.2	Very high	117 Å²	117	61.9 Å²	61.9	60%	0.6	32%	0.32	S	S	*	.	H	α-helix	trans	-65.6	-49.4	178.7	-60.7	171.5	0	0	0	110.7	V54 S418 T423 W424	V54-I420 HydrophobicContact CG2-CD1 4.49Å; S418-I420 PolarHBondContact O-N 2.88Å; S418-I420 VanDerWaalsContact O-N 3.13Å; I420-T423 PolarHBondContact O-N 2.91Å; I420-W424 WeakPolarHBondContact O-CB 3.33Å; I420-W424 PolarHBondContact O-N 3.33Å
421	L	89.9	Confident	91.2	Very high	30 Å²	30	58.6 Å²	58.6	16%	0.157	30%	0.3	C	S	.	.	H	α-helix	trans	-67	-42.8	-178.3	-68.2	173.7	0	0	0	112	F349 T412 Y416 S418 W424 L425	F349-L421 HydrophobicContact CE1-CD2 4.34Å; F349-L421 HydrophobicContact CE2-CD2 4.43Å; F349-L421 HydrophobicContact CZ-CB 4.15Å; F349-L421 HydrophobicContact CZ-CD2 3.85Å; F349-L421 HydrophobicContact CZ-CG 4.48Å; T412-L421 HydrophobicContact CG2-CB 4.31Å; T412-L421 HydrophobicContact CG2-CD1 4.23Å; Y416-L421 HydrophobicContact CD2-CD1 3.74Å; Y416-L421 HydrophobicContact CE2-CD1 3.65Å; S418-L421 PolarHBondContact O-N 3.26Å; S418-L421 VanDerWaalsContact O-N 3.1Å; S418-L421 WeakPolarHBondContact OG-CB 3.46Å; S418-L421 WeakPolarHBondContact OG-CD1 3.3Å; S418-L421 WeakPolarHBondContact OG-CG 3.26Å; S418-L421 PolarHBondContact OG-N 2.97Å; L421-W424 WeakPolarHBondContact O-CB 3.4Å; L421-W424 PolarHBondContact O-N 2.86Å; L421-L425 WeakPolarHBondContact O-CG 3.34Å; L421-L425 PolarHBondContact O-N 2.96Å
422	I	92	Very high	91.3	Very high	52 Å²	52	58.6 Å²	58.6	27%	0.267	30%	0.3	S	S	.	.	H	α-helix	trans	-66.5	-42	178.9	-61.2	-60.4	0	0	0	110.8	T409 T412 S418 W424 L425 A426	T409-I422 HydrophobicContact CG2-CD1 4.25Å; T412-I422 HydrophobicContact CG2-CD1 4.17Å; S418-I422 WeakPolarHBondContact O-CG1 3.49Å; S418-I422 PolarHBondContact O-N 3.23Å; I422-W424 VanDerWaalsContact C-N 3.32Å; I422-W424 PolarHBondContact O-N 2.89Å; I422-L425 PolarHBondContact O-N 3.4Å; I422-A426 WeakPolarHBondContact O-CB 3.29Å; I422-A426 PolarHBondContact O-N 3.5Å
423	T	91	Very high	91.3	Very high	83 Å²	83	61.2 Å²	61.2	51%	0.509	31%	0.313	S	S	.	.	H	α-helix	trans	-62.8	-40.8	175.1	-56.9	0	0	0	0	111.2	Y419 I420 A426 I427	Y419-T423 WeakPolarHBondContact O-CB 3.4Å; Y419-T423 PolarHBondContact O-N 3.47Å; Y419-T423 PolarHBondContact O-OG1 2.95Å; I420-T423 PolarHBondContact O-N 2.91Å; T423-A426 PolarHBondContact O-N 3.1Å; T423-I427 HydrophobicContact CG2-CD1 4.12Å; T423-I427 VanDerWaalsContact O-CG1 3.3Å; T423-I427 WeakPolarHBondContact O-CG1 3.31Å; T423-I427 PolarHBondContact O-N 2.94Å
424	W	92.2	Very high	91.2	Very high	45 Å²	45	56.2 Å²	56.2	17%	0.17	29%	0.294	C	S	.	.	H	α-helix	trans	-59.6	-50.5	174.9	176.1	-97.4	0	0	0	112.2	I288 L341 T345 I420 L421 I422 A426 I427 I428	I288-W424 HydrophobicContact CD1-CH2 4.38Å; I288-W424 HydrophobicContact CG1-CH2 4.46Å; I288-W424 HydrophobicContact CG2-CH2 3.72Å; I288-W424 HydrophobicContact CG2-CZ3 3.49Å; I288-W424 VanDerWaalsContact CG2-CZ3 3.49Å; L341-W424 HydrophobicContact CD2-CH2 3.77Å; L341-W424 HydrophobicContact CD2-CZ2 4.37Å; T345-W424 WeakPolarHBondContact OG1-CZ2 3.28Å; T345-W424 PolarHBondContact OG1-NE1 3.17Å; I420-W424 WeakPolarHBondContact O-CB 3.33Å; I420-W424 PolarHBondContact O-N 3.33Å; L421-W424 WeakPolarHBondContact O-CB 3.4Å; L421-W424 PolarHBondContact O-N 2.86Å; I422-W424 VanDerWaalsContact C-N 3.32Å; I422-W424 PolarHBondContact O-N 2.89Å; W424-A426 VanDerWaalsContact C-N 3.29Å; W424-A426 PolarHBondContact O-N 3.13Å; W424-I427 PolarHBondContact O-N 3.31Å; W424-I428 HydrophobicContact CD2-CG1 4.44Å; W424-I428 HydrophobicContact CH2-CD1 4.48Å; W424-I428 HydrophobicContact CZ2-CD1 3.97Å; W424-I428 HydrophobicContact CZ2-CG1 4.29Å; W424-I428 WeakPolarHBondContact O-CG1 3.5Å; W424-I428 PolarHBondContact O-N 3.49Å
425	L	95	Very high	91.2	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-60.8	-39.8	178.2	-69.7	171.7	0	0	0	111.6	T345 F349 I405 I408 T409 L421 I422 I428 F429	T345-L425 HydrophobicContact CG2-CD2 4.13Å; F349-L425 HydrophobicContact CD2-CD2 4.22Å; F349-L425 HydrophobicContact CE1-CD1 3.86Å; F349-L425 HydrophobicContact CE1-CD2 4.37Å; F349-L425 HydrophobicContact CE1-CG 4.32Å; F349-L425 HydrophobicContact CE2-CD1 4.37Å; F349-L425 HydrophobicContact CE2-CD2 3.57Å; F349-L425 HydrophobicContact CE2-CG 3.95Å; F349-L425 HydrophobicContact CZ-CD1 3.58Å; F349-L425 HydrophobicContact CZ-CD2 3.65Å; F349-L425 HydrophobicContact CZ-CG 3.56Å; I405-L425 HydrophobicContact CD1-CD2 3.9Å; I405-L425 HydrophobicContact CG2-CB 4.41Å; I405-L425 HydrophobicContact CG2-CD2 4.35Å; I408-L425 HydrophobicContact CG2-CD1 3.96Å; I408-L425 HydrophobicContact CG2-CD2 3.84Å; T409-L425 WeakPolarHBondContact OG1-CD1 3.46Å; L421-L425 WeakPolarHBondContact O-CG 3.34Å; L421-L425 PolarHBondContact O-N 2.96Å; I422-L425 PolarHBondContact O-N 3.4Å; L425-I428 PolarHBondContact O-N 2.66Å; L425-F429 WeakPolarHBondContact O-CB 3.49Å; L425-F429 PolarHBondContact O-N 2.99Å
426	A	95.4	Very high	91.3	Very high	52 Å²	52	52.6 Å²	52.6	43%	0.43	28%	0.28	S	S	.	.	H	α-helix	trans	-62.1	-43.7	174.9	0	0	0	0	0	112.3	I422 T423 W424 F429 V430	I422-A426 WeakPolarHBondContact O-CB 3.29Å; I422-A426 PolarHBondContact O-N 3.5Å; T423-A426 PolarHBondContact O-N 3.1Å; W424-A426 VanDerWaalsContact C-N 3.29Å; W424-A426 PolarHBondContact O-N 3.13Å; A426-F429 PolarHBondContact O-N 2.97Å; A426-V430 WeakPolarHBondContact O-CG2 3.46Å; A426-V430 PolarHBondContact O-N 3.47Å
427	I	93.7	Very high	91.3	Very high	65 Å²	65	60.6 Å²	60.6	33%	0.333	31%	0.31	S	S	.	.	H	α-helix	trans	-60	-49.6	175.4	-69.4	164.9	0	0	0	110.3	I292 T423 W424 F429 V430 L431	I292-I427 HydrophobicContact CD1-CG2 4.13Å; T423-I427 HydrophobicContact CG2-CD1 4.12Å; T423-I427 VanDerWaalsContact O-CG1 3.3Å; T423-I427 WeakPolarHBondContact O-CG1 3.31Å; T423-I427 PolarHBondContact O-N 2.94Å; W424-I427 PolarHBondContact O-N 3.31Å; I427-F429 VanDerWaalsContact C-N 3.29Å; I427-F429 PolarHBondContact O-N 2.98Å; I427-V430 PolarHBondContact O-N 3.08Å; I427-L431 HydrophobicContact CG2-CD1 4.14Å; I427-L431 HydrophobicContact CG2-CG 4.47Å; I427-L431 WeakPolarHBondContact O-CG 3.47Å; I427-L431 PolarHBondContact O-N 3.21Å
428	I	94.3	Very high	91.2	Very high	1 Å²	1	62.6 Å²	62.6	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-60.7	-40.6	178.9	-63	-62.1	0	0	0	110.9	L341 V342 I405 W424 L425 L431 L432	L341-I428 HydrophobicContact CB-CD1 3.89Å; V342-I428 HydrophobicContact CG2-CG2 4.03Å; I405-I428 HydrophobicContact CD1-CB 4.41Å; I405-I428 HydrophobicContact CD1-CG2 3.74Å; I405-I428 HydrophobicContact CG1-CG2 4.06Å; W424-I428 HydrophobicContact CD2-CG1 4.44Å; W424-I428 HydrophobicContact CH2-CD1 4.48Å; W424-I428 HydrophobicContact CZ2-CD1 3.97Å; W424-I428 HydrophobicContact CZ2-CG1 4.29Å; W424-I428 WeakPolarHBondContact O-CG1 3.5Å; W424-I428 PolarHBondContact O-N 3.49Å; L425-I428 PolarHBondContact O-N 2.66Å; I428-L431 HydrophobicContact CD1-CD1 4.48Å; I428-L431 PolarHBondContact O-N 2.99Å; I428-L432 HydrophobicContact CG2-CD1 4.09Å; I428-L432 HydrophobicContact CG2-CG 4.44Å; I428-L432 VanDerWaalsContact O-CG 3.32Å; I428-L432 WeakPolarHBondContact O-CG 3.43Å; I428-L432 PolarHBondContact O-N 3.18Å
429	F	96.3	Very high	91.1	Very high	52 Å²	52	61.2 Å²	61.2	23%	0.228	30%	0.296	C	S	.	.	H	α-helix	trans	-61.9	-45.5	177.2	-168.5	-104.7	0	0	0	112.2	M402 I405 L406 L425 A426 I427 L431 L432 I433	M402-F429 HydrophobicContact CB-CE2 3.96Å; M402-F429 HydrophobicContact CE-CE2 3.96Å; M402-F429 HydrophobicContact CE-CZ 3.84Å; M402-F429 HydrophobicContact CG-CE2 4.21Å; I405-F429 HydrophobicContact CB-CD2 4.4Å; I405-F429 HydrophobicContact CG2-CB 4.01Å; I405-F429 HydrophobicContact CG2-CD2 4.01Å; I405-F429 HydrophobicContact CG2-CG 4.47Å; L406-F429 HydrophobicContact CD1-CE2 4.02Å; L406-F429 HydrophobicContact CD1-CZ 4.31Å; L406-F429 HydrophobicContact CD2-CE2 4.04Å; L406-F429 HydrophobicContact CD2-CZ 4.22Å; L406-F429 HydrophobicContact CG-CD2 4.46Å; L406-F429 HydrophobicContact CG-CE2 3.78Å; L406-F429 HydrophobicContact CG-CZ 4.32Å; L425-F429 WeakPolarHBondContact O-CB 3.49Å; L425-F429 PolarHBondContact O-N 2.99Å; A426-F429 PolarHBondContact O-N 2.97Å; I427-F429 VanDerWaalsContact C-N 3.29Å; I427-F429 PolarHBondContact O-N 2.98Å; F429-L431 VanDerWaalsContact C-N 3.34Å; F429-L431 PolarHBondContact O-N 2.62Å; F429-L432 WeakPolarHBondContact O-CB 3.38Å; F429-L432 PolarHBondContact O-N 2.81Å; F429-I433 HydrophobicContact CD1-CD1 3.85Å; F429-I433 HydrophobicContact CD1-CG1 4.5Å; F429-I433 HydrophobicContact CE1-CD1 3.67Å; F429-I433 HydrophobicContact CE1-CG1 4.34Å; F429-I433 HydrophobicContact CZ-CD1 4.49Å; F429-I433 WeakPolarHBondContact O-CG1 3.28Å; F429-I433 PolarHBondContact O-N 3.32Å
430	V	94.6	Very high	90.8	Very high	81 Å²	81	58 Å²	58	49%	0.491	28%	0.282	S	S	.	.	H	α-helix	trans	-61.3	-42.8	175.5	172.4	0	0	0	0	111.3	A426 I427 L432 I433 V434	A426-V430 WeakPolarHBondContact O-CG2 3.46Å; A426-V430 PolarHBondContact O-N 3.47Å; I427-V430 PolarHBondContact O-N 3.08Å; V430-L432 VanDerWaalsContact C-N 3.31Å; V430-L432 PolarHBondContact O-N 3.28Å; V430-I433 WeakPolarHBondContact O-CB 3.27Å; V430-I433 PolarHBondContact O-N 2.76Å; V430-V434 WeakPolarHBondContact O-CG2 3.48Å; V430-V434 PolarHBondContact O-N 3.01Å
431	L	92.4	Very high	90.6	Very high	5 Å²	5	55 Å²	55	3%	0.026	26%	0.264	C	S	.	.	H	α-helix	trans	-62.3	-38.2	176.1	-67.6	176.6	0	0	0	112.2	I292 S295 F296 L338 L341 I427 I428 F429 V434 A435	I292-L431 HydrophobicContact CG1-CD1 4.22Å; S295-L431 WeakPolarHBondContact OG-CD2 3.36Å; F296-L431 HydrophobicContact CE2-CD2 3.58Å; F296-L431 HydrophobicContact CZ-CD2 3.54Å; L338-L431 HydrophobicContact CD1-CB 3.68Å; L338-L431 HydrophobicContact CD1-CD1 4.22Å; L341-L431 HydrophobicContact CD1-CD1 4Å; I427-L431 HydrophobicContact CG2-CD1 4.14Å; I427-L431 HydrophobicContact CG2-CG 4.47Å; I427-L431 WeakPolarHBondContact O-CG 3.47Å; I427-L431 PolarHBondContact O-N 3.21Å; I428-L431 HydrophobicContact CD1-CD1 4.48Å; I428-L431 PolarHBondContact O-N 2.99Å; F429-L431 VanDerWaalsContact C-N 3.34Å; F429-L431 PolarHBondContact O-N 2.62Å; L431-V434 PolarHBondContact O-N 3.38Å; L431-A435 WeakPolarHBondContact O-CB 3.43Å; L431-A435 PolarHBondContact O-N 3.49Å
432	L	94.1	Very high	90.3	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-65.5	-37.5	174.5	-72.3	169.3	0	0	0	112	L338 V342 I390 I398 A401 M402 I405 I428 F429 V430 A435 F436	L338-L432 HydrophobicContact CD2-CD2 4.19Å; V342-L432 HydrophobicContact CG2-CD2 4.34Å; I390-L432 HydrophobicContact CD1-CD2 4.11Å; I398-L432 HydrophobicContact CG2-CB 4.36Å; I398-L432 HydrophobicContact CG2-CD2 4.26Å; I398-L432 WeakPolarHBondContact CG2-O 3.47Å; A401-L432 HydrophobicContact CB-CD1 3.96Å; A401-L432 HydrophobicContact CB-CD2 3.87Å; M402-L432 HydrophobicContact CG-CB 3.75Å; M402-L432 HydrophobicContact CG-CD1 4.18Å; I405-L432 HydrophobicContact CG1-CD1 3.86Å; I428-L432 HydrophobicContact CG2-CD1 4.09Å; I428-L432 HydrophobicContact CG2-CG 4.44Å; I428-L432 VanDerWaalsContact O-CG 3.32Å; I428-L432 WeakPolarHBondContact O-CG 3.43Å; I428-L432 PolarHBondContact O-N 3.18Å; F429-L432 WeakPolarHBondContact O-CB 3.38Å; F429-L432 PolarHBondContact O-N 2.81Å; V430-L432 VanDerWaalsContact C-N 3.31Å; V430-L432 PolarHBondContact O-N 3.28Å; L432-A435 PolarHBondContact O-N 3.29Å; L432-F436 WeakPolarHBondContact O-CB 3.44Å; L432-F436 PolarHBondContact O-N 3Å
433	I	93.4	Very high	89.7	Confident	55 Å²	55	52 Å²	52	28%	0.282	25%	0.248	S	C	.	.	H	α-helix	trans	-62.2	-45.2	173.5	-67.3	168.8	0	0	0	110.8	M402 F429 V430 A435 F436 R437	M402-I433 HydrophobicContact CE-CG1 3.9Å; F429-I433 HydrophobicContact CD1-CD1 3.85Å; F429-I433 HydrophobicContact CD1-CG1 4.5Å; F429-I433 HydrophobicContact CE1-CD1 3.67Å; F429-I433 HydrophobicContact CE1-CG1 4.34Å; F429-I433 HydrophobicContact CZ-CD1 4.49Å; F429-I433 WeakPolarHBondContact O-CG1 3.28Å; F429-I433 PolarHBondContact O-N 3.32Å; V430-I433 WeakPolarHBondContact O-CB 3.27Å; V430-I433 PolarHBondContact O-N 2.76Å; I433-A435 VanDerWaalsContact C-N 3.31Å; I433-A435 PolarHBondContact O-N 3.11Å; I433-F436 WeakPolarHBondContact O-CB 3.32Å; I433-F436 PolarHBondContact O-N 2.79Å; I433-R437 PolarHBondContact O-N 2.86Å; I433-R437 VanDerWaalsContact O-N 3.14Å
434	V	90.3	Very high	89	Confident	36 Å²	36	50.1 Å²	50.1	22%	0.218	23%	0.231	C	C	.	.	H	α-helix	trans	-62.1	-42.2	176.6	175.6	0	0	0	0	110.6	F296 V430 L431 R437 R438	F296-V434 HydrophobicContact CE1-CG2 4.24Å; V430-V434 WeakPolarHBondContact O-CG2 3.48Å; V430-V434 PolarHBondContact O-N 3.01Å; L431-V434 PolarHBondContact O-N 3.38Å; V434-R437 PolarHBondContact O-N 3.47Å; V434-R438 WeakPolarHBondContact O-CG 3.46Å; V434-R438 PolarHBondContact O-N 2.64Å
435	A	88.2	Confident	88	Confident	20 Å²	20	49 Å²	49	17%	0.165	23%	0.23	C	C	.	.	H	α-helix	trans	-64.4	-38.6	175.8	0	0	0	0	0	112.3	L338 I398 L431 L432 I433 R437 R438 A439	L338-A435 HydrophobicContact CD2-CB 3.4Å; L338-A435 VanDerWaalsContact CD2-CB 3.4Å; I398-A435 HydrophobicContact CD1-CB 4.07Å; L431-A435 WeakPolarHBondContact O-CB 3.43Å; L431-A435 PolarHBondContact O-N 3.49Å; L432-A435 PolarHBondContact O-N 3.29Å; I433-A435 VanDerWaalsContact C-N 3.31Å; I433-A435 PolarHBondContact O-N 3.11Å; A435-R437 VanDerWaalsContact C-N 3.34Å; A435-R437 PolarHBondContact O-N 3.39Å; A435-R438 CarbonylContact O-C 3.58Å; A435-R438 PolarHBondContact O-N 3.02Å; A435-R438 VanDerWaalsContact O-N 3.13Å; A435-A439 PolarHBondContact O-N 3.48Å
436	F	89.9	Confident	86.7	Confident	70 Å²	70	53 Å²	53	31%	0.307	25%	0.254	S	S	.	.	H	α-helix	trans	-60.6	-43.4	177.5	-175	-100.8	0	0	0	111.6	R395 I398 I399 L432 I433 R438 A439	R395-F436 HydrophobicContact CB-CD2 4.49Å; R395-F436 HydrophobicContact CB-CE2 4Å; R395-F436 HydrophobicContact CG-CD2 4.42Å; R395-F436 HydrophobicContact CG-CE2 4.09Å; I398-F436 HydrophobicContact CB-CD2 4.42Å; I398-F436 HydrophobicContact CG2-CB 3.82Å; I398-F436 HydrophobicContact CG2-CD2 4.13Å; I398-F436 HydrophobicContact CG2-CG 4.48Å; I399-F436 HydrophobicContact CD1-CE2 3.7Å; I399-F436 HydrophobicContact CD1-CZ 4.2Å; I399-F436 HydrophobicContact CG1-CD2 4.11Å; I399-F436 HydrophobicContact CG1-CE2 3.63Å; I399-F436 HydrophobicContact CG1-CZ 4.48Å; L432-F436 WeakPolarHBondContact O-CB 3.44Å; L432-F436 PolarHBondContact O-N 3Å; I433-F436 WeakPolarHBondContact O-CB 3.32Å; I433-F436 PolarHBondContact O-N 2.79Å; F436-R438 VanDerWaalsContact C-N 3.26Å; F436-R438 PolarHBondContact O-N 3.37Å; F436-A439 VanDerWaalsContact O-CB 3.26Å; F436-A439 WeakPolarHBondContact O-CB 3.37Å; F436-A439 PolarHBondContact O-N 3.19Å
437	R	87.9	Confident	85.7	Confident	204 Å²	204	52.1 Å²	52.1	77%	0.77	24%	0.24	S	C	*	.	H	α-helix	trans	-65	-29.7	176.1	-67.2	-179.2	-176.8	-175.9	1.3	113	I433 V434 A435	I433-R437 PolarHBondContact O-N 2.86Å; I433-R437 VanDerWaalsContact O-N 3.14Å; V434-R437 PolarHBondContact O-N 3.47Å; A435-R437 VanDerWaalsContact C-N 3.34Å; A435-R437 PolarHBondContact O-N 3.39Å
438	R	84.2	Confident	84.7	Confident	97 Å²	97	55.1 Å²	55.1	37%	0.366	25%	0.254	S	S	.	.	H	α-helix	trans	-92.1	-2	178.5	-65.7	179.5	-178	176.7	1.6	113.5	S295 V434 A435 F436 R440	S295-R438 PolarHBondContact O-NH1 3.14Å; V434-R438 WeakPolarHBondContact O-CG 3.46Å; V434-R438 PolarHBondContact O-N 2.64Å; A435-R438 CarbonylContact O-C 3.58Å; A435-R438 PolarHBondContact O-N 3.02Å; A435-R438 VanDerWaalsContact O-N 3.13Å; F436-R438 VanDerWaalsContact C-N 3.26Å; F436-R438 PolarHBondContact O-N 3.37Å; R438-R440 PolarHBondContact O-N 3.45Å
439	A	84.2	Confident	83.9	Confident	6 Å²	6	62.9 Å²	62.9	5%	0.05	28%	0.283	C	S	.	.			trans	-67	121.6	-173.5	0	0	0	0	0	111.3	Q393 R395 I398 A435 F436	Q393-A439 WeakPolarHBondContact O-CB 3.5Å; R395-A439 HydrophobicContact CB-CB 4.4Å; R395-A439 HydrophobicContact CG-CB 3.37Å; I398-A439 HydrophobicContact CD1-CB 3.91Å; A435-A439 PolarHBondContact O-N 3.48Å; F436-A439 VanDerWaalsContact O-CB 3.26Å; F436-A439 WeakPolarHBondContact O-CB 3.37Å; F436-A439 PolarHBondContact O-N 3.19Å
440	R	81.6	Confident	83.1	Confident	145 Å²	145	61.9 Å²	61.9	55%	0.547	28%	0.28	S	S	.	.			trans	-89.5	-20.2	-177.9	-63.4	-173.8	-178.8	-162.8	-0.8	113.9	Q393 R438 Y594	Q393-R440 PolarHBondContact O-N 3.09Å; R438-R440 PolarHBondContact O-N 3.45Å; R440-Y594 WeakPolarHBondContact O-CD2 3.27Å
441	R	82.7	Confident	82.4	Confident	55 Å²	55	61.4 Å²	61.4	21%	0.208	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-115.6	137.9	-176.9	-56.7	-174.8	-173.4	-167.1	1.2	109.8	Q393 S394 R395 E593	Q393-R441 PolarHBondContact O-N 3.26Å; S394-R441 CarbonylContact C-O 3.33Å; S394-R441 WeakPolarHBondContact CA-O 3.47Å; R395-R441 PolarHBondContact N-O 3.15Å; R441-E593 HydrophobicContact CG-CG 4.01Å; R441-E593 IonicContact CZ-OE1 3.23Å; R441-E593 IonicContact CZ-OE2 3.59Å; R441-E593 VanDerWaalsContact NE-CG 3.35Å; R441-E593 IonicContact NE-OE1 3.24Å; R441-E593 PolarHBondContact NE-OE1 2.81Å; R441-E593 IonicContact NH2-OE1 3.43Å; R441-E593 PolarHBondContact NH2-OE1 3.18Å; R441-E593 IonicContact NH2-OE2 2.85Å; R441-E593 PolarHBondContact NH2-OE2 3.41Å; R441-E593 VanDerWaalsContact NH2-OE2 3.16Å
442	L	82.5	Confident	82	Confident	2 Å²	2	65.1 Å²	65.1	1%	0.01	30%	0.297	C	S	.	.	S	Bend	trans	-72.3	-56.3	174.5	-175.4	70.4	0	0	0	110.6	R396 F510 F514 Y594 L595	R396-L442 PolarHBondContact N-O 3.32Å; R396-L442 VanDerWaalsContact N-O 3.09Å; L442-F510 HydrophobicContact CD1-CD1 4.4Å; L442-F510 HydrophobicContact CD1-CE1 3.98Å; L442-F510 HydrophobicContact CG-CD1 4.37Å; L442-F510 HydrophobicContact CG-CE1 4.25Å; L442-F514 HydrophobicContact CD1-CD1 3.64Å; L442-F514 HydrophobicContact CD1-CD2 3.8Å; L442-F514 HydrophobicContact CD1-CE1 3.49Å; L442-F514 VanDerWaalsContact CD1-CE1 3.49Å; L442-F514 HydrophobicContact CD1-CE2 3.67Å; L442-F514 HydrophobicContact CD1-CG 3.8Å; L442-F514 HydrophobicContact CD1-CZ 3.52Å; L442-F514 HydrophobicContact CD2-CB 3.51Å; L442-F514 HydrophobicContact CD2-CD1 3.68Å; L442-F514 HydrophobicContact CD2-CD2 4.03Å; L442-F514 HydrophobicContact CD2-CE1 4.41Å; L442-F514 HydrophobicContact CD2-CG 3.46Å; L442-F514 VanDerWaalsContact CD2-CG 3.46Å; L442-F514 HydrophobicContact CG-CD1 4.29Å; L442-F514 HydrophobicContact CG-CD2 4.32Å; L442-F514 HydrophobicContact CG-CG 4.16Å; L442-Y594 WeakPolarHBondContact CA-O 3.41Å; L442-Y594 HydrophobicContact CB-CD1 4.44Å; L442-Y594 HydrophobicContact CB-CE1 4.16Å; L442-Y594 WeakPolarHBondContact CB-O 3.21Å; L442-Y594 PolarHBondContact N-O 3Å; L442-L595 HydrophobicContact CD2-CD2 4.16Å
443	K	79.8	Confident	81.6	Confident	18 Å²	18	67.7 Å²	67.7	8%	0.078	32%	0.318	C	S	.	.			trans	-134.3	153.2	179.2	61.4	-178.3	173.2	-169.8	0	112.1	D511 L595 G596 Y597	K443-D511 IonicContact NZ-OD1 2.8Å; K443-L595 WeakPolarHBondContact CD-O 3.49Å; K443-L595 WeakPolarHBondContact CE-O 3.44Å; K443-L595 WeakPolarHBondContact CG-O 3.14Å; K443-G596 WeakPolarHBondContact O-CA 3.46Å; K443-Y597 PolarHBondContact NZ-OH 3.11Å
444	R	75.9	Confident	81.2	Confident	42 Å²	42	68 Å²	68	16%	0.158	32%	0.319	C	S	.	.			trans	-82.5	138.3	170.6	175.3	-175.8	166	-177.6	-2.1	109.2	S394 R396 V446 N450	S394-R444 PolarHBondContact OG-N 3.05Å; R396-R444 PolarHBondContact NH2-O 2.95Å; R444-V446 WeakPolarHBondContact O-CG2 3.46Å; R444-V446 PolarHBondContact O-N 3.43Å; R444-V446 VanDerWaalsContact O-N 3.14Å; R444-N450 PolarHBondContact NH2-ND2 3.1Å
445	P	71.2	Confident	81	Confident	23 Å²	23	70.9 Å²	70.9	15%	0.149	33%	0.332	C	S	.	.			trans	-59.1	119.3	169.7	23.4	-32.8	0	0	0	109.7	R447 G596	P445-R447 PolarHBondContact O-N 3.27Å; P445-G596 WeakPolarHBondContact CA-O 3.42Å; P445-G596 WeakPolarHBondContact CB-O 3.3Å
446	V	68.9	Low	81.1	Confident	85 Å²	85	75 Å²	75	52%	0.515	35%	0.351	S	S	.	.			trans	-91.7	103.8	178.1	-172.3	0	0	0	0	107.2	R444 I451	R444-V446 WeakPolarHBondContact O-CG2 3.46Å; R444-V446 PolarHBondContact O-N 3.43Å; R444-V446 VanDerWaalsContact O-N 3.14Å; V446-I451 HydrophobicContact CG1-CD1 3.37Å; V446-I451 HydrophobicContact CG1-CG1 3.31Å
447	R	73.7	Confident	81	Confident	33 Å²	33	75.8 Å²	75.8	13%	0.125	36%	0.355	C	S	.	.			trans	-95.6	146.5	176	-60.3	-173.3	-173.8	145.8	5.3	109.3	P445 R449 N450 I451 D598 D823 N824	P445-R447 PolarHBondContact O-N 3.27Å; R447-R449 VanDerWaalsContact C-N 3.29Å; R447-R449 PolarHBondContact O-N 3.46Å; R447-N450 WeakPolarHBondContact O-CA 3.37Å; R447-N450 WeakPolarHBondContact O-CB 3.48Å; R447-N450 PolarHBondContact O-N 2.98Å; R447-I451 PolarHBondContact O-N 3.19Å; R447-D598 IonicContact NH2-OD1 2.61Å; R447-D823 PolarHBondContact NH1-O 2.96Å; R447-N824 PolarHBondContact NE-OD1 2.67Å; R447-N824 PolarHBondContact NH2-OD1 2.98Å
448	M	72	Confident	81	Confident	128 Å²	128	66.9 Å²	66.9	63%	0.631	32%	0.324	S	S	*	.	H	α-helix	trans	-56.4	-43.8	-178.4	-70.1	-57.8	177.4	0	0	112.1	N450 I451 V452	M448-N450 PolarHBondContact O-N 3.37Å; M448-I451 PolarHBondContact O-N 2.83Å; M448-I451 VanDerWaalsContact O-N 3.08Å; M448-I451 HydrophobicContact SD-CD1 3.88Å; M448-V452 WeakPolarHBondContact O-CG2 3.49Å; M448-V452 PolarHBondContact O-N 3.27Å
449	R	77.4	Confident	81.2	Confident	163 Å²	163	65.6 Å²	65.6	62%	0.615	32%	0.324	S	S	*	.	H	α-helix	trans	-52.8	-41.2	173.1	-176.2	-179.3	68.3	-164.8	-0.6	113	R447 A453	R447-R449 VanDerWaalsContact C-N 3.29Å; R447-R449 PolarHBondContact O-N 3.46Å; R449-A453 VanDerWaalsContact O-CB 3.23Å; R449-A453 WeakPolarHBondContact O-CB 3.49Å; R449-A453 PolarHBondContact O-N 3.24Å
450	N	79.7	Confident	81.5	Confident	31 Å²	31	71 Å²	71	17%	0.166	35%	0.346	C	S	.	.	H	α-helix	trans	-73.4	-37.2	-179.3	-63.3	-14.7	0	0	0	111.2	R444 R447 M448 A453 M454	R444-N450 PolarHBondContact NH2-ND2 3.1Å; R447-N450 WeakPolarHBondContact O-CA 3.37Å; R447-N450 WeakPolarHBondContact O-CB 3.48Å; R447-N450 PolarHBondContact O-N 2.98Å; M448-N450 PolarHBondContact O-N 3.37Å; N450-A453 PolarHBondContact O-N 3.39Å; N450-M454 VanDerWaalsContact O-CB 3.31Å; N450-M454 WeakPolarHBondContact O-CB 3.46Å; N450-M454 WeakPolarHBondContact O-CG 3.34Å; N450-M454 PolarHBondContact O-N 3.4Å
451	I	80.8	Confident	81.8	Confident	72 Å²	72	65 Å²	65	37%	0.369	33%	0.325	S	S	.	.	H	α-helix	trans	-62.2	-50.6	175	-64.5	163.1	0	0	0	109.9	V446 R447 M448 A453 M454 L455	V446-I451 HydrophobicContact CG1-CD1 3.37Å; V446-I451 HydrophobicContact CG1-CG1 3.31Å; R447-I451 PolarHBondContact O-N 3.19Å; M448-I451 PolarHBondContact O-N 2.83Å; M448-I451 VanDerWaalsContact O-N 3.08Å; M448-I451 HydrophobicContact SD-CD1 3.88Å; I451-A453 VanDerWaalsContact C-N 3.33Å; I451-A453 PolarHBondContact O-N 3.09Å; I451-M454 PolarHBondContact O-N 3.09Å; I451-M454 VanDerWaalsContact O-N 3.15Å; I451-L455 WeakPolarHBondContact O-CB 3.48Å; I451-L455 PolarHBondContact O-N 2.84Å
452	V	83.6	Confident	81.9	Confident	83 Å²	83	62.6 Å²	62.6	50%	0.503	32%	0.316	S	S	.	.	H	α-helix	trans	-60.1	-44.9	179.1	175.5	0	0	0	0	110.5	M448 M454 L455 L456	M448-V452 WeakPolarHBondContact O-CG2 3.49Å; M448-V452 PolarHBondContact O-N 3.27Å; V452-M454 PolarHBondContact O-N 2.69Å; V452-L455 PolarHBondContact O-N 3.31Å; V452-L456 HydrophobicContact CG1-CD1 4.01Å; V452-L456 HydrophobicContact CG1-CG 4.35Å; V452-L456 WeakPolarHBondContact O-CB 3.47Å; V452-L456 WeakPolarHBondContact O-CG 3.48Å; V452-L456 PolarHBondContact O-N 3.28Å
453	A	85.3	Confident	82.1	Confident	54 Å²	54	69.2 Å²	69.2	45%	0.446	34%	0.342	S	S	.	.	H	α-helix	trans	-61.7	-41.3	175.8	0	0	0	0	0	112.4	R449 N450 I451 F457	R449-A453 VanDerWaalsContact O-CB 3.23Å; R449-A453 WeakPolarHBondContact O-CB 3.49Å; R449-A453 PolarHBondContact O-N 3.24Å; N450-A453 PolarHBondContact O-N 3.39Å; I451-A453 VanDerWaalsContact C-N 3.33Å; I451-A453 PolarHBondContact O-N 3.09Å; A453-F457 WeakPolarHBondContact O-CB 3.47Å; A453-F457 PolarHBondContact O-N 2.91Å
454	M	86.1	Confident	82.4	Confident	60 Å²	60	71.4 Å²	71.4	30%	0.296	36%	0.356	S	S	.	.	H	α-helix	trans	-65.6	-39.1	176.5	-73	169.1	88.7	0	0	111.4	L385 N450 I451 V452 S458	L385-M454 HydrophobicContact CB-CE 3.77Å; L385-M454 HydrophobicContact CD2-CB 4.06Å; L385-M454 HydrophobicContact CD2-CE 4.35Å; L385-M454 HydrophobicContact CD2-CG 4.19Å; N450-M454 VanDerWaalsContact O-CB 3.31Å; N450-M454 WeakPolarHBondContact O-CB 3.46Å; N450-M454 WeakPolarHBondContact O-CG 3.34Å; N450-M454 PolarHBondContact O-N 3.4Å; I451-M454 PolarHBondContact O-N 3.09Å; I451-M454 VanDerWaalsContact O-N 3.15Å; V452-M454 PolarHBondContact O-N 2.69Å; M454-S458 WeakPolarHBondContact O-CB 3.45Å; M454-S458 PolarHBondContact O-N 3.01Å; M454-S458 PolarHBondContact O-OG 3.48Å
455	L	86.3	Confident	82.7	Confident	97 Å²	97	69.5 Å²	69.5	51%	0.508	35%	0.349	S	S	.	.	H	α-helix	trans	-65.9	-51	176.8	-173.4	153.5	0	0	0	111.1	I451 V452 F457 S458 L459	I451-L455 WeakPolarHBondContact O-CB 3.48Å; I451-L455 PolarHBondContact O-N 2.84Å; V452-L455 PolarHBondContact O-N 3.31Å; L455-F457 VanDerWaalsContact C-N 3.32Å; L455-F457 PolarHBondContact O-N 3.38Å; L455-S458 PolarHBondContact O-N 3.46Å; L455-L459 HydrophobicContact CD2-CD1 3.55Å; L455-L459 HydrophobicContact CD2-CG 4.2Å; L455-L459 WeakPolarHBondContact O-CG 3.46Å; L455-L459 PolarHBondContact O-N 3.42Å
456	L	89.4	Confident	83.2	Confident	107 Å²	107	71.9 Å²	71.9	56%	0.56	36%	0.359	S	S	*	.	H	α-helix	trans	-60.6	-42.2	177.3	-70.1	176.2	0	0	0	111.7	V452 L459 F460	V452-L456 HydrophobicContact CG1-CD1 4.01Å; V452-L456 HydrophobicContact CG1-CG 4.35Å; V452-L456 WeakPolarHBondContact O-CB 3.47Å; V452-L456 WeakPolarHBondContact O-CG 3.48Å; V452-L456 PolarHBondContact O-N 3.28Å; L456-L459 PolarHBondContact O-N 3.22Å; L456-F460 WeakPolarHBondContact O-CB 3.34Å; L456-F460 PolarHBondContact O-N 3.37Å
457	F	88.9	Confident	83.9	Confident	87 Å²	87	72.1 Å²	72.1	38%	0.382	36%	0.356	S	S	.	.	H	α-helix	trans	-64.7	-40.8	176	-174.4	-107.5	0	0	0	111.8	L384 L385 A453 L455 F460 I461	L384-F457 HydrophobicContact CD2-CE1 3.61Å; L384-F457 HydrophobicContact CD2-CZ 4.12Å; L384-F457 HydrophobicContact CG-CE1 4.05Å; L385-F457 HydrophobicContact CD2-CD1 4.01Å; A453-F457 WeakPolarHBondContact O-CB 3.47Å; A453-F457 PolarHBondContact O-N 2.91Å; L455-F457 VanDerWaalsContact C-N 3.32Å; L455-F457 PolarHBondContact O-N 3.38Å; F457-F460 PolarHBondContact O-N 3.34Å; F457-I461 HydrophobicContact CD1-CG1 4.16Å; F457-I461 HydrophobicContact CD2-CG1 4.4Å; F457-I461 HydrophobicContact CE1-CD1 4.4Å; F457-I461 HydrophobicContact CE1-CG1 3.82Å; F457-I461 HydrophobicContact CE2-CD1 4.06Å; F457-I461 HydrophobicContact CE2-CG1 4.06Å; F457-I461 HydrophobicContact CG-CG1 4.45Å; F457-I461 HydrophobicContact CZ-CD1 3.85Å; F457-I461 HydrophobicContact CZ-CG1 3.76Å; F457-I461 VanDerWaalsContact O-CG1 3.29Å; F457-I461 WeakPolarHBondContact O-CG1 3.46Å; F457-I461 PolarHBondContact O-N 3.46Å
458	S	87.7	Confident	84.3	Confident	16 Å²	16	74.6 Å²	74.6	11%	0.112	37%	0.368	C	S	.	.	H	α-helix	trans	-63.6	-44.8	176.4	-56.3	0	0	0	0	111.8	L385 M454 L455 F460 I461 L462	L385-S458 WeakPolarHBondContact CD1-OG 3.39Å; M454-S458 WeakPolarHBondContact O-CB 3.45Å; M454-S458 PolarHBondContact O-N 3.01Å; M454-S458 PolarHBondContact O-OG 3.48Å; L455-S458 PolarHBondContact O-N 3.46Å; S458-F460 VanDerWaalsContact C-N 3.34Å; S458-F460 PolarHBondContact O-N 3.32Å; S458-I461 PolarHBondContact O-N 3.06Å; S458-L462 WeakPolarHBondContact O-CB 3.41Å; S458-L462 WeakPolarHBondContact O-CG 3.42Å; S458-L462 PolarHBondContact O-N 3.33Å
459	L	87.3	Confident	84.6	Confident	70 Å²	70	68.5 Å²	68.5	37%	0.366	34%	0.338	S	S	.	.	H	α-helix	trans	-60.8	-43.6	175.4	-71.2	176.4	0	0	0	111.3	L455 L456 L462 Y463 F492 I496	L455-L459 HydrophobicContact CD2-CD1 3.55Å; L455-L459 HydrophobicContact CD2-CG 4.2Å; L455-L459 WeakPolarHBondContact O-CG 3.46Å; L455-L459 PolarHBondContact O-N 3.42Å; L456-L459 PolarHBondContact O-N 3.22Å; L459-L462 PolarHBondContact O-N 3.36Å; L459-Y463 VanDerWaalsContact O-CB 3.28Å; L459-Y463 WeakPolarHBondContact O-CB 3.2Å; L459-Y463 PolarHBondContact O-N 2.85Å; L459-F492 HydrophobicContact CD2-CZ 3.87Å; L459-I496 HydrophobicContact CD2-CD1 4.44Å
460	F	89.9	Confident	84.6	Confident	120 Å²	120	62 Å²	62	53%	0.526	32%	0.319	S	S	.	.	H	α-helix	trans	-61.4	-48.3	176	175.5	-101.3	0	0	0	112	L456 F457 S458 L462 Y463 V464	L456-F460 WeakPolarHBondContact O-CB 3.34Å; L456-F460 PolarHBondContact O-N 3.37Å; F457-F460 PolarHBondContact O-N 3.34Å; S458-F460 VanDerWaalsContact C-N 3.34Å; S458-F460 PolarHBondContact O-N 3.32Å; F460-L462 PolarHBondContact O-N 3.36Å; F460-Y463 WeakPolarHBondContact O-CB 3.47Å; F460-Y463 PolarHBondContact O-N 3.29Å; F460-V464 HydrophobicContact CD1-CG2 4.32Å; F460-V464 HydrophobicContact CD2-CG2 4.38Å; F460-V464 HydrophobicContact CE1-CG2 3.88Å; F460-V464 HydrophobicContact CE2-CG2 3.94Å; F460-V464 HydrophobicContact CZ-CG2 3.67Å; F460-V464 WeakPolarHBondContact O-CG2 3.32Å; F460-V464 PolarHBondContact O-N 3.25Å
461	I	87.9	Confident	84.5	Confident	18 Å²	18	62.4 Å²	62.4	9%	0.092	33%	0.331	C	S	.	.	H	α-helix	trans	-64.9	-40.8	179.7	-66.3	-60.4	0	0	0	111.4	F350 L381 L384 F457 S458 Y463 V464 N465	F350-I461 HydrophobicContact CD1-CG2 4.37Å; F350-I461 HydrophobicContact CE1-CG2 3.57Å; F350-I461 HydrophobicContact CE2-CG2 3.88Å; F350-I461 HydrophobicContact CZ-CG2 3.29Å; L381-I461 HydrophobicContact CD2-CB 3.91Å; L381-I461 HydrophobicContact CD2-CG2 3.49Å; L381-I461 VanDerWaalsContact CD2-CG2 3.49Å; L384-I461 HydrophobicContact CD2-CG1 4.28Å; F457-I461 HydrophobicContact CD1-CG1 4.16Å; F457-I461 HydrophobicContact CD2-CG1 4.4Å; F457-I461 HydrophobicContact CE1-CD1 4.4Å; F457-I461 HydrophobicContact CE1-CG1 3.82Å; F457-I461 HydrophobicContact CE2-CD1 4.06Å; F457-I461 HydrophobicContact CE2-CG1 4.06Å; F457-I461 HydrophobicContact CG-CG1 4.45Å; F457-I461 HydrophobicContact CZ-CD1 3.85Å; F457-I461 HydrophobicContact CZ-CG1 3.76Å; F457-I461 VanDerWaalsContact O-CG1 3.29Å; F457-I461 WeakPolarHBondContact O-CG1 3.46Å; F457-I461 PolarHBondContact O-N 3.46Å; S458-I461 PolarHBondContact O-N 3.06Å; I461-Y463 VanDerWaalsContact C-N 3.34Å; I461-Y463 PolarHBondContact O-N 3.27Å; I461-V464 PolarHBondContact O-N 2.71Å; I461-N465 WeakPolarHBondContact O-CB 3.36Å; I461-N465 PolarHBondContact O-N 3.33Å
462	L	86.1	Confident	84.3	Confident	6 Å²	6	60.5 Å²	60.5	3%	0.031	32%	0.322	C	S	.	.	H	α-helix	trans	-62.2	-40.8	173.5	-76.6	170.8	0	0	0	112.1	T377 L381 S458 L459 F460 N465 H466 F492 I496	T377-L462 HydrophobicContact CG2-CD2 3.67Å; L381-L462 HydrophobicContact CD1-CD1 4.13Å; L381-L462 HydrophobicContact CD1-CD2 3.49Å; L381-L462 VanDerWaalsContact CD1-CD2 3.49Å; L381-L462 HydrophobicContact CD1-CG 3.63Å; S458-L462 WeakPolarHBondContact O-CB 3.41Å; S458-L462 WeakPolarHBondContact O-CG 3.42Å; S458-L462 PolarHBondContact O-N 3.33Å; L459-L462 PolarHBondContact O-N 3.36Å; F460-L462 PolarHBondContact O-N 3.36Å; L462-N465 WeakPolarHBondContact O-CB 3.44Å; L462-N465 PolarHBondContact O-N 3.48Å; L462-H466 PolarHBondContact O-N 2.69Å; L462-F492 HydrophobicContact CB-CD2 4.04Å; L462-F492 HydrophobicContact CB-CE2 3.61Å; L462-F492 HydrophobicContact CD1-CD2 4.31Å; L462-F492 HydrophobicContact CD1-CE2 3.92Å; L462-F492 HydrophobicContact CD1-CZ 4.47Å; L462-F492 HydrophobicContact CG-CE2 4.35Å; L462-I496 HydrophobicContact CD1-CG1 4.31Å
463	Y	85.4	Confident	83.8	Confident	141 Å²	141	56.7 Å²	56.7	55%	0.553	30%	0.299	S	S	*	.	H	α-helix	trans	-65.3	-44.1	176.6	-178.5	-105.6	0	0	0	112.1	L459 F460 I461 N465 H466 I467	L459-Y463 VanDerWaalsContact O-CB 3.28Å; L459-Y463 WeakPolarHBondContact O-CB 3.2Å; L459-Y463 PolarHBondContact O-N 2.85Å; F460-Y463 WeakPolarHBondContact O-CB 3.47Å; F460-Y463 PolarHBondContact O-N 3.29Å; I461-Y463 VanDerWaalsContact C-N 3.34Å; I461-Y463 PolarHBondContact O-N 3.27Å; Y463-N465 VanDerWaalsContact C-N 3.31Å; Y463-N465 PolarHBondContact O-N 3.15Å; Y463-H466 WeakPolarHBondContact O-CB 3.49Å; Y463-H466 PolarHBondContact O-N 3.34Å; Y463-I467 HydrophobicContact CD1-CD1 3.85Å; Y463-I467 HydrophobicContact CE1-CD1 3.26Å; Y463-I467 HydrophobicContact CE1-CG1 4.25Å; Y463-I467 HydrophobicContact CE2-CD1 4.34Å; Y463-I467 PolarHBondContact O-N 3.42Å
464	V	86	Confident	83.3	Confident	63 Å²	63	62.2 Å²	62.2	38%	0.382	31%	0.31	S	S	.	.	H	α-helix	trans	-60.6	-41.6	173.8	171.1	0	0	0	0	110.9	F460 I461 H466 I467 F468	F460-V464 HydrophobicContact CD1-CG2 4.32Å; F460-V464 HydrophobicContact CD2-CG2 4.38Å; F460-V464 HydrophobicContact CE1-CG2 3.88Å; F460-V464 HydrophobicContact CE2-CG2 3.94Å; F460-V464 HydrophobicContact CZ-CG2 3.67Å; F460-V464 WeakPolarHBondContact O-CG2 3.32Å; F460-V464 PolarHBondContact O-N 3.25Å; I461-V464 PolarHBondContact O-N 2.71Å; V464-H466 VanDerWaalsContact C-N 3.33Å; V464-H466 PolarHBondContact O-N 3.43Å; V464-I467 PolarHBondContact O-N 2.98Å; V464-F468 VanDerWaalsContact O-CB 3.29Å; V464-F468 WeakPolarHBondContact O-CB 3.25Å; V464-F468 PolarHBondContact O-N 3.06Å
465	N	83.5	Confident	82.7	Confident	2 Å²	2	62.9 Å²	62.9	1%	0.011	33%	0.325	C	S	.	.	H	α-helix	trans	-59.1	-45.4	174.5	-161.7	-3.7	0	0	0	111.8	F350 N353 I461 L462 Y463 I467 F468 I469 Y491	F350-N465 HydrophobicContact CE1-CB 3.41Å; F350-N465 VanDerWaalsContact CE1-CB 3.41Å; F350-N465 VanDerWaalsContact CE1-CG 3.5Å; F350-N465 HydrophobicContact CZ-CB 3.42Å; F350-N465 VanDerWaalsContact CZ-CB 3.42Å; F350-N465 WeakPolarHBondContact CZ-ND2 3.29Å; N353-N465 PolarHBondContact ND2-ND2 3.39Å; I461-N465 WeakPolarHBondContact O-CB 3.36Å; I461-N465 PolarHBondContact O-N 3.33Å; L462-N465 WeakPolarHBondContact O-CB 3.44Å; L462-N465 PolarHBondContact O-N 3.48Å; Y463-N465 VanDerWaalsContact C-N 3.31Å; Y463-N465 PolarHBondContact O-N 3.15Å; N465-I467 PolarHBondContact O-N 3.41Å; N465-F468 PolarHBondContact O-N 3.15Å; N465-I469 WeakPolarHBondContact O-CG1 3.48Å; N465-I469 PolarHBondContact O-N 3.42Å; N465-I469 WeakPolarHBondContact OD1-CD1 3.47Å; N465-Y491 PolarHBondContact ND2-OH 2.96Å
466	H	81.4	Confident	81.9	Confident	74 Å²	74	62.8 Å²	62.8	34%	0.343	32%	0.324	S	S	.	.	H	α-helix	trans	-60.6	-46.5	179	-178	70	0	0	0	111.6	L462 Y463 V464 F468 A470	L462-H466 PolarHBondContact O-N 2.69Å; Y463-H466 WeakPolarHBondContact O-CB 3.49Å; Y463-H466 PolarHBondContact O-N 3.34Å; V464-H466 VanDerWaalsContact C-N 3.33Å; V464-H466 PolarHBondContact O-N 3.43Å; H466-F468 VanDerWaalsContact C-N 3.35Å; H466-A470 VanDerWaalsContact O-CB 3.24Å; H466-A470 WeakPolarHBondContact O-CB 3.24Å; H466-A470 PolarHBondContact O-N 2.81Å
467	I	82.7	Confident	80.9	Confident	89 Å²	89	64.2 Å²	64.2	46%	0.456	33%	0.332	S	S	.	.	H	α-helix	trans	-62	-43.8	174.7	-68.1	175.2	0	0	0	110.9	Y463 V464 N465 A470 G471	Y463-I467 HydrophobicContact CD1-CD1 3.85Å; Y463-I467 HydrophobicContact CE1-CD1 3.26Å; Y463-I467 HydrophobicContact CE1-CG1 4.25Å; Y463-I467 HydrophobicContact CE2-CD1 4.34Å; Y463-I467 PolarHBondContact O-N 3.42Å; V464-I467 PolarHBondContact O-N 2.98Å; N465-I467 PolarHBondContact O-N 3.41Å; I467-A470 PolarHBondContact O-N 3.43Å; I467-G471 PolarHBondContact O-N 3.25Å
468	F	82.4	Confident	79.9	Confident	86 Å²	86	60.9 Å²	60.9	38%	0.377	32%	0.318	S	S	.	.	H	α-helix	trans	-62.3	-47.5	-179.2	178.8	-103.3	0	0	0	111.6	V351 L354 V464 N465 H466 T472	V351-F468 HydrophobicContact CG1-CE1 3.99Å; V351-F468 HydrophobicContact CG1-CZ 4.01Å; L354-F468 HydrophobicContact CB-CE1 4.4Å; L354-F468 HydrophobicContact CD2-CE1 4.39Å; V464-F468 VanDerWaalsContact O-CB 3.29Å; V464-F468 WeakPolarHBondContact O-CB 3.25Å; V464-F468 PolarHBondContact O-N 3.06Å; N465-F468 PolarHBondContact O-N 3.15Å; H466-F468 VanDerWaalsContact C-N 3.35Å; F468-T472 WeakPolarHBondContact O-CB 3.33Å; F468-T472 PolarHBondContact O-N 3.34Å; F468-T472 PolarHBondContact O-OG1 3.27Å
469	I	79.1	Confident	78.5	Confident	0 Å²	0	65 Å²	65	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-62.4	-50.1	176.4	-67.1	165.6	0	0	0	110.1	V357 N465 G471 T472 L473 L488	V357-I469 HydrophobicContact CG1-CG2 4.15Å; V357-I469 HydrophobicContact CG2-CD1 4.24Å; V357-I469 HydrophobicContact CG2-CG2 4.24Å; N465-I469 WeakPolarHBondContact O-CG1 3.48Å; N465-I469 PolarHBondContact O-N 3.42Å; N465-I469 WeakPolarHBondContact OD1-CD1 3.47Å; I469-G471 PolarHBondContact O-N 3.39Å; I469-T472 PolarHBondContact O-N 3.01Å; I469-L473 HydrophobicContact CG2-CD1 3.83Å; I469-L473 HydrophobicContact CG2-CG 4.34Å; I469-L473 WeakPolarHBondContact O-CB 3.36Å; I469-L473 VanDerWaalsContact O-CG 3.29Å; I469-L473 WeakPolarHBondContact O-CG 3.45Å; I469-L473 PolarHBondContact O-N 3.04Å; I469-L488 HydrophobicContact CG2-CD2 4.2Å
470	A	77.1	Confident	77.1	Confident	26 Å²	26	67.8 Å²	67.8	22%	0.215	35%	0.352	C	S	.	.	H	α-helix	trans	-61.8	-45.3	-179.1	0	0	0	0	0	112.2	H466 I467 T472 L473 Y474	H466-A470 VanDerWaalsContact O-CB 3.24Å; H466-A470 WeakPolarHBondContact O-CB 3.24Å; H466-A470 PolarHBondContact O-N 2.81Å; I467-A470 PolarHBondContact O-N 3.43Å; A470-T472 VanDerWaalsContact C-N 3.34Å; A470-T472 PolarHBondContact O-N 3.21Å; A470-L473 PolarHBondContact O-N 3.49Å; A470-Y474 WeakPolarHBondContact O-CB 3.27Å; A470-Y474 PolarHBondContact O-N 3.27Å
471	G	77.4	Confident	75.4	Confident	40 Å²	40	65.7 Å²	65.7	41%	0.412	35%	0.345	S	S	.	.	H	α-helix	trans	-64.6	-36.8	177.4	0	0	0	0	0	112.8	I467 I469 A475	I467-G471 PolarHBondContact O-N 3.25Å; I469-G471 PolarHBondContact O-N 3.39Å; G471-A475 WeakPolarHBondContact O-CB 3.45Å; G471-A475 PolarHBondContact O-N 3.13Å
472	T	77.2	Confident	73.9	Confident	31 Å²	31	71.9 Å²	71.9	19%	0.19	37%	0.374	C	S	.	.	H	α-helix	trans	-71.3	-41.8	176.2	-50.7	0	0	0	0	111.9	L354 F468 I469 A470 Y474 A475 L476	L354-T472 HydrophobicContact CD1-CG2 3.95Å; L354-T472 HydrophobicContact CD2-CG2 3.42Å; L354-T472 VanDerWaalsContact CD2-CG2 3.42Å; L354-T472 HydrophobicContact CG-CG2 4.31Å; F468-T472 WeakPolarHBondContact O-CB 3.33Å; F468-T472 PolarHBondContact O-N 3.34Å; F468-T472 PolarHBondContact O-OG1 3.27Å; I469-T472 PolarHBondContact O-N 3.01Å; A470-T472 VanDerWaalsContact C-N 3.34Å; A470-T472 PolarHBondContact O-N 3.21Å; T472-Y474 VanDerWaalsContact C-N 3.28Å; T472-Y474 PolarHBondContact O-N 2.9Å; T472-A475 PolarHBondContact O-N 3.17Å; T472-L476 HydrophobicContact CG2-CD1 3.92Å; T472-L476 HydrophobicContact CG2-CG 4.32Å; T472-L476 WeakPolarHBondContact O-CB 3.42Å; T472-L476 WeakPolarHBondContact O-CG 3.33Å; T472-L476 PolarHBondContact O-N 2.8Å
473	L	73.8	Confident	72.5	Confident	4 Å²	4	72.3 Å²	72.3	2%	0.021	38%	0.376	C	S	.	.	H	α-helix	trans	-63.1	-36.6	175.5	-69.9	173.7	0	0	0	112.1	V357 L361 I469 A470 D477 I478 Y479	V357-L473 HydrophobicContact CG1-CD1 4.21Å; L361-L473 HydrophobicContact CD1-CD2 3.75Å; I469-L473 HydrophobicContact CG2-CD1 3.83Å; I469-L473 HydrophobicContact CG2-CG 4.34Å; I469-L473 WeakPolarHBondContact O-CB 3.36Å; I469-L473 VanDerWaalsContact O-CG 3.29Å; I469-L473 WeakPolarHBondContact O-CG 3.45Å; I469-L473 PolarHBondContact O-N 3.04Å; A470-L473 PolarHBondContact O-N 3.49Å; L473-D477 PolarHBondContact O-N 3.11Å; L473-I478 HydrophobicContact CD2-CB 4.36Å; L473-I478 HydrophobicContact CD2-CG2 4.38Å; L473-I478 PolarHBondContact O-N 3.27Å; L473-I478 VanDerWaalsContact O-N 3.09Å; L473-Y479 HydrophobicContact CB-CD2 4.32Å; L473-Y479 PolarHBondContact O-N 3.21Å
474	Y	73.6	Confident	71.1	Confident	170 Å²	170	72 Å²	72	67%	0.667	38%	0.38	S	S	*	.	H	α-helix	trans	-66.2	-45.7	172.9	-171.6	-91	0	0	0	111.5	A470 T472 L476 D477	A470-Y474 WeakPolarHBondContact O-CB 3.27Å; A470-Y474 PolarHBondContact O-N 3.27Å; T472-Y474 VanDerWaalsContact C-N 3.28Å; T472-Y474 PolarHBondContact O-N 2.9Å; Y474-L476 VanDerWaalsContact C-N 3.25Å; Y474-L476 PolarHBondContact O-N 3.19Å; Y474-D477 PolarHBondContact O-N 3.41Å; Y474-D477 VanDerWaalsContact O-N 3.16Å
475	A	73.7	Confident	70	Confident	74 Å²	74	73 Å²	73	61%	0.612	39%	0.385	S	S	*	.	H	α-helix	trans	-66.7	-24.1	179.5	0	0	0	0	0	114.1	G471 T472	G471-A475 WeakPolarHBondContact O-CB 3.45Å; G471-A475 PolarHBondContact O-N 3.13Å; T472-A475 PolarHBondContact O-N 3.17Å
476	L	70	Confident	69.2	Low	94 Å²	94	75 Å²	75	49%	0.492	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	1.8	176.4	-68	173.8	0	0	0	113.4	T472 Y474 I478	T472-L476 HydrophobicContact CG2-CD1 3.92Å; T472-L476 HydrophobicContact CG2-CG 4.32Å; T472-L476 WeakPolarHBondContact O-CB 3.42Å; T472-L476 WeakPolarHBondContact O-CG 3.33Å; T472-L476 PolarHBondContact O-N 2.8Å; Y474-L476 VanDerWaalsContact C-N 3.25Å; Y474-L476 PolarHBondContact O-N 3.19Å; L476-I478 HydrophobicContact CB-CD1 3.59Å; L476-I478 HydrophobicContact CB-CG1 3.73Å; L476-I478 HydrophobicContact CD1-CD1 3.87Å; L476-I478 HydrophobicContact CG-CD1 4.36Å; L476-I478 WeakPolarHBondContact O-CG1 3.45Å; L476-I478 PolarHBondContact O-N 3.32Å
477	D	68.5	Low	68.4	Low	137 Å²	137	72.8 Å²	72.8	73%	0.733	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	22.3	-172.4	-68.6	-37.8	0	0	0	114	L473 Y474	L473-D477 PolarHBondContact O-N 3.11Å; Y474-D477 PolarHBondContact O-N 3.41Å; Y474-D477 VanDerWaalsContact O-N 3.16Å
478	I	67	Low	67.8	Low	18 Å²	18	69 Å²	69	9%	0.092	37%	0.372	C	S	.	.			trans	-89.1	-12.2	-179.4	-55.7	171.5	0	0	0	111.2	Y358 L361 L473 L476 T480 I481	Y358-I478 HydrophobicContact CD2-CD1 4.12Å; Y358-I478 HydrophobicContact CE2-CD1 3.9Å; L361-I478 HydrophobicContact CD1-CG2 3.7Å; L473-I478 HydrophobicContact CD2-CB 4.36Å; L473-I478 HydrophobicContact CD2-CG2 4.38Å; L473-I478 PolarHBondContact O-N 3.27Å; L473-I478 VanDerWaalsContact O-N 3.09Å; L476-I478 HydrophobicContact CB-CD1 3.59Å; L476-I478 HydrophobicContact CB-CG1 3.73Å; L476-I478 HydrophobicContact CD1-CD1 3.87Å; L476-I478 HydrophobicContact CG-CD1 4.36Å; L476-I478 WeakPolarHBondContact O-CG1 3.45Å; L476-I478 PolarHBondContact O-N 3.32Å; I478-T480 PolarHBondContact O-N 3.01Å; I478-I481 HydrophobicContact CG2-CD1 4.4Å; I478-I481 PolarHBondContact O-N 2.95Å
479	Y	59.1	Low	67.4	Low	103 Å²	103	72.5 Å²	72.5	40%	0.404	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-20.5	-173.3	-161.5	-94.5	0	0	0	114.3	L473 I481	L473-Y479 HydrophobicContact CB-CD2 4.32Å; L473-Y479 PolarHBondContact O-N 3.21Å; Y479-I481 VanDerWaalsContact C-N 3.33Å
480	T	57.4	Low	67.2	Low	127 Å²	127	80.4 Å²	80.4	78%	0.779	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-16.2	177.6	52.7	0	0	0	0	113.7	I478 E482	I478-T480 PolarHBondContact O-N 3.01Å; T480-E482 PolarHBondContact O-N 3.23Å
481	I	55	Low	67.4	Low	76 Å²	76	79.6 Å²	79.6	39%	0.39	41%	0.405	S	S	.	.	S	Bend	trans	-92.5	89.9	-178	-52.7	174.8	0	0	0	108.6	I478 Y479 M483	I478-I481 HydrophobicContact CG2-CD1 4.4Å; I478-I481 PolarHBondContact O-N 2.95Å; Y479-I481 VanDerWaalsContact C-N 3.33Å; I481-M483 PolarHBondContact O-N 3.31Å
482	E	54.7	Low	67.5	Low	148 Å²	148	80.2 Å²	80.2	69%	0.692	40%	0.397	S	S	*	.	S	Bend	trans	59.7	0.4	152.6	-60.3	-174.3	166.1	0	0	120.2	T480 H484	T480-E482 PolarHBondContact O-N 3.23Å; E482-H484 VanDerWaalsContact C-N 3.28Å; E482-H484 PolarHBondContact O-N 2.78Å
483	M	56.8	Low	67.6	Low	16 Å²	16	86.5 Å²	86.5	8%	0.079	42%	0.417	C	S	.	.			trans	-74.8	83.6	173	-76.3	-73.8	-86.8	0	0	110.9	V357 L361 Y370 I481 T485 L488	V357-M483 HydrophobicContact CG1-CE 3.72Å; L361-M483 HydrophobicContact CD2-CG 3.29Å; L361-M483 HydrophobicContact CD2-SD 3.96Å; L361-M483 HydrophobicContact CG-CG 4.46Å; Y370-M483 HydrophobicContact CE1-CE 4.3Å; Y370-M483 HydrophobicContact CE1-SD 4.08Å; Y370-M483 PolarHBondContact OH-SD 3.38Å; I481-M483 PolarHBondContact O-N 3.31Å; M483-T485 PolarHBondContact O-N 2.89Å; M483-T485 VanDerWaalsContact O-N 3.15Å; M483-L488 HydrophobicContact CE-CD1 4.07Å; M483-L488 HydrophobicContact CE-CG 4.11Å
484	H	57.4	Low	68.1	Low	135 Å²	135	89 Å²	89	63%	0.625	43%	0.43	S	S	*	.			trans	-52.6	124.6	167.3	-72.2	-75.5	0	0	0	108.9	E482 S486 V487	E482-H484 VanDerWaalsContact C-N 3.28Å; E482-H484 PolarHBondContact O-N 2.78Å; H484-S486 VanDerWaalsContact CB-OG 3.26Å; H484-S486 WeakPolarHBondContact CB-OG 3.2Å; H484-S486 PolarHBondContact O-N 3.46Å; H484-V487 HydrophobicContact CB-CG2 4.28Å; H484-V487 WeakPolarHBondContact O-CB 3.27Å; H484-V487 PolarHBondContact O-N 3.46Å
485	T	62.8	Low	68.5	Low	82 Å²	82	81 Å²	81	50%	0.503	40%	0.399	S	S	.	.	H	α-helix	trans	-51.9	-20.1	174.9	53.9	0	0	0	0	113.3	M483 R489	M483-T485 PolarHBondContact O-N 2.89Å; M483-T485 VanDerWaalsContact O-N 3.15Å; T485-R489 PolarHBondContact O-N 2.9Å
486	S	65.3	Low	69	Low	45 Å²	45	80.1 Å²	80.1	32%	0.315	38%	0.383	S	S	.	.	H	α-helix	trans	-63	-39.6	171.5	59.3	0	0	0	0	112.9	H484 R489 Y490	H484-S486 VanDerWaalsContact CB-OG 3.26Å; H484-S486 WeakPolarHBondContact CB-OG 3.2Å; H484-S486 PolarHBondContact O-N 3.46Å; S486-R489 CarbonylContact O-C 3.49Å; S486-R489 WeakPolarHBondContact O-CA 3.34Å; S486-R489 VanDerWaalsContact O-CB 3.29Å; S486-R489 WeakPolarHBondContact O-CB 3.37Å; S486-R489 PolarHBondContact O-N 3.43Å; S486-R489 VanDerWaalsContact O-N 3.15Å; S486-Y490 WeakPolarHBondContact O-CD2 3.21Å; S486-Y490 PolarHBondContact O-N 2.89Å
487	V	66.1	Low	69.7	Low	28 Å²	28	80.4 Å²	80.4	17%	0.17	39%	0.385	C	S	.	.	H	α-helix	trans	-66.7	-48.1	-175.9	174	0	0	0	0	111.7	Y370 H484 R489 Y490 Y491	Y370-V487 HydrophobicContact CD1-CG1 3.69Å; Y370-V487 HydrophobicContact CD2-CG1 3.51Å; Y370-V487 HydrophobicContact CE1-CG1 3.45Å; Y370-V487 VanDerWaalsContact CE1-CG1 3.45Å; Y370-V487 HydrophobicContact CE2-CB 4.39Å; Y370-V487 HydrophobicContact CE2-CG1 3.23Å; Y370-V487 HydrophobicContact CE2-CG2 4.29Å; Y370-V487 HydrophobicContact CG-CG1 3.75Å; H484-V487 HydrophobicContact CB-CG2 4.28Å; H484-V487 WeakPolarHBondContact O-CB 3.27Å; H484-V487 PolarHBondContact O-N 3.46Å; V487-R489 PolarHBondContact O-N 3.47Å; V487-Y490 PolarHBondContact O-N 2.98Å; V487-Y490 VanDerWaalsContact O-N 3.11Å; V487-Y491 PolarHBondContact O-N 3.04Å
488	L	69.4	Low	70.4	Confident	9 Å²	9	75.2 Å²	75.2	5%	0.047	36%	0.357	C	S	.	.	H	α-helix	trans	-57.6	-34	173.7	-82.6	143.1	0	0	0	111.5	I469 M483 F492	I469-L488 HydrophobicContact CG2-CD2 4.2Å; M483-L488 HydrophobicContact CE-CD1 4.07Å; M483-L488 HydrophobicContact CE-CG 4.11Å; L488-F492 PolarHBondContact O-N 2.69Å
489	R	73.1	Confident	71.1	Confident	159 Å²	159	75.3 Å²	75.3	60%	0.6	36%	0.357	S	S	*	.	H	α-helix	trans	-71.3	-41.6	175.7	-165.2	-175.2	-54.2	-169	2.7	112.3	T485 S486 V487 F492 W493	T485-R489 PolarHBondContact O-N 2.9Å; S486-R489 CarbonylContact O-C 3.49Å; S486-R489 WeakPolarHBondContact O-CA 3.34Å; S486-R489 VanDerWaalsContact O-CB 3.29Å; S486-R489 WeakPolarHBondContact O-CB 3.37Å; S486-R489 PolarHBondContact O-N 3.43Å; S486-R489 VanDerWaalsContact O-N 3.15Å; V487-R489 PolarHBondContact O-N 3.47Å; R489-F492 WeakPolarHBondContact O-CB 3.41Å; R489-F492 PolarHBondContact O-N 3.48Å; R489-W493 VanDerWaalsContact O-CD1 3.25Å; R489-W493 PolarHBondContact O-N 2.97Å
490	Y	76.7	Confident	72.3	Confident	166 Å²	166	73.2 Å²	73.2	65%	0.651	36%	0.361	S	S	*	.	H	α-helix	trans	-65	-42.5	175.7	-69.8	-60	0	0	0	111.8	S486 V487 F492 W493 L494	S486-Y490 WeakPolarHBondContact O-CD2 3.21Å; S486-Y490 PolarHBondContact O-N 2.89Å; V487-Y490 PolarHBondContact O-N 2.98Å; V487-Y490 VanDerWaalsContact O-N 3.11Å; Y490-F492 VanDerWaalsContact C-N 3.3Å; Y490-F492 PolarHBondContact O-N 3.37Å; Y490-W493 PolarHBondContact O-N 3.47Å; Y490-L494 WeakPolarHBondContact O-CB 3.37Å; Y490-L494 PolarHBondContact O-N 3.45Å
491	Y	81.2	Confident	73.6	Confident	10 Å²	10	72 Å²	72	4%	0.039	35%	0.348	C	S	.	.	H	α-helix	trans	-55.1	-44.7	172.6	151.5	-99.8	0	0	0	111.7	L373 A374 T377 N465 V487 W493 L494 T495	L373-Y491 HydrophobicContact CB-CD2 4.3Å; L373-Y491 HydrophobicContact CB-CE2 4.28Å; L373-Y491 HydrophobicContact CD1-CE2 4.43Å; L373-Y491 HydrophobicContact CD2-CD2 3.76Å; L373-Y491 HydrophobicContact CD2-CE2 3.8Å; L373-Y491 HydrophobicContact CD2-CG 4.12Å; L373-Y491 HydrophobicContact CG-CD2 3.78Å; L373-Y491 HydrophobicContact CG-CE2 3.47Å; L373-Y491 VanDerWaalsContact CG-CE2 3.47Å; A374-Y491 HydrophobicContact CB-CD2 3.9Å; A374-Y491 HydrophobicContact CB-CE2 4.33Å; T377-Y491 WeakPolarHBondContact CB-OH 3.34Å; T377-Y491 HydrophobicContact CG2-CE2 4.38Å; T377-Y491 WeakPolarHBondContact CG2-OH 3.24Å; T377-Y491 PolarHBondContact OG1-OH 3.43Å; N465-Y491 PolarHBondContact ND2-OH 2.96Å; V487-Y491 PolarHBondContact O-N 3.04Å; Y491-W493 PolarHBondContact O-N 3.49Å; Y491-L494 PolarHBondContact O-N 3.05Å; Y491-T495 HydrophobicContact CD2-CG2 3.73Å; Y491-T495 HydrophobicContact CE2-CG2 3.3Å; Y491-T495 HydrophobicContact CG-CG2 4.49Å; Y491-T495 VanDerWaalsContact O-CG2 3.3Å; Y491-T495 WeakPolarHBondContact O-CG2 3.3Å; Y491-T495 PolarHBondContact O-N 2.84Å
492	F	78.2	Confident	74.8	Confident	52 Å²	52	69.6 Å²	69.6	23%	0.228	34%	0.336	C	S	.	.	H	α-helix	trans	-57.5	-49.4	178.1	-179.7	-90.7	0	0	0	111.7	L459 L462 L488 R489 Y490 T495 I496	L459-F492 HydrophobicContact CD2-CZ 3.87Å; L462-F492 HydrophobicContact CB-CD2 4.04Å; L462-F492 HydrophobicContact CB-CE2 3.61Å; L462-F492 HydrophobicContact CD1-CD2 4.31Å; L462-F492 HydrophobicContact CD1-CE2 3.92Å; L462-F492 HydrophobicContact CD1-CZ 4.47Å; L462-F492 HydrophobicContact CG-CE2 4.35Å; L488-F492 PolarHBondContact O-N 2.69Å; R489-F492 WeakPolarHBondContact O-CB 3.41Å; R489-F492 PolarHBondContact O-N 3.48Å; Y490-F492 VanDerWaalsContact C-N 3.3Å; Y490-F492 PolarHBondContact O-N 3.37Å; F492-T495 PolarHBondContact O-N 3.46Å; F492-T495 PolarHBondContact O-OG1 3.33Å; F492-I496 HydrophobicContact CD1-CD1 3.91Å; F492-I496 HydrophobicContact CE1-CD1 3.4Å; F492-I496 HydrophobicContact CZ-CD1 3.88Å; F492-I496 PolarHBondContact O-N 2.83Å
493	W	80.5	Confident	76.1	Confident	163 Å²	163	66 Å²	66	62%	0.617	32%	0.321	S	S	*	.	H	α-helix	trans	-68.2	-36.4	178	-70.4	111.1	0	0	0	113.1	R489 Y490 Y491 T495 I496 L497	R489-W493 VanDerWaalsContact O-CD1 3.25Å; R489-W493 PolarHBondContact O-N 2.97Å; Y490-W493 PolarHBondContact O-N 3.47Å; Y491-W493 PolarHBondContact O-N 3.49Å; W493-T495 VanDerWaalsContact C-N 3.34Å; W493-T495 PolarHBondContact O-N 3.48Å; W493-I496 HydrophobicContact CE3-CD1 4.07Å; W493-I496 HydrophobicContact CZ3-CD1 4.2Å; W493-I496 PolarHBondContact O-N 2.85Å; W493-L497 PolarHBondContact O-N 3.34Å
494	L	83.7	Confident	77.3	Confident	58 Å²	58	67.2 Å²	67.2	30%	0.304	34%	0.337	S	S	.	.	H	α-helix	trans	-62.2	-40.8	175.4	-166.9	75	0	0	0	111.2	I371 A374 Y490 Y491 I496 L497 I498	I371-L494 HydrophobicContact CG1-CD2 4.21Å; A374-L494 HydrophobicContact CB-CB 4.08Å; A374-L494 HydrophobicContact CB-CD2 3.42Å; A374-L494 VanDerWaalsContact CB-CD2 3.42Å; A374-L494 HydrophobicContact CB-CG 3.86Å; Y490-L494 WeakPolarHBondContact O-CB 3.37Å; Y490-L494 PolarHBondContact O-N 3.45Å; Y491-L494 PolarHBondContact O-N 3.05Å; L494-I496 PolarHBondContact O-N 3.35Å; L494-L497 PolarHBondContact O-N 2.84Å; L494-I498 HydrophobicContact CD2-CD1 4.33Å; L494-I498 HydrophobicContact CG-CD1 3.95Å; L494-I498 VanDerWaalsContact O-CG1 3.3Å; L494-I498 WeakPolarHBondContact O-CG1 3.35Å; L494-I498 PolarHBondContact O-N 2.9Å
495	T	82.5	Confident	78.6	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-61.4	-44	175.5	61.9	0	0	0	0	112.1	A374 T377 S378 Y491 F492 W493 L497 I498 I499	A374-T495 HydrophobicContact CB-CG2 3.91Å; T377-T495 HydrophobicContact CG2-CG2 4.09Å; S378-T495 WeakPolarHBondContact OG-CA 3.41Å; S378-T495 PolarHBondContact OG-O 2.85Å; Y491-T495 HydrophobicContact CD2-CG2 3.73Å; Y491-T495 HydrophobicContact CE2-CG2 3.3Å; Y491-T495 HydrophobicContact CG-CG2 4.49Å; Y491-T495 VanDerWaalsContact O-CG2 3.3Å; Y491-T495 WeakPolarHBondContact O-CG2 3.3Å; Y491-T495 PolarHBondContact O-N 2.84Å; F492-T495 PolarHBondContact O-N 3.46Å; F492-T495 PolarHBondContact O-OG1 3.33Å; W493-T495 VanDerWaalsContact C-N 3.34Å; W493-T495 PolarHBondContact O-N 3.48Å; T495-L497 VanDerWaalsContact C-N 3.33Å; T495-L497 PolarHBondContact O-N 3.35Å; T495-I498 PolarHBondContact O-N 3.5Å; T495-I499 WeakPolarHBondContact O-CB 3.39Å; T495-I499 VanDerWaalsContact O-CG1 3.25Å; T495-I499 WeakPolarHBondContact O-CG1 3.33Å; T495-I499 PolarHBondContact O-N 3.34Å
496	I	82.5	Confident	79.4	Confident	56 Å²	56	62.8 Å²	62.8	29%	0.287	31%	0.313	S	S	.	.	H	α-helix	trans	-61.7	-44.7	178	-67.2	172.8	0	0	0	110.4	L459 L462 F492 W493 L494 I499 A500	L459-I496 HydrophobicContact CD2-CD1 4.44Å; L462-I496 HydrophobicContact CD1-CG1 4.31Å; F492-I496 HydrophobicContact CD1-CD1 3.91Å; F492-I496 HydrophobicContact CE1-CD1 3.4Å; F492-I496 HydrophobicContact CZ-CD1 3.88Å; F492-I496 PolarHBondContact O-N 2.83Å; W493-I496 HydrophobicContact CE3-CD1 4.07Å; W493-I496 HydrophobicContact CZ3-CD1 4.2Å; W493-I496 PolarHBondContact O-N 2.85Å; L494-I496 PolarHBondContact O-N 3.35Å; I496-I499 PolarHBondContact O-N 2.94Å; I496-A500 WeakPolarHBondContact O-CB 3.32Å; I496-A500 PolarHBondContact O-N 2.67Å
497	L	85.2	Confident	80	Confident	100 Å²	100	62.1 Å²	62.1	52%	0.524	31%	0.31	S	S	.	.	H	α-helix	trans	-61.8	-48.5	178.5	-177.8	67	0	0	0	111.7	W493 L494 T495 I499 A500 I501	W493-L497 PolarHBondContact O-N 3.34Å; L494-L497 PolarHBondContact O-N 2.84Å; T495-L497 VanDerWaalsContact C-N 3.33Å; T495-L497 PolarHBondContact O-N 3.35Å; L497-I499 PolarHBondContact O-N 3.28Å; L497-A500 PolarHBondContact O-N 3.48Å; L497-I501 HydrophobicContact CD1-CD1 4.27Å; L497-I501 HydrophobicContact CG-CD1 3.98Å; L497-I501 WeakPolarHBondContact O-CG1 3.39Å; L497-I501 PolarHBondContact O-N 3.39Å
498	I	83.2	Confident	80.8	Confident	28 Å²	28	68.8 Å²	68.8	14%	0.144	33%	0.332	C	S	.	.	H	α-helix	trans	-61.5	-44.9	179.4	-69.5	168.5	0	0	0	110.8	A374 I375 L494 T495 A500 I501 I502	A374-I498 HydrophobicContact CB-CD1 3.87Å; I375-I498 HydrophobicContact CG1-CD1 3.92Å; L494-I498 HydrophobicContact CD2-CD1 4.33Å; L494-I498 HydrophobicContact CG-CD1 3.95Å; L494-I498 VanDerWaalsContact O-CG1 3.3Å; L494-I498 WeakPolarHBondContact O-CG1 3.35Å; L494-I498 PolarHBondContact O-N 2.9Å; T495-I498 PolarHBondContact O-N 3.5Å; I498-A500 VanDerWaalsContact C-N 3.33Å; I498-A500 PolarHBondContact O-N 3.38Å; I498-I501 PolarHBondContact O-N 2.91Å; I498-I502 HydrophobicContact CG2-CD1 3.62Å; I498-I502 HydrophobicContact CG2-CG1 4.31Å; I498-I502 VanDerWaalsContact O-CG1 3.3Å; I498-I502 WeakPolarHBondContact O-CG1 3.29Å; I498-I502 PolarHBondContact O-N 3.14Å
499	I	82.8	Confident	81.3	Confident	21 Å²	21	71.9 Å²	71.9	11%	0.108	35%	0.348	C	S	.	.	H	α-helix	trans	-59	-46	175.5	-70.6	171.4	0	0	0	110.6	L381 L382 T495 I496 L497 I501 I502 I503	L381-I499 HydrophobicContact CB-CD1 4.13Å; L381-I499 HydrophobicContact CD1-CD1 3.83Å; L382-I499 HydrophobicContact CD2-CG2 4.23Å; L382-I499 HydrophobicContact CG-CG1 4.45Å; T495-I499 WeakPolarHBondContact O-CB 3.39Å; T495-I499 VanDerWaalsContact O-CG1 3.25Å; T495-I499 WeakPolarHBondContact O-CG1 3.33Å; T495-I499 PolarHBondContact O-N 3.34Å; I496-I499 PolarHBondContact O-N 2.94Å; L497-I499 PolarHBondContact O-N 3.28Å; I499-I501 VanDerWaalsContact C-N 3.34Å; I499-I501 PolarHBondContact O-N 3.37Å; I499-I502 PolarHBondContact O-N 3.06Å; I499-I503 HydrophobicContact CG2-CD1 3.52Å; I499-I503 HydrophobicContact CG2-CG1 4.24Å; I499-I503 WeakPolarHBondContact O-CB 3.37Å; I499-I503 VanDerWaalsContact O-CG1 3.25Å; I499-I503 WeakPolarHBondContact O-CG1 3.4Å; I499-I503 PolarHBondContact O-N 2.74Å
500	A	82.9	Confident	81.4	Confident	58 Å²	58	65 Å²	65	48%	0.479	32%	0.323	S	S	.	.	H	α-helix	trans	-61.3	-42.4	179.3	0	0	0	0	0	111.9	I496 L497 I498 G504	I496-A500 WeakPolarHBondContact O-CB 3.32Å; I496-A500 PolarHBondContact O-N 2.67Å; L497-A500 PolarHBondContact O-N 3.48Å; I498-A500 VanDerWaalsContact C-N 3.33Å; I498-A500 PolarHBondContact O-N 3.38Å; A500-G504 PolarHBondContact O-N 3.41Å
501	I	85.8	Confident	81.2	Confident	101 Å²	101	61.1 Å²	61.1	52%	0.518	31%	0.313	S	S	.	.	H	α-helix	trans	-63.3	-49.9	176.3	-68	167.3	0	0	0	110.7	L497 I498 I499 I503 G504 M505	L497-I501 HydrophobicContact CD1-CD1 4.27Å; L497-I501 HydrophobicContact CG-CD1 3.98Å; L497-I501 WeakPolarHBondContact O-CG1 3.39Å; L497-I501 PolarHBondContact O-N 3.39Å; I498-I501 PolarHBondContact O-N 2.91Å; I499-I501 VanDerWaalsContact C-N 3.34Å; I499-I501 PolarHBondContact O-N 3.37Å; I501-I503 PolarHBondContact O-N 2.88Å; I501-G504 PolarHBondContact O-N 3.44Å; I501-M505 VanDerWaalsContact O-CB 3.26Å; I501-M505 WeakPolarHBondContact O-CB 3.47Å; I501-M505 PolarHBondContact O-N 2.94Å
502	I	80	Confident	81	Confident	26 Å²	26	69 Å²	69	13%	0.133	35%	0.345	C	S	.	.	H	α-helix	trans	-62.4	-44.2	-179	-66.1	168.8	0	0	0	110.8	L382 F400 L407 I498 I499 I506	L382-I502 HydrophobicContact CD1-CB 3.97Å; L382-I502 HydrophobicContact CD1-CD1 3.74Å; L382-I502 HydrophobicContact CD1-CG1 4.47Å; L382-I502 HydrophobicContact CD1-CG2 3.6Å; F400-I502 HydrophobicContact CD1-CG2 4.32Å; F400-I502 HydrophobicContact CE1-CG2 4.2Å; L407-I502 HydrophobicContact CD1-CD1 3.91Å; I498-I502 HydrophobicContact CG2-CD1 3.62Å; I498-I502 HydrophobicContact CG2-CG1 4.31Å; I498-I502 VanDerWaalsContact O-CG1 3.3Å; I498-I502 WeakPolarHBondContact O-CG1 3.29Å; I498-I502 PolarHBondContact O-N 3.14Å; I499-I502 PolarHBondContact O-N 3.06Å; I502-I506 HydrophobicContact CG2-CD1 3.71Å; I502-I506 WeakPolarHBondContact O-CB 3.36Å; I502-I506 WeakPolarHBondContact O-CG1 3.29Å; I502-I506 PolarHBondContact O-N 3.42Å; I502-I506 VanDerWaalsContact O-N 3.07Å
503	I	82.2	Confident	80.9	Confident	74 Å²	74	72.9 Å²	72.9	38%	0.379	36%	0.363	S	S	.	.	H	α-helix	trans	-63.5	-47.8	177	-68.4	174.1	0	0	0	110.8	L382 F400 I499 I501 I506 A507	L382-I503 HydrophobicContact CD2-CD1 4.06Å; L382-I503 HydrophobicContact CD2-CG1 3.8Å; F400-I503 HydrophobicContact CE1-CG1 4.17Å; F400-I503 HydrophobicContact CZ-CG1 4.43Å; I499-I503 HydrophobicContact CG2-CD1 3.52Å; I499-I503 HydrophobicContact CG2-CG1 4.24Å; I499-I503 WeakPolarHBondContact O-CB 3.37Å; I499-I503 VanDerWaalsContact O-CG1 3.25Å; I499-I503 WeakPolarHBondContact O-CG1 3.4Å; I499-I503 PolarHBondContact O-N 2.74Å; I501-I503 PolarHBondContact O-N 2.88Å; I503-I506 PolarHBondContact O-N 2.92Å; I503-A507 WeakPolarHBondContact O-CB 3.31Å; I503-A507 PolarHBondContact O-N 2.84Å
504	G	82.7	Confident	80.4	Confident	40 Å²	40	67.2 Å²	67.2	41%	0.412	34%	0.343	S	S	.	.	H	α-helix	trans	-61	-46.7	-180	0	0	0	0	0	112.2	A500 I501 A507 W508	A500-G504 PolarHBondContact O-N 3.41Å; I501-G504 PolarHBondContact O-N 3.44Å; G504-A507 PolarHBondContact O-N 3.34Å; G504-W508 VanDerWaalsContact O-CB 3.28Å; G504-W508 WeakPolarHBondContact O-CB 3.35Å; G504-W508 PolarHBondContact O-N 2.84Å
505	M	84.8	Confident	79.5	Confident	117 Å²	117	67.3 Å²	67.3	58%	0.576	35%	0.349	S	S	*	.	H	α-helix	trans	-61.9	-47.9	178.8	-174.8	-176.4	178.8	0	0	111.7	I501 W508 L509	I501-M505 VanDerWaalsContact O-CB 3.26Å; I501-M505 WeakPolarHBondContact O-CB 3.47Å; I501-M505 PolarHBondContact O-N 2.94Å; M505-W508 PolarHBondContact O-N 2.89Å; M505-L509 HydrophobicContact CE-CD1 4.32Å; M505-L509 HydrophobicContact CG-CD1 4.26Å; M505-L509 VanDerWaalsContact O-CG 3.31Å; M505-L509 WeakPolarHBondContact O-CG 3.31Å; M505-L509 PolarHBondContact O-N 2.9Å
506	I	78.8	Confident	78.5	Confident	8 Å²	8	76.3 Å²	76.3	4%	0.041	39%	0.388	C	S	.	.	H	α-helix	trans	-69.9	-37.5	-179.5	-68.8	165.9	0	0	0	111.2	R396 F400 I403 I502 I503 W508 F510	R396-I506 HydrophobicContact CG-CG2 4.11Å; F400-I506 HydrophobicContact CD1-CB 4.4Å; F400-I506 HydrophobicContact CD1-CD1 3.27Å; F400-I506 HydrophobicContact CD1-CG1 4.4Å; F400-I506 HydrophobicContact CD1-CG2 4.34Å; F400-I506 HydrophobicContact CD2-CG2 4.13Å; F400-I506 HydrophobicContact CE1-CB 3.63Å; F400-I506 HydrophobicContact CE1-CD1 3.22Å; F400-I506 HydrophobicContact CE1-CG1 3.96Å; F400-I506 HydrophobicContact CE1-CG2 3.82Å; F400-I506 HydrophobicContact CE2-CB 4.22Å; F400-I506 HydrophobicContact CE2-CG2 3.57Å; F400-I506 HydrophobicContact CG-CD1 4.1Å; F400-I506 HydrophobicContact CG-CG2 4.47Å; F400-I506 HydrophobicContact CZ-CB 3.5Å; F400-I506 VanDerWaalsContact CZ-CB 3.5Å; F400-I506 HydrophobicContact CZ-CD1 4.01Å; F400-I506 HydrophobicContact CZ-CG1 4.34Å; F400-I506 HydrophobicContact CZ-CG2 3.38Å; I403-I506 HydrophobicContact CD1-CD1 3.56Å; I403-I506 HydrophobicContact CD1-CG1 4.22Å; I502-I506 HydrophobicContact CG2-CD1 3.71Å; I502-I506 WeakPolarHBondContact O-CB 3.36Å; I502-I506 WeakPolarHBondContact O-CG1 3.29Å; I502-I506 PolarHBondContact O-N 3.42Å; I502-I506 VanDerWaalsContact O-N 3.07Å; I503-I506 PolarHBondContact O-N 2.92Å; I506-W508 VanDerWaalsContact C-N 3.35Å; I506-F510 HydrophobicContact CG2-CD2 3.99Å; I506-F510 HydrophobicContact CG2-CE2 4.2Å; I506-F510 WeakPolarHBondContact O-CB 3.4Å; I506-F510 WeakPolarHBondContact O-CD2 3.2Å; I506-F510 PolarHBondContact O-N 3.46Å; I506-F510 VanDerWaalsContact O-N 3.07Å
507	A	78.1	Confident	77.5	Confident	31 Å²	31	76.1 Å²	76.1	26%	0.256	39%	0.389	S	S	.	.	H	α-helix	trans	-60.6	-46.5	173.6	0	0	0	0	0	111.1	I503 G504 F510 D511	I503-A507 WeakPolarHBondContact O-CB 3.31Å; I503-A507 PolarHBondContact O-N 2.84Å; G504-A507 PolarHBondContact O-N 3.34Å; A507-F510 PolarHBondContact O-N 2.8Å; A507-D511 PolarHBondContact O-N 3.29Å
508	W	82	Confident	76.8	Confident	167 Å²	167	77 Å²	77	63%	0.633	39%	0.386	S	S	*	.	H	α-helix	trans	-61.5	-46.9	177.5	177.8	78	0	0	0	112.5	G504 M505 I506 F510 D511 Y512	G504-W508 VanDerWaalsContact O-CB 3.28Å; G504-W508 WeakPolarHBondContact O-CB 3.35Å; G504-W508 PolarHBondContact O-N 2.84Å; M505-W508 PolarHBondContact O-N 2.89Å; I506-W508 VanDerWaalsContact C-N 3.35Å; W508-F510 VanDerWaalsContact C-N 3.32Å; W508-F510 PolarHBondContact O-N 2.84Å; W508-D511 PolarHBondContact O-N 2.89Å; W508-Y512 WeakPolarHBondContact O-CB 3.25Å; W508-Y512 PolarHBondContact O-N 3.44Å
509	L	81.5	Confident	76.3	Confident	74 Å²	74	79.8 Å²	79.8	39%	0.387	40%	0.399	S	S	.	.	H	α-helix	trans	-59.3	-41.7	177.1	-73.8	172.1	0	0	0	112.3	M505 Q513	M505-L509 HydrophobicContact CE-CD1 4.32Å; M505-L509 HydrophobicContact CG-CD1 4.26Å; M505-L509 VanDerWaalsContact O-CG 3.31Å; M505-L509 WeakPolarHBondContact O-CG 3.31Å; M505-L509 PolarHBondContact O-N 2.9Å; L509-Q513 WeakPolarHBondContact O-CB 3.24Å; L509-Q513 PolarHBondContact O-N 3.38Å
510	F	73.7	Confident	76.2	Confident	14 Å²	14	81.6 Å²	81.6	6%	0.061	41%	0.414	C	S	.	.	H	α-helix	trans	-67.2	-44.7	177.6	-97.7	-99.6	0	0	0	112.5	R396 I399 L442 I506 A507 W508 Y512 Q513 F514	R396-F510 HydrophobicContact CB-CD1 4.1Å; R396-F510 HydrophobicContact CB-CD2 4.39Å; R396-F510 HydrophobicContact CB-CE1 3.62Å; R396-F510 HydrophobicContact CB-CE2 3.94Å; R396-F510 HydrophobicContact CB-CG 4.45Å; R396-F510 HydrophobicContact CB-CZ 3.53Å; R396-F510 HydrophobicContact CG-CD1 4.23Å; R396-F510 HydrophobicContact CG-CD2 3.84Å; R396-F510 HydrophobicContact CG-CE1 4.13Å; R396-F510 HydrophobicContact CG-CE2 3.72Å; R396-F510 HydrophobicContact CG-CG 4.09Å; R396-F510 HydrophobicContact CG-CZ 3.88Å; I399-F510 HydrophobicContact CD1-CE2 3.82Å; I399-F510 HydrophobicContact CD1-CZ 3.77Å; L442-F510 HydrophobicContact CD1-CD1 4.4Å; L442-F510 HydrophobicContact CD1-CE1 3.98Å; L442-F510 HydrophobicContact CG-CD1 4.37Å; L442-F510 HydrophobicContact CG-CE1 4.25Å; I506-F510 HydrophobicContact CG2-CD2 3.99Å; I506-F510 HydrophobicContact CG2-CE2 4.2Å; I506-F510 WeakPolarHBondContact O-CB 3.4Å; I506-F510 WeakPolarHBondContact O-CD2 3.2Å; I506-F510 PolarHBondContact O-N 3.46Å; I506-F510 VanDerWaalsContact O-N 3.07Å; A507-F510 PolarHBondContact O-N 2.8Å; W508-F510 VanDerWaalsContact C-N 3.32Å; W508-F510 PolarHBondContact O-N 2.84Å; F510-Y512 VanDerWaalsContact C-N 3.31Å; F510-Q513 PolarHBondContact O-N 2.88Å; F510-F514 AromaticContact CD1-CD2 3.82Å; F510-F514 HydrophobicContact CD1-CD2 3.82Å; F510-F514 AromaticContact CD1-CE2 3.99Å; F510-F514 HydrophobicContact CD1-CE2 3.99Å; F510-F514 HydrophobicContact CE1-CD2 4.28Å; F510-F514 HydrophobicContact CE1-CE2 4.02Å; F510-F514 HydrophobicContact CG-CD2 4.42Å; F510-F514 WeakPolarHBondContact O-CB 3.31Å; F510-F514 WeakPolarHBondContact O-CD2 3.25Å; F510-F514 PolarHBondContact O-N 3.31Å
511	D	74	Confident	76.2	Confident	85 Å²	85	79.8 Å²	79.8	46%	0.455	40%	0.398	S	S	.	.	H	α-helix	trans	-66.5	-37.2	178.2	-76.1	-18.4	0	0	0	110.6	K443 A507 W508 S515	K443-D511 IonicContact NZ-OD1 2.8Å; A507-D511 PolarHBondContact O-N 3.29Å; W508-D511 PolarHBondContact O-N 2.89Å; D511-S515 WeakPolarHBondContact O-CB 3.38Å; D511-S515 PolarHBondContact O-N 3.32Å
512	Y	76	Confident	76.4	Confident	177 Å²	177	82 Å²	82	69%	0.694	40%	0.404	S	S	*	.	H	α-helix	trans	-61.6	-48.1	173.7	-177.7	-99	0	0	0	112.5	W508 F510	W508-Y512 WeakPolarHBondContact O-CB 3.25Å; W508-Y512 PolarHBondContact O-N 3.44Å; F510-Y512 VanDerWaalsContact C-N 3.31Å
513	Q	75.4	Confident	76.9	Confident	132 Å²	132	83.4 Å²	83.4	62%	0.617	41%	0.411	S	S	*	.	H	α-helix	trans	-75.9	-35.5	-174.8	-169.3	172.1	24.1	0	0	113.1	L509 F510	L509-Q513 WeakPolarHBondContact O-CB 3.24Å; L509-Q513 PolarHBondContact O-N 3.38Å; F510-Q513 PolarHBondContact O-N 2.88Å
514	F	69.9	Low	77.4	Confident	45 Å²	45	85.6 Å²	85.6	20%	0.197	42%	0.42	C	S	.	.	H	α-helix	trans	-113	-0.8	-168.5	-62.7	-79	0	0	0	115.3	L442 F510 K516 V517	L442-F514 HydrophobicContact CD1-CD1 3.64Å; L442-F514 HydrophobicContact CD1-CD2 3.8Å; L442-F514 HydrophobicContact CD1-CE1 3.49Å; L442-F514 VanDerWaalsContact CD1-CE1 3.49Å; L442-F514 HydrophobicContact CD1-CE2 3.67Å; L442-F514 HydrophobicContact CD1-CG 3.8Å; L442-F514 HydrophobicContact CD1-CZ 3.52Å; L442-F514 HydrophobicContact CD2-CB 3.51Å; L442-F514 HydrophobicContact CD2-CD1 3.68Å; L442-F514 HydrophobicContact CD2-CD2 4.03Å; L442-F514 HydrophobicContact CD2-CE1 4.41Å; L442-F514 HydrophobicContact CD2-CG 3.46Å; L442-F514 VanDerWaalsContact CD2-CG 3.46Å; L442-F514 HydrophobicContact CG-CD1 4.29Å; L442-F514 HydrophobicContact CG-CD2 4.32Å; L442-F514 HydrophobicContact CG-CG 4.16Å; F510-F514 AromaticContact CD1-CD2 3.82Å; F510-F514 HydrophobicContact CD1-CD2 3.82Å; F510-F514 AromaticContact CD1-CE2 3.99Å; F510-F514 HydrophobicContact CD1-CE2 3.99Å; F510-F514 HydrophobicContact CE1-CD2 4.28Å; F510-F514 HydrophobicContact CE1-CE2 4.02Å; F510-F514 HydrophobicContact CG-CD2 4.42Å; F510-F514 WeakPolarHBondContact O-CB 3.31Å; F510-F514 WeakPolarHBondContact O-CD2 3.25Å; F510-F514 PolarHBondContact O-N 3.31Å; F514-K516 PolarHBondContact O-N 3.44Å; F514-K516 VanDerWaalsContact O-N 3.09Å; F514-V517 HydrophobicContact CD1-CG2 4.13Å; F514-V517 PolarHBondContact O-N 2.88Å; F514-V517 VanDerWaalsContact O-N 3.15Å
515	S	65.1	Low	77.9	Confident	60 Å²	60	85.1 Å²	85.1	42%	0.42	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-23.3	172.3	179.7	0	0	0	0	112.8	D511 R518	D511-S515 WeakPolarHBondContact O-CB 3.38Å; D511-S515 PolarHBondContact O-N 3.32Å; S515-R518 PolarHBondContact O-NE 3.3Å
516	K	61.8	Low	78.3	Confident	189 Å²	189	79.6 Å²	79.6	82%	0.822	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-8.6	180	-64.2	-172.3	178.6	-175.5	0	115.3	F514 R518	F514-K516 PolarHBondContact O-N 3.44Å; F514-K516 VanDerWaalsContact O-N 3.09Å; K516-R518 PolarHBondContact O-N 3.37Å
517	V	62.7	Low	79	Confident	52 Å²	52	81.8 Å²	81.8	32%	0.315	39%	0.39	S	S	.	.			trans	-80.5	74.8	177.9	-171.3	0	0	0	0	108.7	F514 Y591 L595	F514-V517 HydrophobicContact CD1-CG2 4.13Å; F514-V517 PolarHBondContact O-N 2.88Å; F514-V517 VanDerWaalsContact O-N 3.15Å; V517-Y591 PolarHBondContact O-OH 2.95Å; V517-L595 HydrophobicContact CB-CD2 4.23Å; V517-L595 HydrophobicContact CG1-CD2 4.21Å
518	R	69.7	Low	79.8	Confident	119 Å²	119	86.3 Å²	86.3	45%	0.449	41%	0.407	S	S	.	.			trans	-124.6	111.4	175.6	-61.2	-173.6	-165.7	-170.7	2.4	108.8	S515 K516 Y591	S515-R518 PolarHBondContact O-NE 3.3Å; K516-R518 PolarHBondContact O-N 3.37Å; R518-Y591 WeakPolarHBondContact CA-OH 3.22Å
519	I	71.7	Confident	80.4	Confident	85 Å²	85	78.5 Å²	78.5	44%	0.436	38%	0.377	S	S	.	.			trans	-84.6	119.9	173.4	-58	172.8	0	0	0	107	F550 Y561 Y591	I519-F550 HydrophobicContact CD1-CE2 4.46Å; I519-Y561 PolarHBondContact O-OH 3.08Å; I519-Y591 HydrophobicContact CD1-CD2 4.01Å; I519-Y591 HydrophobicContact CD1-CE2 3.79Å; I519-Y591 HydrophobicContact CG1-CE2 4.05Å; I519-Y591 PolarHBondContact N-OH 2.99Å
520	S	81.6	Confident	81.1	Confident	59 Å²	59	75.3 Å²	75.3	41%	0.413	36%	0.36	S	S	.	.			trans	-133.8	124.5	166.5	-167.4	0	0	0	0	108.4	F549	S520-F549 CarbonylContact C-O 3.54Å; S520-F549 VanDerWaalsContact CA-O 3.28Å; S520-F549 WeakPolarHBondContact CA-O 3.41Å; S520-F549 PolarHBondContact OG-N 3.39Å; S520-F549 VanDerWaalsContact OG-N 3.14Å
521	S	83.1	Confident	82	Confident	20 Å²	20	80 Å²	80	14%	0.14	39%	0.386	C	S	.	.			trans	-70.4	164.4	167.8	-52.8	0	0	0	0	109.8	F549 T551	S521-F549 PolarHBondContact N-O 3.47Å; S521-T551 VanDerWaalsContact OG-CG2 3.29Å; S521-T551 WeakPolarHBondContact OG-CG2 3.22Å; S521-T551 PolarHBondContact OG-OG1 3.24Å
522	K	89.2	Confident	83	Confident	147 Å²	147	82 Å²	82	64%	0.639	39%	0.393	S	S	*	.			trans	-79.4	156.9	177.6	-57.1	-177.8	172.1	-177.6	0	110.5	E524 D525	K522-E524 VanDerWaalsContact C-N 3.28Å; K522-E524 WeakPolarHBondContact CB-OE2 3.49Å; K522-E524 PolarHBondContact O-N 2.61Å; K522-D525 PolarHBondContact O-N 3.23Å
523	I	91.4	Very high	83.8	Confident	57 Å²	57	77.7 Å²	77.7	29%	0.292	38%	0.376	S	S	.	.	H	α-helix	trans	-64.7	-36.6	-180	-68.1	171.4	0	0	0	110.4	D525 C526 E527 I542 Y543 F549	I523-D525 VanDerWaalsContact C-N 3.28Å; I523-D525 PolarHBondContact O-N 3.03Å; I523-C526 WeakPolarHBondContact O-CA 3.25Å; I523-C526 WeakPolarHBondContact O-CB 3.41Å; I523-C526 PolarHBondContact O-N 3.29Å; I523-E527 HydrophobicContact CG2-CG 4.18Å; I523-E527 PolarHBondContact O-N 3.24Å; I523-I542 HydrophobicContact CG2-CD1 4.48Å; I523-Y543 HydrophobicContact CG2-CD1 4.35Å; I523-Y543 HydrophobicContact CG2-CE1 4.09Å; I523-F549 HydrophobicContact CD1-CE2 4.25Å; I523-F549 HydrophobicContact CG1-CD2 4.24Å; I523-F549 HydrophobicContact CG1-CE2 3.42Å; I523-F549 VanDerWaalsContact CG1-CE2 3.42Å; I523-F549 HydrophobicContact CG1-CZ 4Å
524	E	92.4	Very high	84.6	Confident	119 Å²	119	72.6 Å²	72.6	56%	0.556	36%	0.359	S	S	*	.	H	α-helix	trans	-61.6	-36.4	-178.3	-56.8	82.4	-175.4	0	0	112.2	K522 C526 E527 E528	K522-E524 VanDerWaalsContact C-N 3.28Å; K522-E524 WeakPolarHBondContact CB-OE2 3.49Å; K522-E524 PolarHBondContact O-N 2.61Å; E524-C526 VanDerWaalsContact C-N 3.26Å; E524-C526 PolarHBondContact O-N 2.97Å; E524-E527 PolarHBondContact O-N 3.49Å; E524-E528 PolarHBondContact O-N 3.43Å; E524-E528 VanDerWaalsContact O-N 3.09Å
525	D	92.2	Very high	85.7	Confident	31 Å²	31	70.9 Å²	70.9	17%	0.166	35%	0.354	C	S	.	.	H	α-helix	trans	-63.1	-34.8	174.3	-68.3	-38.4	0	0	0	111.1	K522 I523 I529 K555	K522-D525 PolarHBondContact O-N 3.23Å; I523-D525 VanDerWaalsContact C-N 3.28Å; I523-D525 PolarHBondContact O-N 3.03Å; D525-I529 WeakPolarHBondContact O-CD1 3.3Å; D525-I529 VanDerWaalsContact O-CG1 3.28Å; D525-I529 WeakPolarHBondContact O-CG1 3.29Å; D525-I529 PolarHBondContact O-N 3.48Å; D525-K555 IonicContact OD1-NZ 3.78Å; D525-K555 PolarHBondContact OD1-NZ 2.93Å; D525-K555 IonicContact OD2-NZ 3.7Å; D525-K555 PolarHBondContact OD2-NZ 2.94Å
526	C	93.9	Very high	87	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-76.3	-36.6	179.8	-61.3	0	0	0	0	111.8	I523 E524 I529 I530 F549 F558	I523-C526 WeakPolarHBondContact O-CA 3.25Å; I523-C526 WeakPolarHBondContact O-CB 3.41Å; I523-C526 PolarHBondContact O-N 3.29Å; E524-C526 VanDerWaalsContact C-N 3.26Å; E524-C526 PolarHBondContact O-N 2.97Å; C526-I529 PolarHBondContact O-N 3.26Å; C526-I530 WeakPolarHBondContact O-CG1 3.18Å; C526-I530 PolarHBondContact O-N 3.28Å; C526-F549 VanDerWaalsContact SG-CG 3.6Å; C526-F558 HydrophobicContact CB-CD1 4.29Å; C526-F558 HydrophobicContact CB-CD2 4.29Å; C526-F558 HydrophobicContact CB-CE1 3.91Å; C526-F558 HydrophobicContact CB-CE2 3.91Å; C526-F558 HydrophobicContact CB-CG 4.46Å; C526-F558 HydrophobicContact CB-CZ 3.7Å
527	E	94.1	Very high	88.5	Confident	54 Å²	54	60.7 Å²	60.7	25%	0.252	30%	0.303	S	S	.	.	H	α-helix	trans	-60.3	-45.2	172.8	-68.5	175.4	170.6	0	0	111.1	I523 E524 I529 I530 N531 I542 Y543	I523-E527 HydrophobicContact CG2-CG 4.18Å; I523-E527 PolarHBondContact O-N 3.24Å; E524-E527 PolarHBondContact O-N 3.49Å; E527-I529 VanDerWaalsContact C-N 3.35Å; E527-I529 PolarHBondContact O-N 3.46Å; E527-I530 PolarHBondContact O-N 3.48Å; E527-N531 WeakPolarHBondContact O-CB 3.32Å; E527-N531 PolarHBondContact O-N 2.94Å; E527-N531 PolarHBondContact O-ND2 3.32Å; E527-N531 VanDerWaalsContact O-ND2 3.17Å; E527-I542 HydrophobicContact CG-CD1 4.34Å; E527-Y543 HydrophobicContact CG-CE1 4.35Å; E527-Y543 VanDerWaalsContact OE1-CE1 3.23Å; E527-Y543 WeakPolarHBondContact OE1-CE1 3.46Å; E527-Y543 PolarHBondContact OE1-OH 2.85Å
528	E	94.2	Very high	90	Very high	127 Å²	127	59 Å²	59	59%	0.593	29%	0.292	S	S	*	.	H	α-helix	trans	-59.6	-44.6	177.3	-171.1	173.5	-168.7	0	0	111.6	E524 N531 Q532	E524-E528 PolarHBondContact O-N 3.43Å; E524-E528 VanDerWaalsContact O-N 3.09Å; E528-N531 PolarHBondContact O-N 3.48Å; E528-Q532 WeakPolarHBondContact O-CB 3.46Å; E528-Q532 PolarHBondContact O-N 3.32Å
529	I	95.3	Very high	91.2	Very high	3 Å²	3	53.5 Å²	53.5	2%	0.015	27%	0.271	C	S	.	.	H	α-helix	trans	-61.5	-46.4	176.3	-66.2	165.6	0	0	0	111.3	D525 C526 E527 N531 Q532 Y533 T551 K555 T556 F558 G576	D525-I529 WeakPolarHBondContact O-CD1 3.3Å; D525-I529 VanDerWaalsContact O-CG1 3.28Å; D525-I529 WeakPolarHBondContact O-CG1 3.29Å; D525-I529 PolarHBondContact O-N 3.48Å; C526-I529 PolarHBondContact O-N 3.26Å; E527-I529 VanDerWaalsContact C-N 3.35Å; E527-I529 PolarHBondContact O-N 3.46Å; I529-N531 VanDerWaalsContact C-N 3.34Å; I529-N531 PolarHBondContact O-N 3.44Å; I529-Q532 PolarHBondContact O-N 3.05Å; I529-Y533 HydrophobicContact CG2-CD2 4.13Å; I529-Y533 PolarHBondContact O-N 3.07Å; I529-T551 HydrophobicContact CD1-CG2 4.32Å; I529-K555 WeakPolarHBondContact CD1-O 3.38Å; I529-K555 WeakPolarHBondContact CG1-O 3.39Å; I529-T556 WeakPolarHBondContact CG2-O 3.22Å; I529-F558 HydrophobicContact CB-CD1 4.09Å; I529-F558 HydrophobicContact CB-CE1 4.18Å; I529-F558 HydrophobicContact CD1-CB 4.33Å; I529-F558 HydrophobicContact CD1-CD1 3.78Å; I529-F558 HydrophobicContact CD1-CG 4.47Å; I529-F558 HydrophobicContact CG2-CD1 3.87Å; I529-F558 HydrophobicContact CG2-CE1 4.06Å; I529-G576 VanDerWaalsContact CG2-CA 3.42Å
530	I	95	Very high	92.3	Very high	6 Å²	6	49.7 Å²	49.7	3%	0.031	25%	0.252	C	S	.	.	H	α-helix	trans	-63.3	-42	179.3	-70	165.4	0	0	0	110.8	C526 E527 Q532 G534 I542 F558 Y723	C526-I530 WeakPolarHBondContact O-CG1 3.18Å; C526-I530 PolarHBondContact O-N 3.28Å; E527-I530 PolarHBondContact O-N 3.48Å; I530-Q532 VanDerWaalsContact C-N 3.31Å; I530-Q532 PolarHBondContact O-N 2.92Å; I530-G534 CarbonylContact O-C 3.59Å; I530-G534 WeakPolarHBondContact O-CA 3.46Å; I530-G534 PolarHBondContact O-N 2.88Å; I530-I542 HydrophobicContact CD1-CD1 3.77Å; I530-F558 HydrophobicContact CD1-CE1 4.36Å; I530-F558 HydrophobicContact CD1-CZ 3.99Å; I530-F558 HydrophobicContact CG1-CE1 4.03Å; I530-F558 HydrophobicContact CG1-CZ 4.14Å; I530-Y723 HydrophobicContact CG2-CD1 4.5Å; I530-Y723 HydrophobicContact CG2-CD2 3.65Å; I530-Y723 HydrophobicContact CG2-CE2 4.37Å; I530-Y723 HydrophobicContact CG2-CG 3.73Å
531	N	93.3	Very high	92.9	Very high	112 Å²	112	47 Å²	47	60%	0.599	23%	0.233	S	C	*	.	H	α-helix	trans	-65.6	-35.2	179.4	-72.3	-29.5	0	0	0	112.2	E527 E528 I529	E527-N531 WeakPolarHBondContact O-CB 3.32Å; E527-N531 PolarHBondContact O-N 2.94Å; E527-N531 PolarHBondContact O-ND2 3.32Å; E527-N531 VanDerWaalsContact O-ND2 3.17Å; E528-N531 PolarHBondContact O-N 3.48Å; I529-N531 VanDerWaalsContact C-N 3.34Å; I529-N531 PolarHBondContact O-N 3.44Å
532	Q	94.3	Very high	93.5	Very high	128 Å²	128	46.1 Å²	46.1	60%	0.598	23%	0.227	S	C	*	.	H	α-helix	trans	-81.7	-42	-178.3	-176.3	176.6	-6.4	0	0	113.5	E528 I529 I530	E528-Q532 WeakPolarHBondContact O-CB 3.46Å; E528-Q532 PolarHBondContact O-N 3.32Å; I529-Q532 PolarHBondContact O-N 3.05Å; I530-Q532 VanDerWaalsContact C-N 3.31Å; I530-Q532 PolarHBondContact O-N 2.92Å
533	Y	94.1	Very high	93.7	Very high	86 Å²	86	41 Å²	41	34%	0.337	20%	0.203	S	C	.	.	H	α-helix	trans	-111.7	-8.1	-170.2	-64.5	-79.6	0	0	0	114	I529 D577	I529-Y533 HydrophobicContact CG2-CD2 4.13Å; I529-Y533 PolarHBondContact O-N 3.07Å; Y533-D577 HydrophobicContact CD1-CB 3.89Å; Y533-D577 HydrophobicContact CE1-CB 3.59Å; Y533-D577 HydrophobicContact CG-CB 4.48Å
534	G	92.4	Very high	93.7	Very high	25 Å²	25	38.4 Å²	38.4	26%	0.258	19%	0.191	S	C	.	.			trans	90.6	170.6	-173.8	0	0	0	0	0	113.4	I530	I530-G534 CarbonylContact O-C 3.59Å; I530-G534 WeakPolarHBondContact O-CA 3.46Å; I530-G534 PolarHBondContact O-N 2.88Å
535	G	92.6	Very high	93.5	Very high	9 Å²	9	35.6 Å²	35.6	9%	0.093	19%	0.194	C	C	.	.			trans	-114.1	-162.1	-179	0	0	0	0	0	114.1	S539 T722 Y723 F724	G535-S539 WeakPolarHBondContact CA-OG 3.48Å; G535-T722 CarbonylContact C-O 3.49Å; G535-T722 WeakPolarHBondContact CA-O 3.45Å; G535-Y723 PolarHBondContact N-O 3.43Å; G535-F724 WeakPolarHBondContact O-CB 3.46Å; G535-F724 WeakPolarHBondContact O-CD2 3.5Å
536	N	93.2	Very high	93.5	Very high	26 Å²	26	35 Å²	35	14%	0.139	19%	0.19	C	C	.	.			trans	-138.8	179	166.5	67.5	36.4	0	0	0	109.3	L538 S539 L575 T722	N536-L538 PolarHBondContact O-N 2.91Å; N536-L538 WeakPolarHBondContact OD1-CA 3.43Å; N536-L538 WeakPolarHBondContact OD1-CB 3.36Å; N536-L538 PolarHBondContact OD1-N 3.33Å; N536-S539 PolarHBondContact N-OG 2.82Å; N536-S539 WeakPolarHBondContact O-CB 3.49Å; N536-S539 PolarHBondContact O-N 3.21Å; N536-S539 PolarHBondContact O-OG 3.49Å; N536-S539 PolarHBondContact OD1-N 3.21Å; N536-S539 VanDerWaalsContact OD1-N 3.17Å; N536-L575 HydrophobicContact CB-CD2 4.12Å; N536-L575 VanDerWaalsContact ND2-CD2 3.33Å; N536-L575 WeakPolarHBondContact ND2-CD2 3.41Å; N536-T722 PolarHBondContact N-O 3.08Å
537	Y	93.3	Very high	93.4	Very high	10 Å²	10	35.6 Å²	35.6	4%	0.039	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-18.4	-177.6	-59	-51.2	0	0	0	115	E625 I627 T722 F724 A727 N764 R816	Y537-E625 WeakPolarHBondContact CD2-OE2 3.23Å; Y537-I627 HydrophobicContact CD2-CD1 4.43Å; Y537-I627 HydrophobicContact CE1-CD1 4.4Å; Y537-I627 HydrophobicContact CE2-CD1 3.77Å; Y537-I627 HydrophobicContact CE2-CG1 4.47Å; Y537-T722 HydrophobicContact CD1-CG2 4.05Å; Y537-F724 HydrophobicContact CD1-CD1 4.24Å; Y537-F724 AromaticContact CE1-CD1 3.82Å; Y537-F724 HydrophobicContact CE1-CD1 3.82Å; Y537-F724 HydrophobicContact CE1-CE1 4.28Å; Y537-F724 HydrophobicContact CE2-CE1 4.29Å; Y537-F724 AromaticContact CZ-CD1 3.99Å; Y537-F724 AromaticContact CZ-CE1 3.95Å; Y537-A727 HydrophobicContact CD1-CB 4.39Å; Y537-A727 HydrophobicContact CE1-CB 3.71Å; Y537-N764 VanDerWaalsContact CB-ND2 3.28Å; Y537-N764 WeakPolarHBondContact CB-ND2 3.44Å; Y537-N764 HydrophobicContact CD1-CB 4.08Å; Y537-N764 WeakPolarHBondContact CD2-ND2 3.38Å; Y537-N764 HydrophobicContact CE1-CB 4.32Å; Y537-N764 HydrophobicContact CG-CB 4.42Å; Y537-R816 VanDerWaalsContact CD2-NH2 3.34Å
538	L	93.8	Very high	93.4	Very high	17 Å²	17	34.8 Å²	34.8	9%	0.089	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-4.5	-179.1	-56.6	174.5	0	0	0	112.4	N536 H540 L541 M560 L571 Q603	N536-L538 PolarHBondContact O-N 2.91Å; N536-L538 WeakPolarHBondContact OD1-CA 3.43Å; N536-L538 WeakPolarHBondContact OD1-CB 3.36Å; N536-L538 PolarHBondContact OD1-N 3.33Å; L538-H540 VanDerWaalsContact C-N 3.26Å; L538-H540 PolarHBondContact O-N 2.84Å; L538-L541 HydrophobicContact CB-CD1 4.39Å; L538-L541 HydrophobicContact CD2-CD1 4.07Å; L538-L541 VanDerWaalsContact O-CB 3.32Å; L538-L541 WeakPolarHBondContact O-CB 3.24Å; L538-L541 PolarHBondContact O-N 3.37Å; L538-M560 HydrophobicContact CB-CE 3.6Å; L538-L571 HydrophobicContact CD1-CD1 4.14Å; L538-L571 HydrophobicContact CD1-CG 4.08Å; L538-Q603 HydrophobicContact CD1-CB 4.08Å
539	S	94.3	Very high	93.4	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.014	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-54.3	-37.6	-175.2	-77.3	0	0	0	0	113.7	G535 N536 L541 I542 L575	G535-S539 WeakPolarHBondContact CA-OG 3.48Å; N536-S539 PolarHBondContact N-OG 2.82Å; N536-S539 WeakPolarHBondContact O-CB 3.49Å; N536-S539 PolarHBondContact O-N 3.21Å; N536-S539 PolarHBondContact O-OG 3.49Å; N536-S539 PolarHBondContact OD1-N 3.21Å; N536-S539 VanDerWaalsContact OD1-N 3.17Å; S539-L541 PolarHBondContact O-N 3.22Å; S539-L541 VanDerWaalsContact O-N 3.12Å; S539-I542 WeakPolarHBondContact O-CG1 3.41Å; S539-I542 WeakPolarHBondContact O-CG2 3.29Å; S539-I542 PolarHBondContact O-N 2.99Å; S539-L575 VanDerWaalsContact OG-CD2 3.27Å; S539-L575 WeakPolarHBondContact OG-CD2 3.35Å
540	H	94.7	Very high	93.4	Very high	6 Å²	6	29.8 Å²	29.8	3%	0.028	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-63.5	-21	-179.4	-166.9	71.6	0	0	0	113.1	L538 I542 Y543 Y697 K700 M720	L538-H540 VanDerWaalsContact C-N 3.26Å; L538-H540 PolarHBondContact O-N 2.84Å; H540-I542 PolarHBondContact O-N 3.08Å; H540-I542 VanDerWaalsContact O-N 3.11Å; H540-Y543 AromaticContact CE1-CD2 3.7Å; H540-Y543 AromaticContact ND1-CD2 3.71Å; H540-Y543 AromaticContact ND1-CE2 3.86Å; H540-Y543 VanDerWaalsContact O-CD2 3.25Å; H540-Y543 WeakPolarHBondContact O-CD2 3.48Å; H540-Y543 PolarHBondContact O-N 3.46Å; H540-Y697 AromaticContact CD2-CE2 3.77Å; H540-Y697 AromaticContact NE2-CE2 3.93Å; H540-K700 PolarHBondContact CE1-O 3.4Å; H540-M720 HydrophobicContact CB-CB 3.82Å; H540-M720 HydrophobicContact CB-CE 3.72Å; H540-M720 HydrophobicContact CB-CG 4.14Å
541	L	94.6	Very high	93.4	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.01	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-69.9	-6.8	-179.9	-64.7	173.5	0	0	0	113.5	L538 S539 Y543 S544 K547 L571 Y697 M720	L538-L541 HydrophobicContact CB-CD1 4.39Å; L538-L541 HydrophobicContact CD2-CD1 4.07Å; L538-L541 VanDerWaalsContact O-CB 3.32Å; L538-L541 WeakPolarHBondContact O-CB 3.24Å; L538-L541 PolarHBondContact O-N 3.37Å; S539-L541 PolarHBondContact O-N 3.22Å; S539-L541 VanDerWaalsContact O-N 3.12Å; L541-Y543 PolarHBondContact O-N 3.18Å; L541-S544 PolarHBondContact O-N 3.32Å; L541-S544 PolarHBondContact O-OG 3.1Å; L541-K547 WeakPolarHBondContact O-CE 3.17Å; L541-K547 PolarHBondContact O-NZ 3.34Å; L541-L571 HydrophobicContact CB-CD2 4.24Å; L541-L571 HydrophobicContact CD1-CD2 3.68Å; L541-Y697 WeakPolarHBondContact CD2-OH 3.18Å; L541-M720 HydrophobicContact CD1-CE 4.33Å; L541-M720 HydrophobicContact CD2-CE 3.81Å; L541-M720 HydrophobicContact CG-CE 3.6Å
542	I	94.6	Very high	93.4	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.01	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-55.8	-29.4	170.1	67.1	178.4	0	0	0	111.9	I523 E527 I530 S539 H540 S544 F549 F558 M560	I523-I542 HydrophobicContact CG2-CD1 4.48Å; E527-I542 HydrophobicContact CG-CD1 4.34Å; I530-I542 HydrophobicContact CD1-CD1 3.77Å; S539-I542 WeakPolarHBondContact O-CG1 3.41Å; S539-I542 WeakPolarHBondContact O-CG2 3.29Å; S539-I542 PolarHBondContact O-N 2.99Å; H540-I542 PolarHBondContact O-N 3.08Å; H540-I542 VanDerWaalsContact O-N 3.11Å; I542-S544 PolarHBondContact O-N 3.34Å; I542-F549 HydrophobicContact CB-CE1 3.81Å; I542-F549 HydrophobicContact CB-CZ 3.94Å; I542-F549 HydrophobicContact CG2-CE1 3.71Å; I542-F549 HydrophobicContact CG2-CZ 4.36Å; I542-F558 HydrophobicContact CG2-CE2 4.2Å; I542-F558 HydrophobicContact CG2-CZ 4.32Å; I542-M560 HydrophobicContact CG2-SD 4.31Å
543	Y	94.1	Very high	93.1	Very high	38 Å²	38	28.1 Å²	28.1	15%	0.149	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-81.7	-9.4	-176.5	-60.4	-58.4	0	0	0	115.3	I523 E527 H540 L541 G545 K700	I523-Y543 HydrophobicContact CG2-CD1 4.35Å; I523-Y543 HydrophobicContact CG2-CE1 4.09Å; E527-Y543 HydrophobicContact CG-CE1 4.35Å; E527-Y543 VanDerWaalsContact OE1-CE1 3.23Å; E527-Y543 WeakPolarHBondContact OE1-CE1 3.46Å; E527-Y543 PolarHBondContact OE1-OH 2.85Å; H540-Y543 AromaticContact CE1-CD2 3.7Å; H540-Y543 AromaticContact ND1-CD2 3.71Å; H540-Y543 AromaticContact ND1-CE2 3.86Å; H540-Y543 VanDerWaalsContact O-CD2 3.25Å; H540-Y543 WeakPolarHBondContact O-CD2 3.48Å; H540-Y543 PolarHBondContact O-N 3.46Å; L541-Y543 PolarHBondContact O-N 3.18Å; Y543-G545 PolarHBondContact O-N 2.86Å; Y543-G545 VanDerWaalsContact O-N 3.08Å; Y543-K700 HydrophobicContact CD1-CD 4.03Å; Y543-K700 HydrophobicContact CD1-CG 3.94Å; Y543-K700 HydrophobicContact CD2-CB 3.91Å; Y543-K700 HydrophobicContact CD2-CG 4.12Å; Y543-K700 HydrophobicContact CE1-CD 4.22Å; Y543-K700 HydrophobicContact CE2-CB 4.39Å; Y543-K700 HydrophobicContact CG-CB 4.03Å; Y543-K700 HydrophobicContact CG-CD 4.29Å; Y543-K700 HydrophobicContact CG-CG 3.72Å
544	S	91.5	Very high	92.9	Very high	4 Å²	4	29.5 Å²	29.5	3%	0.028	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-67.3	-6.5	-178.8	57.9	0	0	0	0	114.9	L541 I542 D546 K547	L541-S544 PolarHBondContact O-N 3.32Å; L541-S544 PolarHBondContact O-OG 3.1Å; I542-S544 PolarHBondContact O-N 3.34Å; S544-D546 PolarHBondContact O-N 3.45Å; S544-D546 PolarHBondContact OG-OD1 2.94Å; S544-D546 VanDerWaalsContact OG-OD1 3.05Å; S544-K547 PolarHBondContact OG-NZ 2.96Å
545	G	88.7	Confident	92.9	Very high	60 Å²	60	33.1 Å²	33.1	62%	0.619	18%	0.178	S	C	*	.	S	Bend	trans	70.1	-0.3	174.6	0	0	0	0	0	115.9	Y543	Y543-G545 PolarHBondContact O-N 2.86Å; Y543-G545 VanDerWaalsContact O-N 3.08Å
546	D	91.1	Very high	93	Very high	17 Å²	17	34 Å²	34	9%	0.091	18%	0.181	C	C	.	.	S	Bend	trans	-102.8	-6	-175.6	89	-42.4	0	0	0	114.2	S544 R562 H687 F688	S544-D546 PolarHBondContact O-N 3.45Å; S544-D546 PolarHBondContact OG-OD1 2.94Å; S544-D546 VanDerWaalsContact OG-OD1 3.05Å; D546-R562 WeakPolarHBondContact O-CD 3.36Å; D546-R562 PolarHBondContact O-NE 3.37Å; D546-R562 IonicContact OD2-CZ 2.57Å; D546-R562 IonicContact OD2-NE 2.79Å; D546-R562 IonicContact OD2-NH1 3.22Å; D546-R562 PolarHBondContact OD2-NH1 3.42Å; D546-H687 WeakPolarHBondContact OD2-CB 3.46Å; D546-F688 WeakPolarHBondContact OD2-CA 3.47Å; D546-F688 PolarHBondContact OD2-N 3.21Å
547	K	92.4	Very high	93.2	Very high	14 Å²	14	32.7 Å²	32.7	6%	0.061	18%	0.175	C	C	.	.			trans	-106.1	159.2	-178.8	-78	171.7	-67.6	-68.8	0	112.5	L541 S544 M560 L571 F688	L541-K547 WeakPolarHBondContact O-CE 3.17Å; L541-K547 PolarHBondContact O-NZ 3.34Å; S544-K547 PolarHBondContact OG-NZ 2.96Å; K547-M560 HydrophobicContact CD-CB 4.19Å; K547-M560 HydrophobicContact CD-CG 4.39Å; K547-M560 HydrophobicContact CD-SD 4.11Å; K547-L571 HydrophobicContact CD-CB 4.35Å; K547-L571 HydrophobicContact CD-CD2 3.86Å; K547-F688 HydrophobicContact CD-CD2 4Å; K547-F688 HydrophobicContact CD-CE2 4.08Å; K547-F688 HydrophobicContact CG-CD2 3.76Å; K547-F688 HydrophobicContact CG-CE2 3.96Å; K547-F688 PolarHBondContact NZ-O 3.45Å
548	Q	93.8	Very high	93.3	Very high	37 Å²	37	32.2 Å²	32.2	17%	0.173	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	157.5	171.7	-55.5	-173	-77.1	0	0	108.9	M560 Y561	Q548-M560 WeakPolarHBondContact O-CA 3.49Å; Q548-Y561 HydrophobicContact CB-CD1 4.24Å; Q548-Y561 HydrophobicContact CB-CE1 3.75Å; Q548-Y561 HydrophobicContact CB-CE2 4.21Å; Q548-Y561 PolarHBondContact N-O 3.2Å; Q548-Y561 VanDerWaalsContact O-CD1 3.28Å; Q548-Y561 WeakPolarHBondContact O-CD1 3.15Å; Q548-Y561 PolarHBondContact O-N 3.4Å
549	F	95.2	Very high	93.5	Very high	7 Å²	7	31.5 Å²	31.5	3%	0.031	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	132.2	-175.4	-50.9	-71	0	0	0	111.1	S520 S521 I523 C526 I542 F558 L559 M560	S520-F549 CarbonylContact C-O 3.54Å; S520-F549 VanDerWaalsContact CA-O 3.28Å; S520-F549 WeakPolarHBondContact CA-O 3.41Å; S520-F549 PolarHBondContact OG-N 3.39Å; S520-F549 VanDerWaalsContact OG-N 3.14Å; S521-F549 PolarHBondContact N-O 3.47Å; I523-F549 HydrophobicContact CD1-CE2 4.25Å; I523-F549 HydrophobicContact CG1-CD2 4.24Å; I523-F549 HydrophobicContact CG1-CE2 3.42Å; I523-F549 VanDerWaalsContact CG1-CE2 3.42Å; I523-F549 HydrophobicContact CG1-CZ 4Å; C526-F549 VanDerWaalsContact SG-CG 3.6Å; I542-F549 HydrophobicContact CB-CE1 3.81Å; I542-F549 HydrophobicContact CB-CZ 3.94Å; I542-F549 HydrophobicContact CG2-CE1 3.71Å; I542-F549 HydrophobicContact CG2-CZ 4.36Å; F549-F558 HydrophobicContact CD1-CD2 4.16Å; F549-F558 HydrophobicContact CD1-CE2 4.09Å; F549-L559 CarbonylContact C-O 3.47Å; F549-L559 WeakPolarHBondContact CA-O 3.33Å; F549-M560 HydrophobicContact CD1-CB 4.04Å; F549-M560 HydrophobicContact CE1-CB 4.01Å
550	F	95.2	Very high	93.6	Very high	17 Å²	17	31.5 Å²	31.5	8%	0.075	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	109.6	175.3	-169.3	-87.7	0	0	0	108.9	I519 F558 L559 Y561 L584 A587 F588 Y591	I519-F550 HydrophobicContact CD1-CE2 4.46Å; F550-F558 CarbonylContact O-C 3.55Å; F550-F558 WeakPolarHBondContact O-CA 3.43Å; F550-F558 WeakPolarHBondContact O-CB 3.02Å; F550-L559 HydrophobicContact CB-CB 4.38Å; F550-L559 PolarHBondContact N-O 3.42Å; F550-L559 PolarHBondContact O-N 2.9Å; F550-Y561 HydrophobicContact CB-CD1 4.08Å; F550-Y561 HydrophobicContact CB-CE1 3.75Å; F550-L584 HydrophobicContact CD1-CD1 3.77Å; F550-L584 HydrophobicContact CE1-CD1 4.2Å; F550-A587 HydrophobicContact CE1-CB 3.96Å; F550-A587 HydrophobicContact CZ-CB 4.15Å; F550-F588 HydrophobicContact CB-CD2 3.99Å; F550-F588 HydrophobicContact CB-CE2 4.13Å; F550-F588 HydrophobicContact CD1-CB 4.11Å; F550-F588 AromaticContact CD1-CD2 3.75Å; F550-F588 HydrophobicContact CD1-CD2 3.75Å; F550-F588 HydrophobicContact CD1-CG 4.4Å; F550-F588 AromaticContact CD2-CD2 3.87Å; F550-F588 HydrophobicContact CD2-CD2 3.87Å; F550-F588 HydrophobicContact CD2-CE2 4.36Å; F550-F588 HydrophobicContact CE1-CB 3.95Å; F550-F588 HydrophobicContact CE1-CD2 4.17Å; F550-F588 HydrophobicContact CE2-CD2 4.27Å; F550-F588 AromaticContact CG-CD2 3.6Å; F550-F588 HydrophobicContact CG-CD2 3.6Å; F550-F588 HydrophobicContact CG-CE2 4.16Å; F550-F588 HydrophobicContact CZ-CB 4.47Å; F550-F588 HydrophobicContact CZ-CD2 4.41Å; F550-Y591 HydrophobicContact CD2-CD1 4.35Å; F550-Y591 AromaticContact CE2-CD1 4Å; F550-Y591 HydrophobicContact CE2-CD1 4Å; F550-Y591 HydrophobicContact CE2-CG 4.02Å
551	T	94.6	Very high	93.6	Very high	26 Å²	26	31.2 Å²	31.2	16%	0.16	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	153.4	179.5	54.3	0	0	0	0	111.2	S521 I529 A557 F558	S521-T551 VanDerWaalsContact OG-CG2 3.29Å; S521-T551 WeakPolarHBondContact OG-CG2 3.22Å; S521-T551 PolarHBondContact OG-OG1 3.24Å; I529-T551 HydrophobicContact CD1-CG2 4.32Å; T551-A557 WeakPolarHBondContact CA-O 3.2Å; T551-F558 HydrophobicContact CG2-CB 3.72Å
552	N	92.7	Very high	93.5	Very high	6 Å²	6	31.7 Å²	31.7	3%	0.032	17%	0.169	C	C	.	.			trans	-71.2	168.7	166.9	69.3	-34.5	0	0	0	111.2	N554 K555 T556 A557 L584	N552-N554 VanDerWaalsContact C-N 3.26Å; N552-N554 PolarHBondContact O-N 3.49Å; N552-K555 PolarHBondContact O-N 3.5Å; N552-K555 WeakPolarHBondContact OD1-CA 3.43Å; N552-K555 PolarHBondContact OD1-N 3.29Å; N552-K555 VanDerWaalsContact OD1-N 3.16Å; N552-T556 PolarHBondContact ND2-OG1 2.88Å; N552-T556 PolarHBondContact OD1-N 3.45Å; N552-A557 PolarHBondContact N-O 3.36Å; N552-A557 PolarHBondContact OD1-N 3.43Å; N552-A557 PolarHBondContact OD1-O 2.88Å; N552-A557 VanDerWaalsContact OD1-O 3.1Å; N552-L584 HydrophobicContact CB-CB 4.37Å; N552-L584 HydrophobicContact CB-CD1 4.15Å
553	E	88.9	Confident	93.2	Very high	179 Å²	179	34.1 Å²	34.1	84%	0.836	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-37.2	-176.9	-65.9	-170.6	169.2	0	0	112.4	K555	E553-K555 VanDerWaalsContact C-N 3.3Å; E553-K555 PolarHBondContact O-N 3.4Å
554	N	89.8	Confident	92.9	Very high	116 Å²	116	34.3 Å²	34.3	62%	0.62	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.9	0	179.2	-62.6	-32	0	0	0	114.1	N552 T556	N552-N554 VanDerWaalsContact C-N 3.26Å; N552-N554 PolarHBondContact O-N 3.49Å; N554-T556 VanDerWaalsContact C-N 3.26Å; N554-T556 HydrophobicContact CB-CG2 4.18Å; N554-T556 PolarHBondContact O-N 2.94Å
555	K	91.3	Very high	92.4	Very high	100 Å²	100	36 Å²	36	44%	0.435	19%	0.194	S	C	.	.	S	Bend	trans	50.3	39.3	-176.1	-60.1	-174.4	172.4	-166.4	0	114.6	D525 I529 N552 E553	D525-K555 IonicContact OD1-NZ 3.78Å; D525-K555 PolarHBondContact OD1-NZ 2.93Å; D525-K555 IonicContact OD2-NZ 3.7Å; D525-K555 PolarHBondContact OD2-NZ 2.94Å; I529-K555 WeakPolarHBondContact CD1-O 3.38Å; I529-K555 WeakPolarHBondContact CG1-O 3.39Å; N552-K555 PolarHBondContact O-N 3.5Å; N552-K555 WeakPolarHBondContact OD1-CA 3.43Å; N552-K555 PolarHBondContact OD1-N 3.29Å; N552-K555 VanDerWaalsContact OD1-N 3.16Å; E553-K555 VanDerWaalsContact C-N 3.3Å; E553-K555 PolarHBondContact O-N 3.4Å
556	T	95.1	Very high	92.1	Very high	27 Å²	27	35.6 Å²	35.6	17%	0.166	18%	0.182	C	C	.	.	S	Bend	trans	-101.6	-15.8	176.3	58.4	0	0	0	0	113.2	I529 N552 N554 G576 D577 A580	I529-T556 WeakPolarHBondContact CG2-O 3.22Å; N552-T556 PolarHBondContact ND2-OG1 2.88Å; N552-T556 PolarHBondContact OD1-N 3.45Å; N554-T556 VanDerWaalsContact C-N 3.26Å; N554-T556 HydrophobicContact CB-CG2 4.18Å; N554-T556 PolarHBondContact O-N 2.94Å; T556-G576 CarbonylContact O-C 3.54Å; T556-G576 VanDerWaalsContact O-CA 3.31Å; T556-G576 WeakPolarHBondContact O-CA 3.47Å; T556-D577 PolarHBondContact O-N 3.38Å; T556-A580 WeakPolarHBondContact OG1-CB 3.35Å
557	A	96.6	Very high	92.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	152.9	177.1	0	0	0	0	0	111.8	T551 N552 L575 A580 F581 L584	T551-A557 WeakPolarHBondContact CA-O 3.2Å; N552-A557 PolarHBondContact N-O 3.36Å; N552-A557 PolarHBondContact OD1-N 3.43Å; N552-A557 PolarHBondContact OD1-O 2.88Å; N552-A557 VanDerWaalsContact OD1-O 3.1Å; A557-L575 CarbonylContact C-O 3.54Å; A557-L575 WeakPolarHBondContact CA-O 3.41Å; A557-L575 WeakPolarHBondContact CB-O 3.48Å; A557-A580 HydrophobicContact CB-CB 3.98Å; A557-F581 HydrophobicContact CB-CD1 4Å; A557-F581 HydrophobicContact CB-CE1 4Å; A557-L584 HydrophobicContact CB-CD2 3.88Å
558	F	97	Very high	92.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	163.7	179.7	77	-83.8	0	0	0	114.5	C526 I529 I530 I542 F549 F550 T551 M560 L575	C526-F558 HydrophobicContact CB-CD1 4.29Å; C526-F558 HydrophobicContact CB-CD2 4.29Å; C526-F558 HydrophobicContact CB-CE1 3.91Å; C526-F558 HydrophobicContact CB-CE2 3.91Å; C526-F558 HydrophobicContact CB-CG 4.46Å; C526-F558 HydrophobicContact CB-CZ 3.7Å; I529-F558 HydrophobicContact CB-CD1 4.09Å; I529-F558 HydrophobicContact CB-CE1 4.18Å; I529-F558 HydrophobicContact CD1-CB 4.33Å; I529-F558 HydrophobicContact CD1-CD1 3.78Å; I529-F558 HydrophobicContact CD1-CG 4.47Å; I529-F558 HydrophobicContact CG2-CD1 3.87Å; I529-F558 HydrophobicContact CG2-CE1 4.06Å; I530-F558 HydrophobicContact CD1-CE1 4.36Å; I530-F558 HydrophobicContact CD1-CZ 3.99Å; I530-F558 HydrophobicContact CG1-CE1 4.03Å; I530-F558 HydrophobicContact CG1-CZ 4.14Å; I542-F558 HydrophobicContact CG2-CE2 4.2Å; I542-F558 HydrophobicContact CG2-CZ 4.32Å; F549-F558 HydrophobicContact CD1-CD2 4.16Å; F549-F558 HydrophobicContact CD1-CE2 4.09Å; F550-F558 CarbonylContact O-C 3.55Å; F550-F558 WeakPolarHBondContact O-CA 3.43Å; F550-F558 WeakPolarHBondContact O-CB 3.02Å; T551-F558 HydrophobicContact CG2-CB 3.72Å; F558-M560 HydrophobicContact CE2-CB 4.49Å; F558-L575 HydrophobicContact CD1-CB 3.92Å; F558-L575 HydrophobicContact CE1-CB 3.47Å; F558-L575 VanDerWaalsContact CE1-CB 3.47Å; F558-L575 HydrophobicContact CE1-CD1 4.07Å; F558-L575 HydrophobicContact CE1-CG 4.4Å; F558-L575 HydrophobicContact CE2-CB 4.35Å; F558-L575 HydrophobicContact CE2-CD1 3.81Å; F558-L575 HydrophobicContact CZ-CB 3.71Å; F558-L575 HydrophobicContact CZ-CD1 3.39Å; F558-L575 HydrophobicContact CZ-CG 4.18Å; F558-L575 PolarHBondContact N-O 2.84Å; F558-L575 PolarHBondContact O-N 3.44Å
559	L	97	Very high	92.2	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	134.8	170.9	-56.3	173.4	0	0	0	109.4	F549 F550 V570 P574 L584 L585 F588 F601	F549-L559 CarbonylContact C-O 3.47Å; F549-L559 WeakPolarHBondContact CA-O 3.33Å; F550-L559 HydrophobicContact CB-CB 4.38Å; F550-L559 PolarHBondContact N-O 3.42Å; F550-L559 PolarHBondContact O-N 2.9Å; L559-V570 HydrophobicContact CB-CG1 4.19Å; L559-V570 HydrophobicContact CD2-CG1 4.18Å; L559-P574 HydrophobicContact CD2-CB 3.74Å; L559-P574 HydrophobicContact CD2-CG 3.7Å; L559-L584 HydrophobicContact CD1-CG 4.42Å; L559-L584 HydrophobicContact CD2-CD2 4.03Å; L559-L584 HydrophobicContact CG-CD1 4.45Å; L559-L584 HydrophobicContact CG-CD2 3.93Å; L559-L584 HydrophobicContact CG-CG 4.12Å; L559-L585 HydrophobicContact CD1-CD2 4.18Å; L559-L585 HydrophobicContact CD2-CD2 4.27Å; L559-F588 HydrophobicContact CD1-CB 3.79Å; L559-F588 HydrophobicContact CD1-CD1 3.62Å; L559-F588 HydrophobicContact CD1-CD2 3.73Å; L559-F588 HydrophobicContact CD1-CE1 4.02Å; L559-F588 HydrophobicContact CD1-CE2 4.12Å; L559-F588 HydrophobicContact CD1-CG 3.44Å; L559-F588 VanDerWaalsContact CD1-CG 3.44Å; L559-F588 HydrophobicContact CD1-CZ 4.24Å; L559-F601 HydrophobicContact CD2-CE1 4.46Å
560	M	95.7	Very high	92.3	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.01	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	122.5	165	57.3	171.8	170.4	0	0	109.8	L538 I542 K547 Q548 F549 F558 V570 L571 L575	L538-M560 HydrophobicContact CB-CE 3.6Å; I542-M560 HydrophobicContact CG2-SD 4.31Å; K547-M560 HydrophobicContact CD-CB 4.19Å; K547-M560 HydrophobicContact CD-CG 4.39Å; K547-M560 HydrophobicContact CD-SD 4.11Å; Q548-M560 WeakPolarHBondContact O-CA 3.49Å; F549-M560 HydrophobicContact CD1-CB 4.04Å; F549-M560 HydrophobicContact CE1-CB 4.01Å; F558-M560 HydrophobicContact CE2-CB 4.49Å; M560-V570 WeakPolarHBondContact O-CA 3.28Å; M560-L571 HydrophobicContact CE-CB 4.1Å; M560-L571 HydrophobicContact CE-CD2 3.86Å; M560-L571 HydrophobicContact CE-CG 3.85Å; M560-L571 VanDerWaalsContact CE-O 3.27Å; M560-L571 WeakPolarHBondContact CE-O 3.19Å; M560-L571 HydrophobicContact CG-CB 4.13Å; M560-L571 WeakPolarHBondContact CG-O 3.24Å; M560-L571 PolarHBondContact O-N 3.26Å; M560-L571 HydrophobicContact SD-CB 4.28Å; M560-L571 HydrophobicContact SD-CD2 3.95Å; M560-L571 HydrophobicContact SD-CG 4.38Å; M560-L575 HydrophobicContact CE-CD1 4.47Å
561	Y	95.3	Very high	92.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	166	-171.5	77.7	-81.3	0	0	0	112.1	I519 Q548 F550 L568 V569 F588	I519-Y561 PolarHBondContact O-OH 3.08Å; Q548-Y561 HydrophobicContact CB-CD1 4.24Å; Q548-Y561 HydrophobicContact CB-CE1 3.75Å; Q548-Y561 HydrophobicContact CB-CE2 4.21Å; Q548-Y561 PolarHBondContact N-O 3.2Å; Q548-Y561 VanDerWaalsContact O-CD1 3.28Å; Q548-Y561 WeakPolarHBondContact O-CD1 3.15Å; Q548-Y561 PolarHBondContact O-N 3.4Å; F550-Y561 HydrophobicContact CB-CD1 4.08Å; F550-Y561 HydrophobicContact CB-CE1 3.75Å; Y561-L568 HydrophobicContact CD2-CB 4.29Å; Y561-L568 HydrophobicContact CD2-CD2 3.95Å; Y561-L568 HydrophobicContact CE2-CD2 3.7Å; Y561-V569 CarbonylContact C-O 3.45Å; Y561-V569 WeakPolarHBondContact CA-O 3.31Å; Y561-V569 WeakPolarHBondContact CB-O 3.25Å; Y561-F588 HydrophobicContact CD1-CE2 4.06Å; Y561-F588 HydrophobicContact CD1-CZ 4.46Å; Y561-F588 HydrophobicContact CD2-CE2 4.35Å; Y561-F588 HydrophobicContact CD2-CZ 4.28Å; Y561-F588 HydrophobicContact CE1-CE2 4.29Å; Y561-F588 HydrophobicContact CG-CE2 4.09Å; Y561-F588 HydrophobicContact CG-CZ 4.07Å
562	R	93.1	Very high	92.4	Very high	12 Å²	12	30.2 Å²	30.2	5%	0.045	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	134.9	175.9	-167	161.4	176.4	-139.4	-29.5	111.3	D546 V569 F688 V836 H839 K840	D546-R562 WeakPolarHBondContact O-CD 3.36Å; D546-R562 PolarHBondContact O-NE 3.37Å; D546-R562 IonicContact OD2-CZ 2.57Å; D546-R562 IonicContact OD2-NE 2.79Å; D546-R562 IonicContact OD2-NH1 3.22Å; D546-R562 PolarHBondContact OD2-NH1 3.42Å; R562-V569 PolarHBondContact N-O 3.04Å; R562-V569 PolarHBondContact O-N 3.4Å; R562-F688 HydrophobicContact CB-CD2 3.59Å; R562-F688 HydrophobicContact CB-CE2 3.51Å; R562-F688 HydrophobicContact CG-CD2 4.41Å; R562-V836 HydrophobicContact CB-CG1 3.94Å; R562-V836 HydrophobicContact CG-CG1 4.04Å; R562-V836 PolarHBondContact NH1-O 3.2Å; R562-H839 PolarHBondContact NH2-O 3.37Å; R562-K840 PolarHBondContact NH2-OXT 3.38Å
563	Y	89.1	Confident	92.5	Very high	53 Å²	53	30.4 Å²	30.4	21%	0.208	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	120.1	175.4	172.5	-104.5	0	0	0	111	L568 Y597	Y563-L568 HydrophobicContact CD2-CD2 4.07Å; Y563-Y597 AromaticContact CD2-CD2 3.88Å; Y563-Y597 HydrophobicContact CD2-CD2 3.88Å; Y563-Y597 AromaticContact CD2-CE2 3.59Å; Y563-Y597 HydrophobicContact CD2-CE2 3.59Å; Y563-Y597 AromaticContact CE2-CD1 3.97Å; Y563-Y597 HydrophobicContact CE2-CD1 3.97Å; Y563-Y597 AromaticContact CE2-CD2 3.67Å; Y563-Y597 HydrophobicContact CE2-CD2 3.67Å; Y563-Y597 AromaticContact CE2-CE1 3.5Å; Y563-Y597 HydrophobicContact CE2-CE1 3.5Å; Y563-Y597 AromaticContact CE2-CE2 3.17Å; Y563-Y597 HydrophobicContact CE2-CE2 3.17Å; Y563-Y597 HydrophobicContact CE2-CG 4.07Å; Y563-Y597 AromaticContact CE2-CZ 3.12Å; Y563-Y597 AromaticContact CZ-CE1 3.98Å; Y563-Y597 AromaticContact CZ-CE2 3.97Å; Y563-Y597 AromaticContact CZ-CZ 3.54Å; Y563-Y597 PolarHBondContact OH-OH 3.24Å; Y563-Y597 VanDerWaalsContact OH-OH 3.06Å
564	K	86.8	Confident	92.9	Very high	43 Å²	43	22.1 Å²	22.1	19%	0.187	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	148.6	169.4	-158.1	129.7	-178.1	169.9	0	110.9	S566 S567 V836 H839 K840	K564-S566 VanDerWaalsContact C-N 3.29Å; K564-S566 PolarHBondContact O-N 2.75Å; K564-S566 VanDerWaalsContact O-N 3.15Å; K564-S567 PolarHBondContact N-O 3.25Å; K564-S567 PolarHBondContact O-N 3.26Å; K564-S567 VanDerWaalsContact O-O 3.12Å; K564-S567 PolarHBondContact O-OG 3.21Å; K564-V836 HydrophobicContact CB-CG2 3.52Å; K564-V836 HydrophobicContact CG-CG2 4.31Å; K564-H839 VanDerWaalsContact NZ-C 3.28Å; K564-H839 PolarHBondContact NZ-O 3.36Å; K564-K840 VanDerWaalsContact NZ-C 3.29Å; K564-K840 PolarHBondContact NZ-O 3.5Å
565	A	81	Confident	93.2	Very high	40 Å²	40	16.9 Å²	16.9	33%	0.331	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	41.3	171.9	0	0	0	0	0	115.1	S567 K832	A565-S567 PolarHBondContact O-N 3.15Å; A565-K832 HydrophobicContact CB-CG 4.27Å
566	S	83.4	Confident	93.4	Very high	51 Å²	51	12.7 Å²	12.7	36%	0.357	8%	0.075	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	33.8	-175	-59.7	0	0	0	0	114.1	K564 Y597 D598	K564-S566 VanDerWaalsContact C-N 3.29Å; K564-S566 PolarHBondContact O-N 2.75Å; K564-S566 VanDerWaalsContact O-N 3.15Å; S566-Y597 WeakPolarHBondContact O-CA 3.34Å; S566-D598 PolarHBondContact O-N 3.47Å; S566-D598 VanDerWaalsContact O-N 3.09Å
567	S	89.8	Confident	93.4	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	147.4	170.9	42.1	0	0	0	0	111.7	K564 A565 D598	K564-S567 PolarHBondContact N-O 3.25Å; K564-S567 PolarHBondContact O-N 3.26Å; K564-S567 VanDerWaalsContact O-O 3.12Å; K564-S567 PolarHBondContact O-OG 3.21Å; A565-S567 PolarHBondContact O-N 3.15Å; S567-D598 CarbonylContact C-O 3.55Å; S567-D598 WeakPolarHBondContact CA-O 3.48Å; S567-D598 WeakPolarHBondContact CB-O 3.27Å
568	L	94	Very high	93.2	Very high	2 Å²	2	19.4 Å²	19.4	1%	0.01	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	103.5	164.3	-56.4	177	0	0	0	106.4	Y561 Y563 F588 Y591 A592 Y597 D598 I600	Y561-L568 HydrophobicContact CD2-CB 4.29Å; Y561-L568 HydrophobicContact CD2-CD2 3.95Å; Y561-L568 HydrophobicContact CE2-CD2 3.7Å; Y563-L568 HydrophobicContact CD2-CD2 4.07Å; L568-F588 HydrophobicContact CB-CE1 4.23Å; L568-F588 HydrophobicContact CB-CZ 3.76Å; L568-F588 HydrophobicContact CD1-CE1 4.34Å; L568-F588 HydrophobicContact CD1-CE2 4.06Å; L568-F588 HydrophobicContact CD1-CZ 3.84Å; L568-F588 HydrophobicContact CG-CZ 4.39Å; L568-Y591 HydrophobicContact CD1-CD1 3.92Å; L568-Y591 HydrophobicContact CD1-CE1 4.04Å; L568-A592 HydrophobicContact CD1-CB 3.75Å; L568-Y597 HydrophobicContact CD2-CD2 3.94Å; L568-Y597 HydrophobicContact CG-CD2 4.12Å; L568-D598 PolarHBondContact N-O 3.22Å; L568-I600 PolarHBondContact O-N 2.98Å
569	V	95.8	Very high	93.1	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	112.3	178	-174	0	0	0	0	107.8	Y561 R562 I600 F688 V833 V836	Y561-V569 CarbonylContact C-O 3.45Å; Y561-V569 WeakPolarHBondContact CA-O 3.31Å; Y561-V569 WeakPolarHBondContact CB-O 3.25Å; R562-V569 PolarHBondContact N-O 3.04Å; R562-V569 PolarHBondContact O-N 3.4Å; V569-I600 CarbonylContact C-O 3.58Å; V569-I600 VanDerWaalsContact CA-O 3.29Å; V569-I600 WeakPolarHBondContact CA-O 3.3Å; V569-I600 HydrophobicContact CG2-CB 4.48Å; V569-F688 HydrophobicContact CB-CE1 4.34Å; V569-F688 HydrophobicContact CB-CZ 4.03Å; V569-F688 HydrophobicContact CG1-CE1 3.55Å; V569-F688 HydrophobicContact CG1-CZ 3.61Å; V569-F688 WeakPolarHBondContact O-CE2 3.49Å; V569-F688 WeakPolarHBondContact O-CZ 3.32Å; V569-V833 HydrophobicContact CG1-CG2 3.84Å; V569-V833 HydrophobicContact CG2-CG2 4.41Å; V569-V836 HydrophobicContact CB-CG2 4.21Å; V569-V836 HydrophobicContact CG2-CG2 3.78Å
570	V	97.2	Very high	93	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.006	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	137	177.2	-176.9	0	0	0	0	108.6	L559 M560 F588 I600 F601 Y602	L559-V570 HydrophobicContact CB-CG1 4.19Å; L559-V570 HydrophobicContact CD2-CG1 4.18Å; M560-V570 WeakPolarHBondContact O-CA 3.28Å; V570-F588 HydrophobicContact CG2-CD1 4.45Å; V570-F588 HydrophobicContact CG2-CE1 3.44Å; V570-F588 VanDerWaalsContact CG2-CE1 3.44Å; V570-F588 HydrophobicContact CG2-CZ 3.62Å; V570-I600 PolarHBondContact N-O 2.85Å; V570-F601 HydrophobicContact CB-CB 4.41Å; V570-F601 HydrophobicContact CB-CD1 3.51Å; V570-F601 HydrophobicContact CB-CE1 3.88Å; V570-F601 HydrophobicContact CB-CG 4.1Å; V570-F601 HydrophobicContact CG1-CD1 3.57Å; V570-F601 HydrophobicContact CG1-CE1 3.87Å; V570-F601 HydrophobicContact CG2-CD1 3.92Å; V570-F601 HydrophobicContact CG2-CE1 3.77Å; V570-F601 HydrophobicContact CG2-CZ 4.3Å; V570-F601 WeakPolarHBondContact O-CA 3.3Å; V570-Y602 PolarHBondContact O-N 2.88Å
571	L	96.2	Very high	93.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	124.6	175.4	-178.1	68	0	0	0	109.4	L538 L541 K547 M560 Y602 F688	L538-L571 HydrophobicContact CD1-CD1 4.14Å; L538-L571 HydrophobicContact CD1-CG 4.08Å; L541-L571 HydrophobicContact CB-CD2 4.24Å; L541-L571 HydrophobicContact CD1-CD2 3.68Å; K547-L571 HydrophobicContact CD-CB 4.35Å; K547-L571 HydrophobicContact CD-CD2 3.86Å; M560-L571 HydrophobicContact CE-CB 4.1Å; M560-L571 HydrophobicContact CE-CD2 3.86Å; M560-L571 HydrophobicContact CE-CG 3.85Å; M560-L571 VanDerWaalsContact CE-O 3.27Å; M560-L571 WeakPolarHBondContact CE-O 3.19Å; M560-L571 HydrophobicContact CG-CB 4.13Å; M560-L571 WeakPolarHBondContact CG-O 3.24Å; M560-L571 PolarHBondContact O-N 3.26Å; M560-L571 HydrophobicContact SD-CB 4.28Å; M560-L571 HydrophobicContact SD-CD2 3.95Å; M560-L571 HydrophobicContact SD-CG 4.38Å; L571-Y602 HydrophobicContact CD1-CD1 3.93Å; L571-F688 HydrophobicContact CB-CE1 4.17Å; L571-F688 HydrophobicContact CB-CE2 4.03Å; L571-F688 HydrophobicContact CB-CZ 3.67Å; L571-F688 HydrophobicContact CD1-CE1 4.18Å; L571-F688 VanDerWaalsContact CD2-O 3.24Å; L571-F688 WeakPolarHBondContact CD2-O 3.26Å
572	G	95.1	Very high	93	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.01	17%	0.166	C	C	.	.	S	Bend	trans	69.2	-170.2	-179.8	0	0	0	0	0	114.2	Y602	G572-Y602 PolarHBondContact N-O 2.95Å
573	D	95.7	Very high	93.1	Very high	10 Å²	10	34.2 Å²	34.2	5%	0.053	18%	0.184	C	C	.	.	S	Bend	trans	-76.8	162.1	170.1	-71.3	-60.1	0	0	0	111.8	V604 T605 H608 Y612	D573-V604 WeakPolarHBondContact OD1-CB 3.39Å; D573-T605 VanDerWaalsContact OD2-CB 3.26Å; D573-T605 WeakPolarHBondContact OD2-CB 3.4Å; D573-T605 VanDerWaalsContact OD2-CG2 3.24Å; D573-T605 WeakPolarHBondContact OD2-CG2 3.41Å; D573-T605 PolarHBondContact OD2-N 3.43Å; D573-T605 PolarHBondContact OD2-OG1 2.79Å; D573-H608 IonicContact OD1-CD2 3.83Å; D573-H608 IonicContact OD2-CD2 2.69Å; D573-Y612 WeakPolarHBondContact CA-OH 3.37Å; D573-Y612 VanDerWaalsContact OD1-CE2 3.3Å; D573-Y612 WeakPolarHBondContact OD1-CE2 3.36Å; D573-Y612 PolarHBondContact OD1-OH 2.93Å
574	P	96.5	Very high	93.5	Very high	6 Å²	6	31.7 Å²	31.7	4%	0.039	17%	0.174	C	C	.	.			trans	-53.6	148	167.2	-17.5	26.9	0	0	0	112	L559 F581 L584 L585 Y612	L559-P574 HydrophobicContact CD2-CB 3.74Å; L559-P574 HydrophobicContact CD2-CG 3.7Å; P574-F581 HydrophobicContact CB-CD1 3.71Å; P574-F581 HydrophobicContact CB-CD2 3.98Å; P574-F581 HydrophobicContact CB-CE1 3.68Å; P574-F581 HydrophobicContact CB-CE2 3.94Å; P574-F581 HydrophobicContact CB-CG 3.87Å; P574-F581 HydrophobicContact CB-CZ 3.81Å; P574-F581 HydrophobicContact CG-CD1 4.43Å; P574-F581 HydrophobicContact CG-CD2 4.03Å; P574-F581 HydrophobicContact CG-CE2 4.31Å; P574-F581 HydrophobicContact CG-CG 4.1Å; P574-F581 VanDerWaalsContact O-CZ 3.28Å; P574-F581 WeakPolarHBondContact O-CZ 3.29Å; P574-L584 HydrophobicContact CB-CD2 4.05Å; P574-L585 HydrophobicContact CG-CD2 4.47Å; P574-Y612 VanDerWaalsContact CD-OH 3.31Å; P574-Y612 WeakPolarHBondContact CD-OH 3.45Å
575	L	95.6	Very high	93.9	Very high	5 Å²	5	29.7 Å²	29.7	3%	0.026	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	140.5	178.9	-75.5	162.9	0	0	0	109.4	N536 S539 A557 F558 M560	N536-L575 HydrophobicContact CB-CD2 4.12Å; N536-L575 VanDerWaalsContact ND2-CD2 3.33Å; N536-L575 WeakPolarHBondContact ND2-CD2 3.41Å; S539-L575 VanDerWaalsContact OG-CD2 3.27Å; S539-L575 WeakPolarHBondContact OG-CD2 3.35Å; A557-L575 CarbonylContact C-O 3.54Å; A557-L575 WeakPolarHBondContact CA-O 3.41Å; A557-L575 WeakPolarHBondContact CB-O 3.48Å; F558-L575 HydrophobicContact CD1-CB 3.92Å; F558-L575 HydrophobicContact CE1-CB 3.47Å; F558-L575 VanDerWaalsContact CE1-CB 3.47Å; F558-L575 HydrophobicContact CE1-CD1 4.07Å; F558-L575 HydrophobicContact CE1-CG 4.4Å; F558-L575 HydrophobicContact CE2-CB 4.35Å; F558-L575 HydrophobicContact CE2-CD1 3.81Å; F558-L575 HydrophobicContact CZ-CB 3.71Å; F558-L575 HydrophobicContact CZ-CD1 3.39Å; F558-L575 HydrophobicContact CZ-CG 4.18Å; F558-L575 PolarHBondContact N-O 2.84Å; F558-L575 PolarHBondContact O-N 3.44Å; M560-L575 HydrophobicContact CE-CD1 4.47Å
576	G	95	Very high	94.6	Very high	12 Å²	12	33 Å²	33	12%	0.124	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	115.2	-152.9	179.4	0	0	0	0	0	114.1	I529 T556 E578	I529-G576 VanDerWaalsContact CG2-CA 3.42Å; T556-G576 CarbonylContact O-C 3.54Å; T556-G576 VanDerWaalsContact O-CA 3.31Å; T556-G576 WeakPolarHBondContact O-CA 3.47Å; G576-E578 PolarHBondContact O-N 2.78Å
577	D	95.2	Very high	95.1	Very high	41 Å²	41	32.5 Å²	32.5	22%	0.219	17%	0.173	C	C	.	.			trans	-64.3	113.8	178.2	-176.1	6.1	0	0	0	111.7	Y533 T556 N579 A580 F581	Y533-D577 HydrophobicContact CD1-CB 3.89Å; Y533-D577 HydrophobicContact CE1-CB 3.59Å; Y533-D577 HydrophobicContact CG-CB 4.48Å; T556-D577 PolarHBondContact O-N 3.38Å; D577-N579 PolarHBondContact O-N 3.21Å; D577-N579 VanDerWaalsContact O-N 3.12Å; D577-N579 WeakPolarHBondContact OD1-CB 3.4Å; D577-N579 PolarHBondContact OD1-N 3.3Å; D577-N579 VanDerWaalsContact OD1-N 3.08Å; D577-N579 PolarHBondContact OD1-ND2 3.26Å; D577-A580 HydrophobicContact CB-CB 4.42Å; D577-A580 WeakPolarHBondContact O-CB 3.24Å; D577-A580 PolarHBondContact O-N 2.87Å; D577-F581 VanDerWaalsContact O-CD1 3.24Å; D577-F581 WeakPolarHBondContact O-CD1 3.43Å; D577-F581 WeakPolarHBondContact O-CE1 3.3Å
578	E	93.8	Very high	95.3	Very high	127 Å²	127	32.5 Å²	32.5	59%	0.593	17%	0.173	S	C	*	.	G	3₁₀ helix	trans	-55.9	-30.5	178.9	-66.3	-171.6	-169.2	0	0	112.9	G576 A580 F581	G576-E578 PolarHBondContact O-N 2.78Å; E578-A580 PolarHBondContact O-N 3.48Å; E578-F581 HydrophobicContact CB-CD2 4.41Å; E578-F581 HydrophobicContact CB-CE2 4.24Å; E578-F581 HydrophobicContact CB-CZ 4.43Å; E578-F581 HydrophobicContact CG-CE2 3.88Å; E578-F581 HydrophobicContact CG-CZ 4.01Å; E578-F581 WeakPolarHBondContact O-CB 3.43Å; E578-F581 WeakPolarHBondContact O-CG 3.39Å; E578-F581 PolarHBondContact O-N 2.83Å
579	N	94.4	Very high	95.3	Very high	143 Å²	143	33.6 Å²	33.6	77%	0.765	18%	0.177	S	C	*	.	G	3₁₀ helix	trans	-65.9	-22.4	178.5	-60.6	-65.6	0	0	0	112.7	D577	D577-N579 PolarHBondContact O-N 3.21Å; D577-N579 VanDerWaalsContact O-N 3.12Å; D577-N579 WeakPolarHBondContact OD1-CB 3.4Å; D577-N579 PolarHBondContact OD1-N 3.3Å; D577-N579 VanDerWaalsContact OD1-N 3.08Å; D577-N579 PolarHBondContact OD1-ND2 3.26Å
580	A	95.4	Very high	95.1	Very high	7 Å²	7	38 Å²	38	6%	0.058	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-89.5	-5	179.4	0	0	0	0	0	113.3	T556 A557 D577 E578 D582 E583 L584	T556-A580 WeakPolarHBondContact OG1-CB 3.35Å; A557-A580 HydrophobicContact CB-CB 3.98Å; D577-A580 HydrophobicContact CB-CB 4.42Å; D577-A580 WeakPolarHBondContact O-CB 3.24Å; D577-A580 PolarHBondContact O-N 2.87Å; E578-A580 PolarHBondContact O-N 3.48Å; A580-D582 PolarHBondContact O-N 2.72Å; A580-E583 PolarHBondContact O-N 3.27Å; A580-L584 VanDerWaalsContact O-CB 3.31Å; A580-L584 WeakPolarHBondContact O-CB 3.46Å; A580-L584 PolarHBondContact O-N 2.86Å
581	F	96.2	Very high	94.8	Very high	7 Å²	7	39 Å²	39	3%	0.031	20%	0.204	C	C	.	.	H	α-helix	trans	-66.8	-39.1	-171.9	-71.5	3.3	0	0	0	113.4	A557 P574 D577 E578 L584 L585 H608 L611	A557-F581 HydrophobicContact CB-CD1 4Å; A557-F581 HydrophobicContact CB-CE1 4Å; P574-F581 HydrophobicContact CB-CD1 3.71Å; P574-F581 HydrophobicContact CB-CD2 3.98Å; P574-F581 HydrophobicContact CB-CE1 3.68Å; P574-F581 HydrophobicContact CB-CE2 3.94Å; P574-F581 HydrophobicContact CB-CG 3.87Å; P574-F581 HydrophobicContact CB-CZ 3.81Å; P574-F581 HydrophobicContact CG-CD1 4.43Å; P574-F581 HydrophobicContact CG-CD2 4.03Å; P574-F581 HydrophobicContact CG-CE2 4.31Å; P574-F581 HydrophobicContact CG-CG 4.1Å; P574-F581 VanDerWaalsContact O-CZ 3.28Å; P574-F581 WeakPolarHBondContact O-CZ 3.29Å; D577-F581 VanDerWaalsContact O-CD1 3.24Å; D577-F581 WeakPolarHBondContact O-CD1 3.43Å; D577-F581 WeakPolarHBondContact O-CE1 3.3Å; E578-F581 HydrophobicContact CB-CD2 4.41Å; E578-F581 HydrophobicContact CB-CE2 4.24Å; E578-F581 HydrophobicContact CB-CZ 4.43Å; E578-F581 HydrophobicContact CG-CE2 3.88Å; E578-F581 HydrophobicContact CG-CZ 4.01Å; E578-F581 WeakPolarHBondContact O-CB 3.43Å; E578-F581 WeakPolarHBondContact O-CG 3.39Å; E578-F581 PolarHBondContact O-N 2.83Å; F581-L584 PolarHBondContact O-N 3.4Å; F581-L585 WeakPolarHBondContact O-CB 3.39Å; F581-L585 VanDerWaalsContact O-CG 3.28Å; F581-L585 WeakPolarHBondContact O-CG 3.26Å; F581-L585 PolarHBondContact O-N 2.89Å; F581-H608 AromaticContact CE2-CE1 3.76Å; F581-H608 AromaticContact CE2-NE2 3.94Å; F581-L611 HydrophobicContact CB-CD1 4.38Å; F581-L611 HydrophobicContact CB-CD2 3.74Å; F581-L611 HydrophobicContact CD2-CD2 4.05Å; F581-L611 HydrophobicContact CG-CD2 4.38Å
582	D	94.7	Very high	94.5	Very high	81 Å²	81	39 Å²	39	43%	0.433	21%	0.205	S	C	.	.	H	α-helix	trans	-60.7	-46.1	175.7	-80.9	-72.2	0	0	0	111.3	A580 E586 L611 F615	A580-D582 PolarHBondContact O-N 2.72Å; D582-E586 WeakPolarHBondContact O-CB 3.42Å; D582-E586 PolarHBondContact O-N 3.01Å; D582-L611 HydrophobicContact CB-CD1 4.35Å; D582-L611 VanDerWaalsContact CG-CD1 3.5Å; D582-L611 VanDerWaalsContact OD1-CD1 3.24Å; D582-L611 WeakPolarHBondContact OD1-CD1 3.38Å; D582-F615 WeakPolarHBondContact O-CZ 3.43Å
583	E	94.9	Very high	94.1	Very high	89 Å²	89	42.3 Å²	42.3	42%	0.416	22%	0.22	S	C	.	.	H	α-helix	trans	-64.5	-46.4	178.4	-173.9	-169.8	138.7	0	0	111.6	A580 L585 E586 A587	A580-E583 PolarHBondContact O-N 3.27Å; E583-L585 PolarHBondContact O-N 3.45Å; E583-E586 PolarHBondContact O-N 3.39Å; E583-A587 WeakPolarHBondContact O-CB 3.39Å; E583-A587 PolarHBondContact O-N 3.4Å
584	L	96.4	Very high	93.7	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-58.2	-48	177.5	175.3	65.6	0	0	0	111.5	F550 N552 A557 L559 P574 A580 F581 A587 F588	F550-L584 HydrophobicContact CD1-CD1 3.77Å; F550-L584 HydrophobicContact CE1-CD1 4.2Å; N552-L584 HydrophobicContact CB-CB 4.37Å; N552-L584 HydrophobicContact CB-CD1 4.15Å; A557-L584 HydrophobicContact CB-CD2 3.88Å; L559-L584 HydrophobicContact CD1-CG 4.42Å; L559-L584 HydrophobicContact CD2-CD2 4.03Å; L559-L584 HydrophobicContact CG-CD1 4.45Å; L559-L584 HydrophobicContact CG-CD2 3.93Å; L559-L584 HydrophobicContact CG-CG 4.12Å; P574-L584 HydrophobicContact CB-CD2 4.05Å; A580-L584 VanDerWaalsContact O-CB 3.31Å; A580-L584 WeakPolarHBondContact O-CB 3.46Å; A580-L584 PolarHBondContact O-N 2.86Å; F581-L584 PolarHBondContact O-N 3.4Å; L584-A587 PolarHBondContact O-N 3.48Å; L584-F588 WeakPolarHBondContact O-CB 3.5Å; L584-F588 PolarHBondContact O-N 2.94Å
585	L	96.2	Very high	93.2	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-67.2	-41.4	178.4	-69.6	178.5	0	0	0	111	L559 P574 F581 E583 A587 F588 Y589 F601 L611 Y612 F615	L559-L585 HydrophobicContact CD1-CD2 4.18Å; L559-L585 HydrophobicContact CD2-CD2 4.27Å; P574-L585 HydrophobicContact CG-CD2 4.47Å; F581-L585 WeakPolarHBondContact O-CB 3.39Å; F581-L585 VanDerWaalsContact O-CG 3.28Å; F581-L585 WeakPolarHBondContact O-CG 3.26Å; F581-L585 PolarHBondContact O-N 2.89Å; E583-L585 PolarHBondContact O-N 3.45Å; L585-A587 VanDerWaalsContact C-N 3.34Å; L585-A587 PolarHBondContact O-N 3Å; L585-F588 PolarHBondContact O-N 3.27Å; L585-F588 VanDerWaalsContact O-N 3.16Å; L585-Y589 HydrophobicContact CB-CD2 4.36Å; L585-Y589 HydrophobicContact CB-CE2 4.49Å; L585-Y589 WeakPolarHBondContact O-CB 3.31Å; L585-Y589 WeakPolarHBondContact O-CD2 3.44Å; L585-Y589 PolarHBondContact O-N 3.01Å; L585-F601 HydrophobicContact CD2-CE1 3.68Å; L585-F601 HydrophobicContact CD2-CZ 3.56Å; L585-L611 HydrophobicContact CD1-CD1 3.93Å; L585-L611 HydrophobicContact CD1-CD2 3.54Å; L585-L611 HydrophobicContact CD1-CG 3.56Å; L585-Y612 HydrophobicContact CD1-CD1 4.37Å; L585-Y612 HydrophobicContact CD1-CE1 4.32Å; L585-F615 HydrophobicContact CB-CD2 4.24Å; L585-F615 HydrophobicContact CB-CE1 3.99Å; L585-F615 HydrophobicContact CB-CE2 3.64Å; L585-F615 HydrophobicContact CB-CZ 3.49Å; L585-F615 VanDerWaalsContact CB-CZ 3.49Å; L585-F615 HydrophobicContact CD1-CD2 4.07Å; L585-F615 HydrophobicContact CD1-CE2 3.8Å; L585-F615 HydrophobicContact CG-CE2 4.4Å
586	E	94.9	Very high	92.7	Very high	109 Å²	109	45 Å²	45	51%	0.509	23%	0.23	S	C	.	.	H	α-helix	trans	-57.1	-47.8	175	-175.8	172.2	-166.7	0	0	111.4	D582 E583 F588 Y589 N590 F615	D582-E586 WeakPolarHBondContact O-CB 3.42Å; D582-E586 PolarHBondContact O-N 3.01Å; E583-E586 PolarHBondContact O-N 3.39Å; E586-F588 VanDerWaalsContact C-N 3.35Å; E586-F588 PolarHBondContact O-N 2.64Å; E586-Y589 PolarHBondContact O-N 3.44Å; E586-N590 WeakPolarHBondContact O-CB 3.47Å; E586-N590 VanDerWaalsContact O-CG 3.23Å; E586-N590 PolarHBondContact O-N 3.03Å; E586-N590 PolarHBondContact O-ND2 3Å; E586-N590 VanDerWaalsContact O-ND2 3.09Å; E586-F615 HydrophobicContact CB-CE1 4.13Å; E586-F615 HydrophobicContact CB-CZ 4.4Å
587	A	94	Very high	92.4	Very high	41 Å²	41	45.7 Å²	45.7	34%	0.339	23%	0.229	S	C	.	.	H	α-helix	trans	-59.6	-43.7	174.7	0	0	0	0	0	112	F550 E583 L584 L585 N590 Y591	F550-A587 HydrophobicContact CE1-CB 3.96Å; F550-A587 HydrophobicContact CZ-CB 4.15Å; E583-A587 WeakPolarHBondContact O-CB 3.39Å; E583-A587 PolarHBondContact O-N 3.4Å; L584-A587 PolarHBondContact O-N 3.48Å; L585-A587 VanDerWaalsContact C-N 3.34Å; L585-A587 PolarHBondContact O-N 3Å; A587-N590 PolarHBondContact O-N 2.92Å; A587-Y591 WeakPolarHBondContact O-CB 3.41Å; A587-Y591 PolarHBondContact O-N 3.47Å
588	F	95.2	Very high	92.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-67.1	-41.1	179.7	-169.5	-111.7	0	0	0	113.1	F550 L559 Y561 L568 V570 L584 L585 E586 Y591 A592 V599	F550-F588 HydrophobicContact CB-CD2 3.99Å; F550-F588 HydrophobicContact CB-CE2 4.13Å; F550-F588 HydrophobicContact CD1-CB 4.11Å; F550-F588 AromaticContact CD1-CD2 3.75Å; F550-F588 HydrophobicContact CD1-CD2 3.75Å; F550-F588 HydrophobicContact CD1-CG 4.4Å; F550-F588 AromaticContact CD2-CD2 3.87Å; F550-F588 HydrophobicContact CD2-CD2 3.87Å; F550-F588 HydrophobicContact CD2-CE2 4.36Å; F550-F588 HydrophobicContact CE1-CB 3.95Å; F550-F588 HydrophobicContact CE1-CD2 4.17Å; F550-F588 HydrophobicContact CE2-CD2 4.27Å; F550-F588 AromaticContact CG-CD2 3.6Å; F550-F588 HydrophobicContact CG-CD2 3.6Å; F550-F588 HydrophobicContact CG-CE2 4.16Å; F550-F588 HydrophobicContact CZ-CB 4.47Å; F550-F588 HydrophobicContact CZ-CD2 4.41Å; L559-F588 HydrophobicContact CD1-CB 3.79Å; L559-F588 HydrophobicContact CD1-CD1 3.62Å; L559-F588 HydrophobicContact CD1-CD2 3.73Å; L559-F588 HydrophobicContact CD1-CE1 4.02Å; L559-F588 HydrophobicContact CD1-CE2 4.12Å; L559-F588 HydrophobicContact CD1-CG 3.44Å; L559-F588 VanDerWaalsContact CD1-CG 3.44Å; L559-F588 HydrophobicContact CD1-CZ 4.24Å; Y561-F588 HydrophobicContact CD1-CE2 4.06Å; Y561-F588 HydrophobicContact CD1-CZ 4.46Å; Y561-F588 HydrophobicContact CD2-CE2 4.35Å; Y561-F588 HydrophobicContact CD2-CZ 4.28Å; Y561-F588 HydrophobicContact CE1-CE2 4.29Å; Y561-F588 HydrophobicContact CG-CE2 4.09Å; Y561-F588 HydrophobicContact CG-CZ 4.07Å; L568-F588 HydrophobicContact CB-CE1 4.23Å; L568-F588 HydrophobicContact CB-CZ 3.76Å; L568-F588 HydrophobicContact CD1-CE1 4.34Å; L568-F588 HydrophobicContact CD1-CE2 4.06Å; L568-F588 HydrophobicContact CD1-CZ 3.84Å; L568-F588 HydrophobicContact CG-CZ 4.39Å; V570-F588 HydrophobicContact CG2-CD1 4.45Å; V570-F588 HydrophobicContact CG2-CE1 3.44Å; V570-F588 VanDerWaalsContact CG2-CE1 3.44Å; V570-F588 HydrophobicContact CG2-CZ 3.62Å; L584-F588 WeakPolarHBondContact O-CB 3.5Å; L584-F588 PolarHBondContact O-N 2.94Å; L585-F588 PolarHBondContact O-N 3.27Å; L585-F588 VanDerWaalsContact O-N 3.16Å; E586-F588 VanDerWaalsContact C-N 3.35Å; E586-F588 PolarHBondContact O-N 2.64Å; F588-Y591 HydrophobicContact CD2-CD1 4.49Å; F588-Y591 WeakPolarHBondContact O-CB 3.31Å; F588-Y591 PolarHBondContact O-N 3.06Å; F588-A592 WeakPolarHBondContact O-CB 3.18Å; F588-A592 PolarHBondContact O-N 3.34Å; F588-V599 HydrophobicContact CD1-CG1 4.12Å; F588-V599 HydrophobicContact CD1-CG2 4.32Å; F588-V599 HydrophobicContact CE1-CG1 3.76Å; F588-V599 HydrophobicContact CE1-CG2 4.17Å
589	Y	93.3	Very high	92.2	Very high	25 Å²	25	38.1 Å²	38.1	10%	0.098	19%	0.193	C	C	.	.	H	α-helix	trans	-66.3	-39.1	174.6	-87.4	-78.5	0	0	0	111.9	L585 E586 Y591 A592 E593 V599 F601 F615 N617 R821	L585-Y589 HydrophobicContact CB-CD2 4.36Å; L585-Y589 HydrophobicContact CB-CE2 4.49Å; L585-Y589 WeakPolarHBondContact O-CB 3.31Å; L585-Y589 WeakPolarHBondContact O-CD2 3.44Å; L585-Y589 PolarHBondContact O-N 3.01Å; E586-Y589 PolarHBondContact O-N 3.44Å; Y589-Y591 VanDerWaalsContact C-N 3.35Å; Y589-A592 PolarHBondContact O-N 3.28Å; Y589-E593 VanDerWaalsContact O-CB 3.27Å; Y589-E593 WeakPolarHBondContact O-CB 3.4Å; Y589-E593 PolarHBondContact O-N 2.96Å; Y589-V599 HydrophobicContact CD1-CB 4.45Å; Y589-V599 HydrophobicContact CD1-CG2 4.07Å; Y589-V599 HydrophobicContact CE1-CB 3.89Å; Y589-V599 HydrophobicContact CE1-CG1 4.25Å; Y589-V599 HydrophobicContact CE1-CG2 4.01Å; Y589-F601 HydrophobicContact CE2-CE2 4.4Å; Y589-F601 HydrophobicContact CE2-CZ 4.38Å; Y589-F601 WeakPolarHBondContact OH-CE2 3.29Å; Y589-F615 HydrophobicContact CD2-CB 4.15Å; Y589-F615 AromaticContact CD2-CD1 3.34Å; Y589-F615 HydrophobicContact CD2-CD1 3.34Å; Y589-F615 AromaticContact CD2-CE1 3.92Å; Y589-F615 HydrophobicContact CD2-CE1 3.92Å; Y589-F615 AromaticContact CD2-CG 3.83Å; Y589-F615 HydrophobicContact CD2-CG 3.83Å; Y589-F615 HydrophobicContact CE2-CB 3.61Å; Y589-F615 AromaticContact CE2-CD1 3.66Å; Y589-F615 HydrophobicContact CE2-CD1 3.66Å; Y589-F615 HydrophobicContact CE2-CD2 4.39Å; Y589-F615 HydrophobicContact CE2-CE1 4.48Å; Y589-F615 AromaticContact CE2-CG 3.62Å; Y589-F615 HydrophobicContact CE2-CG 3.62Å; Y589-F615 HydrophobicContact CG-CD1 4.06Å; Y589-N617 VanDerWaalsContact OH-CG 3.3Å; Y589-N617 PolarHBondContact OH-ND2 3.48Å; Y589-N617 PolarHBondContact OH-OD1 2.96Å; Y589-N617 VanDerWaalsContact OH-OD1 3.07Å; Y589-R821 HydrophobicContact CE1-CG 4.48Å
590	N	90.8	Very high	92.3	Very high	92 Å²	92	31.3 Å²	31.3	49%	0.492	16%	0.157	S	C	.	.	H	α-helix	trans	-63	-42.6	174	-75.9	-33.5	0	0	0	111.3	E586 A587 E593 Y594	E586-N590 WeakPolarHBondContact O-CB 3.47Å; E586-N590 VanDerWaalsContact O-CG 3.23Å; E586-N590 PolarHBondContact O-N 3.03Å; E586-N590 PolarHBondContact O-ND2 3Å; E586-N590 VanDerWaalsContact O-ND2 3.09Å; A587-N590 PolarHBondContact O-N 2.92Å; N590-E593 PolarHBondContact O-N 2.9Å; N590-Y594 WeakPolarHBondContact O-CB 3.26Å; N590-Y594 PolarHBondContact O-N 2.91Å
591	Y	90.7	Very high	92.4	Very high	22 Å²	22	31 Å²	31	9%	0.086	15%	0.154	C	C	.	.	H	α-helix	trans	-61.3	-46.8	173.6	174.4	-113.6	0	0	0	112.1	V517 R518 I519 F550 L568 A587 F588 Y589 E593 Y594 L595	V517-Y591 PolarHBondContact O-OH 2.95Å; R518-Y591 WeakPolarHBondContact CA-OH 3.22Å; I519-Y591 HydrophobicContact CD1-CD2 4.01Å; I519-Y591 HydrophobicContact CD1-CE2 3.79Å; I519-Y591 HydrophobicContact CG1-CE2 4.05Å; I519-Y591 PolarHBondContact N-OH 2.99Å; F550-Y591 HydrophobicContact CD2-CD1 4.35Å; F550-Y591 AromaticContact CE2-CD1 4Å; F550-Y591 HydrophobicContact CE2-CD1 4Å; F550-Y591 HydrophobicContact CE2-CG 4.02Å; L568-Y591 HydrophobicContact CD1-CD1 3.92Å; L568-Y591 HydrophobicContact CD1-CE1 4.04Å; A587-Y591 WeakPolarHBondContact O-CB 3.41Å; A587-Y591 PolarHBondContact O-N 3.47Å; F588-Y591 HydrophobicContact CD2-CD1 4.49Å; F588-Y591 WeakPolarHBondContact O-CB 3.31Å; F588-Y591 PolarHBondContact O-N 3.06Å; Y589-Y591 VanDerWaalsContact C-N 3.35Å; Y591-E593 PolarHBondContact O-N 3.22Å; Y591-Y594 PolarHBondContact O-N 3.46Å; Y591-L595 HydrophobicContact CD1-CD1 4.41Å; Y591-L595 HydrophobicContact CD2-CD1 4.12Å; Y591-L595 HydrophobicContact CE1-CD1 3.86Å; Y591-L595 HydrophobicContact CE2-CD1 3.51Å; Y591-L595 HydrophobicContact CE2-CG 4.26Å; Y591-L595 PolarHBondContact O-N 2.95Å
592	A	90.6	Very high	92.3	Very high	2 Å²	2	31.9 Å²	31.9	2%	0.017	16%	0.157	C	C	.	.	H	α-helix	trans	-62.6	-41	175.8	0	0	0	0	0	112.4	L568 F588 Y589 L595 G596 Y597 V599	L568-A592 HydrophobicContact CD1-CB 3.75Å; F588-A592 WeakPolarHBondContact O-CB 3.18Å; F588-A592 PolarHBondContact O-N 3.34Å; Y589-A592 PolarHBondContact O-N 3.28Å; A592-L595 CarbonylContact O-C 3.46Å; A592-L595 PolarHBondContact O-N 2.86Å; A592-G596 WeakPolarHBondContact O-CA 3.37Å; A592-G596 PolarHBondContact O-N 3.12Å; A592-Y597 PolarHBondContact O-N 2.84Å; A592-V599 HydrophobicContact CB-CG2 3.31Å
593	E	87.4	Confident	92.3	Very high	69 Å²	69	28.8 Å²	28.8	32%	0.322	14%	0.14	S	C	.	.	H	α-helix	trans	-65.8	-41.5	177.5	176	164.9	153.8	0	0	111.8	R441 Y589 N590 Y591 G596	R441-E593 HydrophobicContact CG-CG 4.01Å; R441-E593 IonicContact CZ-OE1 3.23Å; R441-E593 IonicContact CZ-OE2 3.59Å; R441-E593 VanDerWaalsContact NE-CG 3.35Å; R441-E593 IonicContact NE-OE1 3.24Å; R441-E593 PolarHBondContact NE-OE1 2.81Å; R441-E593 IonicContact NH2-OE1 3.43Å; R441-E593 PolarHBondContact NH2-OE1 3.18Å; R441-E593 IonicContact NH2-OE2 2.85Å; R441-E593 PolarHBondContact NH2-OE2 3.41Å; R441-E593 VanDerWaalsContact NH2-OE2 3.16Å; Y589-E593 VanDerWaalsContact O-CB 3.27Å; Y589-E593 WeakPolarHBondContact O-CB 3.4Å; Y589-E593 PolarHBondContact O-N 2.96Å; N590-E593 PolarHBondContact O-N 2.9Å; Y591-E593 PolarHBondContact O-N 3.22Å; E593-G596 PolarHBondContact O-N 2.82Å
594	Y	87.1	Confident	92.3	Very high	70 Å²	70	24.5 Å²	24.5	28%	0.275	12%	0.12	S	C	.	.	H	α-helix	trans	-58	-50.3	173.5	177	-98.4	0	0	0	110.3	R440 L442 N590 Y591 G596	R440-Y594 WeakPolarHBondContact O-CD2 3.27Å; L442-Y594 WeakPolarHBondContact CA-O 3.41Å; L442-Y594 HydrophobicContact CB-CD1 4.44Å; L442-Y594 HydrophobicContact CB-CE1 4.16Å; L442-Y594 WeakPolarHBondContact CB-O 3.21Å; L442-Y594 PolarHBondContact N-O 3Å; N590-Y594 WeakPolarHBondContact O-CB 3.26Å; N590-Y594 PolarHBondContact O-N 2.91Å; Y591-Y594 PolarHBondContact O-N 3.46Å; Y594-G596 VanDerWaalsContact C-N 3.27Å; Y594-G596 PolarHBondContact O-N 3.48Å
595	L	85.6	Confident	92.2	Very high	3 Å²	3	25.4 Å²	25.4	2%	0.016	13%	0.126	C	C	.	.	H	α-helix	trans	-76.9	-8.8	179.9	-64.7	177.9	0	0	0	114.1	L442 K443 V517 Y591 A592 Y597	L442-L595 HydrophobicContact CD2-CD2 4.16Å; K443-L595 WeakPolarHBondContact CD-O 3.49Å; K443-L595 WeakPolarHBondContact CE-O 3.44Å; K443-L595 WeakPolarHBondContact CG-O 3.14Å; V517-L595 HydrophobicContact CB-CD2 4.23Å; V517-L595 HydrophobicContact CG1-CD2 4.21Å; Y591-L595 HydrophobicContact CD1-CD1 4.41Å; Y591-L595 HydrophobicContact CD2-CD1 4.12Å; Y591-L595 HydrophobicContact CE1-CD1 3.86Å; Y591-L595 HydrophobicContact CE2-CD1 3.51Å; Y591-L595 HydrophobicContact CE2-CG 4.26Å; Y591-L595 PolarHBondContact O-N 2.95Å; A592-L595 CarbonylContact O-C 3.46Å; A592-L595 PolarHBondContact O-N 2.86Å; L595-Y597 VanDerWaalsContact C-N 3.32Å; L595-Y597 HydrophobicContact CB-CD2 3.56Å; L595-Y597 HydrophobicContact CB-CE2 3.65Å; L595-Y597 HydrophobicContact CB-CG 4.06Å; L595-Y597 HydrophobicContact CD1-CD2 3.89Å; L595-Y597 HydrophobicContact CD1-CE2 3.69Å; L595-Y597 HydrophobicContact CG-CD2 4.38Å; L595-Y597 HydrophobicContact CG-CE2 4.22Å; L595-Y597 PolarHBondContact O-N 3.48Å
596	G	85.5	Confident	92	Very high	4 Å²	4	29 Å²	29	4%	0.041	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.2	31.2	-176.6	0	0	0	0	0	114	K443 P445 A592 E593 Y594	K443-G596 WeakPolarHBondContact O-CA 3.46Å; P445-G596 WeakPolarHBondContact CA-O 3.42Å; P445-G596 WeakPolarHBondContact CB-O 3.3Å; A592-G596 WeakPolarHBondContact O-CA 3.37Å; A592-G596 PolarHBondContact O-N 3.12Å; E593-G596 PolarHBondContact O-N 2.82Å; Y594-G596 VanDerWaalsContact C-N 3.27Å; Y594-G596 PolarHBondContact O-N 3.48Å
597	Y	88.6	Confident	91.9	Very high	27 Å²	27	29.2 Å²	29.2	11%	0.106	15%	0.146	C	C	.	.	P	Polyproline II helix	trans	-96.9	151.1	178	-63.1	-29.2	0	0	0	112.2	K443 Y563 S566 L568 A592 L595	K443-Y597 PolarHBondContact NZ-OH 3.11Å; Y563-Y597 AromaticContact CD2-CD2 3.88Å; Y563-Y597 HydrophobicContact CD2-CD2 3.88Å; Y563-Y597 AromaticContact CD2-CE2 3.59Å; Y563-Y597 HydrophobicContact CD2-CE2 3.59Å; Y563-Y597 AromaticContact CE2-CD1 3.97Å; Y563-Y597 HydrophobicContact CE2-CD1 3.97Å; Y563-Y597 AromaticContact CE2-CD2 3.67Å; Y563-Y597 HydrophobicContact CE2-CD2 3.67Å; Y563-Y597 AromaticContact CE2-CE1 3.5Å; Y563-Y597 HydrophobicContact CE2-CE1 3.5Å; Y563-Y597 AromaticContact CE2-CE2 3.17Å; Y563-Y597 HydrophobicContact CE2-CE2 3.17Å; Y563-Y597 HydrophobicContact CE2-CG 4.07Å; Y563-Y597 AromaticContact CE2-CZ 3.12Å; Y563-Y597 AromaticContact CZ-CE1 3.98Å; Y563-Y597 AromaticContact CZ-CE2 3.97Å; Y563-Y597 AromaticContact CZ-CZ 3.54Å; Y563-Y597 PolarHBondContact OH-OH 3.24Å; Y563-Y597 VanDerWaalsContact OH-OH 3.06Å; S566-Y597 WeakPolarHBondContact O-CA 3.34Å; L568-Y597 HydrophobicContact CD2-CD2 3.94Å; L568-Y597 HydrophobicContact CG-CD2 4.12Å; A592-Y597 PolarHBondContact O-N 2.84Å; L595-Y597 VanDerWaalsContact C-N 3.32Å; L595-Y597 HydrophobicContact CB-CD2 3.56Å; L595-Y597 HydrophobicContact CB-CE2 3.65Å; L595-Y597 HydrophobicContact CB-CG 4.06Å; L595-Y597 HydrophobicContact CD1-CD2 3.89Å; L595-Y597 HydrophobicContact CD1-CE2 3.69Å; L595-Y597 HydrophobicContact CG-CD2 4.38Å; L595-Y597 HydrophobicContact CG-CE2 4.22Å; L595-Y597 PolarHBondContact O-N 3.48Å
598	D	90.3	Very high	91.8	Very high	8 Å²	8	28.6 Å²	28.6	4%	0.043	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	139	169.3	-69.1	-45.8	0	0	0	109.6	R447 S566 S567 L568 N824 K832	R447-D598 IonicContact NH2-OD1 2.61Å; S566-D598 PolarHBondContact O-N 3.47Å; S566-D598 VanDerWaalsContact O-N 3.09Å; S567-D598 CarbonylContact C-O 3.55Å; S567-D598 WeakPolarHBondContact CA-O 3.48Å; S567-D598 WeakPolarHBondContact CB-O 3.27Å; L568-D598 PolarHBondContact N-O 3.22Å; D598-N824 WeakPolarHBondContact CB-ND2 3.39Å; D598-N824 PolarHBondContact OD1-ND2 2.81Å; D598-N824 PolarHBondContact OD1-OD1 3.31Å; D598-K832 IonicContact OD2-NZ 2.65Å; D598-K832 PolarHBondContact OD2-NZ 3.33Å
599	V	94.6	Very high	91.6	Very high	2 Å²	2	31 Å²	31	1%	0.012	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	129.8	170.4	-179.6	0	0	0	0	108.6	F588 Y589 A592 F601	F588-V599 HydrophobicContact CD1-CG1 4.12Å; F588-V599 HydrophobicContact CD1-CG2 4.32Å; F588-V599 HydrophobicContact CE1-CG1 3.76Å; F588-V599 HydrophobicContact CE1-CG2 4.17Å; Y589-V599 HydrophobicContact CD1-CB 4.45Å; Y589-V599 HydrophobicContact CD1-CG2 4.07Å; Y589-V599 HydrophobicContact CE1-CB 3.89Å; Y589-V599 HydrophobicContact CE1-CG1 4.25Å; Y589-V599 HydrophobicContact CE1-CG2 4.01Å; A592-V599 HydrophobicContact CB-CG2 3.31Å; V599-F601 HydrophobicContact CG1-CD2 4.07Å; V599-F601 HydrophobicContact CG1-CE2 3.31Å; V599-F601 HydrophobicContact CG1-CZ 3.67Å
600	I	96.2	Very high	91.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	125.4	177.6	-56.2	168.4	0	0	0	107.2	L568 V569 V570 L818 V819 K832 V833	L568-I600 PolarHBondContact O-N 2.98Å; V569-I600 CarbonylContact C-O 3.58Å; V569-I600 VanDerWaalsContact CA-O 3.29Å; V569-I600 WeakPolarHBondContact CA-O 3.3Å; V569-I600 HydrophobicContact CG2-CB 4.48Å; V570-I600 PolarHBondContact N-O 2.85Å; I600-L818 HydrophobicContact CG2-CD1 3.61Å; I600-L818 HydrophobicContact CG2-CG 4.21Å; I600-V819 CarbonylContact C-O 3.59Å; I600-V819 WeakPolarHBondContact CA-O 3.28Å; I600-K832 HydrophobicContact CD1-CB 4.15Å; I600-K832 HydrophobicContact CD1-CD 4.04Å; I600-V833 HydrophobicContact CG2-CG2 3.83Å
601	F	97	Very high	91.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	136.6	170.7	-51.1	-107.9	0	0	0	109.2	L559 V570 L585 Y589 V599 V604 Y612 L818 V819	L559-F601 HydrophobicContact CD2-CE1 4.46Å; V570-F601 HydrophobicContact CB-CB 4.41Å; V570-F601 HydrophobicContact CB-CD1 3.51Å; V570-F601 HydrophobicContact CB-CE1 3.88Å; V570-F601 HydrophobicContact CB-CG 4.1Å; V570-F601 HydrophobicContact CG1-CD1 3.57Å; V570-F601 HydrophobicContact CG1-CE1 3.87Å; V570-F601 HydrophobicContact CG2-CD1 3.92Å; V570-F601 HydrophobicContact CG2-CE1 3.77Å; V570-F601 HydrophobicContact CG2-CZ 4.3Å; V570-F601 WeakPolarHBondContact O-CA 3.3Å; L585-F601 HydrophobicContact CD2-CE1 3.68Å; L585-F601 HydrophobicContact CD2-CZ 3.56Å; Y589-F601 HydrophobicContact CE2-CE2 4.4Å; Y589-F601 HydrophobicContact CE2-CZ 4.38Å; Y589-F601 WeakPolarHBondContact OH-CE2 3.29Å; V599-F601 HydrophobicContact CG1-CD2 4.07Å; V599-F601 HydrophobicContact CG1-CE2 3.31Å; V599-F601 HydrophobicContact CG1-CZ 3.67Å; F601-V604 HydrophobicContact CB-CG1 3.4Å; F601-V604 VanDerWaalsContact CB-CG1 3.4Å; F601-V604 HydrophobicContact CG-CG1 4.27Å; F601-Y612 AromaticContact CD1-CE1 3.69Å; F601-Y612 HydrophobicContact CD1-CE1 3.69Å; F601-Y612 HydrophobicContact CD2-CD1 4.27Å; F601-Y612 HydrophobicContact CD2-CE1 4.08Å; F601-Y612 AromaticContact CE1-CE1 3.79Å; F601-Y612 HydrophobicContact CE1-CE1 3.79Å; F601-Y612 HydrophobicContact CE2-CD1 4.24Å; F601-Y612 HydrophobicContact CE2-CE1 4.16Å; F601-Y612 AromaticContact CG-CE1 3.89Å; F601-Y612 HydrophobicContact CG-CE1 3.89Å; F601-Y612 HydrophobicContact CZ-CD1 4.44Å; F601-Y612 HydrophobicContact CZ-CE1 4.05Å; F601-L818 CarbonylContact O-C 3.58Å; F601-L818 WeakPolarHBondContact O-CA 3.29Å; F601-V819 HydrophobicContact CB-CB 3.98Å; F601-V819 HydrophobicContact CD2-CB 3.99Å; F601-V819 HydrophobicContact CD2-CG1 3.99Å; F601-V819 HydrophobicContact CG-CB 4.35Å; F601-V819 PolarHBondContact N-O 3.28Å; F601-V819 PolarHBondContact O-N 2.84Å
602	Y	95.1	Very high	91.9	Very high	26 Å²	26	29.5 Å²	29.5	10%	0.102	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	128.4	-174.6	-179.5	-113.8	0	0	0	109.9	V570 L571 G572 L622 F688 L818 V833 I837	V570-Y602 PolarHBondContact O-N 2.88Å; L571-Y602 HydrophobicContact CD1-CD1 3.93Å; G572-Y602 PolarHBondContact N-O 2.95Å; Y602-L622 HydrophobicContact CD2-CD1 3.47Å; Y602-L622 VanDerWaalsContact CD2-CD1 3.47Å; Y602-L622 HydrophobicContact CE2-CD1 3.46Å; Y602-L622 VanDerWaalsContact CE2-CD1 3.46Å; Y602-L622 HydrophobicContact CE2-CD2 4.11Å; Y602-L622 HydrophobicContact CE2-CG 4.4Å; Y602-L622 HydrophobicContact CG-CD1 4.47Å; Y602-F688 HydrophobicContact CD1-CE1 4.19Å; Y602-L818 HydrophobicContact CD2-CD1 3.93Å; Y602-V833 HydrophobicContact CD1-CG1 4.15Å; Y602-V833 HydrophobicContact CD2-CG1 3.59Å; Y602-V833 HydrophobicContact CE1-CG1 4.35Å; Y602-V833 HydrophobicContact CE2-CG1 3.81Å; Y602-V833 HydrophobicContact CG-CG1 3.78Å; Y602-I837 HydrophobicContact CE1-CD1 3.94Å
603	Q	93.4	Very high	91.9	Very high	15 Å²	15	35.4 Å²	35.4	7%	0.07	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	64.5	39.5	-176.6	-57.6	-177.6	12.7	0	0	114.8	L538 L622 M767 F817	L538-Q603 HydrophobicContact CD1-CB 4.08Å; Q603-L622 HydrophobicContact CG-CD1 4.42Å; Q603-M767 HydrophobicContact CG-CE 4.41Å; Q603-M767 HydrophobicContact CG-SD 4.13Å; Q603-F817 PolarHBondContact N-O 2.89Å; Q603-F817 VanDerWaalsContact N-O 3.07Å
604	V	95.3	Very high	92.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	153.6	171.2	-54.4	0	0	0	0	111.2	D573 F601 Y612 R816 F817 V819	D573-V604 WeakPolarHBondContact OD1-CB 3.39Å; F601-V604 HydrophobicContact CB-CG1 3.4Å; F601-V604 VanDerWaalsContact CB-CG1 3.4Å; F601-V604 HydrophobicContact CG-CG1 4.27Å; V604-Y612 HydrophobicContact CB-CE2 4Å; V604-Y612 HydrophobicContact CG1-CE2 4.06Å; V604-Y612 WeakPolarHBondContact CG1-OH 3.27Å; V604-Y612 HydrophobicContact CG2-CE2 4.13Å; V604-R816 CarbonylContact O-C 3.44Å; V604-R816 VanDerWaalsContact O-CA 3.32Å; V604-R816 WeakPolarHBondContact O-CA 3.26Å; V604-F817 HydrophobicContact CG2-CB 3.8Å; V604-F817 PolarHBondContact N-O 3.36Å; V604-F817 PolarHBondContact O-N 3.32Å; V604-V819 HydrophobicContact CG1-CG2 4.42Å; V604-V819 HydrophobicContact CG2-CG2 3.4Å; V604-V819 VanDerWaalsContact CG2-CG2 3.4Å
605	T	93.9	Very high	92.2	Very high	18 Å²	18	36.4 Å²	36.4	11%	0.11	19%	0.185	C	C	.	.			trans	-77.3	173.2	172.5	66.2	0	0	0	0	111.8	D573 Q607	D573-T605 VanDerWaalsContact OD2-CB 3.26Å; D573-T605 WeakPolarHBondContact OD2-CB 3.4Å; D573-T605 VanDerWaalsContact OD2-CG2 3.24Å; D573-T605 WeakPolarHBondContact OD2-CG2 3.41Å; D573-T605 PolarHBondContact OD2-N 3.43Å; D573-T605 PolarHBondContact OD2-OG1 2.79Å; T605-Q607 VanDerWaalsContact C-N 3.33Å; T605-Q607 PolarHBondContact OG1-N 3.21Å
606	D	92.7	Very high	92.3	Very high	76 Å²	76	38.5 Å²	38.5	41%	0.406	21%	0.207	S	C	.	.	S	Bend	trans	-80.7	-12.1	169.5	49.9	-3	0	0	0	113.8	H608 M609 P815 F817	D606-H608 PolarHBondContact O-N 2.95Å; D606-M609 HydrophobicContact CB-CE 4.09Å; D606-M609 HydrophobicContact CB-SD 4.42Å; D606-M609 WeakPolarHBondContact O-CG 3.21Å; D606-M609 PolarHBondContact O-N 2.99Å; D606-P815 HydrophobicContact CB-CG 4.27Å; D606-P815 VanDerWaalsContact OD2-CG 3.28Å; D606-P815 WeakPolarHBondContact OD2-CG 3.29Å; D606-F817 HydrophobicContact CB-CE2 3.85Å
607	Q	91.8	Very high	92.7	Very high	113 Å²	113	38.7 Å²	38.7	53%	0.528	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-42.3	-174.6	-61.4	179.9	-3.6	0	0	112.1	T605	T605-Q607 VanDerWaalsContact C-N 3.33Å; T605-Q607 PolarHBondContact OG1-N 3.21Å
608	H	92	Very high	92.8	Very high	28 Å²	28	40.2 Å²	40.2	13%	0.13	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	20.4	-177.1	-54.5	-65.9	0	0	0	113.6	D573 F581 D606 P610 L611 Y612	D573-H608 IonicContact OD1-CD2 3.83Å; D573-H608 IonicContact OD2-CD2 2.69Å; F581-H608 AromaticContact CE2-CE1 3.76Å; F581-H608 AromaticContact CE2-NE2 3.94Å; D606-H608 PolarHBondContact O-N 2.95Å; H608-P610 VanDerWaalsContact C-CD 3.48Å; H608-L611 HydrophobicContact CB-CB 4.26Å; H608-L611 HydrophobicContact CB-CD2 4.19Å; H608-L611 WeakPolarHBondContact O-CB 3.25Å; H608-L611 PolarHBondContact O-N 3.22Å; H608-L611 VanDerWaalsContact O-N 3.14Å; H608-Y612 HydrophobicContact CB-CD2 4.33Å; H608-Y612 HydrophobicContact CB-CE2 3.88Å; H608-Y612 WeakPolarHBondContact O-CD2 3.45Å; H608-Y612 PolarHBondContact O-N 3.47Å
609	M	92.8	Very high	92.8	Very high	51 Å²	51	42.6 Å²	42.6	25%	0.251	23%	0.225	S	C	.	.	H	α-helix	trans	-53.9	-43.3	175.8	-78.2	-166.1	174.4	0	0	114.2	D606 L611 Y612 H613 F619 F817	D606-M609 HydrophobicContact CB-CE 4.09Å; D606-M609 HydrophobicContact CB-SD 4.42Å; D606-M609 WeakPolarHBondContact O-CG 3.21Å; D606-M609 PolarHBondContact O-N 2.99Å; M609-L611 VanDerWaalsContact C-N 3.3Å; M609-L611 PolarHBondContact O-N 3.31Å; M609-Y612 PolarHBondContact O-N 2.87Å; M609-H613 WeakPolarHBondContact O-CB 3.24Å; M609-H613 PolarHBondContact O-N 3.33Å; M609-F619 HydrophobicContact CB-CE1 4.11Å; M609-F619 HydrophobicContact CB-CZ 4.07Å; M609-F619 HydrophobicContact CE-CB 4.41Å; M609-F619 HydrophobicContact CE-CD1 4.05Å; M609-F619 HydrophobicContact CE-CG 4.26Å; M609-F619 HydrophobicContact CG-CD1 3.97Å; M609-F619 HydrophobicContact CG-CE1 3.7Å; M609-F619 HydrophobicContact CG-CZ 4.11Å; M609-F619 VanDerWaalsContact O-CZ 3.29Å; M609-F619 WeakPolarHBondContact O-CZ 3.47Å; M609-F619 HydrophobicContact SD-CD1 4.42Å; M609-F817 HydrophobicContact CE-CD1 3.66Å; M609-F817 HydrophobicContact CE-CD2 3.61Å; M609-F817 HydrophobicContact CE-CE1 3.41Å; M609-F817 VanDerWaalsContact CE-CE1 3.41Å; M609-F817 HydrophobicContact CE-CE2 3.37Å; M609-F817 HydrophobicContact CE-CG 3.77Å; M609-F817 HydrophobicContact CE-CZ 3.26Å
610	P	92.5	Very high	92.5	Very high	91 Å²	91	43 Å²	43	59%	0.591	23%	0.227	S	C	*	.	H	α-helix	trans	-58.9	-40.5	176.9	-25.1	35.8	0	0	0	112.9	H608 H613 N614	H608-P610 VanDerWaalsContact C-CD 3.48Å; P610-H613 WeakPolarHBondContact O-CB 3.28Å; P610-H613 PolarHBondContact O-N 3.25Å; P610-N614 PolarHBondContact O-N 2.95Å
611	L	93.8	Very high	92	Very high	17 Å²	17	46.2 Å²	46.2	9%	0.089	24%	0.241	C	C	.	.	H	α-helix	trans	-58.7	-55.5	177.2	174.5	70.2	0	0	0	110.7	F581 D582 L585 H608 M609 H613 N614 F615	F581-L611 HydrophobicContact CB-CD1 4.38Å; F581-L611 HydrophobicContact CB-CD2 3.74Å; F581-L611 HydrophobicContact CD2-CD2 4.05Å; F581-L611 HydrophobicContact CG-CD2 4.38Å; D582-L611 HydrophobicContact CB-CD1 4.35Å; D582-L611 VanDerWaalsContact CG-CD1 3.5Å; D582-L611 VanDerWaalsContact OD1-CD1 3.24Å; D582-L611 WeakPolarHBondContact OD1-CD1 3.38Å; L585-L611 HydrophobicContact CD1-CD1 3.93Å; L585-L611 HydrophobicContact CD1-CD2 3.54Å; L585-L611 HydrophobicContact CD1-CG 3.56Å; H608-L611 HydrophobicContact CB-CB 4.26Å; H608-L611 HydrophobicContact CB-CD2 4.19Å; H608-L611 WeakPolarHBondContact O-CB 3.25Å; H608-L611 PolarHBondContact O-N 3.22Å; H608-L611 VanDerWaalsContact O-N 3.14Å; M609-L611 VanDerWaalsContact C-N 3.3Å; M609-L611 PolarHBondContact O-N 3.31Å; L611-H613 PolarHBondContact O-N 3.44Å; L611-N614 WeakPolarHBondContact O-CB 3.47Å; L611-N614 PolarHBondContact O-N 2.95Å; L611-N614 VanDerWaalsContact O-N 3.14Å; L611-F615 HydrophobicContact CD1-CE2 4.14Å; L611-F615 VanDerWaalsContact O-CD2 3.31Å; L611-F615 WeakPolarHBondContact O-CD2 3.28Å
612	Y	94.3	Very high	91.4	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-64	-29.2	-179.7	-63	-63	0	0	0	113.3	D573 P574 L585 F601 V604 H608 M609 N614 F615 N617 F619 V819	D573-Y612 WeakPolarHBondContact CA-OH 3.37Å; D573-Y612 VanDerWaalsContact OD1-CE2 3.3Å; D573-Y612 WeakPolarHBondContact OD1-CE2 3.36Å; D573-Y612 PolarHBondContact OD1-OH 2.93Å; P574-Y612 VanDerWaalsContact CD-OH 3.31Å; P574-Y612 WeakPolarHBondContact CD-OH 3.45Å; L585-Y612 HydrophobicContact CD1-CD1 4.37Å; L585-Y612 HydrophobicContact CD1-CE1 4.32Å; F601-Y612 AromaticContact CD1-CE1 3.69Å; F601-Y612 HydrophobicContact CD1-CE1 3.69Å; F601-Y612 HydrophobicContact CD2-CD1 4.27Å; F601-Y612 HydrophobicContact CD2-CE1 4.08Å; F601-Y612 AromaticContact CE1-CE1 3.79Å; F601-Y612 HydrophobicContact CE1-CE1 3.79Å; F601-Y612 HydrophobicContact CE2-CD1 4.24Å; F601-Y612 HydrophobicContact CE2-CE1 4.16Å; F601-Y612 AromaticContact CG-CE1 3.89Å; F601-Y612 HydrophobicContact CG-CE1 3.89Å; F601-Y612 HydrophobicContact CZ-CD1 4.44Å; F601-Y612 HydrophobicContact CZ-CE1 4.05Å; V604-Y612 HydrophobicContact CB-CE2 4Å; V604-Y612 HydrophobicContact CG1-CE2 4.06Å; V604-Y612 WeakPolarHBondContact CG1-OH 3.27Å; V604-Y612 HydrophobicContact CG2-CE2 4.13Å; H608-Y612 HydrophobicContact CB-CD2 4.33Å; H608-Y612 HydrophobicContact CB-CE2 3.88Å; H608-Y612 WeakPolarHBondContact O-CD2 3.45Å; H608-Y612 PolarHBondContact O-N 3.47Å; M609-Y612 PolarHBondContact O-N 2.87Å; Y612-N614 VanDerWaalsContact C-N 3.33Å; Y612-F615 PolarHBondContact O-N 3.29Å; Y612-N617 WeakPolarHBondContact O-CB 3.49Å; Y612-N617 PolarHBondContact O-ND2 3.21Å; Y612-F619 AromaticContact CD2-CE1 3.99Å; Y612-F619 HydrophobicContact CD2-CE1 3.99Å; Y612-F619 HydrophobicContact CG-CE1 4.27Å; Y612-V819 HydrophobicContact CD1-CG1 4.12Å; Y612-V819 HydrophobicContact CD2-CG2 4.17Å; Y612-V819 HydrophobicContact CG-CG1 4.03Å; Y612-V819 HydrophobicContact CG-CG2 4.25Å
613	H	91.2	Very high	90.9	Very high	126 Å²	126	45.1 Å²	45.1	58%	0.583	24%	0.237	S	C	*	.	H	α-helix	trans	-63.6	-38.3	176.2	-172.4	71.6	0	0	0	112	M609 P610 L611 F615 G616	M609-H613 WeakPolarHBondContact O-CB 3.24Å; M609-H613 PolarHBondContact O-N 3.33Å; P610-H613 WeakPolarHBondContact O-CB 3.28Å; P610-H613 PolarHBondContact O-N 3.25Å; L611-H613 PolarHBondContact O-N 3.44Å; H613-F615 PolarHBondContact O-N 3.14Å; H613-F615 VanDerWaalsContact O-N 3.15Å; H613-G616 PolarHBondContact O-N 3Å
614	N	89.7	Confident	90.7	Very high	116 Å²	116	45.4 Å²	45.4	62%	0.62	24%	0.238	S	C	*	.	H	α-helix	trans	-58.4	-27.6	176.5	-68	-20	0	0	0	112.7	P610 L611 Y612	P610-N614 PolarHBondContact O-N 2.95Å; L611-N614 WeakPolarHBondContact O-CB 3.47Å; L611-N614 PolarHBondContact O-N 2.95Å; L611-N614 VanDerWaalsContact O-N 3.14Å; Y612-N614 VanDerWaalsContact C-N 3.33Å
615	F	90.4	Very high	90.5	Very high	44 Å²	44	45.6 Å²	45.6	19%	0.193	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	10.9	177	-65.7	-85.8	0	0	0	114.3	D582 L585 E586 Y589 L611 Y612 H613 N617	D582-F615 WeakPolarHBondContact O-CZ 3.43Å; L585-F615 HydrophobicContact CB-CD2 4.24Å; L585-F615 HydrophobicContact CB-CE1 3.99Å; L585-F615 HydrophobicContact CB-CE2 3.64Å; L585-F615 HydrophobicContact CB-CZ 3.49Å; L585-F615 VanDerWaalsContact CB-CZ 3.49Å; L585-F615 HydrophobicContact CD1-CD2 4.07Å; L585-F615 HydrophobicContact CD1-CE2 3.8Å; L585-F615 HydrophobicContact CG-CE2 4.4Å; E586-F615 HydrophobicContact CB-CE1 4.13Å; E586-F615 HydrophobicContact CB-CZ 4.4Å; Y589-F615 HydrophobicContact CD2-CB 4.15Å; Y589-F615 AromaticContact CD2-CD1 3.34Å; Y589-F615 HydrophobicContact CD2-CD1 3.34Å; Y589-F615 AromaticContact CD2-CE1 3.92Å; Y589-F615 HydrophobicContact CD2-CE1 3.92Å; Y589-F615 AromaticContact CD2-CG 3.83Å; Y589-F615 HydrophobicContact CD2-CG 3.83Å; Y589-F615 HydrophobicContact CE2-CB 3.61Å; Y589-F615 AromaticContact CE2-CD1 3.66Å; Y589-F615 HydrophobicContact CE2-CD1 3.66Å; Y589-F615 HydrophobicContact CE2-CD2 4.39Å; Y589-F615 HydrophobicContact CE2-CE1 4.48Å; Y589-F615 AromaticContact CE2-CG 3.62Å; Y589-F615 HydrophobicContact CE2-CG 3.62Å; Y589-F615 HydrophobicContact CG-CD1 4.06Å; L611-F615 HydrophobicContact CD1-CE2 4.14Å; L611-F615 VanDerWaalsContact O-CD2 3.31Å; L611-F615 WeakPolarHBondContact O-CD2 3.28Å; Y612-F615 PolarHBondContact O-N 3.29Å; H613-F615 PolarHBondContact O-N 3.14Å; H613-F615 VanDerWaalsContact O-N 3.15Å; F615-N617 WeakPolarHBondContact CB-ND2 3.48Å
616	G	88.1	Confident	90.4	Very high	46 Å²	46	44.7 Å²	44.7	47%	0.474	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.9	29.6	174.4	0	0	0	0	0	114.4	H613 K822	H613-G616 PolarHBondContact O-N 3Å; G616-K822 PolarHBondContact O-N 3.4Å
617	N	92.1	Very high	90.6	Very high	8 Å²	8	41.3 Å²	41.3	4%	0.043	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	165.1	-179.3	-61.4	-59.3	0	0	0	113.9	Y589 Y612 F615 V819 Y820	Y589-N617 VanDerWaalsContact OH-CG 3.3Å; Y589-N617 PolarHBondContact OH-ND2 3.48Å; Y589-N617 PolarHBondContact OH-OD1 2.96Å; Y589-N617 VanDerWaalsContact OH-OD1 3.07Å; Y612-N617 WeakPolarHBondContact O-CB 3.49Å; Y612-N617 PolarHBondContact O-ND2 3.21Å; F615-N617 WeakPolarHBondContact CB-ND2 3.48Å; N617-V819 HydrophobicContact CB-CG1 3.35Å; N617-Y820 CarbonylContact C-O 3.6Å; N617-Y820 WeakPolarHBondContact CA-O 3.19Å
618	Q	90.7	Very high	90.8	Very high	59 Å²	59	36.2 Å²	36.2	28%	0.276	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	150.8	169.9	-62.7	-166.6	-53.5	0	0	109.5	V819 Y820 K822	Q618-V819 WeakPolarHBondContact O-CA 3.47Å; Q618-Y820 HydrophobicContact CB-CE1 4.13Å; Q618-Y820 HydrophobicContact CB-CE2 4.28Å; Q618-Y820 PolarHBondContact N-O 3.3Å; Q618-Y820 PolarHBondContact O-N 3.48Å; Q618-K822 HydrophobicContact CG-CB 3.91Å; Q618-K822 HydrophobicContact CG-CG 4.21Å
619	F	90.8	Very high	91	Very high	58 Å²	58	37.8 Å²	37.8	25%	0.254	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	142.2	-178.2	-54	-92.4	0	0	0	109.4	M609 Y612 F817 L818 V819	M609-F619 HydrophobicContact CB-CE1 4.11Å; M609-F619 HydrophobicContact CB-CZ 4.07Å; M609-F619 HydrophobicContact CE-CB 4.41Å; M609-F619 HydrophobicContact CE-CD1 4.05Å; M609-F619 HydrophobicContact CE-CG 4.26Å; M609-F619 HydrophobicContact CG-CD1 3.97Å; M609-F619 HydrophobicContact CG-CE1 3.7Å; M609-F619 HydrophobicContact CG-CZ 4.11Å; M609-F619 VanDerWaalsContact O-CZ 3.29Å; M609-F619 WeakPolarHBondContact O-CZ 3.47Å; M609-F619 HydrophobicContact SD-CD1 4.42Å; Y612-F619 AromaticContact CD2-CE1 3.99Å; Y612-F619 HydrophobicContact CD2-CE1 3.99Å; Y612-F619 HydrophobicContact CG-CE1 4.27Å; F619-F817 HydrophobicContact CB-CD1 4.19Å; F619-L818 CarbonylContact C-O 3.58Å; F619-L818 WeakPolarHBondContact CA-O 3.2Å; F619-V819 HydrophobicContact CD1-CG2 3.55Å; F619-V819 HydrophobicContact CE1-CG1 4.5Å; F619-V819 HydrophobicContact CE1-CG2 3.67Å
620	F	87.9	Confident	91.1	Very high	10 Å²	10	35.4 Å²	35.4	4%	0.044	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	121.7	170	170.2	-93.3	0	0	0	108.6	L622 V773 E783 A786 F790 F817 L818 Y820 L826	F620-L622 HydrophobicContact CD1-CD2 4.15Å; F620-L622 HydrophobicContact CE1-CD2 4.19Å; F620-L622 PolarHBondContact O-N 3.45Å; F620-V773 HydrophobicContact CE2-CG1 3.44Å; F620-V773 VanDerWaalsContact CE2-CG1 3.44Å; F620-V773 HydrophobicContact CZ-CB 4.41Å; F620-V773 HydrophobicContact CZ-CG1 3.31Å; F620-V773 HydrophobicContact CZ-CG2 4.35Å; F620-E783 HydrophobicContact CD2-CG 4.46Å; F620-E783 HydrophobicContact CE2-CG 4.37Å; F620-A786 HydrophobicContact CE2-CB 4.04Å; F620-A786 HydrophobicContact CZ-CB 3.93Å; F620-F790 AromaticContact CE1-CE2 3.56Å; F620-F790 HydrophobicContact CE1-CE2 3.56Å; F620-F790 HydrophobicContact CE1-CZ 4.12Å; F620-F790 HydrophobicContact CZ-CD2 4.48Å; F620-F790 AromaticContact CZ-CE2 3.83Å; F620-F790 HydrophobicContact CZ-CE2 3.83Å; F620-F817 CarbonylContact O-C 3.58Å; F620-F817 WeakPolarHBondContact O-CA 3.44Å; F620-L818 HydrophobicContact CB-CB 4.34Å; F620-L818 HydrophobicContact CD1-CB 4.28Å; F620-L818 PolarHBondContact N-O 3.38Å; F620-L818 PolarHBondContact O-N 2.91Å; F620-Y820 HydrophobicContact CB-CE1 3.98Å; F620-L826 HydrophobicContact CB-CD1 3.74Å; F620-L826 HydrophobicContact CB-CD2 4.43Å; F620-L826 HydrophobicContact CD1-CD1 3.92Å; F620-L826 HydrophobicContact CD2-CD1 4.07Å; F620-L826 HydrophobicContact CD2-CD2 3.4Å; F620-L826 HydrophobicContact CD2-CG 4.37Å; F620-L826 HydrophobicContact CE2-CD2 3.65Å; F620-L826 HydrophobicContact CG-CD1 3.62Å; F620-L826 HydrophobicContact CG-CD2 3.88Å; F620-L826 HydrophobicContact CG-CG 4.39Å; F620-L826 HydrophobicContact CZ-CD2 4.34Å
621	K	85.8	Confident	91.1	Very high	68 Å²	68	35.4 Å²	35.4	30%	0.296	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	117.5	-178.3	-165.2	172.8	168.3	174.2	0	109.3	E624 L770 P815 F817	K621-E624 WeakPolarHBondContact CE-OE1 3.35Å; K621-E624 IonicContact NZ-OE1 2.64Å; K621-E624 PolarHBondContact NZ-OE1 3.15Å; K621-L770 HydrophobicContact CB-CD1 3.8Å; K621-L770 HydrophobicContact CD-CD1 3.83Å; K621-L770 HydrophobicContact CG-CD1 3.62Å; K621-L770 HydrophobicContact CG-CG 4.44Å; K621-P815 HydrophobicContact CD-CB 4.35Å; K621-F817 HydrophobicContact CB-CD1 3.86Å; K621-F817 HydrophobicContact CB-CE1 3.67Å; K621-F817 HydrophobicContact CB-CZ 4.49Å; K621-F817 HydrophobicContact CD-CE1 4.24Å; K621-F817 HydrophobicContact CD-CZ 4.32Å; K621-F817 HydrophobicContact CG-CD1 4.24Å; K621-F817 HydrophobicContact CG-CE1 3.84Å; K621-F817 HydrophobicContact CG-CZ 4.19Å
622	L	84.6	Confident	91	Very high	3 Å²	3	42 Å²	42	2%	0.016	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	-43	-179.5	-71.8	167.8	0	0	0	111.3	Y602 Q603 F620 M767 L770 F790 R816 F817 L818 L830	Y602-L622 HydrophobicContact CD2-CD1 3.47Å; Y602-L622 VanDerWaalsContact CD2-CD1 3.47Å; Y602-L622 HydrophobicContact CE2-CD1 3.46Å; Y602-L622 VanDerWaalsContact CE2-CD1 3.46Å; Y602-L622 HydrophobicContact CE2-CD2 4.11Å; Y602-L622 HydrophobicContact CE2-CG 4.4Å; Y602-L622 HydrophobicContact CG-CD1 4.47Å; Q603-L622 HydrophobicContact CG-CD1 4.42Å; F620-L622 HydrophobicContact CD1-CD2 4.15Å; F620-L622 HydrophobicContact CE1-CD2 4.19Å; F620-L622 PolarHBondContact O-N 3.45Å; L622-M767 HydrophobicContact CB-SD 4.48Å; L622-L770 PolarHBondContact O-N 3.32Å; L622-L770 VanDerWaalsContact O-N 3.16Å; L622-F790 HydrophobicContact CD2-CZ 3.82Å; L622-R816 PolarHBondContact N-O 3.37Å; L622-F817 VanDerWaalsContact CD1-C 3.44Å; L622-F817 WeakPolarHBondContact CD1-O 3.1Å; L622-L818 HydrophobicContact CD1-CB 3.92Å; L622-L818 HydrophobicContact CD2-CB 3.85Å; L622-L818 HydrophobicContact CG-CB 3.8Å; L622-L830 HydrophobicContact CD2-CD2 3.96Å
623	G	84.7	Confident	90.9	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.3	-167.9	-165.5	0	0	0	0	0	111.4	A768 R816	G623-A768 CarbonylContact C-O 3.54Å; G623-A768 WeakPolarHBondContact CA-O 3.46Å; G623-R816 PolarHBondContact N-O 3.31Å; G623-R816 PolarHBondContact O-N 3.09Å
624	E	88.7	Confident	90.9	Very high	22 Å²	22	38.8 Å²	38.8	10%	0.103	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	138.1	174.6	-59.8	177.6	160.1	0	0	109.2	K621 M767 A768 R803 W813 E814	K621-E624 WeakPolarHBondContact CE-OE1 3.35Å; K621-E624 IonicContact NZ-OE1 2.64Å; K621-E624 PolarHBondContact NZ-OE1 3.15Å; E624-M767 CarbonylContact O-C 3.57Å; E624-A768 PolarHBondContact N-O 3.48Å; E624-A768 PolarHBondContact O-N 3.37Å; E624-R803 IonicContact OE2-CZ 3.16Å; E624-R803 IonicContact OE2-NH1 3.72Å; E624-R803 PolarHBondContact OE2-NH1 2.96Å; E624-R803 IonicContact OE2-NH2 3.03Å; E624-R803 PolarHBondContact OE2-NH2 3.32Å; E624-W813 HydrophobicContact CB-CB 4.22Å; E624-W813 HydrophobicContact CB-CD2 4.42Å; E624-W813 HydrophobicContact CB-CE3 3.67Å; E624-W813 HydrophobicContact CB-CZ3 4.43Å; E624-E814 CarbonylContact C-O 3.32Å; E624-E814 WeakPolarHBondContact CA-O 3.17Å
625	E	91.3	Very high	90.9	Very high	3 Å²	3	34.5 Å²	34.5	1%	0.014	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	143	169.7	-78.8	174.9	-153.9	0	0	110.7	Y537 I627 N764 M767 W813 E814 R816	Y537-E625 WeakPolarHBondContact CD2-OE2 3.23Å; E625-I627 HydrophobicContact CB-CD1 4.17Å; E625-N764 PolarHBondContact OE2-ND2 3.19Å; E625-M767 HydrophobicContact CG-CB 4Å; E625-W813 WeakPolarHBondContact O-CA 3.5Å; E625-E814 PolarHBondContact N-O 3.12Å; E625-E814 PolarHBondContact O-N 3.48Å; E625-R816 VanDerWaalsContact CD-NH2 3.33Å; E625-R816 HydrophobicContact CG-CG 3.99Å; E625-R816 WeakPolarHBondContact OE1-CD 3.31Å; E625-R816 IonicContact OE1-CZ 2.79Å; E625-R816 IonicContact OE1-NE 3.77Å; E625-R816 PolarHBondContact OE1-NE 3.37Å; E625-R816 IonicContact OE1-NH2 2.87Å; E625-R816 IonicContact OE2-CZ 2.83Å; E625-R816 IonicContact OE2-NE 2.83Å; E625-R816 PolarHBondContact OE2-NE 2.66Å; E625-R816 IonicContact OE2-NH2 3.02Å; E625-R816 PolarHBondContact OE2-NH2 3.37Å
626	A	93.7	Very high	90.7	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	101.4	-179.8	0	0	0	0	0	109.7	M765 G766 K806 P811 W813	A626-M765 HydrophobicContact CB-CB 4.13Å; A626-M765 PolarHBondContact O-N 3.18Å; A626-G766 PolarHBondContact N-O 3.09Å; A626-K806 HydrophobicContact CB-CB 4.11Å; A626-K806 HydrophobicContact CB-CD 3.94Å; A626-K806 HydrophobicContact CB-CG 4.47Å; A626-P811 HydrophobicContact CB-CB 3.66Å; A626-P811 HydrophobicContact CB-CG 3.89Å; A626-W813 HydrophobicContact CB-CE3 4.13Å; A626-W813 HydrophobicContact CB-CH2 3.95Å; A626-W813 HydrophobicContact CB-CZ3 3.68Å
627	I	95.3	Very high	90.5	Very high	5 Å²	5	36 Å²	36	3%	0.026	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	119.7	-179.4	-49.2	-54.3	0	0	0	109.5	Y537 E625 K762 N764 P811 N812 E814	Y537-I627 HydrophobicContact CD2-CD1 4.43Å; Y537-I627 HydrophobicContact CE1-CD1 4.4Å; Y537-I627 HydrophobicContact CE2-CD1 3.77Å; Y537-I627 HydrophobicContact CE2-CG1 4.47Å; E625-I627 HydrophobicContact CB-CD1 4.17Å; I627-K762 HydrophobicContact CG2-CB 4.13Å; I627-K762 HydrophobicContact CG2-CD 4.16Å; I627-K762 HydrophobicContact CG2-CG 4.29Å; I627-N764 HydrophobicContact CD1-CB 3.74Å; I627-N764 VanDerWaalsContact CD1-CG 3.41Å; I627-N764 WeakPolarHBondContact CD1-OD1 3.35Å; I627-P811 CarbonylContact O-C 3.51Å; I627-P811 WeakPolarHBondContact O-CA 3.46Å; I627-N812 PolarHBondContact N-O 3.09Å; I627-N812 PolarHBondContact O-N 3.4Å; I627-E814 HydrophobicContact CG1-CG 3.97Å
628	I	96.2	Very high	90.2	Very high	5 Å²	5	45.2 Å²	45.2	3%	0.026	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	125.3	175.9	-51.2	-57.3	0	0	0	109	L630 F633 L752 K762 F763 M765 P811	I628-L630 HydrophobicContact CG2-CD2 4.49Å; I628-L630 PolarHBondContact O-N 3.12Å; I628-F633 HydrophobicContact CG2-CB 4.23Å; I628-F633 HydrophobicContact CG2-CD2 4Å; I628-F633 HydrophobicContact CG2-CG 4.34Å; I628-L752 HydrophobicContact CB-CD2 3.97Å; I628-L752 HydrophobicContact CG1-CD2 4.02Å; I628-L752 HydrophobicContact CG2-CD2 3.99Å; I628-K762 CarbonylContact O-C 3.59Å; I628-K762 VanDerWaalsContact O-CA 3.31Å; I628-K762 WeakPolarHBondContact O-CA 2.97Å; I628-F763 HydrophobicContact CB-CB 4.3Å; I628-F763 PolarHBondContact N-O 2.98Å; I628-F763 PolarHBondContact O-N 3.18Å; I628-M765 HydrophobicContact CD1-SD 3.85Å; I628-M765 HydrophobicContact CG1-CG 3.94Å; I628-M765 HydrophobicContact CG1-SD 3.8Å; I628-P811 HydrophobicContact CD1-CB 3.63Å; I628-P811 HydrophobicContact CD1-CG 4.48Å
629	D	95.7	Very high	89.8	Confident	61 Å²	61	52.1 Å²	52.1	33%	0.326	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	106.5	168	-177.2	-11.3	0	0	0	109.1	T631 Q632 F633	D629-T631 VanDerWaalsContact C-N 3.25Å; D629-T631 PolarHBondContact O-N 2.99Å; D629-T631 WeakPolarHBondContact OD1-CB 3.24Å; D629-T631 PolarHBondContact OD1-N 2.91Å; D629-T631 PolarHBondContact OD1-OG1 3.33Å; D629-T631 PolarHBondContact OD2-OG1 3.49Å; D629-Q632 PolarHBondContact O-N 3.44Å; D629-Q632 WeakPolarHBondContact OD2-CG 3.13Å; D629-Q632 PolarHBondContact OD2-NE2 2.94Å; D629-F633 PolarHBondContact O-N 3.49Å
630	L	95.7	Very high	89.7	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.005	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-22.9	-177.5	-66.8	175.9	0	0	0	112.1	I628 Q632 F633 L752 K756 Y760 T761 F763	I628-L630 HydrophobicContact CG2-CD2 4.49Å; I628-L630 PolarHBondContact O-N 3.12Å; L630-Q632 PolarHBondContact O-N 3.48Å; L630-F633 HydrophobicContact CD2-CB 4.49Å; L630-F633 PolarHBondContact O-N 2.75Å; L630-L752 HydrophobicContact CD2-CB 4.33Å; L630-L752 HydrophobicContact CD2-CD2 3.67Å; L630-K756 HydrophobicContact CB-CB 4.4Å; L630-K756 WeakPolarHBondContact O-CD 3.44Å; L630-K756 WeakPolarHBondContact O-CE 3.39Å; L630-Y760 WeakPolarHBondContact CB-O 3.47Å; L630-Y760 VanDerWaalsContact CD1-O 3.3Å; L630-Y760 WeakPolarHBondContact CD1-O 3.13Å; L630-T761 WeakPolarHBondContact CB-O 3.35Å; L630-T761 PolarHBondContact N-O 3.35Å; L630-F763 HydrophobicContact CD1-CB 4.1Å; L630-F763 HydrophobicContact CD2-CB 3.97Å; L630-F763 HydrophobicContact CG-CB 4.09Å
631	T	92.9	Very high	89.8	Confident	91 Å²	91	60.5 Å²	60.5	56%	0.558	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-32	176.3	75	0	0	0	0	111.3	D629	D629-T631 VanDerWaalsContact C-N 3.25Å; D629-T631 PolarHBondContact O-N 2.99Å; D629-T631 WeakPolarHBondContact OD1-CB 3.24Å; D629-T631 PolarHBondContact OD1-N 2.91Å; D629-T631 PolarHBondContact OD1-OG1 3.33Å; D629-T631 PolarHBondContact OD2-OG1 3.49Å
632	Q	92	Very high	90	Very high	155 Å²	155	59.5 Å²	59.5	72%	0.724	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	-11.6	178.5	-59.4	-175.5	15.9	0	0	113.4	D629 L630 S634	D629-Q632 PolarHBondContact O-N 3.44Å; D629-Q632 WeakPolarHBondContact OD2-CG 3.13Å; D629-Q632 PolarHBondContact OD2-NE2 2.94Å; L630-Q632 PolarHBondContact O-N 3.48Å; Q632-S634 PolarHBondContact O-N 2.96Å
633	F	92.4	Very high	90.4	Very high	8 Å²	8	60.1 Å²	60.1	4%	0.035	31%	0.313	C	S	.	.			trans	-67.3	131.4	-178	-176.9	-104.8	0	0	0	111.6	I628 D629 L630 T635 F643 L749 L752 L753 K756 Y809	I628-F633 HydrophobicContact CG2-CB 4.23Å; I628-F633 HydrophobicContact CG2-CD2 4Å; I628-F633 HydrophobicContact CG2-CG 4.34Å; D629-F633 PolarHBondContact O-N 3.49Å; L630-F633 HydrophobicContact CD2-CB 4.49Å; L630-F633 PolarHBondContact O-N 2.75Å; F633-T635 HydrophobicContact CE1-CG2 4.25Å; F633-T635 HydrophobicContact CZ-CG2 4.28Å; F633-F643 HydrophobicContact CE2-CE2 4.25Å; F633-L749 HydrophobicContact CZ-CD2 4.06Å; F633-L752 HydrophobicContact CD1-CB 4.05Å; F633-L752 HydrophobicContact CD2-CD1 4.35Å; F633-L752 HydrophobicContact CE1-CB 3.64Å; F633-L752 HydrophobicContact CE1-CD1 4.18Å; F633-L752 HydrophobicContact CE2-CD1 3.74Å; F633-L752 HydrophobicContact CZ-CB 3.98Å; F633-L752 HydrophobicContact CZ-CD1 3.64Å; F633-L752 HydrophobicContact CZ-CG 4.45Å; F633-L753 HydrophobicContact CE1-CD2 4.28Å; F633-K756 PolarHBondContact O-NZ 3.1Å; F633-Y809 HydrophobicContact CE2-CD1 4.31Å
634	S	90	Very high	90.8	Very high	52 Å²	52	63.7 Å²	63.7	36%	0.364	33%	0.326	S	S	.	.			trans	-150.7	143.7	175.4	-174.4	0	0	0	0	110.6	Q632 S636 R640	Q632-S634 PolarHBondContact O-N 2.96Å; S634-S636 VanDerWaalsContact C-N 3.34Å; S634-S636 WeakPolarHBondContact OG-CB 3.47Å; S634-S636 PolarHBondContact OG-N 2.9Å; S634-S636 VanDerWaalsContact OG-N 3.11Å; S634-R640 WeakPolarHBondContact O-CG 3.37Å
635	T	89.4	Confident	91.1	Very high	25 Å²	25	65.5 Å²	65.5	15%	0.153	35%	0.345	C	S	.	.	S	Bend	trans	-87.2	-8.7	170.4	55.5	0	0	0	0	111.8	F633 R640 R644 L647 L749 L753	F633-T635 HydrophobicContact CE1-CG2 4.25Å; F633-T635 HydrophobicContact CZ-CG2 4.28Å; T635-R640 WeakPolarHBondContact O-CB 3.29Å; T635-R644 WeakPolarHBondContact O-CD 3.46Å; T635-R644 WeakPolarHBondContact O-CG 3.36Å; T635-R644 PolarHBondContact O-NH1 3.38Å; T635-L647 HydrophobicContact CG2-CD1 3.86Å; T635-L749 HydrophobicContact CG2-CD2 4.48Å; T635-L753 HydrophobicContact CG2-CD1 4.49Å; T635-L753 HydrophobicContact CG2-CD2 4.17Å
636	S	86.8	Confident	91.2	Very high	77 Å²	77	66.2 Å²	66.2	54%	0.538	35%	0.35	S	S	.	.			trans	-80.3	160.1	179.5	-65.7	0	0	0	0	113	S634	S634-S636 VanDerWaalsContact C-N 3.34Å; S634-S636 WeakPolarHBondContact OG-CB 3.47Å; S634-S636 PolarHBondContact OG-N 2.9Å; S634-S636 VanDerWaalsContact OG-N 3.11Å
637	G	84.5	Confident	91.2	Very high	44 Å²	44	67.1 Å²	67.1	45%	0.454	35%	0.354	S	S	.	.	S	Bend	trans	94.7	167.1	175.1	0	0	0	0	0	115.6	K639 R640 R644	G637-K639 PolarHBondContact O-N 2.88Å; G637-R640 PolarHBondContact O-N 2.99Å; G637-R644 PolarHBondContact O-NH1 3.2Å; G637-R644 PolarHBondContact O-NH2 2.97Å
638	K	84.9	Confident	91.1	Very high	203 Å²	203	71 Å²	71	88%	0.883	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-63.4	-41.6	-170.5	-169.1	177.5	-178.5	179	0	113	R640	K638-R640 PolarHBondContact O-N 2.97Å
639	K	83.4	Confident	91	Very high	204 Å²	204	74.5 Å²	74.5	89%	0.887	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-69.1	-16.6	-179.4	-65.1	-174.2	-179.8	179.7	0	113.6	G637	G637-K639 PolarHBondContact O-N 2.88Å
640	R	88.1	Confident	90.9	Very high	52 Å²	52	71.6 Å²	71.6	20%	0.196	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-108.4	13.9	-175.3	-55.4	-60.3	-170.4	-176.2	6.1	113.5	S634 T635 G637 K638 G642 F643 R644 K808 Y809	S634-R640 WeakPolarHBondContact O-CG 3.37Å; T635-R640 WeakPolarHBondContact O-CB 3.29Å; G637-R640 PolarHBondContact O-N 2.99Å; K638-R640 PolarHBondContact O-N 2.97Å; R640-G642 PolarHBondContact O-N 3.2Å; R640-F643 HydrophobicContact CB-CD2 4.3Å; R640-F643 HydrophobicContact CG-CD2 4.47Å; R640-F643 VanDerWaalsContact NH1-CE2 3.35Å; R640-F643 PolarHBondContact O-N 3.39Å; R640-R644 PolarHBondContact O-N 2.94Å; R640-K808 PolarHBondContact NH1-O 3.32Å; R640-Y809 PolarHBondContact NH2-O 3.04Å
641	R	89	Confident	90.8	Very high	192 Å²	192	76.1 Å²	76.1	73%	0.725	40%	0.399	S	S	*	.	H	α-helix	trans	-53	-39.1	177.9	-178.9	-177.6	-105.8	-179.3	-5.2	112.3	F643 R644 A645	R641-F643 PolarHBondContact O-N 3.06Å; R641-R644 PolarHBondContact O-N 3Å; R641-A645 WeakPolarHBondContact O-CB 3.34Å; R641-A645 PolarHBondContact O-N 2.93Å
642	G	90.9	Very high	90.9	Very high	47 Å²	47	79 Å²	79	49%	0.485	41%	0.406	S	S	.	.	H	α-helix	trans	-60.4	-41.7	177	0	0	0	0	0	113.1	R640 R644 A645 T646	R640-G642 PolarHBondContact O-N 3.2Å; G642-R644 PolarHBondContact O-N 3.02Å; G642-A645 PolarHBondContact O-N 3.17Å; G642-T646 PolarHBondContact O-N 3.41Å; G642-T646 PolarHBondContact O-OG1 3.34Å; G642-T646 VanDerWaalsContact O-OG1 3.12Å
643	F	93.9	Very high	90.9	Very high	15 Å²	15	74.8 Å²	74.8	7%	0.066	39%	0.388	C	S	.	.	H	α-helix	trans	-65	-41.4	178.6	-63.3	-12.3	0	0	0	112.2	F633 R640 R641 T646 L647 L749 K808 Y809	F633-F643 HydrophobicContact CE2-CE2 4.25Å; R640-F643 HydrophobicContact CB-CD2 4.3Å; R640-F643 HydrophobicContact CG-CD2 4.47Å; R640-F643 VanDerWaalsContact NH1-CE2 3.35Å; R640-F643 PolarHBondContact O-N 3.39Å; R641-F643 PolarHBondContact O-N 3.06Å; F643-T646 PolarHBondContact O-N 2.98Å; F643-L647 WeakPolarHBondContact O-CG 3.49Å; F643-L647 PolarHBondContact O-N 2.97Å; F643-L749 HydrophobicContact CB-CD1 4Å; F643-L749 HydrophobicContact CB-CD2 3.81Å; F643-L749 HydrophobicContact CD1-CD1 4.36Å; F643-L749 HydrophobicContact CD1-CD2 4.08Å; F643-L749 HydrophobicContact CD2-CD2 3.79Å; F643-L749 HydrophobicContact CE2-CD2 4.33Å; F643-L749 HydrophobicContact CG-CD1 4.34Å; F643-L749 HydrophobicContact CG-CD2 3.66Å; F643-K808 HydrophobicContact CE1-CD 4.28Å; F643-K808 HydrophobicContact CE1-CG 3.96Å; F643-K808 HydrophobicContact CZ-CG 4.04Å; F643-K808 WeakPolarHBondContact CZ-O 3.24Å; F643-Y809 HydrophobicContact CE1-CD1 4.41Å; F643-Y809 HydrophobicContact CE1-CE1 4.21Å; F643-Y809 AromaticContact CE2-CD1 3.99Å; F643-Y809 HydrophobicContact CE2-CD1 3.99Å; F643-Y809 HydrophobicContact CE2-CE1 4.36Å; F643-Y809 AromaticContact CZ-CD1 3.67Å; F643-Y809 HydrophobicContact CZ-CD1 3.67Å; F643-Y809 AromaticContact CZ-CE1 3.9Å; F643-Y809 HydrophobicContact CZ-CE1 3.9Å; F643-Y809 HydrophobicContact CZ-CG 4.18Å
644	R	93.1	Very high	91	Very high	76 Å²	76	79.6 Å²	79.6	29%	0.287	41%	0.414	S	S	.	.	H	α-helix	trans	-66.7	-40.4	175.1	-63	-167.1	-57.5	-78.5	2.8	112.3	T635 G637 R640 R641 G642 T646 L647 N648	T635-R644 WeakPolarHBondContact O-CD 3.46Å; T635-R644 WeakPolarHBondContact O-CG 3.36Å; T635-R644 PolarHBondContact O-NH1 3.38Å; G637-R644 PolarHBondContact O-NH1 3.2Å; G637-R644 PolarHBondContact O-NH2 2.97Å; R640-R644 PolarHBondContact O-N 2.94Å; R641-R644 PolarHBondContact O-N 3Å; G642-R644 PolarHBondContact O-N 3.02Å; R644-T646 VanDerWaalsContact C-N 3.26Å; R644-T646 PolarHBondContact O-N 2.99Å; R644-L647 PolarHBondContact O-N 3.31Å; R644-N648 VanDerWaalsContact O-CB 3.32Å; R644-N648 WeakPolarHBondContact O-CB 3.21Å; R644-N648 PolarHBondContact O-N 3.36Å; R644-N648 PolarHBondContact O-OD1 3.17Å; R644-N648 VanDerWaalsContact O-OD1 3.1Å
645	A	93.6	Very high	91.2	Very high	59 Å²	59	77.6 Å²	77.6	49%	0.488	40%	0.399	S	S	.	.	H	α-helix	trans	-60.8	-39.3	175.8	0	0	0	0	0	111.5	R641 G642 K649	R641-A645 WeakPolarHBondContact O-CB 3.34Å; R641-A645 PolarHBondContact O-N 2.93Å; G642-A645 PolarHBondContact O-N 3.17Å; A645-K649 WeakPolarHBondContact O-CB 3.49Å; A645-K649 PolarHBondContact O-N 3.4Å
646	T	93.3	Very high	91.5	Very high	19 Å²	19	79.1 Å²	79.1	12%	0.117	41%	0.411	C	S	.	.	H	α-helix	trans	-64	-49.9	174	-60.7	0	0	0	0	112.2	G642 F643 R644 K649 F650 P742 D745 L749	G642-T646 PolarHBondContact O-N 3.41Å; G642-T646 PolarHBondContact O-OG1 3.34Å; G642-T646 VanDerWaalsContact O-OG1 3.12Å; F643-T646 PolarHBondContact O-N 2.98Å; R644-T646 VanDerWaalsContact C-N 3.26Å; R644-T646 PolarHBondContact O-N 2.99Å; T646-K649 PolarHBondContact O-N 3.36Å; T646-F650 HydrophobicContact CG2-CD2 3.88Å; T646-F650 HydrophobicContact CG2-CE2 3.45Å; T646-F650 VanDerWaalsContact CG2-CE2 3.45Å; T646-F650 WeakPolarHBondContact O-CD2 3.29Å; T646-F650 PolarHBondContact O-N 2.85Å; T646-P742 HydrophobicContact CG2-CG 3.98Å; T646-D745 HydrophobicContact CG2-CB 3.9Å; T646-L749 HydrophobicContact CG2-CD1 4.01Å
647	L	94.1	Very high	91.9	Very high	18 Å²	18	77.3 Å²	77.3	9%	0.094	39%	0.393	C	S	.	.	H	α-helix	trans	-60.8	-49	178.9	-71	169.1	0	0	0	111.5	T635 F643 R644 K649 F650 D651 L749 L753	T635-L647 HydrophobicContact CG2-CD1 3.86Å; F643-L647 WeakPolarHBondContact O-CG 3.49Å; F643-L647 PolarHBondContact O-N 2.97Å; R644-L647 PolarHBondContact O-N 3.31Å; L647-K649 VanDerWaalsContact C-N 3.26Å; L647-K649 PolarHBondContact O-N 3.49Å; L647-F650 PolarHBondContact O-N 3.21Å; L647-D651 PolarHBondContact O-N 3.44Å; L647-L749 HydrophobicContact CD2-CB 3.97Å; L647-L749 HydrophobicContact CD2-CD1 4.45Å; L647-L749 HydrophobicContact CG-CB 4.42Å; L647-L749 HydrophobicContact CG-CD1 4.15Å; L647-L753 HydrophobicContact CD1-CD1 4Å; L647-L753 HydrophobicContact CD2-CD1 4.42Å
648	N	94	Very high	92.4	Very high	86 Å²	86	79 Å²	79	46%	0.46	39%	0.389	S	S	.	.	H	α-helix	trans	-58.6	-36.9	176.8	-68.7	14.6	0	0	0	112.3	R644 F650 D651 E652	R644-N648 VanDerWaalsContact O-CB 3.32Å; R644-N648 WeakPolarHBondContact O-CB 3.21Å; R644-N648 PolarHBondContact O-N 3.36Å; R644-N648 PolarHBondContact O-OD1 3.17Å; R644-N648 VanDerWaalsContact O-OD1 3.1Å; N648-F650 VanDerWaalsContact C-N 3.33Å; N648-D651 PolarHBondContact O-N 3.19Å; N648-E652 WeakPolarHBondContact O-CB 3.29Å; N648-E652 VanDerWaalsContact O-CG 3.25Å; N648-E652 WeakPolarHBondContact O-CG 3.36Å; N648-E652 PolarHBondContact O-N 3.5Å
649	K	93.7	Very high	93	Very high	80 Å²	80	70.9 Å²	70.9	35%	0.348	36%	0.355	S	S	.	.	H	α-helix	trans	-63.9	-39.3	176.2	-177.6	179.5	179	-175.7	0	111.4	A645 T646 L647 L653	A645-K649 WeakPolarHBondContact O-CB 3.49Å; A645-K649 PolarHBondContact O-N 3.4Å; T646-K649 PolarHBondContact O-N 3.36Å; L647-K649 VanDerWaalsContact C-N 3.26Å; L647-K649 PolarHBondContact O-N 3.49Å; K649-L653 HydrophobicContact CG-CD1 4.15Å; K649-L653 VanDerWaalsContact O-CG 3.28Å; K649-L653 WeakPolarHBondContact O-CG 3.17Å; K649-L653 PolarHBondContact O-N 3.03Å
650	F	94.4	Very high	93.6	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-68.8	-41.2	175.6	-72.4	-62.3	0	0	0	111.3	T646 L647 N648 L653 N654 I655 M706 L741 P742 L743	T646-F650 HydrophobicContact CG2-CD2 3.88Å; T646-F650 HydrophobicContact CG2-CE2 3.45Å; T646-F650 VanDerWaalsContact CG2-CE2 3.45Å; T646-F650 WeakPolarHBondContact O-CD2 3.29Å; T646-F650 PolarHBondContact O-N 2.85Å; L647-F650 PolarHBondContact O-N 3.21Å; N648-F650 VanDerWaalsContact C-N 3.33Å; F650-L653 CarbonylContact O-C 3.59Å; F650-L653 PolarHBondContact O-N 2.88Å; F650-N654 PolarHBondContact O-N 3.31Å; F650-I655 HydrophobicContact CB-CB 4.28Å; F650-I655 HydrophobicContact CD1-CB 3.97Å; F650-I655 HydrophobicContact CD1-CD1 3.66Å; F650-I655 HydrophobicContact CD1-CG1 4.39Å; F650-I655 HydrophobicContact CD1-CG2 3.85Å; F650-I655 HydrophobicContact CE1-CD1 4.1Å; F650-I655 PolarHBondContact O-N 3.37Å; F650-M706 HydrophobicContact CD1-CE 3.59Å; F650-M706 HydrophobicContact CD2-CE 4.25Å; F650-M706 HydrophobicContact CE1-CE 3.57Å; F650-M706 HydrophobicContact CE2-CE 4.22Å; F650-M706 HydrophobicContact CG-CE 3.96Å; F650-M706 HydrophobicContact CZ-CE 3.9Å; F650-L741 HydrophobicContact CE1-CB 4.36Å; F650-P742 HydrophobicContact CE2-CG 4.16Å; F650-P742 HydrophobicContact CZ-CG 4.01Å; F650-L743 HydrophobicContact CE1-CD2 3.91Å; F650-L743 HydrophobicContact CZ-CD2 4.31Å
651	D	92.5	Very high	93.9	Very high	96 Å²	96	65.8 Å²	65.8	51%	0.513	34%	0.338	S	S	.	.	H	α-helix	trans	-62	-42.6	174.7	-61.6	-27.2	0	0	0	111.9	L647 N648 L653 N654	L647-D651 PolarHBondContact O-N 3.44Å; N648-D651 PolarHBondContact O-N 3.19Å; D651-L653 VanDerWaalsContact C-N 3.27Å; D651-L653 PolarHBondContact O-N 3.39Å; D651-N654 PolarHBondContact O-N 2.68Å; D651-N654 VanDerWaalsContact O-N 3.14Å
652	E	93.9	Very high	94.1	Very high	151 Å²	151	58.8 Å²	58.8	71%	0.706	32%	0.317	S	S	*	.	H	α-helix	trans	-63.6	-29.9	177.3	-79.2	171.4	-165.5	0	0	113.1	N648 N654	N648-E652 WeakPolarHBondContact O-CB 3.29Å; N648-E652 VanDerWaalsContact O-CG 3.25Å; N648-E652 WeakPolarHBondContact O-CG 3.36Å; N648-E652 PolarHBondContact O-N 3.5Å; E652-N654 VanDerWaalsContact C-N 3.32Å
653	L	93.3	Very high	94.3	Very high	66 Å²	66	62.6 Å²	62.6	35%	0.346	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	12.4	177.5	-65.9	173.3	0	0	0	112.6	K649 F650 D651 I655 E709 L741	K649-L653 HydrophobicContact CG-CD1 4.15Å; K649-L653 VanDerWaalsContact O-CG 3.28Å; K649-L653 WeakPolarHBondContact O-CG 3.17Å; K649-L653 PolarHBondContact O-N 3.03Å; F650-L653 CarbonylContact O-C 3.59Å; F650-L653 PolarHBondContact O-N 2.88Å; D651-L653 VanDerWaalsContact C-N 3.27Å; D651-L653 PolarHBondContact O-N 3.39Å; L653-I655 HydrophobicContact CB-CD1 3.85Å; L653-I655 HydrophobicContact CB-CG1 4.03Å; L653-I655 HydrophobicContact CD1-CD1 4.13Å; L653-I655 PolarHBondContact O-N 3.24Å; L653-E709 WeakPolarHBondContact O-CG 3.46Å; L653-L741 HydrophobicContact CD1-CD1 4.35Å; L653-L741 HydrophobicContact CD1-CD2 3.53Å
654	N	93.5	Very high	94.3	Very high	109 Å²	109	63 Å²	63	58%	0.583	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.3	36.8	-174.2	-54.6	-69.2	0	0	0	113.8	F650 D651 E652 S656 E709	F650-N654 PolarHBondContact O-N 3.31Å; D651-N654 PolarHBondContact O-N 2.68Å; D651-N654 VanDerWaalsContact O-N 3.14Å; E652-N654 VanDerWaalsContact C-N 3.32Å; N654-S656 PolarHBondContact O-N 2.95Å; N654-E709 HydrophobicContact CB-CG 3.96Å; N654-E709 PolarHBondContact ND2-OE1 3.42Å
655	I	95.4	Very high	94.4	Very high	11 Å²	11	62.3 Å²	62.3	6%	0.056	34%	0.342	C	S	.	.			trans	-84.5	113.2	176.7	-68.8	167.9	0	0	0	108.3	F650 L653 M706 R707 I714 L741	F650-I655 HydrophobicContact CB-CB 4.28Å; F650-I655 HydrophobicContact CD1-CB 3.97Å; F650-I655 HydrophobicContact CD1-CD1 3.66Å; F650-I655 HydrophobicContact CD1-CG1 4.39Å; F650-I655 HydrophobicContact CD1-CG2 3.85Å; F650-I655 HydrophobicContact CE1-CD1 4.1Å; F650-I655 PolarHBondContact O-N 3.37Å; L653-I655 HydrophobicContact CB-CD1 3.85Å; L653-I655 HydrophobicContact CB-CG1 4.03Å; L653-I655 HydrophobicContact CD1-CD1 4.13Å; L653-I655 PolarHBondContact O-N 3.24Å; I655-M706 HydrophobicContact CG2-CB 4.25Å; I655-M706 HydrophobicContact CG2-CE 3.54Å; I655-R707 CarbonylContact C-O 3.55Å; I655-R707 VanDerWaalsContact CA-O 3.24Å; I655-R707 WeakPolarHBondContact CA-O 3.38Å; I655-R707 WeakPolarHBondContact CG2-O 3.49Å; I655-I714 HydrophobicContact CD1-CD1 4.06Å; I655-I714 HydrophobicContact CG1-CD1 4.29Å; I655-I714 HydrophobicContact CG2-CD1 4.02Å; I655-L741 HydrophobicContact CD1-CD1 3.55Å
656	S	94.5	Very high	94.4	Very high	56 Å²	56	64.1 Å²	64.1	39%	0.392	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	154.2	-179.8	65.9	0	0	0	0	111.5	N654 M706 R707	N654-S656 PolarHBondContact O-N 2.95Å; S656-M706 CarbonylContact O-C 3.42Å; S656-M706 VanDerWaalsContact O-CA 3.22Å; S656-M706 WeakPolarHBondContact O-CA 3.25Å; S656-R707 PolarHBondContact N-O 3.44Å; S656-R707 PolarHBondContact O-N 3.11Å
657	F	96.2	Very high	94.4	Very high	39 Å²	39	70.2 Å²	70.2	17%	0.171	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	128.5	169.3	176.9	-92.6	0	0	0	109.5	I659 V705 M706 L747 H750 M751 W754	F657-I659 HydrophobicContact CE1-CD1 3.51Å; F657-I659 HydrophobicContact CE1-CG1 3.97Å; F657-I659 HydrophobicContact CE2-CD1 4.44Å; F657-I659 HydrophobicContact CZ-CD1 3.39Å; F657-I659 HydrophobicContact CZ-CG1 4.35Å; F657-V705 WeakPolarHBondContact CA-O 3.48Å; F657-V705 WeakPolarHBondContact CD2-O 3.38Å; F657-M706 HydrophobicContact CB-CG 4.48Å; F657-M706 HydrophobicContact CD2-CG 3.79Å; F657-L747 HydrophobicContact CD2-CD2 4.26Å; F657-L747 HydrophobicContact CE2-CD2 3.91Å; F657-H750 HydrophobicContact CB-CB 4Å; F657-H750 HydrophobicContact CD1-CB 3.49Å; F657-H750 VanDerWaalsContact CD1-CB 3.49Å; F657-H750 HydrophobicContact CD2-CB 3.77Å; F657-H750 HydrophobicContact CE1-CB 3.75Å; F657-H750 HydrophobicContact CE2-CB 4.03Å; F657-H750 HydrophobicContact CG-CB 3.46Å; F657-H750 VanDerWaalsContact CG-CB 3.46Å; F657-H750 AromaticContact CG-CG 3.74Å; F657-H750 HydrophobicContact CZ-CB 4Å; F657-M751 HydrophobicContact CZ-CG 4.11Å; F657-W754 HydrophobicContact CE1-CB 4.48Å
658	E	95.3	Very high	94.5	Very high	79 Å²	79	70 Å²	70	37%	0.369	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	149.1	177.5	62.1	-177.5	173.8	0	0	110.5	I660 G704 V705 R707	E658-I660 HydrophobicContact CG-CD1 4.32Å; E658-I660 HydrophobicContact CG-CG1 4.16Å; E658-G704 CarbonylContact O-C 3.49Å; E658-G704 WeakPolarHBondContact O-CA 3.3Å; E658-V705 HydrophobicContact CG-CG2 3.39Å; E658-V705 PolarHBondContact N-O 3.48Å; E658-V705 VanDerWaalsContact N-O 3.08Å; E658-V705 PolarHBondContact O-N 3.29Å; E658-R707 IonicContact OE1-CZ 3.77Å; E658-R707 IonicContact OE1-NE 3.1Å; E658-R707 PolarHBondContact OE1-NE 3.29Å; E658-R707 IonicContact OE1-NH2 3.45Å
659	I	96.1	Very high	94.6	Very high	34 Å²	34	66.2 Å²	66.2	17%	0.174	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	123.1	168.8	-61.3	-56.4	0	0	0	107.7	F657 P702 L719 W754	F657-I659 HydrophobicContact CE1-CD1 3.51Å; F657-I659 HydrophobicContact CE1-CG1 3.97Å; F657-I659 HydrophobicContact CE2-CD1 4.44Å; F657-I659 HydrophobicContact CZ-CD1 3.39Å; F657-I659 HydrophobicContact CZ-CG1 4.35Å; I659-P702 HydrophobicContact CG2-CB 3.55Å; I659-L719 HydrophobicContact CD1-CD1 3.98Å; I659-L719 HydrophobicContact CG2-CD1 4.5Å; I659-W754 HydrophobicContact CB-CZ2 4.25Å; I659-W754 HydrophobicContact CD1-CD2 4.39Å; I659-W754 HydrophobicContact CG1-CD2 3.69Å; I659-W754 VanDerWaalsContact CG1-CE2 3.48Å; I659-W754 HydrophobicContact CG1-CE3 4.4Å; I659-W754 HydrophobicContact CG1-CG 3.79Å; I659-W754 HydrophobicContact CG1-CZ2 4.02Å; I659-W754 HydrophobicContact CG2-CH2 4.49Å; I659-W754 HydrophobicContact CG2-CZ2 3.9Å
660	I	96.1	Very high	94.7	Very high	40 Å²	40	66.6 Å²	66.6	21%	0.205	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	125.5	178.6	-57.1	170.5	0	0	0	107.7	E658 F664 F668 P702 I703 V705	E658-I660 HydrophobicContact CG-CD1 4.32Å; E658-I660 HydrophobicContact CG-CG1 4.16Å; I660-F664 HydrophobicContact CB-CE1 4.21Å; I660-F664 HydrophobicContact CG2-CD1 3.94Å; I660-F664 HydrophobicContact CG2-CE1 3.76Å; I660-F664 WeakPolarHBondContact O-CE1 3.41Å; I660-F668 HydrophobicContact CB-CZ 4.34Å; I660-F668 HydrophobicContact CD1-CD2 4.13Å; I660-F668 HydrophobicContact CD1-CE1 4.2Å; I660-F668 HydrophobicContact CD1-CE2 3.36Å; I660-F668 HydrophobicContact CD1-CZ 3.39Å; I660-F668 HydrophobicContact CG1-CZ 4.4Å; I660-F668 HydrophobicContact CG2-CE1 4.38Å; I660-P702 WeakPolarHBondContact O-CA 3.34Å; I660-I703 PolarHBondContact N-O 2.91Å; I660-I703 PolarHBondContact O-N 3.4Å; I660-V705 HydrophobicContact CD1-CG1 4.49Å; I660-V705 HydrophobicContact CD1-CG2 3.72Å; I660-V705 HydrophobicContact CG1-CG2 4.38Å
661	E	94.5	Very high	94.8	Very high	108 Å²	108	70.3 Å²	70.3	51%	0.505	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-87	146.8	176.3	-66.3	-67.3	166.4	0	0	110.6	P702	E661-P702 WeakPolarHBondContact OE1-CG 3.47Å; E661-P702 VanDerWaalsContact OE2-CG 3.32Å; E661-P702 WeakPolarHBondContact OE2-CG 3.49Å
662	P	93.2	Very high	95	Very high	46 Å²	46	65.8 Å²	65.8	30%	0.299	35%	0.351	S	S	.	.	S	Bend	trans	-64.8	153.3	171.2	28	-33.7	0	0	0	111.1	F664 S699	P662-F664 HydrophobicContact CB-CD2 4.41Å; P662-F664 HydrophobicContact CB-CE2 4Å; P662-F664 HydrophobicContact CB-CZ 4.07Å; P662-S699 WeakPolarHBondContact CB-O 3.39Å
663	P	95	Very high	95.1	Very high	127 Å²	127	62.4 Å²	62.4	83%	0.825	34%	0.335	S	S	*	.	S	Bend	cis	-81.2	145.9	7.4	32.8	-35.4	0	0	0	113.6
664	F	94.6	Very high	95.2	Very high	24 Å²	24	64.6 Å²	64.6	11%	0.105	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-92.5	144.6	179.9	-60.2	-51.4	0	0	0	112	I660 P662 F668 I669 L698 A701 I703	I660-F664 HydrophobicContact CB-CE1 4.21Å; I660-F664 HydrophobicContact CG2-CD1 3.94Å; I660-F664 HydrophobicContact CG2-CE1 3.76Å; I660-F664 WeakPolarHBondContact O-CE1 3.41Å; P662-F664 HydrophobicContact CB-CD2 4.41Å; P662-F664 HydrophobicContact CB-CE2 4Å; P662-F664 HydrophobicContact CB-CZ 4.07Å; F664-F668 HydrophobicContact CB-CD1 3.95Å; F664-F668 AromaticContact CD1-CD1 3.68Å; F664-F668 HydrophobicContact CD1-CD1 3.68Å; F664-F668 AromaticContact CD1-CE1 3.56Å; F664-F668 HydrophobicContact CD1-CE1 3.56Å; F664-F668 AromaticContact CE1-CE1 3.96Å; F664-F668 HydrophobicContact CE1-CE1 3.96Å; F664-F668 AromaticContact CG-CD1 3.97Å; F664-F668 HydrophobicContact CG-CD1 3.97Å; F664-F668 HydrophobicContact CG-CE1 4.1Å; F664-I669 HydrophobicContact CB-CD1 3.81Å; F664-I669 HydrophobicContact CB-CG1 3.95Å; F664-I669 HydrophobicContact CD2-CD1 4.08Å; F664-I669 HydrophobicContact CG-CD1 4.19Å; F664-L698 WeakPolarHBondContact CE2-O 3.44Å; F664-A701 WeakPolarHBondContact CZ-O 3.26Å; F664-I703 HydrophobicContact CD2-CD1 4.1Å; F664-I703 HydrophobicContact CE1-CB 4.44Å; F664-I703 HydrophobicContact CE1-CD1 4.23Å; F664-I703 HydrophobicContact CE1-CG1 4.35Å; F664-I703 HydrophobicContact CE2-CD1 3.51Å; F664-I703 HydrophobicContact CE2-CG1 3.96Å; F664-I703 HydrophobicContact CZ-CB 4.14Å; F664-I703 HydrophobicContact CZ-CD1 3.59Å; F664-I703 HydrophobicContact CZ-CG1 3.62Å
665	S	94.7	Very high	95.3	Very high	60 Å²	60	59.5 Å²	59.5	42%	0.42	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-75.8	151.8	171.3	70.2	0	0	0	0	110.8	E667 F668 I669	S665-E667 PolarHBondContact O-N 3.4Å; S665-F668 PolarHBondContact O-N 3.29Å; S665-F668 VanDerWaalsContact O-N 3.15Å; S665-F668 WeakPolarHBondContact OG-CB 3.42Å; S665-F668 PolarHBondContact OG-N 3.31Å; S665-I669 PolarHBondContact O-N 3.08Å
666	T	94	Very high	95.2	Very high	97 Å²	97	59 Å²	59	60%	0.595	31%	0.314	S	S	*	.	H	α-helix	trans	-59.5	-35.6	175.8	-50.1	0	0	0	0	111.9	I669 N670	T666-I669 PolarHBondContact O-N 3.41Å; T666-N670 PolarHBondContact O-N 3.3Å; T666-N670 PolarHBondContact O-ND2 3.25Å
667	E	94.5	Very high	95.2	Very high	147 Å²	147	60.5 Å²	60.5	69%	0.687	32%	0.317	S	S	*	.	H	α-helix	trans	-61	-46.8	175.1	-68.4	153.1	-179.3	0	0	111.3	S665 N670 E671	S665-E667 PolarHBondContact O-N 3.4Å; E667-N670 WeakPolarHBondContact O-CB 3.26Å; E667-N670 PolarHBondContact O-N 2.9Å; E667-E671 PolarHBondContact O-N 3.25Å
668	F	95.5	Very high	95.1	Very high	13 Å²	13	61.9 Å²	61.9	6%	0.057	33%	0.326	C	S	.	.	H	α-helix	trans	-63.7	-43.3	177.4	178.4	-114.2	0	0	0	112	I660 F664 S665 N670 E671 L672 I703 V705	I660-F668 HydrophobicContact CB-CZ 4.34Å; I660-F668 HydrophobicContact CD1-CD2 4.13Å; I660-F668 HydrophobicContact CD1-CE1 4.2Å; I660-F668 HydrophobicContact CD1-CE2 3.36Å; I660-F668 HydrophobicContact CD1-CZ 3.39Å; I660-F668 HydrophobicContact CG1-CZ 4.4Å; I660-F668 HydrophobicContact CG2-CE1 4.38Å; F664-F668 HydrophobicContact CB-CD1 3.95Å; F664-F668 AromaticContact CD1-CD1 3.68Å; F664-F668 HydrophobicContact CD1-CD1 3.68Å; F664-F668 AromaticContact CD1-CE1 3.56Å; F664-F668 HydrophobicContact CD1-CE1 3.56Å; F664-F668 AromaticContact CE1-CE1 3.96Å; F664-F668 HydrophobicContact CE1-CE1 3.96Å; F664-F668 AromaticContact CG-CD1 3.97Å; F664-F668 HydrophobicContact CG-CD1 3.97Å; F664-F668 HydrophobicContact CG-CE1 4.1Å; S665-F668 PolarHBondContact O-N 3.29Å; S665-F668 VanDerWaalsContact O-N 3.15Å; S665-F668 WeakPolarHBondContact OG-CB 3.42Å; S665-F668 PolarHBondContact OG-N 3.31Å; F668-N670 VanDerWaalsContact C-N 3.28Å; F668-N670 PolarHBondContact O-N 3.05Å; F668-E671 WeakPolarHBondContact O-CB 3.25Å; F668-E671 PolarHBondContact O-N 2.93Å; F668-L672 HydrophobicContact CD1-CD1 4.17Å; F668-L672 HydrophobicContact CD1-CG 4.5Å; F668-L672 HydrophobicContact CE1-CD1 3.61Å; F668-L672 HydrophobicContact CE1-CG 4.16Å; F668-L672 HydrophobicContact CE2-CD1 4.48Å; F668-L672 HydrophobicContact CE2-CD2 4.04Å; F668-L672 HydrophobicContact CE2-CG 4.21Å; F668-L672 HydrophobicContact CZ-CD1 3.79Å; F668-L672 HydrophobicContact CZ-CD2 3.94Å; F668-L672 HydrophobicContact CZ-CG 3.99Å; F668-L672 WeakPolarHBondContact O-CG 3.22Å; F668-L672 PolarHBondContact O-N 3.49Å; F668-I703 HydrophobicContact CE1-CD1 4.36Å; F668-I703 HydrophobicContact CZ-CG2 4.32Å; F668-V705 HydrophobicContact CE2-CG1 3.82Å; F668-V705 HydrophobicContact CZ-CG1 3.67Å
669	I	96.1	Very high	95	Very high	7 Å²	7	60.9 Å²	60.9	4%	0.036	32%	0.319	C	S	.	.	H	α-helix	trans	-60.7	-38.9	175.5	-65.4	-63.5	0	0	0	111.3	F664 S665 T666 L672 Q673 F693 E695	F664-I669 HydrophobicContact CB-CD1 3.81Å; F664-I669 HydrophobicContact CB-CG1 3.95Å; F664-I669 HydrophobicContact CD2-CD1 4.08Å; F664-I669 HydrophobicContact CG-CD1 4.19Å; S665-I669 PolarHBondContact O-N 3.08Å; T666-I669 PolarHBondContact O-N 3.41Å; I669-L672 PolarHBondContact O-N 2.97Å; I669-Q673 WeakPolarHBondContact O-CB 3.46Å; I669-Q673 PolarHBondContact O-N 2.92Å; I669-F693 HydrophobicContact CG2-CE1 4.3Å; I669-F693 HydrophobicContact CG2-CZ 4.48Å; I669-E695 HydrophobicContact CD1-CG 4.44Å; I669-E695 HydrophobicContact CG1-CG 4.26Å; I669-E695 HydrophobicContact CG2-CG 4.41Å
670	N	96	Very high	94.7	Very high	89 Å²	89	60.1 Å²	60.1	48%	0.476	32%	0.315	S	S	.	.	H	α-helix	trans	-65.5	-39.3	175.6	-69.4	-27.1	0	0	0	112.4	T666 E667 F668 Q673 H674	T666-N670 PolarHBondContact O-N 3.3Å; T666-N670 PolarHBondContact O-ND2 3.25Å; E667-N670 WeakPolarHBondContact O-CB 3.26Å; E667-N670 PolarHBondContact O-N 2.9Å; F668-N670 VanDerWaalsContact C-N 3.28Å; F668-N670 PolarHBondContact O-N 3.05Å; N670-Q673 PolarHBondContact O-N 3.12Å; N670-H674 PolarHBondContact O-N 3.06Å
671	E	95.8	Very high	94.3	Very high	78 Å²	78	63.7 Å²	63.7	36%	0.364	34%	0.335	S	S	.	.	H	α-helix	trans	-58.8	-48.3	172.4	-72	178.2	-170.7	0	0	111	E667 F668 Q673 H674 V675 R707 V713	E667-E671 PolarHBondContact O-N 3.25Å; F668-E671 WeakPolarHBondContact O-CB 3.25Å; F668-E671 PolarHBondContact O-N 2.93Å; E671-Q673 VanDerWaalsContact C-N 3.32Å; E671-Q673 PolarHBondContact O-N 3.38Å; E671-H674 WeakPolarHBondContact O-CB 3.25Å; E671-H674 PolarHBondContact O-N 2.9Å; E671-V675 PolarHBondContact O-N 2.58Å; E671-R707 IonicContact OE2-CZ 3.73Å; E671-R707 IonicContact OE2-NH1 3.98Å; E671-R707 PolarHBondContact OE2-NH1 2.88Å; E671-R707 VanDerWaalsContact OE2-NH1 3.1Å; E671-R707 IonicContact OE2-NH2 2.67Å; E671-R707 PolarHBondContact OE2-NH2 3.42Å; E671-V713 HydrophobicContact CB-CG2 4.34Å; E671-V713 WeakPolarHBondContact OE2-CG2 2.96Å
672	L	96.5	Very high	93.8	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-63.7	-38.6	177.6	-62.4	-173.2	0	0	0	112.1	F668 I669 H674 V675 S676 F693 I703 V705 V713 F716	F668-L672 HydrophobicContact CD1-CD1 4.17Å; F668-L672 HydrophobicContact CD1-CG 4.5Å; F668-L672 HydrophobicContact CE1-CD1 3.61Å; F668-L672 HydrophobicContact CE1-CG 4.16Å; F668-L672 HydrophobicContact CE2-CD1 4.48Å; F668-L672 HydrophobicContact CE2-CD2 4.04Å; F668-L672 HydrophobicContact CE2-CG 4.21Å; F668-L672 HydrophobicContact CZ-CD1 3.79Å; F668-L672 HydrophobicContact CZ-CD2 3.94Å; F668-L672 HydrophobicContact CZ-CG 3.99Å; F668-L672 WeakPolarHBondContact O-CG 3.22Å; F668-L672 PolarHBondContact O-N 3.49Å; I669-L672 PolarHBondContact O-N 2.97Å; L672-H674 VanDerWaalsContact C-N 3.33Å; L672-V675 PolarHBondContact O-N 3.36Å; L672-S676 WeakPolarHBondContact O-CB 3.27Å; L672-S676 PolarHBondContact O-N 3.09Å; L672-F693 HydrophobicContact CB-CE2 3.7Å; L672-F693 HydrophobicContact CB-CZ 3.69Å; L672-I703 HydrophobicContact CD1-CD1 3.62Å; L672-I703 HydrophobicContact CD1-CG2 4.04Å; L672-V705 HydrophobicContact CD2-CG1 3.86Å; L672-V713 HydrophobicContact CD2-CG1 4.09Å; L672-F716 HydrophobicContact CB-CD1 4.43Å; L672-F716 HydrophobicContact CB-CE1 4.36Å; L672-F716 HydrophobicContact CD2-CB 3.68Å; L672-F716 HydrophobicContact CD2-CD1 3.91Å; L672-F716 HydrophobicContact CD2-CD2 4.4Å; L672-F716 HydrophobicContact CD2-CG 3.77Å; L672-F716 WeakPolarHBondContact O-CE1 3.46Å
673	Q	95.9	Very high	93.4	Very high	80 Å²	80	69.8 Å²	69.8	37%	0.374	36%	0.359	S	S	.	.	H	α-helix	trans	-63.3	-41.7	178.4	-173.9	171.2	1.7	0	0	110.7	I669 N670 E671 V675 S676 D677 F693	I669-Q673 WeakPolarHBondContact O-CB 3.46Å; I669-Q673 PolarHBondContact O-N 2.92Å; N670-Q673 PolarHBondContact O-N 3.12Å; E671-Q673 VanDerWaalsContact C-N 3.32Å; E671-Q673 PolarHBondContact O-N 3.38Å; Q673-V675 PolarHBondContact O-N 3.16Å; Q673-S676 WeakPolarHBondContact O-CB 3.33Å; Q673-S676 PolarHBondContact O-N 3.29Å; Q673-D677 WeakPolarHBondContact O-CB 3.42Å; Q673-D677 VanDerWaalsContact O-CG 3.24Å; Q673-D677 PolarHBondContact O-N 3.07Å; Q673-F693 VanDerWaalsContact CA-CZ 3.44Å; Q673-F693 HydrophobicContact CB-CD1 4.49Å; Q673-F693 HydrophobicContact CB-CE1 3.66Å; Q673-F693 HydrophobicContact CB-CZ 3.76Å; Q673-F693 HydrophobicContact CG-CD1 4.45Å; Q673-F693 HydrophobicContact CG-CE1 4.05Å; Q673-F693 VanDerWaalsContact N-CZ 3.26Å
674	H	95.3	Very high	92.9	Very high	113 Å²	113	70.8 Å²	70.8	52%	0.523	35%	0.353	S	S	.	.	H	α-helix	trans	-58.6	-48.9	175.7	-178.1	64.8	0	0	0	112.2	N670 E671 L672 S676 D677 L678	N670-H674 PolarHBondContact O-N 3.06Å; E671-H674 WeakPolarHBondContact O-CB 3.25Å; E671-H674 PolarHBondContact O-N 2.9Å; L672-H674 VanDerWaalsContact C-N 3.33Å; H674-S676 VanDerWaalsContact C-N 3.29Å; H674-S676 PolarHBondContact O-N 3.21Å; H674-D677 PolarHBondContact O-N 3.44Å; H674-L678 WeakPolarHBondContact NE2-CD1 3.33Å; H674-L678 WeakPolarHBondContact O-CG 3.41Å; H674-L678 PolarHBondContact O-N 3.31Å; H674-L678 VanDerWaalsContact O-N 3.13Å
675	V	95.7	Very high	92.6	Very high	1 Å²	1	71.8 Å²	71.8	1%	0.006	36%	0.358	C	S	.	.	H	α-helix	trans	-61.1	-41.4	175.9	177.6	0	0	0	0	111.1	E671 L672 Q673 W679 V713 F716 L736	E671-V675 PolarHBondContact O-N 2.58Å; L672-V675 PolarHBondContact O-N 3.36Å; Q673-V675 PolarHBondContact O-N 3.16Å; V675-W679 VanDerWaalsContact O-CB 3.23Å; V675-W679 WeakPolarHBondContact O-CB 3.43Å; V675-W679 PolarHBondContact O-N 2.93Å; V675-V713 HydrophobicContact CG2-CB 4.42Å; V675-V713 HydrophobicContact CG2-CG1 4.19Å; V675-V713 WeakPolarHBondContact CG2-O 3.11Å; V675-F716 HydrophobicContact CB-CD1 4.15Å; V675-F716 HydrophobicContact CB-CE1 4.21Å; V675-F716 HydrophobicContact CG1-CD1 3.94Å; V675-F716 HydrophobicContact CG1-CE1 4.16Å; V675-L736 HydrophobicContact CB-CD2 4.32Å; V675-L736 HydrophobicContact CG1-CD2 4.32Å; V675-L736 HydrophobicContact CG1-CG 4.39Å; V675-L736 HydrophobicContact CG2-CD2 4.04Å; V675-L736 HydrophobicContact CG2-CG 4.21Å
676	S	94.7	Very high	92.2	Very high	1 Å²	1	70.5 Å²	70.5	1%	0.007	35%	0.346	C	S	.	.	H	α-helix	trans	-61.1	-49.2	178.5	159.4	0	0	0	0	112.5	L672 Q673 H674 W679 L680 R734	L672-S676 WeakPolarHBondContact O-CB 3.27Å; L672-S676 PolarHBondContact O-N 3.09Å; Q673-S676 WeakPolarHBondContact O-CB 3.33Å; Q673-S676 PolarHBondContact O-N 3.29Å; H674-S676 VanDerWaalsContact C-N 3.29Å; H674-S676 PolarHBondContact O-N 3.21Å; S676-W679 PolarHBondContact O-N 3.3Å; S676-L680 WeakPolarHBondContact O-CB 3.33Å; S676-L680 WeakPolarHBondContact O-CG 3.36Å; S676-L680 PolarHBondContact O-N 2.85Å; S676-R734 PolarHBondContact OG-NH1 2.95Å
677	D	94.5	Very high	91.9	Very high	87 Å²	87	67 Å²	67	47%	0.465	32%	0.322	S	S	.	.	H	α-helix	trans	-67.2	-42.5	-176.1	-70.9	-13.4	0	0	0	111.2	Q673 H674 L680 D681	Q673-D677 WeakPolarHBondContact O-CB 3.42Å; Q673-D677 VanDerWaalsContact O-CG 3.24Å; Q673-D677 PolarHBondContact O-N 3.07Å; H674-D677 PolarHBondContact O-N 3.44Å; D677-L680 PolarHBondContact O-N 3.38Å; D677-D681 PolarHBondContact O-N 3.37Å
678	L	94.3	Very high	91.8	Very high	68 Å²	68	60 Å²	60	36%	0.356	29%	0.29	S	S	.	.	H	α-helix	trans	-64.7	-40.9	173.8	-71.1	179.7	0	0	0	112.1	H674 L680 D681 L736	H674-L678 WeakPolarHBondContact NE2-CD1 3.33Å; H674-L678 WeakPolarHBondContact O-CG 3.41Å; H674-L678 PolarHBondContact O-N 3.31Å; H674-L678 VanDerWaalsContact O-N 3.13Å; L678-L680 VanDerWaalsContact C-N 3.34Å; L678-D681 PolarHBondContact O-N 2.89Å; L678-L736 HydrophobicContact CB-CD2 4.28Å; L678-L736 HydrophobicContact CD1-CD2 3.59Å
679	W	91.9	Very high	91.5	Very high	59 Å²	59	60 Å²	60	22%	0.223	29%	0.292	C	S	.	.	H	α-helix	trans	-65	-38.9	175.9	-177.7	87.7	0	0	0	111.9	V675 S676 D681 R683 R734 W735	V675-W679 VanDerWaalsContact O-CB 3.23Å; V675-W679 WeakPolarHBondContact O-CB 3.43Å; V675-W679 PolarHBondContact O-N 2.93Å; S676-W679 PolarHBondContact O-N 3.3Å; W679-D681 VanDerWaalsContact C-N 3.34Å; W679-R683 PolarHBondContact O-NH2 3.37Å; W679-R734 HydrophobicContact CB-CB 4.14Å; W679-R734 HydrophobicContact CD2-CB 4.2Å; W679-R734 HydrophobicContact CD2-CG 4.02Å; W679-R734 HydrophobicContact CE3-CG 4Å; W679-R734 HydrophobicContact CG-CB 3.97Å; W679-R734 HydrophobicContact CG-CG 4.31Å; W679-W735 WeakPolarHBondContact CB-O 3.46Å; W679-W735 AromaticContact CD1-CD2 3.67Å; W679-W735 AromaticContact CD1-CE2 3.81Å; W679-W735 AromaticContact CD1-CE3 3.87Å; W679-W735 VanDerWaalsContact CD1-O 3.25Å; W679-W735 HydrophobicContact CZ2-CH2 4.27Å; W679-W735 HydrophobicContact CZ2-CZ3 4.34Å; W679-W735 AromaticContact NE1-CD2 3.56Å; W679-W735 AromaticContact NE1-CE2 3.55Å; W679-W735 AromaticContact NE1-CE3 3.42Å; W679-W735 AromaticContact NE1-CH2 3.26Å; W679-W735 VanDerWaalsContact NE1-CH2 3.26Å; W679-W735 AromaticContact NE1-CZ2 3.42Å; W679-W735 AromaticContact NE1-CZ3 3.26Å; W679-W735 VanDerWaalsContact NE1-CZ3 3.26Å
680	L	89	Confident	91.1	Very high	17 Å²	17	61.4 Å²	61.4	9%	0.089	30%	0.301	C	S	.	.	H	α-helix	trans	-65.2	-36.4	179.3	-79.4	171.2	0	0	0	111.9	S676 D677 L678 N682 R683 E685	S676-L680 WeakPolarHBondContact O-CB 3.33Å; S676-L680 WeakPolarHBondContact O-CG 3.36Å; S676-L680 PolarHBondContact O-N 2.85Å; D677-L680 PolarHBondContact O-N 3.38Å; L678-L680 VanDerWaalsContact C-N 3.34Å; L680-N682 PolarHBondContact O-N 3.48Å; L680-R683 WeakPolarHBondContact O-CB 3.45Å; L680-R683 WeakPolarHBondContact O-CG 3.5Å; L680-R683 PolarHBondContact O-N 3.23Å; L680-R683 PolarHBondContact O-NE 3.41Å; L680-E685 HydrophobicContact CD1-CG 4.07Å
681	D	89.3	Confident	90.8	Very high	116 Å²	116	57.2 Å²	57.2	62%	0.62	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.7	63	178.5	-176.9	26.9	0	0	0	112.4	D677 L678 W679 R683	D677-D681 PolarHBondContact O-N 3.37Å; L678-D681 PolarHBondContact O-N 2.89Å; W679-D681 VanDerWaalsContact C-N 3.34Å; D681-R683 PolarHBondContact O-N 2.96Å
682	N	84	Confident	90.5	Very high	162 Å²	162	54.6 Å²	54.6	87%	0.866	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.7	3.5	-176.6	-58.4	-67.7	0	0	0	116.2	L680	L680-N682 PolarHBondContact O-N 3.48Å
683	R	84.8	Confident	90.4	Very high	119 Å²	119	56.3 Å²	56.3	45%	0.449	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-71.4	144	170.7	-60.4	177.6	-67.5	157.5	1.7	109.6	W679 L680 D681	W679-R683 PolarHBondContact O-NH2 3.37Å; L680-R683 WeakPolarHBondContact O-CB 3.45Å; L680-R683 WeakPolarHBondContact O-CG 3.5Å; L680-R683 PolarHBondContact O-N 3.23Å; L680-R683 PolarHBondContact O-NE 3.41Å; D681-R683 PolarHBondContact O-N 2.96Å
684	Q	84.2	Confident	90.2	Very high	149 Å²	149	54.9 Å²	54.9	70%	0.696	27%	0.268	S	S	*	.	P	Polyproline II helix	trans	-76	145	173.6	-66.9	-174.4	-15.2	0	0	110.7
685	E	87.1	Confident	90.1	Very high	45 Å²	45	54.2 Å²	54.2	21%	0.21	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-58.6	151.5	169.4	-72.1	-76.5	-154.5	0	0	111.6	L680 F693 R734	L680-E685 HydrophobicContact CD1-CG 4.07Å; E685-F693 WeakPolarHBondContact OE1-CB 3.46Å; E685-F693 PolarHBondContact OE1-N 3.36Å; E685-R734 IonicContact OE1-CZ 2.76Å; E685-R734 VanDerWaalsContact OE1-CZ 3.22Å; E685-R734 IonicContact OE1-NH1 3.75Å; E685-R734 PolarHBondContact OE1-NH1 3.24Å; E685-R734 IonicContact OE1-NH2 3.83Å; E685-R734 PolarHBondContact OE1-NH2 3.31Å; E685-R734 IonicContact OE2-CZ 2.83Å; E685-R734 IonicContact OE2-NH1 3.79Å; E685-R734 IonicContact OE2-NH2 2.71Å; E685-R734 PolarHBondContact OE2-NH2 3.36Å
686	M	86.5	Confident	89.9	Confident	32 Å²	32	60.9 Å²	60.9	16%	0.158	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-103.7	159.7	169.9	-59.9	-161.8	-156.7	0	0	109.6	L796 Y797 I837	M686-L796 HydrophobicContact CE-CB 4.13Å; M686-L796 HydrophobicContact CE-CD1 4.11Å; M686-L796 HydrophobicContact CE-CD2 4.4Å; M686-L796 HydrophobicContact CE-CG 4.48Å; M686-Y797 HydrophobicContact CE-CD2 4.28Å; M686-Y797 HydrophobicContact CE-CE2 3.47Å; M686-Y797 VanDerWaalsContact CE-CE2 3.47Å; M686-Y797 HydrophobicContact SD-CE2 3.49Å; M686-Y797 WeakPolarHBondContact SD-CE2 3.41Å; M686-Y797 PolarHBondContact SD-OH 2.9Å; M686-I837 HydrophobicContact CB-CG2 4.02Å; M686-I837 HydrophobicContact CG-CG2 4.39Å; M686-I837 HydrophobicContact SD-CG2 4.01Å
687	H	89.3	Confident	89.9	Confident	23 Å²	23	61 Å²	61	11%	0.106	30%	0.297	C	S	.	.			trans	-133.6	-176.3	-175.9	-48.7	-75.3	0	0	0	110.4	D546 S689 V690 E692 I837	D546-H687 WeakPolarHBondContact OD2-CB 3.46Å; H687-S689 VanDerWaalsContact C-N 3.31Å; H687-S689 PolarHBondContact O-N 3.49Å; H687-V690 CarbonylContact C-O 3.6Å; H687-E692 IonicContact CE1-OE2 3.61Å; H687-E692 PolarHBondContact CE1-OE2 3.4Å; H687-E692 IonicContact ND1-OE2 3.77Å; H687-E692 PolarHBondContact ND1-OE2 3.15Å; H687-I837 PolarHBondContact N-O 3.44Å; H687-I837 WeakPolarHBondContact O-CA 3.13Å
688	F	91.2	Very high	89.9	Confident	0 Å²	0	57 Å²	57	0%	0	28%	0.275	C	S	.	.	S	Bend	trans	69.9	-71.3	172.8	-175.6	-113.7	0	0	0	114.2	D546 K547 R562 V569 L571 Y602 V836 I837	D546-F688 WeakPolarHBondContact OD2-CA 3.47Å; D546-F688 PolarHBondContact OD2-N 3.21Å; K547-F688 HydrophobicContact CD-CD2 4Å; K547-F688 HydrophobicContact CD-CE2 4.08Å; K547-F688 HydrophobicContact CG-CD2 3.76Å; K547-F688 HydrophobicContact CG-CE2 3.96Å; K547-F688 PolarHBondContact NZ-O 3.45Å; R562-F688 HydrophobicContact CB-CD2 3.59Å; R562-F688 HydrophobicContact CB-CE2 3.51Å; R562-F688 HydrophobicContact CG-CD2 4.41Å; V569-F688 HydrophobicContact CB-CE1 4.34Å; V569-F688 HydrophobicContact CB-CZ 4.03Å; V569-F688 HydrophobicContact CG1-CE1 3.55Å; V569-F688 HydrophobicContact CG1-CZ 3.61Å; V569-F688 WeakPolarHBondContact O-CE2 3.49Å; V569-F688 WeakPolarHBondContact O-CZ 3.32Å; L571-F688 HydrophobicContact CB-CE1 4.17Å; L571-F688 HydrophobicContact CB-CE2 4.03Å; L571-F688 HydrophobicContact CB-CZ 3.67Å; L571-F688 HydrophobicContact CD1-CE1 4.18Å; L571-F688 VanDerWaalsContact CD2-O 3.24Å; L571-F688 WeakPolarHBondContact CD2-O 3.26Å; Y602-F688 HydrophobicContact CD1-CE1 4.19Å; F688-V836 HydrophobicContact CB-CG1 3.68Å; F688-V836 HydrophobicContact CD1-CB 4.48Å; F688-V836 HydrophobicContact CD1-CG1 3.61Å; F688-V836 HydrophobicContact CD2-CG1 3.67Å; F688-V836 HydrophobicContact CE1-CG1 4.12Å; F688-V836 HydrophobicContact CE2-CG1 4.18Å; F688-V836 HydrophobicContact CG-CG1 3.36Å; F688-V836 HydrophobicContact CZ-CG1 4.38Å; F688-I837 HydrophobicContact CD1-CG1 4.24Å
689	S	89.4	Confident	89.9	Confident	14 Å²	14	55.7 Å²	55.7	10%	0.098	27%	0.272	C	S	.	.	S	Bend	trans	-95	-1	-178.5	62.5	0	0	0	0	114.3	H687	H687-S689 VanDerWaalsContact C-N 3.31Å; H687-S689 PolarHBondContact O-N 3.49Å
690	V	88.4	Confident	90	Very high	37 Å²	37	57.6 Å²	57.6	22%	0.224	28%	0.282	C	S	.	.	S	Bend	trans	-141.1	145.1	177.4	-172.7	0	0	0	0	105.7	H687 D731 L732	H687-V690 CarbonylContact C-O 3.6Å; V690-D731 VanDerWaalsContact CG1-OD1 3.31Å; V690-D731 WeakPolarHBondContact CG1-OD1 3.27Å; V690-L732 HydrophobicContact CG1-CD2 4.41Å
691	G	88.5	Confident	90.2	Very high	1 Å²	1	57 Å²	57	1%	0.01	28%	0.28	C	S	.	.			trans	-71.2	164.2	172.3	0	0	0	0	0	112.8	D731 L732	G691-D731 WeakPolarHBondContact CA-OD2 3.2Å; G691-D731 PolarHBondContact N-OD1 2.9Å; G691-D731 VanDerWaalsContact N-OD1 3.14Å; G691-D731 PolarHBondContact N-OD2 3.3Å; G691-L732 WeakPolarHBondContact O-CD2 3.31Å
692	E	90.4	Very high	90.5	Very high	23 Å²	23	52.2 Å²	52.2	11%	0.107	26%	0.255	C	S	.	.			trans	-108.3	160.3	172.3	63.2	-177.8	-162	0	0	109.2	H687 N694 K840	H687-E692 IonicContact CE1-OE2 3.61Å; H687-E692 PolarHBondContact CE1-OE2 3.4Å; H687-E692 IonicContact ND1-OE2 3.77Å; H687-E692 PolarHBondContact ND1-OE2 3.15Å; E692-N694 VanDerWaalsContact C-N 3.31Å; E692-N694 HydrophobicContact CG-CB 3.84Å; E692-N694 PolarHBondContact O-N 2.96Å; E692-N694 PolarHBondContact OE1-ND2 3.45Å; E692-K840 IonicContact OE1-NZ 3.79Å; E692-K840 PolarHBondContact OE1-NZ 3.27Å; E692-K840 IonicContact OE2-NZ 2.72Å; E692-K840 PolarHBondContact OE2-NZ 2.9Å
693	F	93.4	Very high	91.1	Very high	35 Å²	35	44.6 Å²	44.6	15%	0.154	21%	0.214	C	C	.	.	S	Bend	trans	-68.7	93.3	169	-165.3	-80.4	0	0	0	109.4	I669 L672 Q673 E685 L698 F716	I669-F693 HydrophobicContact CG2-CE1 4.3Å; I669-F693 HydrophobicContact CG2-CZ 4.48Å; L672-F693 HydrophobicContact CB-CE2 3.7Å; L672-F693 HydrophobicContact CB-CZ 3.69Å; Q673-F693 VanDerWaalsContact CA-CZ 3.44Å; Q673-F693 HydrophobicContact CB-CD1 4.49Å; Q673-F693 HydrophobicContact CB-CE1 3.66Å; Q673-F693 HydrophobicContact CB-CZ 3.76Å; Q673-F693 HydrophobicContact CG-CD1 4.45Å; Q673-F693 HydrophobicContact CG-CE1 4.05Å; Q673-F693 VanDerWaalsContact N-CZ 3.26Å; E685-F693 WeakPolarHBondContact OE1-CB 3.46Å; E685-F693 PolarHBondContact OE1-N 3.36Å; F693-L698 HydrophobicContact CD1-CD1 4.38Å; F693-L698 HydrophobicContact CD2-CD1 3.96Å; F693-L698 HydrophobicContact CE1-CD1 4.15Å; F693-L698 HydrophobicContact CE2-CD1 3.72Å; F693-L698 HydrophobicContact CG-CD1 4.28Å; F693-L698 HydrophobicContact CZ-CD1 3.81Å; F693-F716 HydrophobicContact CD2-CE2 4.47Å; F693-F716 AromaticContact CD2-CZ 3.82Å; F693-F716 HydrophobicContact CD2-CZ 3.82Å; F693-F716 HydrophobicContact CE2-CE1 4.3Å; F693-F716 HydrophobicContact CE2-CE2 4.33Å; F693-F716 AromaticContact CE2-CZ 3.71Å; F693-F716 HydrophobicContact CE2-CZ 3.71Å
694	N	92.2	Very high	91.7	Very high	50 Å²	50	38.9 Å²	38.9	27%	0.267	19%	0.193	S	C	.	.			trans	-137.3	126.4	179.9	176.8	-43.4	0	0	0	108.5	E692 E696 Y697 L698	E692-N694 VanDerWaalsContact C-N 3.31Å; E692-N694 HydrophobicContact CG-CB 3.84Å; E692-N694 PolarHBondContact O-N 2.96Å; E692-N694 PolarHBondContact OE1-ND2 3.45Å; N694-E696 VanDerWaalsContact C-N 3.28Å; N694-E696 PolarHBondContact O-N 2.99Å; N694-E696 VanDerWaalsContact OD1-CB 3.31Å; N694-E696 WeakPolarHBondContact OD1-CB 3.18Å; N694-E696 PolarHBondContact OD1-N 2.87Å; N694-Y697 PolarHBondContact O-N 3.33Å; N694-Y697 VanDerWaalsContact O-N 3.11Å; N694-Y697 PolarHBondContact OD1-N 3.32Å; N694-L698 WeakPolarHBondContact O-CB 3.38Å; N694-L698 WeakPolarHBondContact O-CG 3.28Å; N694-L698 PolarHBondContact O-N 3.41Å
695	E	93.1	Very high	92.3	Very high	99 Å²	99	31.8 Å²	31.8	46%	0.463	16%	0.16	S	C	.	.	H	α-helix	trans	-57.4	-39.2	-176.4	-173.9	177.7	176.6	0	0	112.7	I669 S699	I669-E695 HydrophobicContact CD1-CG 4.44Å; I669-E695 HydrophobicContact CG1-CG 4.26Å; I669-E695 HydrophobicContact CG2-CG 4.41Å; E695-S699 VanDerWaalsContact O-CB 3.23Å; E695-S699 WeakPolarHBondContact O-CB 3.49Å; E695-S699 PolarHBondContact O-N 3.33Å; E695-S699 PolarHBondContact O-OG 3.45Å
696	E	92.4	Very high	92.8	Very high	141 Å²	141	29.7 Å²	29.7	66%	0.659	15%	0.15	S	C	*	.	H	α-helix	trans	-66.4	-39.4	178.2	-171.3	-179.8	-176.3	0	0	111.3	N694 K700	N694-E696 VanDerWaalsContact C-N 3.28Å; N694-E696 PolarHBondContact O-N 2.99Å; N694-E696 VanDerWaalsContact OD1-CB 3.31Å; N694-E696 WeakPolarHBondContact OD1-CB 3.18Å; N694-E696 PolarHBondContact OD1-N 2.87Å; E696-K700 WeakPolarHBondContact O-CG 3.46Å
697	Y	93.9	Very high	93.2	Very high	3 Å²	3	29.1 Å²	29.1	1%	0.012	15%	0.146	C	C	.	.	H	α-helix	trans	-70.3	-48.9	176.7	174.1	-117	0	0	0	111.7	H540 L541 N694 S699 K700 D731	H540-Y697 AromaticContact CD2-CE2 3.77Å; H540-Y697 AromaticContact NE2-CE2 3.93Å; L541-Y697 WeakPolarHBondContact CD2-OH 3.18Å; N694-Y697 PolarHBondContact O-N 3.33Å; N694-Y697 VanDerWaalsContact O-N 3.11Å; N694-Y697 PolarHBondContact OD1-N 3.32Å; Y697-S699 VanDerWaalsContact C-N 3.27Å; Y697-S699 PolarHBondContact O-N 3.48Å; Y697-K700 WeakPolarHBondContact O-CB 3.47Å; Y697-K700 PolarHBondContact O-N 2.99Å; Y697-K700 VanDerWaalsContact O-N 3.13Å; Y697-D731 VanDerWaalsContact CE1-OD2 3.26Å; Y697-D731 WeakPolarHBondContact CE1-OD2 3.5Å; Y697-D731 VanDerWaalsContact CZ-OD2 3.3Å; Y697-D731 PolarHBondContact OH-OD2 3.49Å
698	L	94.3	Very high	93.4	Very high	3 Å²	3	29.7 Å²	29.7	2%	0.016	15%	0.15	C	C	.	.	H	α-helix	trans	-58.6	-40.8	179.6	-74.9	178.6	0	0	0	111.3	F664 F693 N694 K700 A701 I703 L732	F664-L698 WeakPolarHBondContact CE2-O 3.44Å; F693-L698 HydrophobicContact CD1-CD1 4.38Å; F693-L698 HydrophobicContact CD2-CD1 3.96Å; F693-L698 HydrophobicContact CE1-CD1 4.15Å; F693-L698 HydrophobicContact CE2-CD1 3.72Å; F693-L698 HydrophobicContact CG-CD1 4.28Å; F693-L698 HydrophobicContact CZ-CD1 3.81Å; N694-L698 WeakPolarHBondContact O-CB 3.38Å; N694-L698 WeakPolarHBondContact O-CG 3.28Å; N694-L698 PolarHBondContact O-N 3.41Å; L698-K700 PolarHBondContact O-N 3.47Å; L698-A701 PolarHBondContact O-N 2.98Å; L698-A701 VanDerWaalsContact O-O 3.11Å; L698-I703 HydrophobicContact CB-CD1 4.14Å; L698-I703 HydrophobicContact CD2-CD1 4.12Å; L698-L732 HydrophobicContact CD2-CD1 4.05Å
699	S	93.9	Very high	93.5	Very high	42 Å²	42	35.8 Å²	35.8	29%	0.294	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-3.5	179.4	-61.1	0	0	0	0	114.9	P662 E695 Y697	P662-S699 WeakPolarHBondContact CB-O 3.39Å; E695-S699 VanDerWaalsContact O-CB 3.23Å; E695-S699 WeakPolarHBondContact O-CB 3.49Å; E695-S699 PolarHBondContact O-N 3.33Å; E695-S699 PolarHBondContact O-OG 3.45Å; Y697-S699 VanDerWaalsContact C-N 3.27Å; Y697-S699 PolarHBondContact O-N 3.48Å
700	K	93.9	Very high	93.6	Very high	99 Å²	99	42.3 Å²	42.3	43%	0.43	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-5.8	178	-62.3	-66.5	-175.9	173.6	0	113.9	H540 Y543 E696 Y697 L698	H540-K700 PolarHBondContact CE1-O 3.4Å; Y543-K700 HydrophobicContact CD1-CD 4.03Å; Y543-K700 HydrophobicContact CD1-CG 3.94Å; Y543-K700 HydrophobicContact CD2-CB 3.91Å; Y543-K700 HydrophobicContact CD2-CG 4.12Å; Y543-K700 HydrophobicContact CE1-CD 4.22Å; Y543-K700 HydrophobicContact CE2-CB 4.39Å; Y543-K700 HydrophobicContact CG-CB 4.03Å; Y543-K700 HydrophobicContact CG-CD 4.29Å; Y543-K700 HydrophobicContact CG-CG 3.72Å; E696-K700 WeakPolarHBondContact O-CG 3.46Å; Y697-K700 WeakPolarHBondContact O-CB 3.47Å; Y697-K700 PolarHBondContact O-N 2.99Å; Y697-K700 VanDerWaalsContact O-N 3.13Å; L698-K700 PolarHBondContact O-N 3.47Å
701	A	93.4	Very high	93.8	Very high	5 Å²	5	45.6 Å²	45.6	4%	0.041	22%	0.223	C	C	.	.	S	Bend	trans	-150.7	162.2	-178.5	0	0	0	0	0	113.3	F664 L698 L719	F664-A701 WeakPolarHBondContact CZ-O 3.26Å; L698-A701 PolarHBondContact O-N 2.98Å; L698-A701 VanDerWaalsContact O-O 3.11Å; A701-L719 WeakPolarHBondContact CB-O 3.44Å
702	P	95.3	Very high	94	Very high	15 Å²	15	50.7 Å²	50.7	10%	0.097	25%	0.247	C	C	.	.			trans	-65	146.9	173.8	-5.1	14.2	0	0	0	112	I659 I660 E661 L719	I659-P702 HydrophobicContact CG2-CB 3.55Å; I660-P702 WeakPolarHBondContact O-CA 3.34Å; E661-P702 WeakPolarHBondContact OE1-CG 3.47Å; E661-P702 VanDerWaalsContact OE2-CG 3.32Å; E661-P702 WeakPolarHBondContact OE2-CG 3.49Å; P702-L719 HydrophobicContact CB-CD1 4.42Å; P702-L719 PolarHBondContact O-N 2.98Å
703	I	97.3	Very high	94.3	Very high	1 Å²	1	50 Å²	50	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	125.8	176.7	-62.6	176.6	0	0	0	108.8	I660 F664 F668 L672 L698 V705 F716 C717	I660-I703 PolarHBondContact N-O 2.91Å; I660-I703 PolarHBondContact O-N 3.4Å; F664-I703 HydrophobicContact CD2-CD1 4.1Å; F664-I703 HydrophobicContact CE1-CB 4.44Å; F664-I703 HydrophobicContact CE1-CD1 4.23Å; F664-I703 HydrophobicContact CE1-CG1 4.35Å; F664-I703 HydrophobicContact CE2-CD1 3.51Å; F664-I703 HydrophobicContact CE2-CG1 3.96Å; F664-I703 HydrophobicContact CZ-CB 4.14Å; F664-I703 HydrophobicContact CZ-CD1 3.59Å; F664-I703 HydrophobicContact CZ-CG1 3.62Å; F668-I703 HydrophobicContact CE1-CD1 4.36Å; F668-I703 HydrophobicContact CZ-CG2 4.32Å; L672-I703 HydrophobicContact CD1-CD1 3.62Å; L672-I703 HydrophobicContact CD1-CG2 4.04Å; L698-I703 HydrophobicContact CB-CD1 4.14Å; L698-I703 HydrophobicContact CD2-CD1 4.12Å; I703-V705 HydrophobicContact CG2-CG1 3.94Å; I703-F716 HydrophobicContact CG2-CB 4.24Å; I703-F716 HydrophobicContact CG2-CD2 4.31Å; I703-C717 CarbonylContact C-O 3.59Å; I703-C717 WeakPolarHBondContact CA-O 3.23Å; I703-C717 WeakPolarHBondContact CG2-O 3.25Å
704	G	96.8	Very high	94.4	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	133	169	0	0	0	0	0	110.8	E658 F716 C717	E658-G704 CarbonylContact O-C 3.49Å; E658-G704 WeakPolarHBondContact O-CA 3.3Å; G704-F716 CarbonylContact O-C 3.58Å; G704-F716 WeakPolarHBondContact O-CA 3.42Å; G704-C717 PolarHBondContact N-O 2.92Å; G704-C717 PolarHBondContact O-N 2.98Å
705	V	97.6	Very high	94.6	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	144.8	177.6	-61.7	0	0	0	0	111.2	F657 E658 I660 F668 L672 I703 V713 A715 F716	F657-V705 WeakPolarHBondContact CA-O 3.48Å; F657-V705 WeakPolarHBondContact CD2-O 3.38Å; E658-V705 HydrophobicContact CG-CG2 3.39Å; E658-V705 PolarHBondContact N-O 3.48Å; E658-V705 VanDerWaalsContact N-O 3.08Å; E658-V705 PolarHBondContact O-N 3.29Å; I660-V705 HydrophobicContact CD1-CG1 4.49Å; I660-V705 HydrophobicContact CD1-CG2 3.72Å; I660-V705 HydrophobicContact CG1-CG2 4.38Å; F668-V705 HydrophobicContact CE2-CG1 3.82Å; F668-V705 HydrophobicContact CZ-CG1 3.67Å; L672-V705 HydrophobicContact CD2-CG1 3.86Å; I703-V705 HydrophobicContact CG2-CG1 3.94Å; V705-V713 HydrophobicContact CB-CG1 4.18Å; V705-V713 HydrophobicContact CG1-CG1 4.24Å; V705-A715 CarbonylContact C-O 3.58Å; V705-A715 WeakPolarHBondContact CA-O 3.27Å; V705-F716 HydrophobicContact CG1-CB 3.94Å
706	M	97	Very high	94.8	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	130.1	166.2	-66.6	179.9	73.8	0	0	108.9	F650 I655 S656 F657 I714 A715 L743 L747	F650-M706 HydrophobicContact CD1-CE 3.59Å; F650-M706 HydrophobicContact CD2-CE 4.25Å; F650-M706 HydrophobicContact CE1-CE 3.57Å; F650-M706 HydrophobicContact CE2-CE 4.22Å; F650-M706 HydrophobicContact CG-CE 3.96Å; F650-M706 HydrophobicContact CZ-CE 3.9Å; I655-M706 HydrophobicContact CG2-CB 4.25Å; I655-M706 HydrophobicContact CG2-CE 3.54Å; S656-M706 CarbonylContact O-C 3.42Å; S656-M706 VanDerWaalsContact O-CA 3.22Å; S656-M706 WeakPolarHBondContact O-CA 3.25Å; F657-M706 HydrophobicContact CB-CG 4.48Å; F657-M706 HydrophobicContact CD2-CG 3.79Å; M706-I714 HydrophobicContact CB-CG1 4.01Å; M706-I714 WeakPolarHBondContact O-CG1 3.22Å; M706-I714 PolarHBondContact O-N 2.98Å; M706-A715 HydrophobicContact CB-CB 4.24Å; M706-A715 PolarHBondContact N-O 3.42Å; M706-L743 HydrophobicContact CE-CD2 4.33Å; M706-L743 HydrophobicContact SD-CD2 4.41Å; M706-L747 HydrophobicContact CG-CD2 3.67Å; M706-L747 HydrophobicContact CG-CG 4.33Å; M706-L747 HydrophobicContact SD-CB 4.48Å; M706-L747 HydrophobicContact SD-CD2 3.72Å; M706-L747 HydrophobicContact SD-CG 3.71Å
707	R	96.3	Very high	95	Very high	21 Å²	21	34.8 Å²	34.8	8%	0.079	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	142.6	176.7	-63.1	-175	180	-84.5	-6	111.4	I655 S656 E658 E671 N711 E712 V713	I655-R707 CarbonylContact C-O 3.55Å; I655-R707 VanDerWaalsContact CA-O 3.24Å; I655-R707 WeakPolarHBondContact CA-O 3.38Å; I655-R707 WeakPolarHBondContact CG2-O 3.49Å; S656-R707 PolarHBondContact N-O 3.44Å; S656-R707 PolarHBondContact O-N 3.11Å; E658-R707 IonicContact OE1-CZ 3.77Å; E658-R707 IonicContact OE1-NE 3.1Å; E658-R707 PolarHBondContact OE1-NE 3.29Å; E658-R707 IonicContact OE1-NH2 3.45Å; E671-R707 IonicContact OE2-CZ 3.73Å; E671-R707 IonicContact OE2-NH1 3.98Å; E671-R707 PolarHBondContact OE2-NH1 2.88Å; E671-R707 VanDerWaalsContact OE2-NH1 3.1Å; E671-R707 IonicContact OE2-NH2 2.67Å; E671-R707 PolarHBondContact OE2-NH2 3.42Å; R707-N711 WeakPolarHBondContact CD-OD1 3.32Å; R707-N711 PolarHBondContact NH1-O 3.34Å; R707-E712 WeakPolarHBondContact CA-O 3.26Å; R707-V713 HydrophobicContact CG-CG2 4.38Å; R707-V713 VanDerWaalsContact NH1-CG2 3.32Å
708	N	93.5	Very high	95	Very high	35 Å²	35	34.9 Å²	34.9	19%	0.187	17%	0.173	C	C	.	.			trans	-77.8	-178.4	173.7	65.7	8.1	0	0	0	111.7	E710 N711 E712 I714	N708-E710 PolarHBondContact O-N 3.43Å; N708-E710 WeakPolarHBondContact OD1-CA 3.45Å; N708-E710 PolarHBondContact OD1-N 3.22Å; N708-E710 VanDerWaalsContact OD1-N 3.09Å; N708-N711 PolarHBondContact O-N 2.82Å; N708-N711 PolarHBondContact OD1-N 2.94Å; N708-N711 VanDerWaalsContact OD1-N 3.1Å; N708-E712 PolarHBondContact N-O 2.66Å; N708-E712 VanDerWaalsContact N-O 3.07Å; N708-E712 PolarHBondContact ND2-OE2 3.33Å; N708-E712 WeakPolarHBondContact OD1-CB 3.48Å; N708-E712 PolarHBondContact OD1-N 3.12Å; N708-E712 PolarHBondContact OD1-O 3.27Å; N708-I714 HydrophobicContact CB-CG2 3.88Å
709	E	92.3	Very high	95.1	Very high	128 Å²	128	34.7 Å²	34.7	60%	0.598	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-27.1	177	-47	-159.8	137.7	0	0	113	L653 N654 N711	L653-E709 WeakPolarHBondContact O-CG 3.46Å; N654-E709 HydrophobicContact CB-CG 3.96Å; N654-E709 PolarHBondContact ND2-OE1 3.42Å; E709-N711 PolarHBondContact O-N 2.9Å
710	E	91.8	Very high	95	Very high	151 Å²	151	33 Å²	33	71%	0.706	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.2	5.1	178.3	-59.1	-178.4	-178.5	0	0	112.7	N708 E712	N708-E710 PolarHBondContact O-N 3.43Å; N708-E710 WeakPolarHBondContact OD1-CA 3.45Å; N708-E710 PolarHBondContact OD1-N 3.22Å; N708-E710 VanDerWaalsContact OD1-N 3.09Å; E710-E712 VanDerWaalsContact C-N 3.26Å; E710-E712 HydrophobicContact CB-CG 4.23Å; E710-E712 PolarHBondContact O-N 3.49Å
711	N	92.3	Very high	95	Very high	105 Å²	105	29.7 Å²	29.7	56%	0.561	15%	0.148	S	C	*	.			trans	65.8	18.9	-178.8	-160.4	51.7	0	0	0	115	R707 N708 E709	R707-N711 WeakPolarHBondContact CD-OD1 3.32Å; R707-N711 PolarHBondContact NH1-O 3.34Å; N708-N711 PolarHBondContact O-N 2.82Å; N708-N711 PolarHBondContact OD1-N 2.94Å; N708-N711 VanDerWaalsContact OD1-N 3.1Å; E709-N711 PolarHBondContact O-N 2.9Å
712	E	93.5	Very high	94.9	Very high	108 Å²	108	29.5 Å²	29.5	51%	0.505	15%	0.147	S	C	.	.			trans	-86.4	140.1	176.3	-54.4	-178.3	136.2	0	0	111.2	R707 N708 E710 I714	R707-E712 WeakPolarHBondContact CA-O 3.26Å; N708-E712 PolarHBondContact N-O 2.66Å; N708-E712 VanDerWaalsContact N-O 3.07Å; N708-E712 PolarHBondContact ND2-OE2 3.33Å; N708-E712 WeakPolarHBondContact OD1-CB 3.48Å; N708-E712 PolarHBondContact OD1-N 3.12Å; N708-E712 PolarHBondContact OD1-O 3.27Å; E710-E712 VanDerWaalsContact C-N 3.26Å; E710-E712 HydrophobicContact CB-CG 4.23Å; E710-E712 PolarHBondContact O-N 3.49Å; E712-I714 PolarHBondContact O-N 2.86Å
713	V	95.8	Very high	94.6	Very high	10 Å²	10	34.3 Å²	34.3	6%	0.061	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	116.9	176.3	-176.6	0	0	0	0	110	E671 L672 V675 V705 R707	E671-V713 HydrophobicContact CB-CG2 4.34Å; E671-V713 WeakPolarHBondContact OE2-CG2 2.96Å; L672-V713 HydrophobicContact CD2-CG1 4.09Å; V675-V713 HydrophobicContact CG2-CB 4.42Å; V675-V713 HydrophobicContact CG2-CG1 4.19Å; V675-V713 WeakPolarHBondContact CG2-O 3.11Å; V705-V713 HydrophobicContact CB-CG1 4.18Å; V705-V713 HydrophobicContact CG1-CG1 4.24Å; R707-V713 HydrophobicContact CG-CG2 4.38Å; R707-V713 VanDerWaalsContact NH1-CG2 3.32Å
714	I	96.3	Very high	94.2	Very high	4 Å²	4	36.6 Å²	36.6	2%	0.021	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	-20.4	177.9	60.8	172.6	0	0	0	113.1	I655 M706 N708 E712 W735 L736 L739 L743	I655-I714 HydrophobicContact CD1-CD1 4.06Å; I655-I714 HydrophobicContact CG1-CD1 4.29Å; I655-I714 HydrophobicContact CG2-CD1 4.02Å; M706-I714 HydrophobicContact CB-CG1 4.01Å; M706-I714 WeakPolarHBondContact O-CG1 3.22Å; M706-I714 PolarHBondContact O-N 2.98Å; N708-I714 HydrophobicContact CB-CG2 3.88Å; E712-I714 PolarHBondContact O-N 2.86Å; I714-W735 CarbonylContact O-C 3.44Å; I714-W735 WeakPolarHBondContact O-CA 3.21Å; I714-L736 HydrophobicContact CB-CD1 4.25Å; I714-L736 HydrophobicContact CG2-CD1 4.12Å; I714-L736 PolarHBondContact O-N 3.26Å; I714-L739 HydrophobicContact CB-CD1 3.65Å; I714-L739 HydrophobicContact CD1-CD1 4.19Å; I714-L739 HydrophobicContact CG1-CD1 4.48Å; I714-L739 HydrophobicContact CG2-CD1 3.74Å; I714-L743 HydrophobicContact CD1-CD2 3.75Å; I714-L743 HydrophobicContact CG1-CD2 4.27Å
715	A	96.4	Very high	93.7	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	151.9	176.7	0	0	0	0	0	111.2	V705 M706 R734 W735 L747	V705-A715 CarbonylContact C-O 3.58Å; V705-A715 WeakPolarHBondContact CA-O 3.27Å; M706-A715 HydrophobicContact CB-CB 4.24Å; M706-A715 PolarHBondContact N-O 3.42Å; A715-R734 CarbonylContact C-O 3.56Å; A715-R734 VanDerWaalsContact CA-O 3.32Å; A715-R734 WeakPolarHBondContact CA-O 3.43Å; A715-W735 HydrophobicContact CB-CB 3.65Å; A715-L747 HydrophobicContact CB-CD1 3.88Å; A715-L747 HydrophobicContact CB-CD2 4.35Å; A715-L747 HydrophobicContact CB-CG 4.21Å
716	F	97	Very high	93.4	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	159.6	174.5	77.1	-92	0	0	0	113	L672 V675 F693 I703 G704 V705 L732 R734	L672-F716 HydrophobicContact CB-CD1 4.43Å; L672-F716 HydrophobicContact CB-CE1 4.36Å; L672-F716 HydrophobicContact CD2-CB 3.68Å; L672-F716 HydrophobicContact CD2-CD1 3.91Å; L672-F716 HydrophobicContact CD2-CD2 4.4Å; L672-F716 HydrophobicContact CD2-CG 3.77Å; L672-F716 WeakPolarHBondContact O-CE1 3.46Å; V675-F716 HydrophobicContact CB-CD1 4.15Å; V675-F716 HydrophobicContact CB-CE1 4.21Å; V675-F716 HydrophobicContact CG1-CD1 3.94Å; V675-F716 HydrophobicContact CG1-CE1 4.16Å; F693-F716 HydrophobicContact CD2-CE2 4.47Å; F693-F716 AromaticContact CD2-CZ 3.82Å; F693-F716 HydrophobicContact CD2-CZ 3.82Å; F693-F716 HydrophobicContact CE2-CE1 4.3Å; F693-F716 HydrophobicContact CE2-CE2 4.33Å; F693-F716 AromaticContact CE2-CZ 3.71Å; F693-F716 HydrophobicContact CE2-CZ 3.71Å; I703-F716 HydrophobicContact CG2-CB 4.24Å; I703-F716 HydrophobicContact CG2-CD2 4.31Å; G704-F716 CarbonylContact O-C 3.58Å; G704-F716 WeakPolarHBondContact O-CA 3.42Å; V705-F716 HydrophobicContact CG1-CB 3.94Å; F716-L732 HydrophobicContact CE2-CB 4.3Å; F716-R734 HydrophobicContact CD1-CB 4.13Å; F716-R734 HydrophobicContact CE1-CB 3.63Å; F716-R734 HydrophobicContact CE1-CG 4.21Å; F716-R734 HydrophobicContact CZ-CB 3.88Å; F716-R734 HydrophobicContact CZ-CG 3.95Å; F716-R734 PolarHBondContact N-O 3.38Å; F716-R734 PolarHBondContact O-N 2.96Å
717	C	96.2	Very high	93.3	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	145.2	170.6	57.8	0	0	0	0	112.1	I703 G704 V730 L732 I733 M751	I703-C717 CarbonylContact C-O 3.59Å; I703-C717 WeakPolarHBondContact CA-O 3.23Å; I703-C717 WeakPolarHBondContact CG2-O 3.25Å; G704-C717 PolarHBondContact N-O 2.92Å; G704-C717 PolarHBondContact O-N 2.98Å; C717-V730 HydrophobicContact CB-CG2 4.08Å; C717-L732 CarbonylContact C-O 3.5Å; C717-L732 WeakPolarHBondContact CA-O 3.46Å; C717-L732 WeakPolarHBondContact CB-O 3.48Å; C717-I733 HydrophobicContact CB-CG1 4.2Å; C717-M751 HydrophobicContact CB-CE 4.45Å; C717-M751 HydrophobicContact CB-SD 3.91Å; C717-M751 PolarHBondContact SG-SD 2.95Å
718	S	95.1	Very high	93.3	Very high	5 Å²	5	45.4 Å²	45.4	4%	0.035	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	120.6	171.5	65.4	0	0	0	0	109.9	D731 L732	S718-D731 PolarHBondContact O-N 3.45Å; S718-L732 PolarHBondContact N-O 3.27Å; S718-L732 WeakPolarHBondContact OG-CB 3.49Å; S718-L732 PolarHBondContact OG-N 3.1Å
719	L	94.8	Very high	93.3	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	152.3	175.7	-61.7	178.8	0	0	0	109.9	I659 A701 P702 I728 M751 W754	I659-L719 HydrophobicContact CD1-CD1 3.98Å; I659-L719 HydrophobicContact CG2-CD1 4.5Å; A701-L719 WeakPolarHBondContact CB-O 3.44Å; P702-L719 HydrophobicContact CB-CD1 4.42Å; P702-L719 PolarHBondContact O-N 2.98Å; L719-I728 HydrophobicContact CB-CD1 3.98Å; L719-I728 HydrophobicContact CD1-CD1 4Å; L719-I728 HydrophobicContact CD2-CD1 4.41Å; L719-I728 HydrophobicContact CG-CD1 4.36Å; L719-M751 HydrophobicContact CD2-CG 4.13Å; L719-M751 HydrophobicContact CD2-SD 3.71Å; L719-W754 HydrophobicContact CD1-CE3 4.01Å; L719-W754 HydrophobicContact CD1-CH2 3.84Å; L719-W754 HydrophobicContact CD1-CZ3 3.49Å; L719-W754 VanDerWaalsContact CD1-CZ3 3.49Å
720	M	93.4	Very high	93.4	Very high	6 Å²	6	38.5 Å²	38.5	3%	0.03	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	107.4	-179.3	-64.2	172.3	83	0	0	109.7	H540 L541 T722 S729 D731	H540-M720 HydrophobicContact CB-CB 3.82Å; H540-M720 HydrophobicContact CB-CE 3.72Å; H540-M720 HydrophobicContact CB-CG 4.14Å; L541-M720 HydrophobicContact CD1-CE 4.33Å; L541-M720 HydrophobicContact CD2-CE 3.81Å; L541-M720 HydrophobicContact CG-CE 3.6Å; M720-T722 WeakPolarHBondContact O-CG2 3.21Å; M720-T722 PolarHBondContact O-N 3.06Å; M720-S729 PolarHBondContact N-O 3.22Å; M720-S729 PolarHBondContact O-N 3.49Å; M720-D731 HydrophobicContact CG-CB 3.81Å; M720-D731 HydrophobicContact SD-CB 3.52Å; M720-D731 VanDerWaalsContact SD-CB 3.52Å
721	P	92.5	Very high	93.5	Very high	29 Å²	29	32.5 Å²	32.5	19%	0.188	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	121.8	165.5	-24.9	34.6	0	0	0	110.8	Y723	P721-Y723 HydrophobicContact CB-CD2 4.48Å; P721-Y723 HydrophobicContact CB-CE2 3.89Å
722	T	91.1	Very high	93.5	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.006	14%	0.138	C	C	.	.			trans	-96.9	-20.5	-175.2	73	0	0	0	0	113.1	G535 N536 Y537 M720 F724 A727	G535-T722 CarbonylContact C-O 3.49Å; G535-T722 WeakPolarHBondContact CA-O 3.45Å; N536-T722 PolarHBondContact N-O 3.08Å; Y537-T722 HydrophobicContact CD1-CG2 4.05Å; M720-T722 WeakPolarHBondContact O-CG2 3.21Å; M720-T722 PolarHBondContact O-N 3.06Å; T722-F724 PolarHBondContact O-N 3.44Å; T722-F724 PolarHBondContact OG1-N 3.02Å; T722-F724 PolarHBondContact OG1-O 3.42Å; T722-A727 PolarHBondContact OG1-O 3.06Å
723	Y	89.3	Confident	93.5	Very high	116 Å²	116	23.7 Å²	23.7	46%	0.455	12%	0.12	S	C	.	.			trans	52.3	30.5	-171.1	-53.4	-88.5	0	0	0	112.8	I530 G535 P721	I530-Y723 HydrophobicContact CG2-CD1 4.5Å; I530-Y723 HydrophobicContact CG2-CD2 3.65Å; I530-Y723 HydrophobicContact CG2-CE2 4.37Å; I530-Y723 HydrophobicContact CG2-CG 3.73Å; G535-Y723 PolarHBondContact N-O 3.43Å; P721-Y723 HydrophobicContact CB-CD2 4.48Å; P721-Y723 HydrophobicContact CB-CE2 3.89Å
724	F	88.9	Confident	93.4	Very high	49 Å²	49	23.4 Å²	23.4	22%	0.215	12%	0.118	C	C	.	.	S	Bend	trans	-137	118.7	-173.3	-177.9	-112.3	0	0	0	111.1	G535 Y537 T722 D726 A727	G535-F724 WeakPolarHBondContact O-CB 3.46Å; G535-F724 WeakPolarHBondContact O-CD2 3.5Å; Y537-F724 HydrophobicContact CD1-CD1 4.24Å; Y537-F724 AromaticContact CE1-CD1 3.82Å; Y537-F724 HydrophobicContact CE1-CD1 3.82Å; Y537-F724 HydrophobicContact CE1-CE1 4.28Å; Y537-F724 HydrophobicContact CE2-CE1 4.29Å; Y537-F724 AromaticContact CZ-CD1 3.99Å; Y537-F724 AromaticContact CZ-CE1 3.95Å; T722-F724 PolarHBondContact O-N 3.44Å; T722-F724 PolarHBondContact OG1-N 3.02Å; T722-F724 PolarHBondContact OG1-O 3.42Å; F724-D726 VanDerWaalsContact C-N 3.27Å; F724-D726 PolarHBondContact O-N 2.89Å; F724-D726 VanDerWaalsContact O-N 3.14Å; F724-A727 WeakPolarHBondContact O-CB 3.26Å; F724-A727 PolarHBondContact O-N 3.23Å
725	N	87.3	Confident	93.3	Very high	89 Å²	89	26.2 Å²	26.2	48%	0.476	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.5	41.3	171.4	-68.7	-30	0	0	0	115	A727 T761	N725-A727 PolarHBondContact O-N 3.35Å; N725-A727 VanDerWaalsContact O-N 3.08Å; N725-T761 PolarHBondContact O-OG1 3.15Å
726	D	91.1	Very high	93.2	Very high	113 Å²	113	27.7 Å²	27.7	60%	0.604	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.8	39.3	-176.8	-52.6	-42	0	0	0	112.6	F724 Y760 T761 K762	F724-D726 VanDerWaalsContact C-N 3.27Å; F724-D726 PolarHBondContact O-N 2.89Å; F724-D726 VanDerWaalsContact O-N 3.14Å; D726-Y760 WeakPolarHBondContact O-CA 3.4Å; D726-Y760 WeakPolarHBondContact O-CD1 3.15Å; D726-T761 HydrophobicContact CB-CG2 4.07Å; D726-T761 PolarHBondContact O-N 3.43Å; D726-K762 PolarHBondContact O-N 3.37Å
727	A	94.5	Very high	92.7	Very high	3 Å²	3	31.3 Å²	31.3	3%	0.025	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	145.7	179.1	0	0	0	0	0	111.3	Y537 T722 F724 N725 K762	Y537-A727 HydrophobicContact CD1-CB 4.39Å; Y537-A727 HydrophobicContact CE1-CB 3.71Å; T722-A727 PolarHBondContact OG1-O 3.06Å; F724-A727 WeakPolarHBondContact O-CB 3.26Å; F724-A727 PolarHBondContact O-N 3.23Å; N725-A727 PolarHBondContact O-N 3.35Å; N725-A727 VanDerWaalsContact O-N 3.08Å; A727-K762 VanDerWaalsContact CA-O 3.31Å; A727-K762 WeakPolarHBondContact CA-O 3.44Å; A727-K762 HydrophobicContact CB-CB 3.82Å
728	I	95.8	Very high	92.2	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.01	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	145.3	168.1	-163.9	173.2	0	0	0	109.6	L719 W754 S755 Y760 K762 F763 N764	L719-I728 HydrophobicContact CB-CD1 3.98Å; L719-I728 HydrophobicContact CD1-CD1 4Å; L719-I728 HydrophobicContact CD2-CD1 4.41Å; L719-I728 HydrophobicContact CG-CD1 4.36Å; I728-W754 HydrophobicContact CD1-CH2 4.41Å; I728-W754 HydrophobicContact CD1-CZ3 3.81Å; I728-S755 WeakPolarHBondContact CG2-OG 3.18Å; I728-Y760 HydrophobicContact CB-CD1 4.02Å; I728-Y760 HydrophobicContact CB-CD2 4.28Å; I728-Y760 HydrophobicContact CB-CE1 4.01Å; I728-Y760 HydrophobicContact CB-CE2 4.25Å; I728-Y760 HydrophobicContact CB-CG 4.17Å; I728-Y760 HydrophobicContact CD1-CD2 4.48Å; I728-Y760 HydrophobicContact CD1-CE2 3.83Å; I728-Y760 HydrophobicContact CG2-CD1 4.42Å; I728-Y760 HydrophobicContact CG2-CD2 4.09Å; I728-Y760 HydrophobicContact CG2-CE2 4.44Å; I728-Y760 HydrophobicContact CG2-CG 4.07Å; I728-K762 PolarHBondContact N-O 2.88Å; I728-K762 VanDerWaalsContact N-O 3.15Å; I728-F763 HydrophobicContact CG2-CD2 3.51Å; I728-F763 HydrophobicContact CG2-CE2 3.95Å; I728-F763 HydrophobicContact CG2-CG 4.45Å; I728-F763 CarbonylContact O-C 3.56Å; I728-F763 WeakPolarHBondContact O-CA 3.49Å; I728-N764 PolarHBondContact O-N 2.92Å
729	S	94.8	Very high	91.9	Very high	5 Å²	5	42.4 Å²	42.4	4%	0.035	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	174.4	177	-171.5	0	0	0	0	110.2	M720	M720-S729 PolarHBondContact N-O 3.22Å; M720-S729 PolarHBondContact O-N 3.49Å
730	V	94.3	Very high	91.5	Very high	12 Å²	12	50 Å²	50	7%	0.073	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	143.8	175.4	62.2	0	0	0	0	109.2	C717 I733 Y748 M751 F763	C717-V730 HydrophobicContact CB-CG2 4.08Å; V730-I733 HydrophobicContact CG1-CD1 4.03Å; V730-I733 HydrophobicContact CG2-CD1 3.81Å; V730-I733 HydrophobicContact CG2-CG1 3.6Å; V730-Y748 HydrophobicContact CG1-CE1 4.1Å; V730-M751 HydrophobicContact CB-SD 4.25Å; V730-M751 HydrophobicContact CG2-CE 4.19Å; V730-M751 HydrophobicContact CG2-SD 3.83Å; V730-F763 HydrophobicContact CB-CZ 4.14Å; V730-F763 HydrophobicContact CG1-CE1 4.14Å; V730-F763 HydrophobicContact CG1-CZ 4.13Å
731	D	92.6	Very high	91.4	Very high	26 Å²	26	51.6 Å²	51.6	14%	0.139	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	-81	177.8	-171	25.5	0	0	0	111.7	V690 G691 Y697 S718 M720	V690-D731 VanDerWaalsContact CG1-OD1 3.31Å; V690-D731 WeakPolarHBondContact CG1-OD1 3.27Å; G691-D731 WeakPolarHBondContact CA-OD2 3.2Å; G691-D731 PolarHBondContact N-OD1 2.9Å; G691-D731 VanDerWaalsContact N-OD1 3.14Å; G691-D731 PolarHBondContact N-OD2 3.3Å; Y697-D731 VanDerWaalsContact CE1-OD2 3.26Å; Y697-D731 WeakPolarHBondContact CE1-OD2 3.5Å; Y697-D731 VanDerWaalsContact CZ-OD2 3.3Å; Y697-D731 PolarHBondContact OH-OD2 3.49Å; S718-D731 PolarHBondContact O-N 3.45Å; M720-D731 HydrophobicContact CG-CB 3.81Å; M720-D731 HydrophobicContact SD-CB 3.52Å; M720-D731 VanDerWaalsContact SD-CB 3.52Å
732	L	92.6	Very high	91.3	Very high	6 Å²	6	52.2 Å²	52.2	3%	0.031	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	133.8	179.5	-59.4	-176.9	0	0	0	109.3	V690 G691 L698 F716 C717 S718	V690-L732 HydrophobicContact CG1-CD2 4.41Å; G691-L732 WeakPolarHBondContact O-CD2 3.31Å; L698-L732 HydrophobicContact CD2-CD1 4.05Å; F716-L732 HydrophobicContact CE2-CB 4.3Å; C717-L732 CarbonylContact C-O 3.5Å; C717-L732 WeakPolarHBondContact CA-O 3.46Å; C717-L732 WeakPolarHBondContact CB-O 3.48Å; S718-L732 PolarHBondContact N-O 3.27Å; S718-L732 WeakPolarHBondContact OG-CB 3.49Å; S718-L732 PolarHBondContact OG-N 3.1Å
733	I	93.1	Very high	91.4	Very high	21 Å²	21	52.3 Å²	52.3	11%	0.108	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	108.4	170.1	-58.7	-179.8	0	0	0	106	C717 V730 W735 L747 Y748 M751	C717-I733 HydrophobicContact CB-CG1 4.2Å; V730-I733 HydrophobicContact CG1-CD1 4.03Å; V730-I733 HydrophobicContact CG2-CD1 3.81Å; V730-I733 HydrophobicContact CG2-CG1 3.6Å; I733-W735 HydrophobicContact CG2-CE3 4.25Å; I733-W735 HydrophobicContact CG2-CZ3 4.18Å; I733-L747 HydrophobicContact CG2-CD1 3.68Å; I733-Y748 HydrophobicContact CD1-CE1 3.82Å; I733-Y748 HydrophobicContact CD1-CE2 3.86Å; I733-Y748 VanDerWaalsContact CD1-OH 3.27Å; I733-Y748 WeakPolarHBondContact CD1-OH 3.44Å; I733-M751 HydrophobicContact CD1-CE 4.27Å
734	R	94	Very high	91.5	Very high	5 Å²	5	49.1 Å²	49.1	2%	0.019	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	151.5	-175.6	-55.8	-171.6	-167.1	-162.9	-6.6	110.1	S676 W679 E685 A715 F716	S676-R734 PolarHBondContact OG-NH1 2.95Å; W679-R734 HydrophobicContact CB-CB 4.14Å; W679-R734 HydrophobicContact CD2-CB 4.2Å; W679-R734 HydrophobicContact CD2-CG 4.02Å; W679-R734 HydrophobicContact CE3-CG 4Å; W679-R734 HydrophobicContact CG-CB 3.97Å; W679-R734 HydrophobicContact CG-CG 4.31Å; E685-R734 IonicContact OE1-CZ 2.76Å; E685-R734 VanDerWaalsContact OE1-CZ 3.22Å; E685-R734 IonicContact OE1-NH1 3.75Å; E685-R734 PolarHBondContact OE1-NH1 3.24Å; E685-R734 IonicContact OE1-NH2 3.83Å; E685-R734 PolarHBondContact OE1-NH2 3.31Å; E685-R734 IonicContact OE2-CZ 2.83Å; E685-R734 IonicContact OE2-NH1 3.79Å; E685-R734 IonicContact OE2-NH2 2.71Å; E685-R734 PolarHBondContact OE2-NH2 3.36Å; A715-R734 CarbonylContact C-O 3.56Å; A715-R734 VanDerWaalsContact CA-O 3.32Å; A715-R734 WeakPolarHBondContact CA-O 3.43Å; F716-R734 HydrophobicContact CD1-CB 4.13Å; F716-R734 HydrophobicContact CE1-CB 3.63Å; F716-R734 HydrophobicContact CE1-CG 4.21Å; F716-R734 HydrophobicContact CZ-CB 3.88Å; F716-R734 HydrophobicContact CZ-CG 3.95Å; F716-R734 PolarHBondContact N-O 3.38Å; F716-R734 PolarHBondContact O-N 2.96Å
735	W	94	Very high	91.7	Very high	63 Å²	63	48.3 Å²	48.3	24%	0.239	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	158.3	-175.1	63.7	89.6	0	0	0	111.1	W679 I714 A715 I733 P737 L743 M744	W679-W735 WeakPolarHBondContact CB-O 3.46Å; W679-W735 AromaticContact CD1-CD2 3.67Å; W679-W735 AromaticContact CD1-CE2 3.81Å; W679-W735 AromaticContact CD1-CE3 3.87Å; W679-W735 VanDerWaalsContact CD1-O 3.25Å; W679-W735 HydrophobicContact CZ2-CH2 4.27Å; W679-W735 HydrophobicContact CZ2-CZ3 4.34Å; W679-W735 AromaticContact NE1-CD2 3.56Å; W679-W735 AromaticContact NE1-CE2 3.55Å; W679-W735 AromaticContact NE1-CE3 3.42Å; W679-W735 AromaticContact NE1-CH2 3.26Å; W679-W735 VanDerWaalsContact NE1-CH2 3.26Å; W679-W735 AromaticContact NE1-CZ2 3.42Å; W679-W735 AromaticContact NE1-CZ3 3.26Å; W679-W735 VanDerWaalsContact NE1-CZ3 3.26Å; I714-W735 CarbonylContact O-C 3.44Å; I714-W735 WeakPolarHBondContact O-CA 3.21Å; A715-W735 HydrophobicContact CB-CB 3.65Å; I733-W735 HydrophobicContact CG2-CE3 4.25Å; I733-W735 HydrophobicContact CG2-CZ3 4.18Å; W735-P737 WeakPolarHBondContact O-CD 3.29Å; W735-L743 HydrophobicContact CB-CB 4.14Å; W735-L743 HydrophobicContact CB-CD1 3.84Å; W735-L743 HydrophobicContact CG-CB 4.31Å; W735-L743 HydrophobicContact CG-CD1 4.24Å; W735-M744 HydrophobicContact CH2-CE 3.52Å; W735-M744 HydrophobicContact CZ3-CE 3.7Å
736	L	94.2	Very high	92	Very high	30 Å²	30	44 Å²	44	16%	0.157	23%	0.231	C	C	.	.			trans	-69.6	119.2	174.6	-66.5	177.9	0	0	0	110.2	V675 L678 I714 E738 L739	V675-L736 HydrophobicContact CB-CD2 4.32Å; V675-L736 HydrophobicContact CG1-CD2 4.32Å; V675-L736 HydrophobicContact CG1-CG 4.39Å; V675-L736 HydrophobicContact CG2-CD2 4.04Å; V675-L736 HydrophobicContact CG2-CG 4.21Å; L678-L736 HydrophobicContact CB-CD2 4.28Å; L678-L736 HydrophobicContact CD1-CD2 3.59Å; I714-L736 HydrophobicContact CB-CD1 4.25Å; I714-L736 HydrophobicContact CG2-CD1 4.12Å; I714-L736 PolarHBondContact O-N 3.26Å; L736-E738 VanDerWaalsContact C-N 3.26Å; L736-E738 PolarHBondContact O-N 2.87Å; L736-L739 HydrophobicContact CB-CD1 4.06Å; L736-L739 HydrophobicContact CB-CG 4.3Å; L736-L739 HydrophobicContact CD1-CD1 4.45Å
737	P	86.2	Confident	92.1	Very high	76 Å²	76	38.7 Å²	38.7	49%	0.494	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-17	-172.2	28.7	-35.1	0	0	0	114	W735 L739	W735-P737 WeakPolarHBondContact O-CD 3.29Å; P737-L739 VanDerWaalsContact C-N 3.28Å; P737-L739 PolarHBondContact O-N 3.09Å
738	E	86.9	Confident	92.2	Very high	172 Å²	172	39 Å²	39	80%	0.804	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-15.9	-176.1	-57.8	-175.5	176.1	0	0	113.2	L736	L736-E738 VanDerWaalsContact C-N 3.26Å; L736-E738 PolarHBondContact O-N 2.87Å
739	L	87.9	Confident	92.2	Very high	66 Å²	66	39 Å²	39	35%	0.346	20%	0.202	S	C	.	.			trans	-86.5	119.6	-176.5	-60.4	176.2	0	0	0	111.3	I714 L736 P737 L741 L743	I714-L739 HydrophobicContact CB-CD1 3.65Å; I714-L739 HydrophobicContact CD1-CD1 4.19Å; I714-L739 HydrophobicContact CG1-CD1 4.48Å; I714-L739 HydrophobicContact CG2-CD1 3.74Å; L736-L739 HydrophobicContact CB-CD1 4.06Å; L736-L739 HydrophobicContact CB-CG 4.3Å; L736-L739 HydrophobicContact CD1-CD1 4.45Å; P737-L739 VanDerWaalsContact C-N 3.28Å; P737-L739 PolarHBondContact O-N 3.09Å; L739-L741 PolarHBondContact O-N 3.22Å; L739-L743 HydrophobicContact CB-CD1 4.11Å; L739-L743 HydrophobicContact CD1-CD1 4.07Å
740	D	87.7	Confident	92.2	Very high	159 Å²	159	40.1 Å²	40.1	85%	0.85	21%	0.207	S	C	*	.			trans	-78.5	57.1	173.7	-167.2	22.2	0	0	0	112
741	L	90.7	Very high	92.3	Very high	40 Å²	40	39.6 Å²	39.6	21%	0.209	20%	0.204	C	C	.	.	S	Bend	trans	-125	146.4	-179.3	-65	178.3	0	0	0	110.3	F650 L653 I655 L739 L743	F650-L741 HydrophobicContact CE1-CB 4.36Å; L653-L741 HydrophobicContact CD1-CD1 4.35Å; L653-L741 HydrophobicContact CD1-CD2 3.53Å; I655-L741 HydrophobicContact CD1-CD1 3.55Å; L739-L741 PolarHBondContact O-N 3.22Å; L741-L743 HydrophobicContact CB-CD2 4.16Å; L741-L743 HydrophobicContact CB-CG 3.96Å; L741-L743 HydrophobicContact CD1-CD2 4.48Å; L741-L743 PolarHBondContact O-N 2.87Å
742	P	91.3	Very high	92.4	Very high	43 Å²	43	38.3 Å²	38.3	28%	0.279	20%	0.197	S	C	.	.			trans	-76.6	55.3	177.5	34.7	-37.3	0	0	0	111.5	T646 F650 M744 D745 G746	T646-P742 HydrophobicContact CG2-CG 3.98Å; F650-P742 HydrophobicContact CE2-CG 4.16Å; F650-P742 HydrophobicContact CZ-CG 4.01Å; P742-M744 VanDerWaalsContact C-N 3.29Å; P742-M744 PolarHBondContact O-N 3.36Å; P742-D745 HydrophobicContact CB-CB 4.24Å; P742-D745 WeakPolarHBondContact O-CA 3.3Å; P742-D745 WeakPolarHBondContact O-CB 3.44Å; P742-D745 PolarHBondContact O-N 3.08Å; P742-G746 PolarHBondContact O-N 3.43Å
743	L	92.7	Very high	92.5	Very high	3 Å²	3	41 Å²	41	2%	0.016	21%	0.211	C	C	.	.	H	α-helix	trans	-58.4	-37.4	-171.1	-68.2	170.1	0	0	0	113	F650 M706 I714 W735 L739 L741 D745 G746 L747	F650-L743 HydrophobicContact CE1-CD2 3.91Å; F650-L743 HydrophobicContact CZ-CD2 4.31Å; M706-L743 HydrophobicContact CE-CD2 4.33Å; M706-L743 HydrophobicContact SD-CD2 4.41Å; I714-L743 HydrophobicContact CD1-CD2 3.75Å; I714-L743 HydrophobicContact CG1-CD2 4.27Å; W735-L743 HydrophobicContact CB-CB 4.14Å; W735-L743 HydrophobicContact CB-CD1 3.84Å; W735-L743 HydrophobicContact CG-CB 4.31Å; W735-L743 HydrophobicContact CG-CD1 4.24Å; L739-L743 HydrophobicContact CB-CD1 4.11Å; L739-L743 HydrophobicContact CD1-CD1 4.07Å; L741-L743 HydrophobicContact CB-CD2 4.16Å; L741-L743 HydrophobicContact CB-CG 3.96Å; L741-L743 HydrophobicContact CD1-CD2 4.48Å; L741-L743 PolarHBondContact O-N 2.87Å; L743-D745 VanDerWaalsContact C-N 3.33Å; L743-D745 PolarHBondContact O-N 2.87Å; L743-G746 PolarHBondContact O-N 3.43Å; L743-L747 PolarHBondContact O-N 3.47Å
744	M	91	Very high	92.6	Very high	48 Å²	48	42 Å²	42	24%	0.236	21%	0.214	C	C	.	.	H	α-helix	trans	-62.1	-41.4	175	-168.5	-174.5	-98.1	0	0	111.7	W735 P742 Y748 Y805	W735-M744 HydrophobicContact CH2-CE 3.52Å; W735-M744 HydrophobicContact CZ3-CE 3.7Å; P742-M744 VanDerWaalsContact C-N 3.29Å; P742-M744 PolarHBondContact O-N 3.36Å; M744-Y748 HydrophobicContact CG-CD2 3.93Å; M744-Y748 HydrophobicContact CG-CE2 3.87Å; M744-Y748 VanDerWaalsContact O-CD2 3.26Å; M744-Y748 WeakPolarHBondContact O-CD2 3.38Å; M744-Y748 PolarHBondContact O-N 3.43Å; M744-Y748 VanDerWaalsContact O-N 3.13Å; M744-Y748 HydrophobicContact SD-CE2 4.35Å; M744-Y805 HydrophobicContact CG-CE1 4.27Å; M744-Y805 HydrophobicContact CG-CE2 4.29Å; M744-Y805 VanDerWaalsContact CG-OH 3.28Å; M744-Y805 WeakPolarHBondContact CG-OH 3.29Å; M744-Y805 PolarHBondContact O-OH 3.29Å; M744-Y805 HydrophobicContact SD-CD1 4.3Å; M744-Y805 HydrophobicContact SD-CD2 4.35Å; M744-Y805 HydrophobicContact SD-CE1 3.7Å; M744-Y805 HydrophobicContact SD-CE2 3.7Å
745	D	92.3	Very high	92.7	Very high	32 Å²	32	41.8 Å²	41.8	17%	0.171	21%	0.213	C	C	.	.	H	α-helix	trans	-67	-42.1	177.1	-69.6	24.9	0	0	0	110.6	T646 P742 L743 L749 Y805 K808	T646-D745 HydrophobicContact CG2-CB 3.9Å; P742-D745 HydrophobicContact CB-CB 4.24Å; P742-D745 WeakPolarHBondContact O-CA 3.3Å; P742-D745 WeakPolarHBondContact O-CB 3.44Å; P742-D745 PolarHBondContact O-N 3.08Å; L743-D745 VanDerWaalsContact C-N 3.33Å; L743-D745 PolarHBondContact O-N 2.87Å; D745-L749 WeakPolarHBondContact O-CB 3.38Å; D745-L749 WeakPolarHBondContact O-CG 3.41Å; D745-L749 PolarHBondContact O-N 2.94Å; D745-Y805 PolarHBondContact N-OH 3.44Å; D745-Y805 WeakPolarHBondContact OD1-CE2 3.36Å; D745-Y805 PolarHBondContact OD1-OH 3.21Å; D745-K808 IonicContact OD1-NZ 3Å; D745-K808 PolarHBondContact OD1-NZ 3.43Å; D745-K808 IonicContact OD2-NZ 3.56Å; D745-K808 PolarHBondContact OD2-NZ 3.26Å
746	G	93.6	Very high	92.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-55.1	-59.4	174.9	0	0	0	0	0	111.6	P742 L743 Y748 L749 H750	P742-G746 PolarHBondContact O-N 3.43Å; L743-G746 PolarHBondContact O-N 3.43Å; G746-Y748 PolarHBondContact O-N 3.28Å; G746-L749 PolarHBondContact O-N 2.9Å; G746-L749 VanDerWaalsContact O-N 3.15Å; G746-H750 PolarHBondContact O-CD2 3.03Å; G746-H750 PolarHBondContact O-N 3.19Å
747	L	94.8	Very high	92.8	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-53	-50.6	178.6	-77.4	177.8	0	0	0	111.9	F657 M706 A715 I733 L743 L749 H750 M751	F657-L747 HydrophobicContact CD2-CD2 4.26Å; F657-L747 HydrophobicContact CE2-CD2 3.91Å; M706-L747 HydrophobicContact CG-CD2 3.67Å; M706-L747 HydrophobicContact CG-CG 4.33Å; M706-L747 HydrophobicContact SD-CB 4.48Å; M706-L747 HydrophobicContact SD-CD2 3.72Å; M706-L747 HydrophobicContact SD-CG 3.71Å; A715-L747 HydrophobicContact CB-CD1 3.88Å; A715-L747 HydrophobicContact CB-CD2 4.35Å; A715-L747 HydrophobicContact CB-CG 4.21Å; I733-L747 HydrophobicContact CG2-CD1 3.68Å; L743-L747 PolarHBondContact O-N 3.47Å; L747-L749 PolarHBondContact O-N 3.08Å; L747-H750 PolarHBondContact O-N 3.47Å; L747-M751 HydrophobicContact CB-CE 4.35Å; L747-M751 VanDerWaalsContact O-CB 3.31Å; L747-M751 WeakPolarHBondContact O-CB 3.49Å; L747-M751 VanDerWaalsContact O-CG 3.23Å; L747-M751 WeakPolarHBondContact O-CG 3.23Å; L747-M751 PolarHBondContact O-N 2.94Å
748	Y	95	Very high	93.2	Very high	11 Å²	11	50.9 Å²	50.9	4%	0.043	25%	0.249	C	C	.	.	H	α-helix	trans	-64.2	-40.8	179.8	-84.5	-63.1	0	0	0	113	V730 I733 M744 G746 M751 L752 F763 M765 Y805 Y809	V730-Y748 HydrophobicContact CG1-CE1 4.1Å; I733-Y748 HydrophobicContact CD1-CE1 3.82Å; I733-Y748 HydrophobicContact CD1-CE2 3.86Å; I733-Y748 VanDerWaalsContact CD1-OH 3.27Å; I733-Y748 WeakPolarHBondContact CD1-OH 3.44Å; M744-Y748 HydrophobicContact CG-CD2 3.93Å; M744-Y748 HydrophobicContact CG-CE2 3.87Å; M744-Y748 VanDerWaalsContact O-CD2 3.26Å; M744-Y748 WeakPolarHBondContact O-CD2 3.38Å; M744-Y748 PolarHBondContact O-N 3.43Å; M744-Y748 VanDerWaalsContact O-N 3.13Å; M744-Y748 HydrophobicContact SD-CE2 4.35Å; G746-Y748 PolarHBondContact O-N 3.28Å; Y748-M751 HydrophobicContact CD1-CE 3.5Å; Y748-M751 VanDerWaalsContact CD1-CE 3.5Å; Y748-M751 HydrophobicContact CE1-CE 3.94Å; Y748-M751 HydrophobicContact CG-CE 4Å; Y748-L752 WeakPolarHBondContact O-CB 3.4Å; Y748-L752 WeakPolarHBondContact O-CD1 3.24Å; Y748-L752 WeakPolarHBondContact O-CG 3.29Å; Y748-L752 PolarHBondContact O-N 2.89Å; Y748-F763 HydrophobicContact CD1-CE1 4.18Å; Y748-F763 HydrophobicContact CE1-CE1 4.22Å; Y748-M765 HydrophobicContact CD1-CE 3.43Å; Y748-M765 VanDerWaalsContact CD1-CE 3.43Å; Y748-M765 HydrophobicContact CD1-CG 4.29Å; Y748-M765 HydrophobicContact CD2-CE 3.89Å; Y748-M765 HydrophobicContact CE1-CB 4.04Å; Y748-M765 HydrophobicContact CE1-CE 3.49Å; Y748-M765 VanDerWaalsContact CE1-CE 3.49Å; Y748-M765 HydrophobicContact CE1-CG 4.02Å; Y748-M765 HydrophobicContact CE2-CE 3.92Å; Y748-M765 HydrophobicContact CG-CE 3.64Å; Y748-M765 PolarHBondContact OH-O 3.46Å; Y748-Y805 AromaticContact CD2-CE1 3.96Å; Y748-Y805 HydrophobicContact CD2-CE1 3.96Å; Y748-Y805 WeakPolarHBondContact CD2-OH 3.45Å; Y748-Y805 AromaticContact CE2-CE1 3.82Å; Y748-Y805 HydrophobicContact CE2-CE1 3.82Å; Y748-Y809 WeakPolarHBondContact CB-OH 3.48Å
749	L	95.5	Very high	93.5	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-65.5	-45.1	179.2	-72.8	169.9	0	0	0	111.2	F633 T635 F643 T646 L647 D745 G746 L747 L752 L753 Y809	F633-L749 HydrophobicContact CZ-CD2 4.06Å; T635-L749 HydrophobicContact CG2-CD2 4.48Å; F643-L749 HydrophobicContact CB-CD1 4Å; F643-L749 HydrophobicContact CB-CD2 3.81Å; F643-L749 HydrophobicContact CD1-CD1 4.36Å; F643-L749 HydrophobicContact CD1-CD2 4.08Å; F643-L749 HydrophobicContact CD2-CD2 3.79Å; F643-L749 HydrophobicContact CE2-CD2 4.33Å; F643-L749 HydrophobicContact CG-CD1 4.34Å; F643-L749 HydrophobicContact CG-CD2 3.66Å; T646-L749 HydrophobicContact CG2-CD1 4.01Å; L647-L749 HydrophobicContact CD2-CB 3.97Å; L647-L749 HydrophobicContact CD2-CD1 4.45Å; L647-L749 HydrophobicContact CG-CB 4.42Å; L647-L749 HydrophobicContact CG-CD1 4.15Å; D745-L749 WeakPolarHBondContact O-CB 3.38Å; D745-L749 WeakPolarHBondContact O-CG 3.41Å; D745-L749 PolarHBondContact O-N 2.94Å; G746-L749 PolarHBondContact O-N 2.9Å; G746-L749 VanDerWaalsContact O-N 3.15Å; L747-L749 PolarHBondContact O-N 3.08Å; L749-L752 PolarHBondContact O-N 3.22Å; L749-L753 WeakPolarHBondContact O-CB 3.23Å; L749-L753 VanDerWaalsContact O-CG 3.28Å; L749-L753 WeakPolarHBondContact O-CG 3.48Å; L749-L753 PolarHBondContact O-N 2.82Å; L749-Y809 HydrophobicContact CD2-CE1 3.85Å; L749-Y809 HydrophobicContact CG-CE1 4.25Å
750	H	95.7	Very high	93.9	Very high	30 Å²	30	45.7 Å²	45.7	14%	0.139	24%	0.235	C	C	.	.	H	α-helix	trans	-65.5	-43.5	176.8	-75.5	-72.2	0	0	0	112.2	F657 G746 L747 L752 L753 W754	F657-H750 HydrophobicContact CB-CB 4Å; F657-H750 HydrophobicContact CD1-CB 3.49Å; F657-H750 VanDerWaalsContact CD1-CB 3.49Å; F657-H750 HydrophobicContact CD2-CB 3.77Å; F657-H750 HydrophobicContact CE1-CB 3.75Å; F657-H750 HydrophobicContact CE2-CB 4.03Å; F657-H750 HydrophobicContact CG-CB 3.46Å; F657-H750 VanDerWaalsContact CG-CB 3.46Å; F657-H750 AromaticContact CG-CG 3.74Å; F657-H750 HydrophobicContact CZ-CB 4Å; G746-H750 PolarHBondContact O-CD2 3.03Å; G746-H750 PolarHBondContact O-N 3.19Å; L747-H750 PolarHBondContact O-N 3.47Å; H750-L752 PolarHBondContact O-N 3.01Å; H750-L753 PolarHBondContact O-N 3.39Å; H750-W754 VanDerWaalsContact O-CB 3.3Å; H750-W754 WeakPolarHBondContact O-CB 3.48Å; H750-W754 PolarHBondContact O-N 3.16Å
751	M	95.7	Very high	94.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-57.2	-47.6	173.2	-76.4	-171.8	-68.9	0	0	111.7	F657 C717 L719 V730 I733 L747 Y748 L753 W754 S755 F763	F657-M751 HydrophobicContact CZ-CG 4.11Å; C717-M751 HydrophobicContact CB-CE 4.45Å; C717-M751 HydrophobicContact CB-SD 3.91Å; C717-M751 PolarHBondContact SG-SD 2.95Å; L719-M751 HydrophobicContact CD2-CG 4.13Å; L719-M751 HydrophobicContact CD2-SD 3.71Å; V730-M751 HydrophobicContact CB-SD 4.25Å; V730-M751 HydrophobicContact CG2-CE 4.19Å; V730-M751 HydrophobicContact CG2-SD 3.83Å; I733-M751 HydrophobicContact CD1-CE 4.27Å; L747-M751 HydrophobicContact CB-CE 4.35Å; L747-M751 VanDerWaalsContact O-CB 3.31Å; L747-M751 WeakPolarHBondContact O-CB 3.49Å; L747-M751 VanDerWaalsContact O-CG 3.23Å; L747-M751 WeakPolarHBondContact O-CG 3.23Å; L747-M751 PolarHBondContact O-N 2.94Å; Y748-M751 HydrophobicContact CD1-CE 3.5Å; Y748-M751 VanDerWaalsContact CD1-CE 3.5Å; Y748-M751 HydrophobicContact CE1-CE 3.94Å; Y748-M751 HydrophobicContact CG-CE 4Å; M751-L753 VanDerWaalsContact C-N 3.34Å; M751-L753 PolarHBondContact O-N 3.43Å; M751-W754 PolarHBondContact O-N 3.32Å; M751-S755 VanDerWaalsContact O-CB 3.3Å; M751-S755 WeakPolarHBondContact O-CB 3.08Å; M751-S755 PolarHBondContact O-N 2.87Å; M751-S755 PolarHBondContact O-OG 3.35Å; M751-F763 HydrophobicContact CB-CE2 3.91Å; M751-F763 HydrophobicContact CB-CZ 3.96Å; M751-F763 HydrophobicContact CE-CZ 4.15Å; M751-F763 HydrophobicContact SD-CE2 4.43Å; M751-F763 HydrophobicContact SD-CZ 3.89Å
752	L	96.1	Very high	94.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63.3	-39.6	-179.9	-71.6	169.4	0	0	0	112.3	I628 L630 F633 Y748 L749 H750 K756 F763 Y809	I628-L752 HydrophobicContact CB-CD2 3.97Å; I628-L752 HydrophobicContact CG1-CD2 4.02Å; I628-L752 HydrophobicContact CG2-CD2 3.99Å; L630-L752 HydrophobicContact CD2-CB 4.33Å; L630-L752 HydrophobicContact CD2-CD2 3.67Å; F633-L752 HydrophobicContact CD1-CB 4.05Å; F633-L752 HydrophobicContact CD2-CD1 4.35Å; F633-L752 HydrophobicContact CE1-CB 3.64Å; F633-L752 HydrophobicContact CE1-CD1 4.18Å; F633-L752 HydrophobicContact CE2-CD1 3.74Å; F633-L752 HydrophobicContact CZ-CB 3.98Å; F633-L752 HydrophobicContact CZ-CD1 3.64Å; F633-L752 HydrophobicContact CZ-CG 4.45Å; Y748-L752 WeakPolarHBondContact O-CB 3.4Å; Y748-L752 WeakPolarHBondContact O-CD1 3.24Å; Y748-L752 WeakPolarHBondContact O-CG 3.29Å; Y748-L752 PolarHBondContact O-N 2.89Å; L749-L752 PolarHBondContact O-N 3.22Å; H750-L752 PolarHBondContact O-N 3.01Å; L752-K756 WeakPolarHBondContact O-CB 3.27Å; L752-K756 PolarHBondContact O-N 3.15Å; L752-K756 VanDerWaalsContact O-N 3.12Å; L752-F763 HydrophobicContact CD2-CB 3.54Å; L752-F763 HydrophobicContact CD2-CD1 3.69Å; L752-F763 HydrophobicContact CD2-CD2 4.15Å; L752-F763 HydrophobicContact CD2-CE1 4.45Å; L752-F763 HydrophobicContact CD2-CG 3.52Å; L752-Y809 HydrophobicContact CD1-CD1 3.57Å; L752-Y809 HydrophobicContact CD1-CE1 3.83Å; L752-Y809 HydrophobicContact CD1-CG 4.44Å
753	L	94.8	Very high	94.8	Very high	62 Å²	62	39.4 Å²	39.4	33%	0.325	20%	0.199	S	C	.	.	H	α-helix	trans	-67.3	-48.5	176.6	-71.2	172.8	0	0	0	111.2	F633 T635 L647 L749 H750 M751 K756 E757	F633-L753 HydrophobicContact CE1-CD2 4.28Å; T635-L753 HydrophobicContact CG2-CD1 4.49Å; T635-L753 HydrophobicContact CG2-CD2 4.17Å; L647-L753 HydrophobicContact CD1-CD1 4Å; L647-L753 HydrophobicContact CD2-CD1 4.42Å; L749-L753 WeakPolarHBondContact O-CB 3.23Å; L749-L753 VanDerWaalsContact O-CG 3.28Å; L749-L753 WeakPolarHBondContact O-CG 3.48Å; L749-L753 PolarHBondContact O-N 2.82Å; H750-L753 PolarHBondContact O-N 3.39Å; M751-L753 VanDerWaalsContact C-N 3.34Å; M751-L753 PolarHBondContact O-N 3.43Å; L753-K756 WeakPolarHBondContact O-CB 3.49Å; L753-K756 PolarHBondContact O-N 2.62Å; L753-E757 PolarHBondContact O-N 2.66Å
754	W	95.5	Very high	95	Very high	42 Å²	42	39.4 Å²	39.4	16%	0.159	20%	0.198	C	C	.	.	H	α-helix	trans	-60.5	-47	177.2	176.8	88.7	0	0	0	111.5	F657 I659 L719 I728 H750 M751 K756 E757 Q758 Y760	F657-W754 HydrophobicContact CE1-CB 4.48Å; I659-W754 HydrophobicContact CB-CZ2 4.25Å; I659-W754 HydrophobicContact CD1-CD2 4.39Å; I659-W754 HydrophobicContact CG1-CD2 3.69Å; I659-W754 VanDerWaalsContact CG1-CE2 3.48Å; I659-W754 HydrophobicContact CG1-CE3 4.4Å; I659-W754 HydrophobicContact CG1-CG 3.79Å; I659-W754 HydrophobicContact CG1-CZ2 4.02Å; I659-W754 HydrophobicContact CG2-CH2 4.49Å; I659-W754 HydrophobicContact CG2-CZ2 3.9Å; L719-W754 HydrophobicContact CD1-CE3 4.01Å; L719-W754 HydrophobicContact CD1-CH2 3.84Å; L719-W754 HydrophobicContact CD1-CZ3 3.49Å; L719-W754 VanDerWaalsContact CD1-CZ3 3.49Å; I728-W754 HydrophobicContact CD1-CH2 4.41Å; I728-W754 HydrophobicContact CD1-CZ3 3.81Å; H750-W754 VanDerWaalsContact O-CB 3.3Å; H750-W754 WeakPolarHBondContact O-CB 3.48Å; H750-W754 PolarHBondContact O-N 3.16Å; M751-W754 PolarHBondContact O-N 3.32Å; W754-K756 VanDerWaalsContact C-N 3.27Å; W754-K756 PolarHBondContact O-N 2.97Å; W754-E757 WeakPolarHBondContact O-CB 3.18Å; W754-E757 PolarHBondContact O-N 3.36Å; W754-Q758 HydrophobicContact CD2-CG 3.85Å; W754-Q758 VanDerWaalsContact CE2-CG 3.45Å; W754-Q758 HydrophobicContact CE3-CG 4.19Å; W754-Q758 HydrophobicContact CG-CG 4.5Å; W754-Q758 HydrophobicContact CH2-CG 3.86Å; W754-Q758 HydrophobicContact CZ2-CG 3.51Å; W754-Q758 HydrophobicContact CZ3-CG 4.17Å; W754-Q758 WeakPolarHBondContact O-CG 3.47Å; W754-Q758 PolarHBondContact O-N 2.88Å; W754-Y760 HydrophobicContact CH2-CE2 4.4Å; W754-Y760 HydrophobicContact CZ3-CE2 4.13Å
755	S	95.4	Very high	95.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-62	-37.3	179.1	-61.2	0	0	0	0	111.8	I728 M751 Q758 G759 Y760 F763	I728-S755 WeakPolarHBondContact CG2-OG 3.18Å; M751-S755 VanDerWaalsContact O-CB 3.3Å; M751-S755 WeakPolarHBondContact O-CB 3.08Å; M751-S755 PolarHBondContact O-N 2.87Å; M751-S755 PolarHBondContact O-OG 3.35Å; S755-Q758 PolarHBondContact O-N 3.34Å; S755-G759 PolarHBondContact O-N 3.37Å; S755-Y760 WeakPolarHBondContact O-CB 3.45Å; S755-Y760 WeakPolarHBondContact O-CD2 3.36Å; S755-Y760 PolarHBondContact O-N 2.97Å; S755-F763 WeakPolarHBondContact OG-CD2 3.28Å
756	K	95	Very high	95	Very high	91 Å²	91	36.5 Å²	36.5	40%	0.396	19%	0.188	S	C	.	.	H	α-helix	trans	-65.4	-40.8	174.1	-175.9	178.9	-175.1	176.2	0	111.7	L630 F633 L752 L753 W754 G759	L630-K756 HydrophobicContact CB-CB 4.4Å; L630-K756 WeakPolarHBondContact O-CD 3.44Å; L630-K756 WeakPolarHBondContact O-CE 3.39Å; F633-K756 PolarHBondContact O-NZ 3.1Å; L752-K756 WeakPolarHBondContact O-CB 3.27Å; L752-K756 PolarHBondContact O-N 3.15Å; L752-K756 VanDerWaalsContact O-N 3.12Å; L753-K756 WeakPolarHBondContact O-CB 3.49Å; L753-K756 PolarHBondContact O-N 2.62Å; W754-K756 VanDerWaalsContact C-N 3.27Å; W754-K756 PolarHBondContact O-N 2.97Å; K756-G759 PolarHBondContact O-N 3.15Å
757	E	94.9	Very high	94.7	Very high	158 Å²	158	38.1 Å²	38.1	74%	0.738	20%	0.196	S	C	*	.	H	α-helix	trans	-65.3	-38.2	177.2	-174	174.2	-167.6	0	0	112.2	L753 W754 G759	L753-E757 PolarHBondContact O-N 2.66Å; W754-E757 WeakPolarHBondContact O-CB 3.18Å; W754-E757 PolarHBondContact O-N 3.36Å; E757-G759 PolarHBondContact O-N 3.12Å
758	Q	94.2	Very high	94.1	Very high	111 Å²	111	38.2 Å²	38.2	52%	0.519	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-2.5	173.6	-63.8	-54.3	-44.5	0	0	114.2	W754 S755 Y760	W754-Q758 HydrophobicContact CD2-CG 3.85Å; W754-Q758 VanDerWaalsContact CE2-CG 3.45Å; W754-Q758 HydrophobicContact CE3-CG 4.19Å; W754-Q758 HydrophobicContact CG-CG 4.5Å; W754-Q758 HydrophobicContact CH2-CG 3.86Å; W754-Q758 HydrophobicContact CZ2-CG 3.51Å; W754-Q758 HydrophobicContact CZ3-CG 4.17Å; W754-Q758 WeakPolarHBondContact O-CG 3.47Å; W754-Q758 PolarHBondContact O-N 2.88Å; S755-Q758 PolarHBondContact O-N 3.34Å; Q758-Y760 HydrophobicContact CB-CD2 3.95Å; Q758-Y760 HydrophobicContact CB-CE2 3.97Å
759	G	94.4	Very high	93	Very high	56 Å²	56	38.4 Å²	38.4	58%	0.577	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.5	9.9	175.8	0	0	0	0	0	115.6	S755 K756 E757	S755-G759 PolarHBondContact O-N 3.37Å; K756-G759 PolarHBondContact O-N 3.15Å; E757-G759 PolarHBondContact O-N 3.12Å
760	Y	96.1	Very high	91.7	Very high	73 Å²	73	40.6 Å²	40.6	29%	0.286	21%	0.21	S	C	.	.			trans	-64.3	141.8	171.3	-67.5	-75.8	0	0	0	110.7	L630 D726 I728 W754 S755 Q758	L630-Y760 WeakPolarHBondContact CB-O 3.47Å; L630-Y760 VanDerWaalsContact CD1-O 3.3Å; L630-Y760 WeakPolarHBondContact CD1-O 3.13Å; D726-Y760 WeakPolarHBondContact O-CA 3.4Å; D726-Y760 WeakPolarHBondContact O-CD1 3.15Å; I728-Y760 HydrophobicContact CB-CD1 4.02Å; I728-Y760 HydrophobicContact CB-CD2 4.28Å; I728-Y760 HydrophobicContact CB-CE1 4.01Å; I728-Y760 HydrophobicContact CB-CE2 4.25Å; I728-Y760 HydrophobicContact CB-CG 4.17Å; I728-Y760 HydrophobicContact CD1-CD2 4.48Å; I728-Y760 HydrophobicContact CD1-CE2 3.83Å; I728-Y760 HydrophobicContact CG2-CD1 4.42Å; I728-Y760 HydrophobicContact CG2-CD2 4.09Å; I728-Y760 HydrophobicContact CG2-CE2 4.44Å; I728-Y760 HydrophobicContact CG2-CG 4.07Å; W754-Y760 HydrophobicContact CH2-CE2 4.4Å; W754-Y760 HydrophobicContact CZ3-CE2 4.13Å; S755-Y760 WeakPolarHBondContact O-CB 3.45Å; S755-Y760 WeakPolarHBondContact O-CD2 3.36Å; S755-Y760 PolarHBondContact O-N 2.97Å; Q758-Y760 HydrophobicContact CB-CD2 3.95Å; Q758-Y760 HydrophobicContact CB-CE2 3.97Å
761	T	95.9	Very high	89.9	Confident	46 Å²	46	41 Å²	41	28%	0.282	22%	0.217	S	C	.	.	S	Bend	trans	-91.5	-25.6	179.4	67.6	0	0	0	0	112.2	L630 N725 D726	L630-T761 WeakPolarHBondContact CB-O 3.35Å; L630-T761 PolarHBondContact N-O 3.35Å; N725-T761 PolarHBondContact O-OG1 3.15Å; D726-T761 HydrophobicContact CB-CG2 4.07Å; D726-T761 PolarHBondContact O-N 3.43Å
762	K	96.5	Very high	88.3	Confident	65 Å²	65	46.1 Å²	46.1	28%	0.283	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	148.4	-176.6	-65.8	175.9	-174	175.8	0	111.9	I627 I628 D726 A727 I728	I627-K762 HydrophobicContact CG2-CB 4.13Å; I627-K762 HydrophobicContact CG2-CD 4.16Å; I627-K762 HydrophobicContact CG2-CG 4.29Å; I628-K762 CarbonylContact O-C 3.59Å; I628-K762 VanDerWaalsContact O-CA 3.31Å; I628-K762 WeakPolarHBondContact O-CA 2.97Å; D726-K762 PolarHBondContact O-N 3.37Å; A727-K762 VanDerWaalsContact CA-O 3.31Å; A727-K762 WeakPolarHBondContact CA-O 3.44Å; A727-K762 HydrophobicContact CB-CB 3.82Å; I728-K762 PolarHBondContact N-O 2.88Å; I728-K762 VanDerWaalsContact N-O 3.15Å
763	F	96.9	Very high	86.9	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	122.9	171.7	-171	-83	0	0	0	110.5	I628 L630 I728 V730 Y748 M751 L752 S755 M765	I628-F763 HydrophobicContact CB-CB 4.3Å; I628-F763 PolarHBondContact N-O 2.98Å; I628-F763 PolarHBondContact O-N 3.18Å; L630-F763 HydrophobicContact CD1-CB 4.1Å; L630-F763 HydrophobicContact CD2-CB 3.97Å; L630-F763 HydrophobicContact CG-CB 4.09Å; I728-F763 HydrophobicContact CG2-CD2 3.51Å; I728-F763 HydrophobicContact CG2-CE2 3.95Å; I728-F763 HydrophobicContact CG2-CG 4.45Å; I728-F763 CarbonylContact O-C 3.56Å; I728-F763 WeakPolarHBondContact O-CA 3.49Å; V730-F763 HydrophobicContact CB-CZ 4.14Å; V730-F763 HydrophobicContact CG1-CE1 4.14Å; V730-F763 HydrophobicContact CG1-CZ 4.13Å; Y748-F763 HydrophobicContact CD1-CE1 4.18Å; Y748-F763 HydrophobicContact CE1-CE1 4.22Å; M751-F763 HydrophobicContact CB-CE2 3.91Å; M751-F763 HydrophobicContact CB-CZ 3.96Å; M751-F763 HydrophobicContact CE-CZ 4.15Å; M751-F763 HydrophobicContact SD-CE2 4.43Å; M751-F763 HydrophobicContact SD-CZ 3.89Å; L752-F763 HydrophobicContact CD2-CB 3.54Å; L752-F763 HydrophobicContact CD2-CD1 3.69Å; L752-F763 HydrophobicContact CD2-CD2 4.15Å; L752-F763 HydrophobicContact CD2-CE1 4.45Å; L752-F763 HydrophobicContact CD2-CG 3.52Å; S755-F763 WeakPolarHBondContact OG-CD2 3.28Å; F763-M765 HydrophobicContact CD1-CG 3.85Å; F763-M765 HydrophobicContact CE1-CG 4.02Å
764	N	95.6	Very high	85.4	Confident	2 Å²	2	44.5 Å²	44.5	1%	0.011	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	113.9	174.2	-171	-6.4	0	0	0	110.2	Y537 E625 I627 I728 G766	Y537-N764 VanDerWaalsContact CB-ND2 3.28Å; Y537-N764 WeakPolarHBondContact CB-ND2 3.44Å; Y537-N764 HydrophobicContact CD1-CB 4.08Å; Y537-N764 WeakPolarHBondContact CD2-ND2 3.38Å; Y537-N764 HydrophobicContact CE1-CB 4.32Å; Y537-N764 HydrophobicContact CG-CB 4.42Å; E625-N764 PolarHBondContact OE2-ND2 3.19Å; I627-N764 HydrophobicContact CD1-CB 3.74Å; I627-N764 VanDerWaalsContact CD1-CG 3.41Å; I627-N764 WeakPolarHBondContact CD1-OD1 3.35Å; I728-N764 PolarHBondContact O-N 2.92Å; N764-G766 PolarHBondContact O-N 3.45Å; N764-G766 WeakPolarHBondContact OD1-CA 3.46Å; N764-G766 PolarHBondContact OD1-N 3.37Å
765	M	93.3	Very high	84	Confident	2 Å²	2	48 Å²	48	1%	0.01	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	4	175.5	-61.6	-176.8	76.3	0	0	113.3	A626 I628 Y748 F763 K806 Y809	A626-M765 HydrophobicContact CB-CB 4.13Å; A626-M765 PolarHBondContact O-N 3.18Å; I628-M765 HydrophobicContact CD1-SD 3.85Å; I628-M765 HydrophobicContact CG1-CG 3.94Å; I628-M765 HydrophobicContact CG1-SD 3.8Å; Y748-M765 HydrophobicContact CD1-CE 3.43Å; Y748-M765 VanDerWaalsContact CD1-CE 3.43Å; Y748-M765 HydrophobicContact CD1-CG 4.29Å; Y748-M765 HydrophobicContact CD2-CE 3.89Å; Y748-M765 HydrophobicContact CE1-CB 4.04Å; Y748-M765 HydrophobicContact CE1-CE 3.49Å; Y748-M765 VanDerWaalsContact CE1-CE 3.49Å; Y748-M765 HydrophobicContact CE1-CG 4.02Å; Y748-M765 HydrophobicContact CE2-CE 3.92Å; Y748-M765 HydrophobicContact CG-CE 3.64Å; Y748-M765 PolarHBondContact OH-O 3.46Å; F763-M765 HydrophobicContact CD1-CG 3.85Å; F763-M765 HydrophobicContact CE1-CG 4.02Å; M765-K806 HydrophobicContact CB-CD 4.42Å; M765-K806 HydrophobicContact CE-CG 4.31Å; M765-K806 WeakPolarHBondContact O-CE 3.46Å; M765-K806 PolarHBondContact O-NZ 2.98Å; M765-Y809 HydrophobicContact CE-CD2 3.33Å; M765-Y809 HydrophobicContact CE-CE2 3.36Å; M765-Y809 HydrophobicContact CE-CG 4.06Å; M765-Y809 HydrophobicContact SD-CD2 3.69Å; M765-Y809 HydrophobicContact SD-CE2 4.32Å; M765-Y809 HydrophobicContact SD-CG 3.96Å
766	G	89.5	Confident	83.1	Confident	18 Å²	18	53.9 Å²	53.9	19%	0.186	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	82.1	179.7	-175.8	0	0	0	0	0	113.9	A626 N764 K806	A626-G766 PolarHBondContact N-O 3.09Å; N764-G766 PolarHBondContact O-N 3.45Å; N764-G766 WeakPolarHBondContact OD1-CA 3.46Å; N764-G766 PolarHBondContact OD1-N 3.37Å; G766-K806 PolarHBondContact O-NZ 2.98Å
767	M	87.6	Confident	82.1	Confident	34 Å²	34	57.4 Å²	57.4	17%	0.167	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	147.4	-174.4	-168.1	178.5	59.5	0	0	113.5	Q603 L622 E624 E625 T769 K806 R816	Q603-M767 HydrophobicContact CG-CE 4.41Å; Q603-M767 HydrophobicContact CG-SD 4.13Å; L622-M767 HydrophobicContact CB-SD 4.48Å; E624-M767 CarbonylContact O-C 3.57Å; E625-M767 HydrophobicContact CG-CB 4Å; M767-T769 HydrophobicContact CE-CG2 4.15Å; M767-K806 PolarHBondContact O-NZ 2.68Å; M767-R816 HydrophobicContact SD-CB 4.2Å
768	A	82.7	Confident	81.4	Confident	1 Å²	1	60 Å²	60	1%	0.008	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	127	158.1	0	0	0	0	0	108.4	G623 E624 R803 K806 W813	G623-A768 CarbonylContact C-O 3.54Å; G623-A768 WeakPolarHBondContact CA-O 3.46Å; E624-A768 PolarHBondContact N-O 3.48Å; E624-A768 PolarHBondContact O-N 3.37Å; A768-R803 HydrophobicContact CB-CB 4Å; A768-R803 HydrophobicContact CB-CG 4.42Å; A768-K806 HydrophobicContact CB-CD 4.45Å; A768-W813 HydrophobicContact CB-CH2 4.06Å; A768-W813 HydrophobicContact CB-CZ3 3.81Å
769	T	73.1	Confident	80.4	Confident	15 Å²	15	55.8 Å²	55.8	9%	0.092	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	156.6	179.1	63.6	0	0	0	0	111.1	M767 S771 F799	M767-T769 HydrophobicContact CE-CG2 4.15Å; T769-S771 PolarHBondContact O-N 3.46Å; T769-F799 HydrophobicContact CG2-CD1 3.63Å; T769-F799 HydrophobicContact CG2-CE1 3.44Å; T769-F799 VanDerWaalsContact CG2-CE1 3.44Å; T769-F799 HydrophobicContact CG2-CZ 4.3Å; T769-F799 VanDerWaalsContact OG1-CB 3.27Å; T769-F799 WeakPolarHBondContact OG1-CB 3.35Å; T769-F799 WeakPolarHBondContact OG1-CD1 3.48Å; T769-F799 WeakPolarHBondContact OG1-CE1 3.41Å; T769-F799 WeakPolarHBondContact OG1-CG 3.47Å
770	L	66.4	Low	79.6	Confident	46 Å²	46	61.3 Å²	61.3	24%	0.241	30%	0.297	C	S	.	.			trans	-68.6	122.7	176.9	-76.1	178.7	0	0	0	110.6	K621 L622 N772 V773	K621-L770 HydrophobicContact CB-CD1 3.8Å; K621-L770 HydrophobicContact CD-CD1 3.83Å; K621-L770 HydrophobicContact CG-CD1 3.62Å; K621-L770 HydrophobicContact CG-CG 4.44Å; L622-L770 PolarHBondContact O-N 3.32Å; L622-L770 VanDerWaalsContact O-N 3.16Å; L770-N772 PolarHBondContact O-N 3.14Å; L770-V773 HydrophobicContact CB-CG2 3.34Å; L770-V773 HydrophobicContact CD1-CG2 3.87Å; L770-V773 HydrophobicContact CG-CG2 4.28Å
771	S	57.7	Low	78.6	Confident	40 Å²	40	64.5 Å²	64.5	28%	0.28	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-14.1	176.1	57.4	0	0	0	0	114.1	T769	T769-S771 PolarHBondContact O-N 3.46Å
772	N	63.2	Low	77.5	Confident	107 Å²	107	68.6 Å²	68.6	57%	0.572	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.1	13.4	-165.9	-60.7	-2	0	0	0	113.6	L770 G774 Q775	L770-N772 PolarHBondContact O-N 3.14Å; N772-G774 PolarHBondContact O-N 2.86Å; N772-Q775 PolarHBondContact O-N 3.42Å
773	V	65.7	Low	76.5	Confident	20 Å²	20	68.4 Å²	68.4	12%	0.121	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	125.5	-179	-174.1	0	0	0	0	110.3	F620 L770 Q775 G787	F620-V773 HydrophobicContact CE2-CG1 3.44Å; F620-V773 VanDerWaalsContact CE2-CG1 3.44Å; F620-V773 HydrophobicContact CZ-CB 4.41Å; F620-V773 HydrophobicContact CZ-CG1 3.31Å; F620-V773 HydrophobicContact CZ-CG2 4.35Å; L770-V773 HydrophobicContact CB-CG2 3.34Å; L770-V773 HydrophobicContact CD1-CG2 3.87Å; L770-V773 HydrophobicContact CG-CG2 4.28Å; V773-Q775 PolarHBondContact O-N 2.7Å; V773-G787 WeakPolarHBondContact O-CA 3.24Å
774	G	63.7	Low	75.6	Confident	8 Å²	8	74.2 Å²	74.2	8%	0.082	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.4	7.2	173.7	0	0	0	0	0	114.8	N772 R784	N772-G774 PolarHBondContact O-N 2.86Å; G774-R784 WeakPolarHBondContact O-CG 3.47Å
775	Q	67.4	Low	74.5	Confident	115 Å²	115	77.7 Å²	77.7	54%	0.537	37%	0.368	S	S	.	.			trans	-90.6	-18.2	179.7	-63.5	-63.3	-13.3	0	0	113	N772 V773 E791	N772-Q775 PolarHBondContact O-N 3.42Å; V773-Q775 PolarHBondContact O-N 2.7Å; Q775-E791 PolarHBondContact NE2-OE1 3.27Å
776	L	75.3	Confident	73.5	Confident	124 Å²	124	77.6 Å²	77.6	65%	0.649	37%	0.368	S	S	*	.	S	Bend	trans	-78.2	146.6	178	-63.7	174.4	0	0	0	111.3	Y778 S779	L776-Y778 VanDerWaalsContact C-N 3.26Å; L776-Y778 PolarHBondContact O-N 3.33Å; L776-S779 VanDerWaalsContact O-CB 3.29Å; L776-S779 WeakPolarHBondContact O-CB 3.37Å; L776-S779 PolarHBondContact O-N 3.26Å; L776-S779 PolarHBondContact O-OG 3.41Å
777	H	74.4	Confident	72.7	Confident	164 Å²	164	77 Å²	77	76%	0.759	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-35.9	-177.3	-171.8	74.3	0	0	0	113.4	S779	H777-S779 VanDerWaalsContact C-N 3.33Å
778	Y	80	Confident	72	Confident	214 Å²	214	82.9 Å²	82.9	84%	0.839	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	1.5	180	-59.9	-71.6	0	0	0	114.1	L776	L776-Y778 VanDerWaalsContact C-N 3.26Å; L776-Y778 PolarHBondContact O-N 3.33Å
779	S	74.3	Confident	71.2	Confident	21 Å²	21	84.3 Å²	84.3	15%	0.147	39%	0.39	C	S	.	.			trans	-63.9	136.5	177.1	-72	0	0	0	0	111.3	L776 H777 E783	L776-S779 VanDerWaalsContact O-CB 3.29Å; L776-S779 WeakPolarHBondContact O-CB 3.37Å; L776-S779 PolarHBondContact O-N 3.26Å; L776-S779 PolarHBondContact O-OG 3.41Å; H777-S779 VanDerWaalsContact C-N 3.33Å; S779-E783 WeakPolarHBondContact CA-OE2 3.29Å
780	Y	76.8	Confident	70.9	Confident	173 Å²	173	85.1 Å²	85.1	68%	0.678	39%	0.393	S	S	*	.			trans	-61.3	147.7	177.7	-66.5	-77.1	0	0	0	110.6	R782 E783 R784	Y780-R782 PolarHBondContact O-N 3.02Å; Y780-E783 PolarHBondContact N-OE2 3.05Å; Y780-E783 VanDerWaalsContact N-OE2 3.14Å; Y780-E783 WeakPolarHBondContact O-CA 3.34Å; Y780-E783 WeakPolarHBondContact O-CB 3.25Å; Y780-E783 PolarHBondContact O-N 3.11Å; Y780-R784 PolarHBondContact O-N 3.28Å
781	L	74.2	Confident	70.9	Confident	140 Å²	140	87.4 Å²	87.4	73%	0.733	40%	0.402	S	S	*	.	H	α-helix	trans	-48.1	-36.7	176.6	-111.6	146.4	0	0	0	113.1	L785	L781-L785 WeakPolarHBondContact O-CG 3.47Å; L781-L785 PolarHBondContact O-N 3.19Å; L781-L785 VanDerWaalsContact O-N 3.08Å
782	R	73.9	Confident	71.2	Confident	132 Å²	132	93 Å²	93	50%	0.498	42%	0.424	S	S	.	.	H	α-helix	trans	-67.8	-37.4	177.3	-61.3	-177.6	-175.4	-168.8	2.1	113	Y780 A786	Y780-R782 PolarHBondContact O-N 3.02Å; R782-A786 WeakPolarHBondContact O-CB 3.4Å; R782-A786 PolarHBondContact O-N 3.24Å
783	E	74.6	Confident	71	Confident	60 Å²	60	90.5 Å²	90.5	28%	0.28	41%	0.408	S	S	.	.	H	α-helix	trans	-72.4	-38.3	177	-65.1	173.4	168.5	0	0	111.2	F620 S779 Y780 L785 A786 G787	F620-E783 HydrophobicContact CD2-CG 4.46Å; F620-E783 HydrophobicContact CE2-CG 4.37Å; S779-E783 WeakPolarHBondContact CA-OE2 3.29Å; Y780-E783 PolarHBondContact N-OE2 3.05Å; Y780-E783 VanDerWaalsContact N-OE2 3.14Å; Y780-E783 WeakPolarHBondContact O-CA 3.34Å; Y780-E783 WeakPolarHBondContact O-CB 3.25Å; Y780-E783 PolarHBondContact O-N 3.11Å; E783-L785 VanDerWaalsContact C-N 3.31Å; E783-L785 PolarHBondContact O-N 3.36Å; E783-A786 WeakPolarHBondContact O-CB 3.47Å; E783-A786 PolarHBondContact O-N 2.85Å; E783-G787 PolarHBondContact O-N 3.47Å
784	R	78	Confident	70.4	Confident	122 Å²	122	92.3 Å²	92.3	46%	0.46	42%	0.417	S	S	.	.	H	α-helix	trans	-60.5	-43.1	173.3	-56.9	-173.5	70.6	-178.3	0.2	111.2	G774 Y780 G787 R788	G774-R784 WeakPolarHBondContact O-CG 3.47Å; Y780-R784 PolarHBondContact O-N 3.28Å; R784-G787 PolarHBondContact O-N 3Å; R784-R788 WeakPolarHBondContact O-CG 3.41Å; R784-R788 PolarHBondContact O-N 3.35Å; R784-R788 VanDerWaalsContact O-N 3.13Å
785	L	73.2	Confident	69.9	Low	75 Å²	75	95.8 Å²	95.8	39%	0.393	45%	0.452	S	S	.	.	H	α-helix	trans	-65	-41	173.3	-72.1	171.2	0	0	0	112	L781 E783 R788 V789	L781-L785 WeakPolarHBondContact O-CG 3.47Å; L781-L785 PolarHBondContact O-N 3.19Å; L781-L785 VanDerWaalsContact O-N 3.08Å; E783-L785 VanDerWaalsContact C-N 3.31Å; E783-L785 PolarHBondContact O-N 3.36Å; L785-R788 PolarHBondContact O-N 3.24Å; L785-V789 WeakPolarHBondContact O-CG2 3.39Å; L785-V789 PolarHBondContact O-N 3.44Å
786	A	72.5	Confident	68.8	Low	0 Å²	0	93.6 Å²	93.6	0%	0	44%	0.444	C	S	.	.	H	α-helix	trans	-62.3	-43.4	175.1	0	0	0	0	0	112	F620 R782 E783 R788 V789 F790 L826 L830	F620-A786 HydrophobicContact CE2-CB 4.04Å; F620-A786 HydrophobicContact CZ-CB 3.93Å; R782-A786 WeakPolarHBondContact O-CB 3.4Å; R782-A786 PolarHBondContact O-N 3.24Å; E783-A786 WeakPolarHBondContact O-CB 3.47Å; E783-A786 PolarHBondContact O-N 2.85Å; A786-R788 VanDerWaalsContact C-N 3.32Å; A786-R788 PolarHBondContact O-N 2.87Å; A786-V789 CarbonylContact O-C 3.54Å; A786-V789 WeakPolarHBondContact O-CA 3.32Å; A786-V789 WeakPolarHBondContact O-CB 3.47Å; A786-V789 PolarHBondContact O-N 3.48Å; A786-V789 VanDerWaalsContact O-N 3.08Å; A786-F790 WeakPolarHBondContact O-CD2 3.37Å; A786-F790 PolarHBondContact O-N 2.91Å; A786-L826 HydrophobicContact CB-CD2 3.51Å; A786-L826 HydrophobicContact CB-CG 3.96Å; A786-L830 HydrophobicContact CB-CD1 3.81Å
787	G	72.4	Confident	67.5	Low	5 Å²	5	92.2 Å²	92.2	5%	0.052	43%	0.431	C	S	.	.	H	α-helix	trans	-56.2	-44.3	174.1	0	0	0	0	0	112.2	V773 E783 R784 V789 F790 E791	V773-G787 WeakPolarHBondContact O-CA 3.24Å; E783-G787 PolarHBondContact O-N 3.47Å; R784-G787 PolarHBondContact O-N 3Å; G787-V789 PolarHBondContact O-N 3.17Å; G787-F790 PolarHBondContact O-N 3.35Å; G787-E791 WeakPolarHBondContact O-CG 3.48Å; G787-E791 PolarHBondContact O-N 3.14Å
788	R	72.1	Confident	66.4	Low	159 Å²	159	95.4 Å²	95.4	60%	0.6	44%	0.436	S	S	*	.	H	α-helix	trans	-64.2	-37.2	173.6	-69.9	-178.4	-173	173.7	0.4	113.4	R784 L785 A786 E791 H792	R784-R788 WeakPolarHBondContact O-CG 3.41Å; R784-R788 PolarHBondContact O-N 3.35Å; R784-R788 VanDerWaalsContact O-N 3.13Å; L785-R788 PolarHBondContact O-N 3.24Å; A786-R788 VanDerWaalsContact C-N 3.32Å; A786-R788 PolarHBondContact O-N 2.87Å; R788-E791 PolarHBondContact O-N 3.25Å; R788-H792 WeakPolarHBondContact O-CB 3.37Å; R788-H792 PolarHBondContact O-N 3.32Å
789	V	67.3	Low	65.1	Low	30 Å²	30	86.4 Å²	86.4	18%	0.182	40%	0.402	C	S	.	.	H	α-helix	trans	-62.6	-52.3	173.5	170.6	0	0	0	0	108.7	L785 A786 G787 E791 H792 F793 W827 M834	L785-V789 WeakPolarHBondContact O-CG2 3.39Å; L785-V789 PolarHBondContact O-N 3.44Å; A786-V789 CarbonylContact O-C 3.54Å; A786-V789 WeakPolarHBondContact O-CA 3.32Å; A786-V789 WeakPolarHBondContact O-CB 3.47Å; A786-V789 PolarHBondContact O-N 3.48Å; A786-V789 VanDerWaalsContact O-N 3.08Å; G787-V789 PolarHBondContact O-N 3.17Å; V789-E791 VanDerWaalsContact C-N 3.31Å; V789-E791 PolarHBondContact O-N 3Å; V789-H792 PolarHBondContact O-N 3.37Å; V789-H792 VanDerWaalsContact O-N 3.13Å; V789-F793 HydrophobicContact CG1-CD2 3.73Å; V789-F793 HydrophobicContact CG1-CE2 3.87Å; V789-F793 WeakPolarHBondContact O-CD2 3.35Å; V789-F793 PolarHBondContact O-N 3.47Å; V789-W827 HydrophobicContact CG2-CB 4.3Å; V789-M834 HydrophobicContact CG1-CE 3.59Å; V789-M834 HydrophobicContact CG1-SD 4.47Å
790	F	66.2	Low	64	Low	33 Å²	33	92 Å²	92	15%	0.145	43%	0.426	C	S	.	.	H	α-helix	trans	-50.8	-53	174.4	-80.7	-73.9	0	0	0	110.8	F620 L622 A786 G787 H792 F793 N794 L830	F620-F790 AromaticContact CE1-CE2 3.56Å; F620-F790 HydrophobicContact CE1-CE2 3.56Å; F620-F790 HydrophobicContact CE1-CZ 4.12Å; F620-F790 HydrophobicContact CZ-CD2 4.48Å; F620-F790 AromaticContact CZ-CE2 3.83Å; F620-F790 HydrophobicContact CZ-CE2 3.83Å; L622-F790 HydrophobicContact CD2-CZ 3.82Å; A786-F790 WeakPolarHBondContact O-CD2 3.37Å; A786-F790 PolarHBondContact O-N 2.91Å; G787-F790 PolarHBondContact O-N 3.35Å; F790-H792 PolarHBondContact O-N 3.37Å; F790-F793 CarbonylContact O-C 3.55Å; F790-F793 WeakPolarHBondContact O-CA 3.49Å; F790-F793 PolarHBondContact O-N 3.35Å; F790-N794 PolarHBondContact O-N 2.78Å; F790-N794 PolarHBondContact O-OD1 3.03Å; F790-L830 HydrophobicContact CD2-CD1 4.36Å; F790-L830 HydrophobicContact CE2-CD1 3.61Å; F790-L830 HydrophobicContact CE2-CD2 3.92Å; F790-L830 HydrophobicContact CE2-CG 4.44Å; F790-L830 HydrophobicContact CZ-CD1 4.15Å; F790-L830 HydrophobicContact CZ-CD2 3.58Å
791	E	66	Low	63.5	Low	93 Å²	93	85.9 Å²	85.9	44%	0.435	42%	0.415	S	S	.	.	H	α-helix	trans	-53.9	-44	177.7	-76.9	175.4	-176.5	0	0	114.6	Q775 G787 R788 V789 F793 N794	Q775-E791 PolarHBondContact NE2-OE1 3.27Å; G787-E791 WeakPolarHBondContact O-CG 3.48Å; G787-E791 PolarHBondContact O-N 3.14Å; R788-E791 PolarHBondContact O-N 3.25Å; V789-E791 VanDerWaalsContact C-N 3.31Å; V789-E791 PolarHBondContact O-N 3Å; E791-F793 VanDerWaalsContact C-N 3.27Å; E791-F793 PolarHBondContact O-N 2.87Å; E791-N794 WeakPolarHBondContact CA-OD1 3.37Å; E791-N794 PolarHBondContact N-OD1 3.25Å; E791-N794 WeakPolarHBondContact O-CB 3.42Å; E791-N794 PolarHBondContact O-N 3.26Å
792	H	65.1	Low	63.7	Low	159 Å²	159	81.5 Å²	81.5	74%	0.736	39%	0.392	S	S	*	.	H	α-helix	trans	-67	-32.2	177.2	-169.7	72.9	0	0	0	112.1	R788 V789 F790	R788-H792 WeakPolarHBondContact O-CB 3.37Å; R788-H792 PolarHBondContact O-N 3.32Å; V789-H792 PolarHBondContact O-N 3.37Å; V789-H792 VanDerWaalsContact O-N 3.13Å; F790-H792 PolarHBondContact O-N 3.37Å
793	F	59	Low	64	Low	54 Å²	54	78.2 Å²	78.2	24%	0.237	38%	0.38	C	S	.	.	H	α-helix	trans	-86.1	-9	175.2	-75.9	-90.4	0	0	0	113.1	V789 F790 E791 G795 L796 M834 R838	V789-F793 HydrophobicContact CG1-CD2 3.73Å; V789-F793 HydrophobicContact CG1-CE2 3.87Å; V789-F793 WeakPolarHBondContact O-CD2 3.35Å; V789-F793 PolarHBondContact O-N 3.47Å; F790-F793 CarbonylContact O-C 3.55Å; F790-F793 WeakPolarHBondContact O-CA 3.49Å; F790-F793 PolarHBondContact O-N 3.35Å; E791-F793 VanDerWaalsContact C-N 3.27Å; E791-F793 PolarHBondContact O-N 2.87Å; F793-G795 PolarHBondContact O-N 3.08Å; F793-L796 PolarHBondContact O-N 3Å; F793-L796 VanDerWaalsContact O-N 3.16Å; F793-M834 HydrophobicContact CB-SD 3.96Å; F793-M834 HydrophobicContact CD1-CE 4.22Å; F793-M834 HydrophobicContact CD1-SD 3.45Å; F793-M834 WeakPolarHBondContact CD1-SD 3.43Å; F793-M834 HydrophobicContact CD2-CE 3.59Å; F793-M834 HydrophobicContact CD2-SD 3.51Å; F793-M834 VanDerWaalsContact CD2-SD 3.51Å; F793-M834 HydrophobicContact CE1-CE 3.98Å; F793-M834 HydrophobicContact CE1-SD 3.74Å; F793-M834 HydrophobicContact CE2-CE 3.31Å; F793-M834 HydrophobicContact CE2-SD 3.8Å; F793-M834 HydrophobicContact CG-CE 4.06Å; F793-M834 HydrophobicContact CG-SD 3.35Å; F793-M834 WeakPolarHBondContact CG-SD 3.24Å; F793-M834 HydrophobicContact CZ-CE 3.53Å; F793-M834 HydrophobicContact CZ-SD 3.91Å; F793-R838 VanDerWaalsContact CD1-NH2 3.29Å
794	N	53	Low	64.5	Low	57 Å²	57	85.6 Å²	85.6	31%	0.305	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-57.5	-14.6	175.9	-70.5	5.9	0	0	0	113.8	F790 E791 L796 Y797 F799	F790-N794 PolarHBondContact O-N 2.78Å; F790-N794 PolarHBondContact O-OD1 3.03Å; E791-N794 WeakPolarHBondContact CA-OD1 3.37Å; E791-N794 PolarHBondContact N-OD1 3.25Å; E791-N794 WeakPolarHBondContact O-CB 3.42Å; E791-N794 PolarHBondContact O-N 3.26Å; N794-L796 PolarHBondContact O-N 3.44Å; N794-Y797 CarbonylContact O-C 3.44Å; N794-Y797 PolarHBondContact O-N 3.34Å; N794-Y797 VanDerWaalsContact O-O 3.06Å; N794-F799 HydrophobicContact CB-CD2 3.86Å; N794-F799 HydrophobicContact CB-CE2 3.94Å; N794-F799 WeakPolarHBondContact OD1-CD2 3.28Å; N794-F799 WeakPolarHBondContact OD1-CE2 3.49Å
795	G	52.3	Low	64.9	Low	81 Å²	81	81.9 Å²	81.9	84%	0.835	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-53.7	-24.6	171.5	0	0	0	0	0	113.4	F793	F793-G795 PolarHBondContact O-N 3.08Å
796	L	44.4	Very low	65.8	Low	70 Å²	70	78.6 Å²	78.6	37%	0.366	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-96.1	-20.6	-178.3	-71.9	178.5	0	0	0	115.5	M686 F793 N794	M686-L796 HydrophobicContact CE-CB 4.13Å; M686-L796 HydrophobicContact CE-CD1 4.11Å; M686-L796 HydrophobicContact CE-CD2 4.4Å; M686-L796 HydrophobicContact CE-CG 4.48Å; F793-L796 PolarHBondContact O-N 3Å; F793-L796 VanDerWaalsContact O-N 3.16Å; N794-L796 PolarHBondContact O-N 3.44Å
797	Y	47.8	Very low	66.6	Low	94 Å²	94	81.1 Å²	81.1	37%	0.369	39%	0.391	S	S	.	.			trans	-142.9	116.1	-179.6	-75.7	-82.6	0	0	0	108.4	M686 N794 F799	M686-Y797 HydrophobicContact CE-CD2 4.28Å; M686-Y797 HydrophobicContact CE-CE2 3.47Å; M686-Y797 VanDerWaalsContact CE-CE2 3.47Å; M686-Y797 HydrophobicContact SD-CE2 3.49Å; M686-Y797 WeakPolarHBondContact SD-CE2 3.41Å; M686-Y797 PolarHBondContact SD-OH 2.9Å; N794-Y797 CarbonylContact O-C 3.44Å; N794-Y797 PolarHBondContact O-N 3.34Å; N794-Y797 VanDerWaalsContact O-O 3.06Å; Y797-F799 VanDerWaalsContact CB-CZ 3.49Å; Y797-F799 HydrophobicContact CD2-CE1 4.19Å; Y797-F799 HydrophobicContact CD2-CZ 4.24Å; Y797-F799 AromaticContact CG-CE1 3.87Å; Y797-F799 HydrophobicContact CG-CE1 3.87Å; Y797-F799 HydrophobicContact CG-CZ 4.23Å; Y797-F799 WeakPolarHBondContact O-CD2 3.44Å; Y797-F799 WeakPolarHBondContact O-CE2 3.33Å; Y797-F799 VanDerWaalsContact O-CG 3.25Å; Y797-F799 WeakPolarHBondContact O-CG 3.4Å; Y797-F799 PolarHBondContact O-N 2.94Å
798	R	50.5	Low	67.5	Low	231 Å²	231	83.6 Å²	83.6	87%	0.872	40%	0.401	S	S	*	.			trans	-72	73.6	176.4	-66.3	-179.2	178.9	176.1	0.4	110.4	Q800 G801 L802	R798-Q800 PolarHBondContact O-N 3.46Å; R798-G801 PolarHBondContact O-N 3.31Å; R798-G801 VanDerWaalsContact O-N 3.11Å; R798-L802 PolarHBondContact O-N 3.4Å
799	F	53.5	Low	68.4	Low	25 Å²	25	76.1 Å²	76.1	11%	0.11	37%	0.372	C	S	.	.	H	α-helix	trans	-62.2	-39.2	-163.7	-62.4	-67.9	0	0	0	115.9	T769 N794 Y797 G801 L802 R803	T769-F799 HydrophobicContact CG2-CD1 3.63Å; T769-F799 HydrophobicContact CG2-CE1 3.44Å; T769-F799 VanDerWaalsContact CG2-CE1 3.44Å; T769-F799 HydrophobicContact CG2-CZ 4.3Å; T769-F799 VanDerWaalsContact OG1-CB 3.27Å; T769-F799 WeakPolarHBondContact OG1-CB 3.35Å; T769-F799 WeakPolarHBondContact OG1-CD1 3.48Å; T769-F799 WeakPolarHBondContact OG1-CE1 3.41Å; T769-F799 WeakPolarHBondContact OG1-CG 3.47Å; N794-F799 HydrophobicContact CB-CD2 3.86Å; N794-F799 HydrophobicContact CB-CE2 3.94Å; N794-F799 WeakPolarHBondContact OD1-CD2 3.28Å; N794-F799 WeakPolarHBondContact OD1-CE2 3.49Å; Y797-F799 VanDerWaalsContact CB-CZ 3.49Å; Y797-F799 HydrophobicContact CD2-CE1 4.19Å; Y797-F799 HydrophobicContact CD2-CZ 4.24Å; Y797-F799 AromaticContact CG-CE1 3.87Å; Y797-F799 HydrophobicContact CG-CE1 3.87Å; Y797-F799 HydrophobicContact CG-CZ 4.23Å; Y797-F799 WeakPolarHBondContact O-CD2 3.44Å; Y797-F799 WeakPolarHBondContact O-CE2 3.33Å; Y797-F799 VanDerWaalsContact O-CG 3.25Å; Y797-F799 WeakPolarHBondContact O-CG 3.4Å; Y797-F799 PolarHBondContact O-N 2.94Å; F799-G801 VanDerWaalsContact C-N 3.29Å; F799-G801 PolarHBondContact O-N 3.01Å; F799-L802 PolarHBondContact O-N 3.21Å; F799-R803 PolarHBondContact O-N 3.18Å
800	Q	50.3	Low	69.6	Low	140 Å²	140	80.7 Å²	80.7	65%	0.654	40%	0.396	S	S	*	.	H	α-helix	trans	-66.2	-34.7	176.4	-76.1	-177.5	0.6	0	0	111.9	R798 R804	R798-Q800 PolarHBondContact O-N 3.46Å; Q800-R804 PolarHBondContact O-N 3.4Å
801	G	67.4	Low	70.8	Confident	44 Å²	44	79.8 Å²	79.8	45%	0.454	39%	0.393	S	S	.	.	H	α-helix	trans	-64.4	-43.2	175.1	0	0	0	0	0	111.6	R798 F799 R804 Y805	R798-G801 PolarHBondContact O-N 3.31Å; R798-G801 VanDerWaalsContact O-N 3.11Å; F799-G801 VanDerWaalsContact C-N 3.29Å; F799-G801 PolarHBondContact O-N 3.01Å; G801-R804 PolarHBondContact O-N 3.3Å; G801-Y805 WeakPolarHBondContact O-CB 3.48Å; G801-Y805 PolarHBondContact O-N 3.39Å
802	L	77.5	Confident	72.2	Confident	47 Å²	47	80.6 Å²	80.6	25%	0.246	40%	0.401	C	S	.	.	H	α-helix	trans	-68.3	-42.2	-173.8	-166.7	65.7	0	0	0	113.4	R798 F799 Y805 K806	R798-L802 PolarHBondContact O-N 3.4Å; F799-L802 PolarHBondContact O-N 3.21Å; L802-Y805 WeakPolarHBondContact O-CB 3.39Å; L802-Y805 PolarHBondContact O-N 3.27Å; L802-K806 HydrophobicContact CG-CD 4.32Å; L802-K806 WeakPolarHBondContact O-CG 3.33Å; L802-K806 PolarHBondContact O-N 3.21Å
803	R	81.9	Confident	73.4	Confident	64 Å²	64	75.6 Å²	75.6	24%	0.242	38%	0.375	C	S	.	.	H	α-helix	trans	-63.2	-49.4	175.7	-174	-178.4	179.8	83.3	-5.3	111	E624 A768 F799 Y805 K806 S807 W813	E624-R803 IonicContact OE2-CZ 3.16Å; E624-R803 IonicContact OE2-NH1 3.72Å; E624-R803 PolarHBondContact OE2-NH1 2.96Å; E624-R803 IonicContact OE2-NH2 3.03Å; E624-R803 PolarHBondContact OE2-NH2 3.32Å; A768-R803 HydrophobicContact CB-CB 4Å; A768-R803 HydrophobicContact CB-CG 4.42Å; F799-R803 PolarHBondContact O-N 3.18Å; R803-Y805 VanDerWaalsContact C-N 3.26Å; R803-Y805 PolarHBondContact O-N 3.4Å; R803-K806 PolarHBondContact O-N 3.22Å; R803-S807 PolarHBondContact O-N 3.47Å; R803-S807 PolarHBondContact O-OG 3.05Å; R803-W813 HydrophobicContact CG-CH2 3.79Å; R803-W813 HydrophobicContact CG-CZ2 3.91Å
804	R	83.8	Confident	75	Confident	214 Å²	214	75 Å²	75	81%	0.808	37%	0.373	S	S	*	.	H	α-helix	trans	-59.8	-39.7	178.5	-175.2	178	178.5	-177	-1	111.5	Q800 G801	Q800-R804 PolarHBondContact O-N 3.4Å; G801-R804 PolarHBondContact O-N 3.3Å
805	Y	87.5	Confident	76.8	Confident	44 Å²	44	73.3 Å²	73.3	17%	0.173	37%	0.365	C	S	.	.	H	α-helix	trans	-59.2	-56.1	174.2	175.1	-87.4	0	0	0	111	M744 D745 Y748 G801 L802 R803 S807 K808 Y809	M744-Y805 HydrophobicContact CG-CE1 4.27Å; M744-Y805 HydrophobicContact CG-CE2 4.29Å; M744-Y805 VanDerWaalsContact CG-OH 3.28Å; M744-Y805 WeakPolarHBondContact CG-OH 3.29Å; M744-Y805 PolarHBondContact O-OH 3.29Å; M744-Y805 HydrophobicContact SD-CD1 4.3Å; M744-Y805 HydrophobicContact SD-CD2 4.35Å; M744-Y805 HydrophobicContact SD-CE1 3.7Å; M744-Y805 HydrophobicContact SD-CE2 3.7Å; D745-Y805 PolarHBondContact N-OH 3.44Å; D745-Y805 WeakPolarHBondContact OD1-CE2 3.36Å; D745-Y805 PolarHBondContact OD1-OH 3.21Å; Y748-Y805 AromaticContact CD2-CE1 3.96Å; Y748-Y805 HydrophobicContact CD2-CE1 3.96Å; Y748-Y805 WeakPolarHBondContact CD2-OH 3.45Å; Y748-Y805 AromaticContact CE2-CE1 3.82Å; Y748-Y805 HydrophobicContact CE2-CE1 3.82Å; G801-Y805 WeakPolarHBondContact O-CB 3.48Å; G801-Y805 PolarHBondContact O-N 3.39Å; L802-Y805 WeakPolarHBondContact O-CB 3.39Å; L802-Y805 PolarHBondContact O-N 3.27Å; R803-Y805 VanDerWaalsContact C-N 3.26Å; R803-Y805 PolarHBondContact O-N 3.4Å; Y805-S807 VanDerWaalsContact C-N 3.3Å; Y805-S807 PolarHBondContact O-N 2.97Å; Y805-K808 WeakPolarHBondContact O-CB 3.45Å; Y805-K808 VanDerWaalsContact O-CD 3.27Å; Y805-K808 WeakPolarHBondContact O-CD 3.42Å; Y805-K808 WeakPolarHBondContact O-CG 3.21Å; Y805-K808 PolarHBondContact O-N 3.21Å; Y805-K808 PolarHBondContact OH-NZ 3.41Å; Y805-Y809 HydrophobicContact CE1-CE2 4.06Å; Y805-Y809 PolarHBondContact OH-OH 3.36Å
806	K	90.6	Very high	78.6	Confident	7 Å²	7	69.6 Å²	69.6	3%	0.03	33%	0.326	C	S	.	.	H	α-helix	trans	-63.9	-33.3	-177.9	-70.7	178.7	176.2	-173.3	0	112.6	A626 M765 G766 M767 A768 L802 R803 K808 Y809 P811 W813	A626-K806 HydrophobicContact CB-CB 4.11Å; A626-K806 HydrophobicContact CB-CD 3.94Å; A626-K806 HydrophobicContact CB-CG 4.47Å; M765-K806 HydrophobicContact CB-CD 4.42Å; M765-K806 HydrophobicContact CE-CG 4.31Å; M765-K806 WeakPolarHBondContact O-CE 3.46Å; M765-K806 PolarHBondContact O-NZ 2.98Å; G766-K806 PolarHBondContact O-NZ 2.98Å; M767-K806 PolarHBondContact O-NZ 2.68Å; A768-K806 HydrophobicContact CB-CD 4.45Å; L802-K806 HydrophobicContact CG-CD 4.32Å; L802-K806 WeakPolarHBondContact O-CG 3.33Å; L802-K806 PolarHBondContact O-N 3.21Å; R803-K806 PolarHBondContact O-N 3.22Å; K806-K808 PolarHBondContact O-N 2.89Å; K806-Y809 PolarHBondContact O-N 2.91Å; K806-P811 WeakPolarHBondContact O-CD 3.06Å; K806-W813 HydrophobicContact CB-CH2 3.83Å; K806-W813 HydrophobicContact CB-CZ2 4.36Å
807	S	90.6	Very high	80.9	Confident	52 Å²	52	67.4 Å²	67.4	36%	0.364	31%	0.314	S	S	.	.	H	α-helix	trans	-55.6	-25.3	176.1	-68.9	0	0	0	0	114	R803 Y805 Y809 N810	R803-S807 PolarHBondContact O-N 3.47Å; R803-S807 PolarHBondContact O-OG 3.05Å; Y805-S807 VanDerWaalsContact C-N 3.3Å; Y805-S807 PolarHBondContact O-N 2.97Å; S807-Y809 PolarHBondContact O-N 3.48Å; S807-N810 PolarHBondContact O-N 3.22Å
808	K	90.6	Very high	83.1	Confident	58 Å²	58	63 Å²	63	25%	0.252	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-27.1	178.3	80.4	-165.9	172.8	176.7	0	112.7	R640 F643 D745 Y805 K806 N810	R640-K808 PolarHBondContact NH1-O 3.32Å; F643-K808 HydrophobicContact CE1-CD 4.28Å; F643-K808 HydrophobicContact CE1-CG 3.96Å; F643-K808 HydrophobicContact CZ-CG 4.04Å; F643-K808 WeakPolarHBondContact CZ-O 3.24Å; D745-K808 IonicContact OD1-NZ 3Å; D745-K808 PolarHBondContact OD1-NZ 3.43Å; D745-K808 IonicContact OD2-NZ 3.56Å; D745-K808 PolarHBondContact OD2-NZ 3.26Å; Y805-K808 WeakPolarHBondContact O-CB 3.45Å; Y805-K808 VanDerWaalsContact O-CD 3.27Å; Y805-K808 WeakPolarHBondContact O-CD 3.42Å; Y805-K808 WeakPolarHBondContact O-CG 3.21Å; Y805-K808 PolarHBondContact O-N 3.21Å; Y805-K808 PolarHBondContact OH-NZ 3.41Å; K806-K808 PolarHBondContact O-N 2.89Å; K808-N810 VanDerWaalsContact C-N 3.26Å; K808-N810 PolarHBondContact O-N 3.04Å
809	Y	92	Very high	85.2	Confident	2 Å²	2	52 Å²	52	1%	0.008	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-6.9	178.1	-62.7	-85.5	0	0	0	113	F633 R640 F643 Y748 L749 L752 M765 Y805 K806 S807	F633-Y809 HydrophobicContact CE2-CD1 4.31Å; R640-Y809 PolarHBondContact NH2-O 3.04Å; F643-Y809 HydrophobicContact CE1-CD1 4.41Å; F643-Y809 HydrophobicContact CE1-CE1 4.21Å; F643-Y809 AromaticContact CE2-CD1 3.99Å; F643-Y809 HydrophobicContact CE2-CD1 3.99Å; F643-Y809 HydrophobicContact CE2-CE1 4.36Å; F643-Y809 AromaticContact CZ-CD1 3.67Å; F643-Y809 HydrophobicContact CZ-CD1 3.67Å; F643-Y809 AromaticContact CZ-CE1 3.9Å; F643-Y809 HydrophobicContact CZ-CE1 3.9Å; F643-Y809 HydrophobicContact CZ-CG 4.18Å; Y748-Y809 WeakPolarHBondContact CB-OH 3.48Å; L749-Y809 HydrophobicContact CD2-CE1 3.85Å; L749-Y809 HydrophobicContact CG-CE1 4.25Å; L752-Y809 HydrophobicContact CD1-CD1 3.57Å; L752-Y809 HydrophobicContact CD1-CE1 3.83Å; L752-Y809 HydrophobicContact CD1-CG 4.44Å; M765-Y809 HydrophobicContact CE-CD2 3.33Å; M765-Y809 HydrophobicContact CE-CE2 3.36Å; M765-Y809 HydrophobicContact CE-CG 4.06Å; M765-Y809 HydrophobicContact SD-CD2 3.69Å; M765-Y809 HydrophobicContact SD-CE2 4.32Å; M765-Y809 HydrophobicContact SD-CG 3.96Å; Y805-Y809 HydrophobicContact CE1-CE2 4.06Å; Y805-Y809 PolarHBondContact OH-OH 3.36Å; K806-Y809 PolarHBondContact O-N 2.91Å; S807-Y809 PolarHBondContact O-N 3.48Å
810	N	91.1	Very high	87	Confident	126 Å²	126	51.4 Å²	51.4	67%	0.674	25%	0.252	S	S	*	.			trans	59.4	56	-173.4	-166.4	63.3	0	0	0	113.3	S807 K808	S807-N810 PolarHBondContact O-N 3.22Å; K808-N810 VanDerWaalsContact C-N 3.26Å; K808-N810 PolarHBondContact O-N 3.04Å
811	P	92.9	Very high	88.9	Confident	14 Å²	14	48.7 Å²	48.7	9%	0.091	24%	0.236	C	C	.	.			trans	-70.5	153.2	178.1	30.4	-35.2	0	0	0	112.8	A626 I627 I628 K806 W813	A626-P811 HydrophobicContact CB-CB 3.66Å; A626-P811 HydrophobicContact CB-CG 3.89Å; I627-P811 CarbonylContact O-C 3.51Å; I627-P811 WeakPolarHBondContact O-CA 3.46Å; I628-P811 HydrophobicContact CD1-CB 3.63Å; I628-P811 HydrophobicContact CD1-CG 4.48Å; K806-P811 WeakPolarHBondContact O-CD 3.06Å; P811-W813 HydrophobicContact CG-CD2 4.23Å; P811-W813 HydrophobicContact CG-CH2 4.34Å; P811-W813 HydrophobicContact CG-CZ2 3.68Å
812	N	93.5	Very high	89.5	Confident	110 Å²	110	53.1 Å²	53.1	59%	0.588	24%	0.242	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-76.3	127.2	154.3	-169.8	11	0	0	0	108.7	I627	I627-N812 PolarHBondContact N-O 3.09Å; I627-N812 PolarHBondContact O-N 3.4Å
813	W	91.3	Very high	89.4	Confident	54 Å²	54	55.7 Å²	55.7	21%	0.205	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	113.5	-176	-70.9	102.9	0	0	0	110.4	E624 E625 A626 A768 R803 K806 P811	E624-W813 HydrophobicContact CB-CB 4.22Å; E624-W813 HydrophobicContact CB-CD2 4.42Å; E624-W813 HydrophobicContact CB-CE3 3.67Å; E624-W813 HydrophobicContact CB-CZ3 4.43Å; E625-W813 WeakPolarHBondContact O-CA 3.5Å; A626-W813 HydrophobicContact CB-CE3 4.13Å; A626-W813 HydrophobicContact CB-CH2 3.95Å; A626-W813 HydrophobicContact CB-CZ3 3.68Å; A768-W813 HydrophobicContact CB-CH2 4.06Å; A768-W813 HydrophobicContact CB-CZ3 3.81Å; R803-W813 HydrophobicContact CG-CH2 3.79Å; R803-W813 HydrophobicContact CG-CZ2 3.91Å; K806-W813 HydrophobicContact CB-CH2 3.83Å; K806-W813 HydrophobicContact CB-CZ2 4.36Å; P811-W813 HydrophobicContact CG-CD2 4.23Å; P811-W813 HydrophobicContact CG-CH2 4.34Å; P811-W813 HydrophobicContact CG-CZ2 3.68Å
814	E	92.1	Very high	89.3	Confident	41 Å²	41	52.8 Å²	52.8	19%	0.192	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	129.4	177.3	-66.6	-176	-175.8	0	0	111	E624 E625 I627 R816	E624-E814 CarbonylContact C-O 3.32Å; E624-E814 WeakPolarHBondContact CA-O 3.17Å; E625-E814 PolarHBondContact N-O 3.12Å; E625-E814 PolarHBondContact O-N 3.48Å; I627-E814 HydrophobicContact CG1-CG 3.97Å; E814-R816 IonicContact OE2-CZ 3.36Å; E814-R816 IonicContact OE2-NH1 3.35Å; E814-R816 IonicContact OE2-NH2 3.59Å; E814-R816 PolarHBondContact OE2-NH2 3.3Å
815	P	90.9	Very high	89.2	Confident	21 Å²	21	43.9 Å²	43.9	14%	0.136	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	147.8	-175.1	33.1	-37.4	0	0	0	113	D606 K621 F817	D606-P815 HydrophobicContact CB-CG 4.27Å; D606-P815 VanDerWaalsContact OD2-CG 3.28Å; D606-P815 WeakPolarHBondContact OD2-CG 3.29Å; K621-P815 HydrophobicContact CD-CB 4.35Å; P815-F817 HydrophobicContact CB-CE2 3.58Å; P815-F817 HydrophobicContact CB-CZ 3.82Å; P815-F817 HydrophobicContact CG-CE2 3.82Å; P815-F817 HydrophobicContact CG-CZ 4.22Å
816	R	91.6	Very high	89.1	Confident	4 Å²	4	41.9 Å²	41.9	2%	0.015	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	138.3	172.3	-63.3	-64.1	175.3	-97.1	-1.4	110.9	Y537 V604 L622 G623 E625 M767 E814	Y537-R816 VanDerWaalsContact CD2-NH2 3.34Å; V604-R816 CarbonylContact O-C 3.44Å; V604-R816 VanDerWaalsContact O-CA 3.32Å; V604-R816 WeakPolarHBondContact O-CA 3.26Å; L622-R816 PolarHBondContact N-O 3.37Å; G623-R816 PolarHBondContact N-O 3.31Å; G623-R816 PolarHBondContact O-N 3.09Å; E625-R816 VanDerWaalsContact CD-NH2 3.33Å; E625-R816 HydrophobicContact CG-CG 3.99Å; E625-R816 WeakPolarHBondContact OE1-CD 3.31Å; E625-R816 IonicContact OE1-CZ 2.79Å; E625-R816 IonicContact OE1-NE 3.77Å; E625-R816 PolarHBondContact OE1-NE 3.37Å; E625-R816 IonicContact OE1-NH2 2.87Å; E625-R816 IonicContact OE2-CZ 2.83Å; E625-R816 IonicContact OE2-NE 2.83Å; E625-R816 PolarHBondContact OE2-NE 2.66Å; E625-R816 IonicContact OE2-NH2 3.02Å; E625-R816 PolarHBondContact OE2-NH2 3.37Å; M767-R816 HydrophobicContact SD-CB 4.2Å; E814-R816 IonicContact OE2-CZ 3.36Å; E814-R816 IonicContact OE2-NH1 3.35Å; E814-R816 IonicContact OE2-NH2 3.59Å; E814-R816 PolarHBondContact OE2-NH2 3.3Å
817	F	91.7	Very high	88.7	Confident	24 Å²	24	46.9 Å²	46.9	11%	0.105	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	153.5	-172.6	-59.2	-96.4	0	0	0	112.7	Q603 V604 D606 M609 F619 F620 K621 L622 P815	Q603-F817 PolarHBondContact N-O 2.89Å; Q603-F817 VanDerWaalsContact N-O 3.07Å; V604-F817 HydrophobicContact CG2-CB 3.8Å; V604-F817 PolarHBondContact N-O 3.36Å; V604-F817 PolarHBondContact O-N 3.32Å; D606-F817 HydrophobicContact CB-CE2 3.85Å; M609-F817 HydrophobicContact CE-CD1 3.66Å; M609-F817 HydrophobicContact CE-CD2 3.61Å; M609-F817 HydrophobicContact CE-CE1 3.41Å; M609-F817 VanDerWaalsContact CE-CE1 3.41Å; M609-F817 HydrophobicContact CE-CE2 3.37Å; M609-F817 HydrophobicContact CE-CG 3.77Å; M609-F817 HydrophobicContact CE-CZ 3.26Å; F619-F817 HydrophobicContact CB-CD1 4.19Å; F620-F817 CarbonylContact O-C 3.58Å; F620-F817 WeakPolarHBondContact O-CA 3.44Å; K621-F817 HydrophobicContact CB-CD1 3.86Å; K621-F817 HydrophobicContact CB-CE1 3.67Å; K621-F817 HydrophobicContact CB-CZ 4.49Å; K621-F817 HydrophobicContact CD-CE1 4.24Å; K621-F817 HydrophobicContact CD-CZ 4.32Å; K621-F817 HydrophobicContact CG-CD1 4.24Å; K621-F817 HydrophobicContact CG-CE1 3.84Å; K621-F817 HydrophobicContact CG-CZ 4.19Å; L622-F817 VanDerWaalsContact CD1-C 3.44Å; L622-F817 WeakPolarHBondContact CD1-O 3.1Å; P815-F817 HydrophobicContact CB-CE2 3.58Å; P815-F817 HydrophobicContact CB-CZ 3.82Å; P815-F817 HydrophobicContact CG-CE2 3.82Å; P815-F817 HydrophobicContact CG-CZ 4.22Å
818	L	93	Very high	88.4	Confident	0 Å²	0	46 Å²	46	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	125.4	160.4	-173.4	82.1	0	0	0	107.5	I600 F601 Y602 F619 F620 L622 Y820 L826 L830 V833	I600-L818 HydrophobicContact CG2-CD1 3.61Å; I600-L818 HydrophobicContact CG2-CG 4.21Å; F601-L818 CarbonylContact O-C 3.58Å; F601-L818 WeakPolarHBondContact O-CA 3.29Å; Y602-L818 HydrophobicContact CD2-CD1 3.93Å; F619-L818 CarbonylContact C-O 3.58Å; F619-L818 WeakPolarHBondContact CA-O 3.2Å; F620-L818 HydrophobicContact CB-CB 4.34Å; F620-L818 HydrophobicContact CD1-CB 4.28Å; F620-L818 PolarHBondContact N-O 3.38Å; F620-L818 PolarHBondContact O-N 2.91Å; L622-L818 HydrophobicContact CD1-CB 3.92Å; L622-L818 HydrophobicContact CD2-CB 3.85Å; L622-L818 HydrophobicContact CG-CB 3.8Å; L818-Y820 HydrophobicContact CD2-CD1 4.09Å; L818-Y820 HydrophobicContact CG-CD1 4.41Å; L818-L826 HydrophobicContact CD2-CD1 3.66Å; L818-L830 HydrophobicContact CD2-CD2 3.87Å; L818-L830 HydrophobicContact CD2-CG 4.06Å; L818-V833 HydrophobicContact CD1-CG2 3.97Å
819	V	95.2	Very high	88.4	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	126.1	173.7	179.5	0	0	0	0	108.7	I600 F601 V604 Y612 N617 Q618 F619	I600-V819 CarbonylContact C-O 3.59Å; I600-V819 WeakPolarHBondContact CA-O 3.28Å; F601-V819 HydrophobicContact CB-CB 3.98Å; F601-V819 HydrophobicContact CD2-CB 3.99Å; F601-V819 HydrophobicContact CD2-CG1 3.99Å; F601-V819 HydrophobicContact CG-CB 4.35Å; F601-V819 PolarHBondContact N-O 3.28Å; F601-V819 PolarHBondContact O-N 2.84Å; V604-V819 HydrophobicContact CG1-CG2 4.42Å; V604-V819 HydrophobicContact CG2-CG2 3.4Å; V604-V819 VanDerWaalsContact CG2-CG2 3.4Å; Y612-V819 HydrophobicContact CD1-CG1 4.12Å; Y612-V819 HydrophobicContact CD2-CG2 4.17Å; Y612-V819 HydrophobicContact CG-CG1 4.03Å; Y612-V819 HydrophobicContact CG-CG2 4.25Å; N617-V819 HydrophobicContact CB-CG1 3.35Å; Q618-V819 WeakPolarHBondContact O-CA 3.47Å; F619-V819 HydrophobicContact CD1-CG2 3.55Å; F619-V819 HydrophobicContact CE1-CG1 4.5Å; F619-V819 HydrophobicContact CE1-CG2 3.67Å
820	Y	92.3	Very high	88.1	Confident	14 Å²	14	43.4 Å²	43.4	6%	0.055	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	155.2	-179	64.4	-77.5	0	0	0	110.4	N617 Q618 F620 L818 N824 L826	N617-Y820 CarbonylContact C-O 3.6Å; N617-Y820 WeakPolarHBondContact CA-O 3.19Å; Q618-Y820 HydrophobicContact CB-CE1 4.13Å; Q618-Y820 HydrophobicContact CB-CE2 4.28Å; Q618-Y820 PolarHBondContact N-O 3.3Å; Q618-Y820 PolarHBondContact O-N 3.48Å; F620-Y820 HydrophobicContact CB-CE1 3.98Å; L818-Y820 HydrophobicContact CD2-CD1 4.09Å; L818-Y820 HydrophobicContact CG-CD1 4.41Å; Y820-N824 HydrophobicContact CD2-CB 4.28Å; Y820-L826 HydrophobicContact CD1-CD1 4.25Å; Y820-L826 HydrophobicContact CE1-CD1 3.71Å; Y820-L826 HydrophobicContact CE2-CB 4.32Å
821	R	88.9	Confident	87.9	Confident	82 Å²	82	38.7 Å²	38.7	31%	0.309	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	141.2	178.3	-64.7	-169.7	66.6	175	5.2	111.4	Y589 D823 N824	Y589-R821 HydrophobicContact CE1-CG 4.48Å; R821-D823 PolarHBondContact O-N 3.32Å; R821-N824 WeakPolarHBondContact O-CB 3.31Å; R821-N824 PolarHBondContact O-N 3.5Å
822	K	80.4	Confident	87.7	Confident	138 Å²	138	39.7 Å²	39.7	60%	0.6	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-31.1	178.3	-176.7	171.4	-178.8	178.7	0	115.2	G616 Q618 N824	G616-K822 PolarHBondContact O-N 3.4Å; Q618-K822 HydrophobicContact CG-CB 3.91Å; Q618-K822 HydrophobicContact CG-CG 4.21Å; K822-N824 VanDerWaalsContact C-N 3.3Å
823	D	76.6	Confident	87.5	Confident	100 Å²	100	34.6 Å²	34.6	54%	0.535	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-9	-179.9	-66.3	-23.8	0	0	0	114.1	R447 R821	R447-D823 PolarHBondContact NH1-O 2.96Å; R821-D823 PolarHBondContact O-N 3.32Å
824	N	79	Confident	87.2	Confident	3 Å²	3	33.5 Å²	33.5	2%	0.016	16%	0.157	C	C	.	.	S	Bend	trans	-91.1	146.9	179.5	-67.9	-3	0	0	0	110	R447 D598 Y820 R821 K822	R447-N824 PolarHBondContact NE-OD1 2.67Å; R447-N824 PolarHBondContact NH2-OD1 2.98Å; D598-N824 WeakPolarHBondContact CB-ND2 3.39Å; D598-N824 PolarHBondContact OD1-ND2 2.81Å; D598-N824 PolarHBondContact OD1-OD1 3.31Å; Y820-N824 HydrophobicContact CD2-CB 4.28Å; R821-N824 WeakPolarHBondContact O-CB 3.31Å; R821-N824 PolarHBondContact O-N 3.5Å; K822-N824 VanDerWaalsContact C-N 3.3Å
825	S	82.4	Confident	87	Confident	28 Å²	28	38.7 Å²	38.7	20%	0.196	18%	0.175	C	C	.	.			trans	-78	136.1	172.7	-172.6	0	0	0	0	109.8	W827 E828 S829	S825-W827 PolarHBondContact O-N 3.06Å; S825-W827 PolarHBondContact OG-NE1 3.36Å; S825-E828 PolarHBondContact O-N 3.04Å; S825-S829 PolarHBondContact O-N 3Å; S825-S829 PolarHBondContact O-OG 3.19Å
826	L	85.2	Confident	86.9	Confident	2 Å²	2	37.7 Å²	37.7	1%	0.01	17%	0.168	C	C	.	.	H	α-helix	trans	-58	-46.8	177.8	174.2	59.3	0	0	0	111.5	F620 A786 L818 Y820 E828 S829 L830	F620-L826 HydrophobicContact CB-CD1 3.74Å; F620-L826 HydrophobicContact CB-CD2 4.43Å; F620-L826 HydrophobicContact CD1-CD1 3.92Å; F620-L826 HydrophobicContact CD2-CD1 4.07Å; F620-L826 HydrophobicContact CD2-CD2 3.4Å; F620-L826 HydrophobicContact CD2-CG 4.37Å; F620-L826 HydrophobicContact CE2-CD2 3.65Å; F620-L826 HydrophobicContact CG-CD1 3.62Å; F620-L826 HydrophobicContact CG-CD2 3.88Å; F620-L826 HydrophobicContact CG-CG 4.39Å; F620-L826 HydrophobicContact CZ-CD2 4.34Å; A786-L826 HydrophobicContact CB-CD2 3.51Å; A786-L826 HydrophobicContact CB-CG 3.96Å; L818-L826 HydrophobicContact CD2-CD1 3.66Å; Y820-L826 HydrophobicContact CD1-CD1 4.25Å; Y820-L826 HydrophobicContact CE1-CD1 3.71Å; Y820-L826 HydrophobicContact CE2-CB 4.32Å; L826-E828 VanDerWaalsContact C-N 3.35Å; L826-E828 PolarHBondContact O-N 2.6Å; L826-S829 WeakPolarHBondContact O-CB 3.49Å; L826-S829 PolarHBondContact O-N 2.99Å; L826-L830 HydrophobicContact CD1-CD1 4.13Å; L826-L830 HydrophobicContact CD1-CG 4.24Å; L826-L830 HydrophobicContact CG-CD1 4.14Å; L826-L830 WeakPolarHBondContact O-CG 3.33Å; L826-L830 PolarHBondContact O-N 3.04Å
827	W	82.8	Confident	86.8	Confident	112 Å²	112	38.4 Å²	38.4	42%	0.424	17%	0.172	S	C	.	.	H	α-helix	trans	-66.7	-34.8	-179.6	75.7	-100.6	0	0	0	112.5	V789 S825 S829 S831	V789-W827 HydrophobicContact CG2-CB 4.3Å; S825-W827 PolarHBondContact O-N 3.06Å; S825-W827 PolarHBondContact OG-NE1 3.36Å; W827-S829 VanDerWaalsContact C-N 3.34Å; W827-S831 VanDerWaalsContact O-CB 3.32Å; W827-S831 WeakPolarHBondContact O-CB 3.27Å; W827-S831 PolarHBondContact O-N 3.25Å; W827-S831 PolarHBondContact O-OG 3.27Å
828	E	84.3	Confident	86.3	Confident	32 Å²	32	41.6 Å²	41.6	15%	0.15	18%	0.183	C	C	.	.	H	α-helix	trans	-65.9	-41.7	174.7	-70.3	177.8	166.8	0	0	109.9	S825 L826 S831 K832	S825-E828 PolarHBondContact O-N 3.04Å; L826-E828 VanDerWaalsContact C-N 3.35Å; L826-E828 PolarHBondContact O-N 2.6Å; E828-S831 PolarHBondContact O-N 3.18Å; E828-K832 VanDerWaalsContact O-CG 3.3Å; E828-K832 WeakPolarHBondContact O-CG 3.42Å; E828-K832 PolarHBondContact O-N 3.38Å
829	S	89.3	Confident	85.4	Confident	2 Å²	2	46.1 Å²	46.1	1%	0.014	20%	0.204	C	C	.	.	H	α-helix	trans	-64.2	-47.8	178.3	-53.4	0	0	0	0	110.9	S825 L826 W827 S831 K832 V833	S825-S829 PolarHBondContact O-N 3Å; S825-S829 PolarHBondContact O-OG 3.19Å; L826-S829 WeakPolarHBondContact O-CB 3.49Å; L826-S829 PolarHBondContact O-N 2.99Å; W827-S829 VanDerWaalsContact C-N 3.34Å; S829-S831 VanDerWaalsContact C-N 3.35Å; S829-S831 PolarHBondContact O-N 2.87Å; S829-K832 WeakPolarHBondContact O-CB 3.29Å; S829-K832 PolarHBondContact O-N 2.94Å; S829-V833 WeakPolarHBondContact O-CG2 3.44Å; S829-V833 PolarHBondContact O-N 3.01Å
830	L	87	Confident	84	Confident	5 Å²	5	53.4 Å²	53.4	3%	0.026	24%	0.236	C	C	.	.	H	α-helix	trans	-58.9	-44.1	173.5	-73.3	170	0	0	0	112	L622 A786 F790 L818 L826 K832 V833 M834	L622-L830 HydrophobicContact CD2-CD2 3.96Å; A786-L830 HydrophobicContact CB-CD1 3.81Å; F790-L830 HydrophobicContact CD2-CD1 4.36Å; F790-L830 HydrophobicContact CE2-CD1 3.61Å; F790-L830 HydrophobicContact CE2-CD2 3.92Å; F790-L830 HydrophobicContact CE2-CG 4.44Å; F790-L830 HydrophobicContact CZ-CD1 4.15Å; F790-L830 HydrophobicContact CZ-CD2 3.58Å; L818-L830 HydrophobicContact CD2-CD2 3.87Å; L818-L830 HydrophobicContact CD2-CG 4.06Å; L826-L830 HydrophobicContact CD1-CD1 4.13Å; L826-L830 HydrophobicContact CD1-CG 4.24Å; L826-L830 HydrophobicContact CG-CD1 4.14Å; L826-L830 WeakPolarHBondContact O-CG 3.33Å; L826-L830 PolarHBondContact O-N 3.04Å; L830-K832 VanDerWaalsContact C-N 3.29Å; L830-K832 PolarHBondContact O-N 3.38Å; L830-V833 PolarHBondContact O-N 2.86Å; L830-M834 HydrophobicContact CB-CE 4.44Å; L830-M834 WeakPolarHBondContact O-CG 3.25Å; L830-M834 PolarHBondContact O-N 3.37Å
831	S	84.9	Confident	83.6	Confident	26 Å²	26	55.4 Å²	55.4	18%	0.182	25%	0.245	C	C	.	.	H	α-helix	trans	-61	-38.1	177.9	-60.2	0	0	0	0	112.4	W827 E828 S829 R835	W827-S831 VanDerWaalsContact O-CB 3.32Å; W827-S831 WeakPolarHBondContact O-CB 3.27Å; W827-S831 PolarHBondContact O-N 3.25Å; W827-S831 PolarHBondContact O-OG 3.27Å; E828-S831 PolarHBondContact O-N 3.18Å; S829-S831 VanDerWaalsContact C-N 3.35Å; S829-S831 PolarHBondContact O-N 2.87Å; S831-R835 WeakPolarHBondContact O-CG 3.21Å; S831-R835 PolarHBondContact O-N 2.97Å
832	K	88.8	Confident	83.3	Confident	35 Å²	35	53.9 Å²	53.9	15%	0.152	24%	0.242	C	C	.	.	H	α-helix	trans	-65.7	-47.5	174.7	-72	172.7	175.9	-158.3	0	111.2	A565 D598 I600 E828 S829 L830 M834 R835 V836	A565-K832 HydrophobicContact CB-CG 4.27Å; D598-K832 IonicContact OD2-NZ 2.65Å; D598-K832 PolarHBondContact OD2-NZ 3.33Å; I600-K832 HydrophobicContact CD1-CB 4.15Å; I600-K832 HydrophobicContact CD1-CD 4.04Å; E828-K832 VanDerWaalsContact O-CG 3.3Å; E828-K832 WeakPolarHBondContact O-CG 3.42Å; E828-K832 PolarHBondContact O-N 3.38Å; S829-K832 WeakPolarHBondContact O-CB 3.29Å; S829-K832 PolarHBondContact O-N 2.94Å; L830-K832 VanDerWaalsContact C-N 3.29Å; L830-K832 PolarHBondContact O-N 3.38Å; K832-M834 PolarHBondContact O-N 2.99Å; K832-R835 PolarHBondContact O-N 3.27Å; K832-V836 WeakPolarHBondContact O-CG2 3.39Å; K832-V836 PolarHBondContact O-N 3.39Å; K832-V836 VanDerWaalsContact O-N 3.12Å
833	V	90	Very high	83.5	Confident	4 Å²	4	49.3 Å²	49.3	2%	0.024	22%	0.222	C	C	.	.	H	α-helix	trans	-58.8	-45.6	176.3	176.3	0	0	0	0	111.3	V569 I600 Y602 L818 S829 L830 R835 V836 I837	V569-V833 HydrophobicContact CG1-CG2 3.84Å; V569-V833 HydrophobicContact CG2-CG2 4.41Å; I600-V833 HydrophobicContact CG2-CG2 3.83Å; Y602-V833 HydrophobicContact CD1-CG1 4.15Å; Y602-V833 HydrophobicContact CD2-CG1 3.59Å; Y602-V833 HydrophobicContact CE1-CG1 4.35Å; Y602-V833 HydrophobicContact CE2-CG1 3.81Å; Y602-V833 HydrophobicContact CG-CG1 3.78Å; L818-V833 HydrophobicContact CD1-CG2 3.97Å; S829-V833 WeakPolarHBondContact O-CG2 3.44Å; S829-V833 PolarHBondContact O-N 3.01Å; L830-V833 PolarHBondContact O-N 2.86Å; V833-R835 VanDerWaalsContact C-N 3.28Å; V833-R835 PolarHBondContact O-N 3.43Å; V833-V836 WeakPolarHBondContact O-CA 3.45Å; V833-V836 VanDerWaalsContact O-CB 3.31Å; V833-V836 WeakPolarHBondContact O-CB 3.21Å; V833-V836 PolarHBondContact O-N 2.82Å; V833-I837 HydrophobicContact CG1-CD1 3.86Å; V833-I837 HydrophobicContact CG1-CG1 4.43Å; V833-I837 WeakPolarHBondContact O-CG1 3.46Å; V833-I837 PolarHBondContact O-N 3.35Å
834	M	85.8	Confident	83.9	Confident	31 Å²	31	46.3 Å²	46.3	15%	0.153	20%	0.203	C	C	.	.	H	α-helix	trans	-62	-34.5	178.8	-70.8	-177.4	-64.1	0	0	112.9	V789 F793 L830 K832 V836 I837 R838	V789-M834 HydrophobicContact CG1-CE 3.59Å; V789-M834 HydrophobicContact CG1-SD 4.47Å; F793-M834 HydrophobicContact CB-SD 3.96Å; F793-M834 HydrophobicContact CD1-CE 4.22Å; F793-M834 HydrophobicContact CD1-SD 3.45Å; F793-M834 WeakPolarHBondContact CD1-SD 3.43Å; F793-M834 HydrophobicContact CD2-CE 3.59Å; F793-M834 HydrophobicContact CD2-SD 3.51Å; F793-M834 VanDerWaalsContact CD2-SD 3.51Å; F793-M834 HydrophobicContact CE1-CE 3.98Å; F793-M834 HydrophobicContact CE1-SD 3.74Å; F793-M834 HydrophobicContact CE2-CE 3.31Å; F793-M834 HydrophobicContact CE2-SD 3.8Å; F793-M834 HydrophobicContact CG-CE 4.06Å; F793-M834 HydrophobicContact CG-SD 3.35Å; F793-M834 WeakPolarHBondContact CG-SD 3.24Å; F793-M834 HydrophobicContact CZ-CE 3.53Å; F793-M834 HydrophobicContact CZ-SD 3.91Å; L830-M834 HydrophobicContact CB-CE 4.44Å; L830-M834 WeakPolarHBondContact O-CG 3.25Å; L830-M834 PolarHBondContact O-N 3.37Å; K832-M834 PolarHBondContact O-N 2.99Å; M834-V836 VanDerWaalsContact C-N 3.32Å; M834-I837 PolarHBondContact O-N 2.93Å; M834-R838 WeakPolarHBondContact O-CB 3.16Å; M834-R838 WeakPolarHBondContact O-CG 3.41Å; M834-R838 PolarHBondContact O-N 3.17Å
835	R	87.4	Confident	84.2	Confident	150 Å²	150	49 Å²	49	57%	0.566	22%	0.215	S	C	*	.	H	α-helix	trans	-70.2	-27.7	173.1	-72.1	179.9	-167.9	-174.1	2.6	113.2	S831 K832 V833 H839	S831-R835 WeakPolarHBondContact O-CG 3.21Å; S831-R835 PolarHBondContact O-N 2.97Å; K832-R835 PolarHBondContact O-N 3.27Å; V833-R835 VanDerWaalsContact C-N 3.28Å; V833-R835 PolarHBondContact O-N 3.43Å; R835-H839 PolarHBondContact O-N 2.9Å
836	V	89.2	Confident	84.3	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-69.5	-45	172.8	176.6	0	0	0	0	109.8	R562 K564 V569 F688 K832 V833 M834	R562-V836 HydrophobicContact CB-CG1 3.94Å; R562-V836 HydrophobicContact CG-CG1 4.04Å; R562-V836 PolarHBondContact NH1-O 3.2Å; K564-V836 HydrophobicContact CB-CG2 3.52Å; K564-V836 HydrophobicContact CG-CG2 4.31Å; V569-V836 HydrophobicContact CB-CG2 4.21Å; V569-V836 HydrophobicContact CG2-CG2 3.78Å; F688-V836 HydrophobicContact CB-CG1 3.68Å; F688-V836 HydrophobicContact CD1-CB 4.48Å; F688-V836 HydrophobicContact CD1-CG1 3.61Å; F688-V836 HydrophobicContact CD2-CG1 3.67Å; F688-V836 HydrophobicContact CE1-CG1 4.12Å; F688-V836 HydrophobicContact CE2-CG1 4.18Å; F688-V836 HydrophobicContact CG-CG1 3.36Å; F688-V836 HydrophobicContact CZ-CG1 4.38Å; K832-V836 WeakPolarHBondContact O-CG2 3.39Å; K832-V836 PolarHBondContact O-N 3.39Å; K832-V836 VanDerWaalsContact O-N 3.12Å; V833-V836 WeakPolarHBondContact O-CA 3.45Å; V833-V836 VanDerWaalsContact O-CB 3.31Å; V833-V836 WeakPolarHBondContact O-CB 3.21Å; V833-V836 PolarHBondContact O-N 2.82Å; M834-V836 VanDerWaalsContact C-N 3.32Å
837	I	87.9	Confident	84.3	Confident	19 Å²	19	53.9 Å²	53.9	10%	0.097	23%	0.231	C	C	.	.	H	α-helix	trans	-67.7	-43.4	-179.3	-63.8	169.3	0	0	0	111.8	Y602 M686 H687 F688 V833 M834	Y602-I837 HydrophobicContact CE1-CD1 3.94Å; M686-I837 HydrophobicContact CB-CG2 4.02Å; M686-I837 HydrophobicContact CG-CG2 4.39Å; M686-I837 HydrophobicContact SD-CG2 4.01Å; H687-I837 PolarHBondContact N-O 3.44Å; H687-I837 WeakPolarHBondContact O-CA 3.13Å; F688-I837 HydrophobicContact CD1-CG1 4.24Å; V833-I837 HydrophobicContact CG1-CD1 3.86Å; V833-I837 HydrophobicContact CG1-CG1 4.43Å; V833-I837 WeakPolarHBondContact O-CG1 3.46Å; V833-I837 PolarHBondContact O-N 3.35Å; M834-I837 PolarHBondContact O-N 2.93Å
838	R	81.6	Confident	84.4	Confident	91 Å²	91	49.4 Å²	49.4	34%	0.343	22%	0.216	S	C	.	.	H	α-helix	trans	-80.7	-19.5	-173.1	-75.4	-173	175.9	-169.3	-1.2	116.2	F793 M834	F793-R838 VanDerWaalsContact CD1-NH2 3.29Å; M834-R838 WeakPolarHBondContact O-CB 3.16Å; M834-R838 WeakPolarHBondContact O-CG 3.41Å; M834-R838 PolarHBondContact O-N 3.17Å
839	H	73.9	Confident	84.4	Confident	95 Å²	95	50.8 Å²	50.8	44%	0.44	22%	0.222	S	C	.	.			trans	-136.2	133.4	-171	-65.7	-59.2	0	0	0	109.6	R562 K564 R835	R562-H839 PolarHBondContact NH2-O 3.37Å; K564-H839 VanDerWaalsContact NZ-C 3.28Å; K564-H839 PolarHBondContact NZ-O 3.36Å; R835-H839 PolarHBondContact O-N 2.9Å
840	K	67	Low	83.9	Confident	152 Å²	152	55.3 Å²	55.3	66%	0.661	24%	0.24	S	C	*	.			trans	-64.6	0	166.9	-150	160.4	-173.5	162.8	0	112.5	R562 K564 E692	R562-K840 PolarHBondContact NH2-OXT 3.38Å; K564-K840 VanDerWaalsContact NZ-C 3.29Å; K564-K840 PolarHBondContact NZ-O 3.5Å; E692-K840 IonicContact OE1-NZ 3.79Å; E692-K840 PolarHBondContact OE1-NZ 3.27Å; E692-K840 IonicContact OE2-NZ 2.72Å; E692-K840 PolarHBondContact OE2-NZ 2.9Å

Retrieved 840 of 840 residues in 4503.7 ms (Link to these results)

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