A0A096MPS1_PAPAN Loading...

Elongator complex protein 3

Catalytic tRNA acetyltransferase subunit of the elongator complex which is required for multiple tRNA modifications, including mcm5U (5-methoxycarbonylmethyl uridine), mcm5s2U (5-methoxycarbonylmethyl-2-thiouridine), and ncm5U (5-carbamoylmethyl uridine). In the elongator complex, acts as a tRNA uridine(34) acetyltransferase by mediating formation of carboxymethyluridine in the wobble base at position 34 in tRNAs. May also act as a protein lysine acetyltransferase by mediating acetylation of target proteins; such activity is however unclear in vivo and recent evidences suggest that ELP3 primarily acts as a tRNA acetyltransferase. Involved in neurogenesis: regulates the migration and branching of projection neurons in the developing cerebral cortex, through a process depending on alpha-tubulin acetylation. Required for acetylation of GJA1 in the developing cerebral cortex. Catalytic tRNA acetyltransferase subunit of the elongator complex, which is required for multiple tRNA modifications, including mcm5U (5-methoxycarbonylmethyl uridine), mcm5s2U (5-methoxycarbonylmethyl-2-thiouridine), and ncm5U (5-carbamoylmethyl uridine). In the elongator complex, acts as a tRNA uridine(34) acetyltransferase by mediating formation of carboxymethyluridine in the wobble base at position 34 in tRNAs.

AlphaFold DB (A0A0D9RTR8), UniProt , Accession A0A096MPS1, Species PAPAN (Papio anubis, Olive baboon), Gene ELP3, Length 547 aa.

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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	36.6	Very low	59.4	Low	244 Å²	244	141.5 Å²	141.5	100%	1.202	70%	0.696	S	S	*	*				0	117.3	0	-80.3	173.8	165.5	0	0	108.6	Q3	M1-Q3 PolarHBondContact O-N 3.31Å
2	R	41.7	Very low	61.5	Low	251 Å²	251	135.3 Å²	135.3	95%	0.947	69%	0.685	S	S	*	*			trans	-65.6	125.1	179.6	-82.7	176.7	166.2	175.4	-4.5	109.9	K4	R2-K4 PolarHBondContact O-N 3.03Å
3	Q	44.7	Very low	63.4	Low	195 Å²	195	130.7 Å²	130.7	91%	0.911	66%	0.659	S	S	*	*			trans	-63.8	114.7	168.4	-83.8	176	-9.1	0	0	108.8	M1	M1-Q3 PolarHBondContact O-N 3.31Å
4	K	48.2	Very low	65.2	Low	130 Å²	130	123.5 Å²	123.5	57%	0.565	62%	0.623	S	S	*	*			trans	-61.5	138.8	172.7	-75.6	-177.4	175.5	-178.7	0	109.9	R2 D8	R2-K4 PolarHBondContact O-N 3.03Å; K4-D8 HydrophobicContact CB-CB 4.38Å; K4-D8 HydrophobicContact CD-CB 4.42Å
5	R	55.7	Low	66.8	Low	213 Å²	213	118.3 Å²	118.3	80%	0.804	60%	0.597	S	S	*	*			trans	-69.2	151.6	174.3	-75	179.6	174.2	178.8	-1.9	109.4	G7 D8	R5-G7 PolarHBondContact O-N 2.71Å; R5-D8 PolarHBondContact O-N 3.19Å
6	K	53.8	Low	68.2	Low	143 Å²	143	120.3 Å²	120.3	62%	0.622	61%	0.606	S	S	*	*	G	3₁₀ helix	trans	-50.2	-22.5	-176	-94.5	-175.9	174.2	-175.1	0	115.5
7	G	58	Low	69.5	Low	76 Å²	76	117.9 Å²	117.9	78%	0.784	59%	0.594	S	S	*	*	G	3₁₀ helix	trans	-80	-14.7	177.7	0	0	0	0	0	115.6	R5	R5-G7 PolarHBondContact O-N 2.71Å
8	D	65.5	Low	70.7	Confident	111 Å²	111	111.3 Å²	111.3	59%	0.594	56%	0.561	S	S	*	*	G	3₁₀ helix	trans	-103.2	10	-176.2	-65	-33.3	0	0	0	113.4	K4 R5	K4-D8 HydrophobicContact CB-CB 4.38Å; K4-D8 HydrophobicContact CD-CB 4.42Å; R5-D8 PolarHBondContact O-N 3.19Å
9	L	79.6	Confident	71.8	Confident	40 Å²	40	106.4 Å²	106.4	21%	0.209	54%	0.536	C	S	.	.			trans	-91.7	131.7	-178.6	-67.6	168.1	0	0	0	110.1	E13 L14 L17	L9-E13 HydrophobicContact CB-CB 4.31Å; L9-E13 HydrophobicContact CD2-CB 4.09Å; L9-L14 HydrophobicContact CB-CD2 3.99Å; L9-L14 HydrophobicContact CB-CG 3.98Å; L9-L14 HydrophobicContact CD1-CD2 3.96Å; L9-L17 HydrophobicContact CD1-CD1 3.77Å
10	S	85.8	Confident	72.8	Confident	49 Å²	49	103.1 Å²	103.1	34%	0.343	53%	0.531	S	S	.	.			trans	-63.9	156.6	172.9	65.1	0	0	0	0	111.3	A12 E13 L14	S10-A12 PolarHBondContact O-N 3.08Å; S10-A12 VanDerWaalsContact O-N 3.14Å; S10-E13 WeakPolarHBondContact CB-OE2 3.23Å; S10-E13 PolarHBondContact N-OE2 3.22Å; S10-E13 PolarHBondContact O-N 3.05Å; S10-E13 VanDerWaalsContact OG-CG 3.27Å; S10-E13 WeakPolarHBondContact OG-CG 3.37Å; S10-E13 PolarHBondContact OG-N 3.09Å; S10-E13 PolarHBondContact OG-OE2 3.46Å; S10-L14 PolarHBondContact O-N 3.03Å
11	P	83.4	Confident	73.7	Confident	104 Å²	104	99.3 Å²	99.3	68%	0.675	51%	0.512	S	S	*	.	H	α-helix	trans	-54.6	-32.9	174.8	-27.7	35.4	0	0	0	113.8	M15	P11-M15 WeakPolarHBondContact O-CB 3.39Å; P11-M15 PolarHBondContact O-N 2.89Å
12	A	84.9	Confident	76.3	Confident	68 Å²	68	87.7 Å²	87.7	56%	0.562	45%	0.454	S	S	*	.	H	α-helix	trans	-69.9	-41.4	177	0	0	0	0	0	112.4	S10 M15 M16	S10-A12 PolarHBondContact O-N 3.08Å; S10-A12 VanDerWaalsContact O-N 3.14Å; A12-M15 PolarHBondContact O-N 2.94Å; A12-M16 PolarHBondContact O-N 3.08Å
13	E	86.8	Confident	78.7	Confident	75 Å²	75	76.3 Å²	76.3	35%	0.35	41%	0.412	S	S	.	.	H	α-helix	trans	-65	-41.4	175.2	-72.5	164.6	132.7	0	0	111.1	L9 S10 M15 M16 L17	L9-E13 HydrophobicContact CB-CB 4.31Å; L9-E13 HydrophobicContact CD2-CB 4.09Å; S10-E13 WeakPolarHBondContact CB-OE2 3.23Å; S10-E13 PolarHBondContact N-OE2 3.22Å; S10-E13 PolarHBondContact O-N 3.05Å; S10-E13 VanDerWaalsContact OG-CG 3.27Å; S10-E13 WeakPolarHBondContact OG-CG 3.37Å; S10-E13 PolarHBondContact OG-N 3.09Å; S10-E13 PolarHBondContact OG-OE2 3.46Å; E13-M15 VanDerWaalsContact C-N 3.33Å; E13-M15 PolarHBondContact O-N 3.43Å; E13-M16 PolarHBondContact O-N 3.36Å; E13-L17 WeakPolarHBondContact O-CG 3.39Å; E13-L17 PolarHBondContact O-N 3.47Å
14	L	88.3	Confident	80.9	Confident	30 Å²	30	72.7 Å²	72.7	16%	0.157	39%	0.393	C	S	.	.	H	α-helix	trans	-62.5	-38.9	174	-69.1	173.4	0	0	0	112.2	L9 S10 L17 T18 Y49 L51	L9-L14 HydrophobicContact CB-CD2 3.99Å; L9-L14 HydrophobicContact CB-CG 3.98Å; L9-L14 HydrophobicContact CD1-CD2 3.96Å; S10-L14 PolarHBondContact O-N 3.03Å; L14-L17 PolarHBondContact O-N 3.36Å; L14-T18 WeakPolarHBondContact O-CB 3.42Å; L14-T18 PolarHBondContact O-N 2.96Å; L14-T18 PolarHBondContact O-OG1 3.44Å; L14-Y49 HydrophobicContact CD2-CD1 4.34Å; L14-L51 HydrophobicContact CB-CD2 4.04Å
15	M	89.3	Confident	83	Confident	46 Å²	46	69 Å²	69	23%	0.227	38%	0.378	C	S	.	.	H	α-helix	trans	-63.3	-44.1	174.1	-172.9	63.2	71	0	0	111.8	P11 A12 E13 T18 I19 L51 P55	P11-M15 WeakPolarHBondContact O-CB 3.39Å; P11-M15 PolarHBondContact O-N 2.89Å; A12-M15 PolarHBondContact O-N 2.94Å; E13-M15 VanDerWaalsContact C-N 3.33Å; E13-M15 PolarHBondContact O-N 3.43Å; M15-T18 WeakPolarHBondContact O-CB 3.24Å; M15-T18 PolarHBondContact O-N 3.09Å; M15-I19 HydrophobicContact CG-CD1 4.06Å; M15-I19 VanDerWaalsContact O-CG1 3.31Å; M15-I19 WeakPolarHBondContact O-CG1 3.36Å; M15-I19 PolarHBondContact O-N 3.38Å; M15-L51 HydrophobicContact CB-CD1 4.49Å; M15-L51 HydrophobicContact CE-CD1 3.89Å; M15-L51 HydrophobicContact CE-CD2 4.23Å; M15-L51 HydrophobicContact SD-CD1 3.9Å; M15-P55 HydrophobicContact SD-CB 3.86Å
16	M	89	Confident	84.7	Confident	150 Å²	150	59.6 Å²	59.6	74%	0.739	34%	0.344	S	S	*	.	H	α-helix	trans	-62.7	-43.2	176.3	-72.8	-129.8	-175.7	0	0	112.4	A12 E13 T18 I19 G20	A12-M16 PolarHBondContact O-N 3.08Å; E13-M16 PolarHBondContact O-N 3.36Å; M16-T18 VanDerWaalsContact C-N 3.32Å; M16-T18 PolarHBondContact O-N 2.94Å; M16-I19 PolarHBondContact O-N 3.06Å; M16-G20 PolarHBondContact O-N 3.39Å
17	L	90	Very high	86.4	Confident	79 Å²	79	53.9 Å²	53.9	41%	0.414	32%	0.32	S	S	.	.	H	α-helix	trans	-61.8	-41.2	175.2	-71.6	172	0	0	0	111.9	L9 E13 L14 G20 D21 Y49	L9-L17 HydrophobicContact CD1-CD1 3.77Å; E13-L17 WeakPolarHBondContact O-CG 3.39Å; E13-L17 PolarHBondContact O-N 3.47Å; L14-L17 PolarHBondContact O-N 3.36Å; L17-G20 PolarHBondContact O-N 2.87Å; L17-D21 WeakPolarHBondContact O-CB 3.16Å; L17-D21 PolarHBondContact O-N 3.26Å; L17-Y49 HydrophobicContact CB-CD1 4.27Å; L17-Y49 HydrophobicContact CB-CE1 3.86Å; L17-Y49 HydrophobicContact CD1-CE1 4.36Å
18	T	91.4	Very high	88	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-61.6	-46.4	176.3	-59.9	0	0	0	0	111	L14 M15 M16 G20 D21 V22 T45 A46 Y49 L51 P55	L14-T18 WeakPolarHBondContact O-CB 3.42Å; L14-T18 PolarHBondContact O-N 2.96Å; L14-T18 PolarHBondContact O-OG1 3.44Å; M15-T18 WeakPolarHBondContact O-CB 3.24Å; M15-T18 PolarHBondContact O-N 3.09Å; M16-T18 VanDerWaalsContact C-N 3.32Å; M16-T18 PolarHBondContact O-N 2.94Å; T18-G20 PolarHBondContact O-N 3.35Å; T18-D21 PolarHBondContact O-N 3.21Å; T18-V22 VanDerWaalsContact O-CG2 3.29Å; T18-V22 WeakPolarHBondContact O-CG2 3.45Å; T18-V22 PolarHBondContact O-N 3Å; T18-T45 HydrophobicContact CG2-CG2 3.89Å; T18-A46 HydrophobicContact CG2-CB 4.43Å; T18-Y49 HydrophobicContact CG2-CD2 4.49Å; T18-Y49 WeakPolarHBondContact OG1-CB 2.89Å; T18-Y49 VanDerWaalsContact OG1-CD2 3.29Å; T18-Y49 WeakPolarHBondContact OG1-CD2 3.29Å; T18-L51 HydrophobicContact CG2-CD1 3.95Å; T18-L51 WeakPolarHBondContact OG1-CD1 3.39Å; T18-P55 HydrophobicContact CG2-CG 4.19Å
19	I	91.2	Very high	89.2	Confident	17 Å²	17	49 Å²	49	9%	0.087	28%	0.275	C	S	.	.	H	α-helix	trans	-61.6	-45	177.3	-68.1	162.5	0	0	0	110.7	M15 M16 D21 V22 I23 P55 D59 A63	M15-I19 HydrophobicContact CG-CD1 4.06Å; M15-I19 VanDerWaalsContact O-CG1 3.31Å; M15-I19 WeakPolarHBondContact O-CG1 3.36Å; M15-I19 PolarHBondContact O-N 3.38Å; M16-I19 PolarHBondContact O-N 3.06Å; I19-D21 PolarHBondContact O-N 3.21Å; I19-V22 PolarHBondContact O-N 3.42Å; I19-I23 HydrophobicContact CG2-CD1 3.92Å; I19-I23 WeakPolarHBondContact O-CG1 3.41Å; I19-I23 PolarHBondContact O-N 3.41Å; I19-P55 HydrophobicContact CD1-CB 4.38Å; I19-P55 HydrophobicContact CG1-CB 3.7Å; I19-D59 HydrophobicContact CD1-CB 3.71Å; I19-A63 HydrophobicContact CG2-CB 3.5Å
20	G	91.3	Very high	89.6	Confident	41 Å²	41	50.2 Å²	50.2	42%	0.423	28%	0.279	S	S	.	.	H	α-helix	trans	-59	-43.9	177.4	0	0	0	0	0	113	M16 L17 T18 I23 K24	M16-G20 PolarHBondContact O-N 3.39Å; L17-G20 PolarHBondContact O-N 2.87Å; T18-G20 PolarHBondContact O-N 3.35Å; G20-I23 PolarHBondContact O-N 3.17Å; G20-K24 PolarHBondContact O-N 3.48Å
21	D	91.8	Very high	89.7	Confident	24 Å²	24	53.8 Å²	53.8	13%	0.128	29%	0.29	C	S	.	.	H	α-helix	trans	-69.5	-37.6	178.8	-167.6	26.6	0	0	0	112.3	L17 T18 I19 I23 K24 Q25 T45 K48 Y49	L17-D21 WeakPolarHBondContact O-CB 3.16Å; L17-D21 PolarHBondContact O-N 3.26Å; T18-D21 PolarHBondContact O-N 3.21Å; I19-D21 PolarHBondContact O-N 3.21Å; D21-I23 VanDerWaalsContact C-N 3.34Å; D21-I23 PolarHBondContact O-N 3.18Å; D21-K24 PolarHBondContact O-N 2.68Å; D21-Q25 WeakPolarHBondContact O-CG 3.43Å; D21-Q25 PolarHBondContact O-N 2.94Å; D21-Q25 PolarHBondContact O-NE2 2.91Å; D21-T45 HydrophobicContact CB-CG2 3.77Å; D21-T45 WeakPolarHBondContact OD2-CG2 3.17Å; D21-K48 IonicContact OD1-NZ 2.63Å; D21-K48 IonicContact OD2-NZ 2.71Å; D21-K48 PolarHBondContact OD2-NZ 2.89Å; D21-Y49 HydrophobicContact CB-CE2 4.04Å
22	V	92.1	Very high	90	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-60	-44.9	171.7	169.7	0	0	0	0	110.9	T18 I19 Q25 L26 L38 V41 T45 I60	T18-V22 VanDerWaalsContact O-CG2 3.29Å; T18-V22 WeakPolarHBondContact O-CG2 3.45Å; T18-V22 PolarHBondContact O-N 3Å; I19-V22 PolarHBondContact O-N 3.42Å; V22-Q25 PolarHBondContact O-N 3.46Å; V22-L26 HydrophobicContact CG1-CD1 3.91Å; V22-L26 VanDerWaalsContact O-CG 3.3Å; V22-L26 WeakPolarHBondContact O-CG 3.38Å; V22-L26 PolarHBondContact O-N 3.29Å; V22-L38 HydrophobicContact CG1-CD1 4.32Å; V22-V41 HydrophobicContact CB-CG1 4.47Å; V22-V41 HydrophobicContact CG1-CG1 4.12Å; V22-V41 HydrophobicContact CG2-CG1 4.23Å; V22-T45 HydrophobicContact CG2-CG2 3.96Å; V22-I60 HydrophobicContact CG1-CD1 4.21Å; V22-I60 HydrophobicContact CG1-CG2 4.41Å
23	I	91.6	Very high	90	Very high	11 Å²	11	54.2 Å²	54.2	6%	0.056	29%	0.29	C	S	.	.	H	α-helix	trans	-65.8	-41.3	179.4	-71.2	172.3	0	0	0	111.4	I19 G20 D21 Q25 L26 I27 I60 A63 P65	I19-I23 HydrophobicContact CG2-CD1 3.92Å; I19-I23 WeakPolarHBondContact O-CG1 3.41Å; I19-I23 PolarHBondContact O-N 3.41Å; G20-I23 PolarHBondContact O-N 3.17Å; D21-I23 VanDerWaalsContact C-N 3.34Å; D21-I23 PolarHBondContact O-N 3.18Å; I23-Q25 VanDerWaalsContact C-N 3.32Å; I23-Q25 PolarHBondContact O-N 3.4Å; I23-L26 WeakPolarHBondContact O-CB 3.41Å; I23-L26 PolarHBondContact O-N 2.91Å; I23-L26 VanDerWaalsContact O-N 3.14Å; I23-I27 HydrophobicContact CG2-CD1 3.79Å; I23-I27 HydrophobicContact CG2-CG1 4.39Å; I23-I27 WeakPolarHBondContact O-CG1 3.48Å; I23-I27 PolarHBondContact O-N 2.94Å; I23-I60 HydrophobicContact CG1-CG2 4.26Å; I23-A63 HydrophobicContact CD1-CB 3.36Å; I23-A63 WeakPolarHBondContact CD1-O 3.38Å; I23-P65 HydrophobicContact CG2-CG 4.4Å
24	K	92	Very high	90	Very high	120 Å²	120	56.7 Å²	56.7	52%	0.522	30%	0.3	S	S	.	.	H	α-helix	trans	-57.9	-47.2	176.1	-169	-175.8	-178.8	-162.6	0	111.2	G20 D21 L26 I27 E28	G20-K24 PolarHBondContact O-N 3.48Å; D21-K24 PolarHBondContact O-N 2.68Å; K24-L26 VanDerWaalsContact C-N 3.3Å; K24-L26 PolarHBondContact O-N 2.96Å; K24-I27 PolarHBondContact O-N 3.48Å; K24-E28 WeakPolarHBondContact CE-OE1 3.15Å; K24-E28 IonicContact NZ-OE1 3.55Å; K24-E28 WeakPolarHBondContact O-CG 3.4Å; K24-E28 PolarHBondContact O-N 2.86Å
25	Q	91.6	Very high	89.7	Confident	51 Å²	51	63 Å²	63	24%	0.238	33%	0.334	C	S	.	.	H	α-helix	trans	-62.6	-36	176	-70.8	173.8	58.5	0	0	112.6	D21 V22 I23 A29 V41 T45	D21-Q25 WeakPolarHBondContact O-CG 3.43Å; D21-Q25 PolarHBondContact O-N 2.94Å; D21-Q25 PolarHBondContact O-NE2 2.91Å; V22-Q25 PolarHBondContact O-N 3.46Å; I23-Q25 VanDerWaalsContact C-N 3.32Å; I23-Q25 PolarHBondContact O-N 3.4Å; Q25-A29 VanDerWaalsContact O-CB 3.24Å; Q25-A29 WeakPolarHBondContact O-CB 3.36Å; Q25-A29 PolarHBondContact O-N 2.98Å; Q25-V41 HydrophobicContact CB-CG1 4.37Å; Q25-T45 PolarHBondContact NE2-OG1 3.36Å; Q25-T45 VanDerWaalsContact NE2-OG1 3.17Å
26	L	90.9	Very high	89.5	Confident	17 Å²	17	64.1 Å²	64.1	9%	0.089	34%	0.34	C	S	.	.	H	α-helix	trans	-66.2	-39.2	175.1	-72.3	164	0	0	0	112.7	V22 I23 K24 H30 I36 L38 I60 L72 L76	V22-L26 HydrophobicContact CG1-CD1 3.91Å; V22-L26 VanDerWaalsContact O-CG 3.3Å; V22-L26 WeakPolarHBondContact O-CG 3.38Å; V22-L26 PolarHBondContact O-N 3.29Å; I23-L26 WeakPolarHBondContact O-CB 3.41Å; I23-L26 PolarHBondContact O-N 2.91Å; I23-L26 VanDerWaalsContact O-N 3.14Å; K24-L26 VanDerWaalsContact C-N 3.3Å; K24-L26 PolarHBondContact O-N 2.96Å; L26-H30 WeakPolarHBondContact O-CB 3.45Å; L26-H30 PolarHBondContact O-N 3.3Å; L26-H30 VanDerWaalsContact O-N 3.09Å; L26-I36 HydrophobicContact CD2-CD1 3.5Å; L26-I36 VanDerWaalsContact CD2-CD1 3.5Å; L26-I36 HydrophobicContact CD2-CG1 4.26Å; L26-I36 HydrophobicContact CG-CD1 4.19Å; L26-L38 HydrophobicContact CD1-CD1 4.08Å; L26-L38 HydrophobicContact CD2-CD1 4.09Å; L26-I60 HydrophobicContact CD1-CG2 4.22Å; L26-L72 HydrophobicContact CB-CD1 4.4Å; L26-L72 HydrophobicContact CB-CD2 4.45Å; L26-L76 HydrophobicContact CD1-CD1 4.37Å; L26-L76 HydrophobicContact CD1-CD2 4.08Å; L26-L76 HydrophobicContact CD2-CD2 4.38Å
27	I	90.9	Very high	89.3	Confident	23 Å²	23	60.6 Å²	60.6	12%	0.118	32%	0.324	C	S	.	.	H	α-helix	trans	-67	-50.5	176.5	-69.2	166.7	0	0	0	110	I23 K24 A29 H30 E31 P65 Y68 L72	I23-I27 HydrophobicContact CG2-CD1 3.79Å; I23-I27 HydrophobicContact CG2-CG1 4.39Å; I23-I27 WeakPolarHBondContact O-CG1 3.48Å; I23-I27 PolarHBondContact O-N 2.94Å; K24-I27 PolarHBondContact O-N 3.48Å; I27-A29 VanDerWaalsContact C-N 3.31Å; I27-A29 PolarHBondContact O-N 3.4Å; I27-H30 WeakPolarHBondContact O-CB 3.29Å; I27-H30 PolarHBondContact O-N 3.26Å; I27-H30 VanDerWaalsContact O-N 3.08Å; I27-E31 HydrophobicContact CG2-CG 4.45Å; I27-E31 WeakPolarHBondContact O-CG 3.29Å; I27-E31 PolarHBondContact O-N 3.02Å; I27-P65 HydrophobicContact CD1-CG 4.33Å; I27-Y68 HydrophobicContact CD1-CD2 3.66Å; I27-Y68 HydrophobicContact CD1-CE2 3.79Å; I27-Y68 HydrophobicContact CD1-CG 4.21Å; I27-Y68 HydrophobicContact CG1-CD1 4.23Å; I27-Y68 HydrophobicContact CG1-CD2 3.98Å; I27-Y68 HydrophobicContact CG1-CE1 4.38Å; I27-Y68 HydrophobicContact CG1-CE2 4.15Å; I27-Y68 HydrophobicContact CG1-CG 4.03Å; I27-Y68 HydrophobicContact CG2-CD1 4.34Å; I27-Y68 HydrophobicContact CG2-CE1 3.67Å; I27-Y68 HydrophobicContact CG2-CE2 3.94Å; I27-Y68 VanDerWaalsContact CG2-CZ 3.45Å; I27-L72 HydrophobicContact CG1-CD1 3.9Å
28	E	91.3	Very high	89.1	Confident	76 Å²	76	58.7 Å²	58.7	36%	0.355	31%	0.314	S	S	.	.	H	α-helix	trans	-58.4	-42.8	178.4	-72.5	173	-174.3	0	0	111.6	K24 H30 E31 Q32	K24-E28 WeakPolarHBondContact CE-OE1 3.15Å; K24-E28 IonicContact NZ-OE1 3.55Å; K24-E28 WeakPolarHBondContact O-CG 3.4Å; K24-E28 PolarHBondContact O-N 2.86Å; E28-H30 VanDerWaalsContact C-N 3.34Å; E28-H30 PolarHBondContact O-N 3.39Å; E28-E31 PolarHBondContact O-N 3.08Å; E28-Q32 WeakPolarHBondContact O-CB 3.46Å; E28-Q32 VanDerWaalsContact O-CG 3.23Å; E28-Q32 WeakPolarHBondContact O-CG 3.33Å; E28-Q32 PolarHBondContact O-N 3.48Å
29	A	89.6	Confident	88.9	Confident	9 Å²	9	63.4 Å²	63.4	7%	0.074	34%	0.339	C	S	.	.	H	α-helix	trans	-63	-40.1	176	0	0	0	0	0	112.2	Q25 I27 Q32 G33 K34 I36	Q25-A29 VanDerWaalsContact O-CB 3.24Å; Q25-A29 WeakPolarHBondContact O-CB 3.36Å; Q25-A29 PolarHBondContact O-N 2.98Å; I27-A29 VanDerWaalsContact C-N 3.31Å; I27-A29 PolarHBondContact O-N 3.4Å; A29-Q32 PolarHBondContact O-N 2.9Å; A29-G33 PolarHBondContact O-N 3.19Å; A29-G33 VanDerWaalsContact O-N 3.09Å; A29-K34 PolarHBondContact O-N 3.45Å; A29-I36 HydrophobicContact CB-CB 4.48Å; A29-I36 HydrophobicContact CB-CD1 3.66Å; A29-I36 HydrophobicContact CB-CG1 3.9Å; A29-I36 HydrophobicContact CB-CG2 3.73Å
30	H	87.6	Confident	88.8	Confident	64 Å²	64	69.7 Å²	69.7	30%	0.296	37%	0.366	S	S	.	.	H	α-helix	trans	-65.4	-46.3	176.7	174.2	47.8	0	0	0	112.4	L26 I27 E28 Q32 G33 V71 L72	L26-H30 WeakPolarHBondContact O-CB 3.45Å; L26-H30 PolarHBondContact O-N 3.3Å; L26-H30 VanDerWaalsContact O-N 3.09Å; I27-H30 WeakPolarHBondContact O-CB 3.29Å; I27-H30 PolarHBondContact O-N 3.26Å; I27-H30 VanDerWaalsContact O-N 3.08Å; E28-H30 VanDerWaalsContact C-N 3.34Å; E28-H30 PolarHBondContact O-N 3.39Å; H30-Q32 PolarHBondContact O-N 2.94Å; H30-G33 PolarHBondContact O-N 3.19Å; H30-V71 WeakPolarHBondContact CE1-CG1 3.27Å; H30-V71 VanDerWaalsContact NE2-CG1 3.33Å; H30-V71 WeakPolarHBondContact NE2-CG1 3.37Å; H30-L72 HydrophobicContact CB-CD2 4.37Å
31	E	88.9	Confident	88.7	Confident	124 Å²	124	68.5 Å²	68.5	58%	0.579	35%	0.35	S	S	*	.	H	α-helix	trans	-63.1	-31.8	179	-70.7	174.6	174.3	0	0	111.8	I27 E28 Y68	I27-E31 HydrophobicContact CG2-CG 4.45Å; I27-E31 WeakPolarHBondContact O-CG 3.29Å; I27-E31 PolarHBondContact O-N 3.02Å; E28-E31 PolarHBondContact O-N 3.08Å; E31-Y68 PolarHBondContact OE1-OH 3.48Å
32	Q	90.1	Very high	88.7	Confident	112 Å²	112	68.4 Å²	68.4	52%	0.523	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-2.3	175.2	-66.2	175.2	22.9	0	0	114.2	E28 A29 H30 K34	E28-Q32 WeakPolarHBondContact O-CB 3.46Å; E28-Q32 VanDerWaalsContact O-CG 3.23Å; E28-Q32 WeakPolarHBondContact O-CG 3.33Å; E28-Q32 PolarHBondContact O-N 3.48Å; A29-Q32 PolarHBondContact O-N 2.9Å; H30-Q32 PolarHBondContact O-N 2.94Å; Q32-K34 VanDerWaalsContact C-N 3.25Å; Q32-K34 HydrophobicContact CB-CD 4.26Å; Q32-K34 HydrophobicContact CB-CG 4.19Å; Q32-K34 PolarHBondContact O-N 3.13Å
33	G	84.2	Confident	88.6	Confident	69 Å²	69	71.7 Å²	71.7	71%	0.711	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.3	24.3	-177	0	0	0	0	0	114.7	A29 H30	A29-G33 PolarHBondContact O-N 3.19Å; A29-G33 VanDerWaalsContact O-N 3.09Å; H30-G33 PolarHBondContact O-N 3.19Å
34	K	86.6	Confident	88.5	Confident	128 Å²	128	78.8 Å²	78.8	56%	0.557	40%	0.399	S	S	*	.			trans	-95	137.7	-178.4	-70.4	178.2	-177.6	161.5	0	111.9	A29 Q32	A29-K34 PolarHBondContact O-N 3.45Å; Q32-K34 VanDerWaalsContact C-N 3.25Å; Q32-K34 HydrophobicContact CB-CD 4.26Å; Q32-K34 HydrophobicContact CB-CG 4.19Å; Q32-K34 PolarHBondContact O-N 3.13Å
35	D	82.1	Confident	88.5	Confident	162 Å²	162	73.2 Å²	73.2	87%	0.866	38%	0.375	S	S	*	.			trans	-80.6	132.6	168.4	-78.3	-24.4	0	0	0	110.4
36	I	84.9	Confident	88.5	Confident	70 Å²	70	71 Å²	71	36%	0.359	37%	0.366	S	S	.	.			trans	-130.3	141.5	-180	57.1	163.4	0	0	0	111.2	L26 A29 L38 V41	L26-I36 HydrophobicContact CD2-CD1 3.5Å; L26-I36 VanDerWaalsContact CD2-CD1 3.5Å; L26-I36 HydrophobicContact CD2-CG1 4.26Å; L26-I36 HydrophobicContact CG-CD1 4.19Å; A29-I36 HydrophobicContact CB-CB 4.48Å; A29-I36 HydrophobicContact CB-CD1 3.66Å; A29-I36 HydrophobicContact CB-CG1 3.9Å; A29-I36 HydrophobicContact CB-CG2 3.73Å; I36-L38 PolarHBondContact O-N 2.94Å; I36-V41 HydrophobicContact CB-CG2 4.46Å; I36-V41 HydrophobicContact CD1-CG2 4.13Å
37	D	85.2	Confident	88.4	Confident	76 Å²	76	73.7 Å²	73.7	41%	0.406	39%	0.39	S	S	.	.			trans	-81	108.1	173.9	-179.5	-22.6	0	0	0	109.6	N39 K40 V41	D37-N39 PolarHBondContact O-N 3.18Å; D37-N39 WeakPolarHBondContact OD1-CB 3.48Å; D37-N39 PolarHBondContact OD1-N 3.08Å; D37-K40 HydrophobicContact CB-CB 4.06Å; D37-K40 HydrophobicContact CB-CD 3.97Å; D37-K40 HydrophobicContact CB-CG 4.05Å; D37-K40 PolarHBondContact O-N 3.08Å; D37-K40 PolarHBondContact OD1-N 2.66Å; D37-K40 WeakPolarHBondContact OD2-CE 3.3Å; D37-K40 WeakPolarHBondContact OD2-CG 3.5Å; D37-V41 WeakPolarHBondContact O-CG2 3.4Å; D37-V41 PolarHBondContact O-N 3.09Å
38	L	86.5	Confident	88.3	Confident	38 Å²	38	78 Å²	78	20%	0.199	41%	0.408	C	S	.	.	H	α-helix	trans	-57.3	-36.5	-179.2	-177.8	64.9	0	0	0	112.6	V22 L26 I36 V41 K42 L57 L76	V22-L38 HydrophobicContact CG1-CD1 4.32Å; L26-L38 HydrophobicContact CD1-CD1 4.08Å; L26-L38 HydrophobicContact CD2-CD1 4.09Å; I36-L38 PolarHBondContact O-N 2.94Å; L38-V41 PolarHBondContact O-N 3.11Å; L38-K42 HydrophobicContact CD1-CD 4.41Å; L38-K42 HydrophobicContact CD1-CG 4.31Å; L38-K42 HydrophobicContact CG-CD 3.98Å; L38-K42 HydrophobicContact CG-CG 4.34Å; L38-K42 WeakPolarHBondContact O-CB 3.48Å; L38-K42 WeakPolarHBondContact O-CG 3.41Å; L38-K42 PolarHBondContact O-N 3.35Å; L38-L57 HydrophobicContact CD2-CD1 3.79Å; L38-L76 HydrophobicContact CD1-CD2 4.06Å; L38-L76 HydrophobicContact CD2-CD2 3.71Å
39	N	86.9	Confident	88.2	Confident	100 Å²	100	76.4 Å²	76.4	54%	0.535	40%	0.399	S	S	.	.	H	α-helix	trans	-70.3	-39.6	-179.2	-72.7	-35.1	0	0	0	110.9	D37 K42 T43	D37-N39 PolarHBondContact O-N 3.18Å; D37-N39 WeakPolarHBondContact OD1-CB 3.48Å; D37-N39 PolarHBondContact OD1-N 3.08Å; N39-K42 PolarHBondContact O-N 3.21Å; N39-T43 WeakPolarHBondContact O-CB 3.3Å; N39-T43 PolarHBondContact O-N 3.1Å; N39-T43 PolarHBondContact O-OG1 3.4Å
40	K	88.5	Confident	88	Confident	148 Å²	148	79.2 Å²	79.2	64%	0.643	43%	0.429	S	S	*	.	H	α-helix	trans	-62.7	-45.1	173.4	-71.5	-178.9	-172.4	177.6	0	111.4	D37 T43 K44	D37-K40 HydrophobicContact CB-CB 4.06Å; D37-K40 HydrophobicContact CB-CD 3.97Å; D37-K40 HydrophobicContact CB-CG 4.05Å; D37-K40 PolarHBondContact O-N 3.08Å; D37-K40 PolarHBondContact OD1-N 2.66Å; D37-K40 WeakPolarHBondContact OD2-CE 3.3Å; D37-K40 WeakPolarHBondContact OD2-CG 3.5Å; K40-T43 PolarHBondContact O-N 3.42Å; K40-K44 WeakPolarHBondContact O-CB 3.48Å; K40-K44 PolarHBondContact O-N 3.38Å
41	V	90.3	Very high	88	Confident	16 Å²	16	77.6 Å²	77.6	10%	0.097	42%	0.422	C	S	.	.	H	α-helix	trans	-60.3	-49.2	177.6	172.8	0	0	0	0	110.8	V22 Q25 I36 D37 L38 T43 K44 T45	V22-V41 HydrophobicContact CB-CG1 4.47Å; V22-V41 HydrophobicContact CG1-CG1 4.12Å; V22-V41 HydrophobicContact CG2-CG1 4.23Å; Q25-V41 HydrophobicContact CB-CG1 4.37Å; I36-V41 HydrophobicContact CB-CG2 4.46Å; I36-V41 HydrophobicContact CD1-CG2 4.13Å; D37-V41 WeakPolarHBondContact O-CG2 3.4Å; D37-V41 PolarHBondContact O-N 3.09Å; L38-V41 PolarHBondContact O-N 3.11Å; V41-T43 VanDerWaalsContact C-N 3.32Å; V41-T43 PolarHBondContact O-N 2.92Å; V41-K44 PolarHBondContact O-N 2.97Å; V41-T45 WeakPolarHBondContact O-CB 3.45Å; V41-T45 PolarHBondContact O-N 2.69Å; V41-T45 PolarHBondContact O-OG1 3.12Å
42	K	90.7	Very high	87.7	Confident	22 Å²	22	78.1 Å²	78.1	10%	0.096	44%	0.439	C	S	.	.	H	α-helix	trans	-56.9	-44.7	176.4	-72.8	169.4	69.9	-149.5	0	112.4	L38 N39 A46 Q54 P55 I60	L38-K42 HydrophobicContact CD1-CD 4.41Å; L38-K42 HydrophobicContact CD1-CG 4.31Å; L38-K42 HydrophobicContact CG-CD 3.98Å; L38-K42 HydrophobicContact CG-CG 4.34Å; L38-K42 WeakPolarHBondContact O-CB 3.48Å; L38-K42 WeakPolarHBondContact O-CG 3.41Å; L38-K42 PolarHBondContact O-N 3.35Å; N39-K42 PolarHBondContact O-N 3.21Å; K42-A46 WeakPolarHBondContact O-CB 3.37Å; K42-A46 PolarHBondContact O-N 3.43Å; K42-Q54 VanDerWaalsContact NZ-OE1 3.13Å; K42-P55 WeakPolarHBondContact CE-O 3.4Å; K42-P55 HydrophobicContact CG-CG 4.29Å; K42-P55 PolarHBondContact NZ-O 2.87Å; K42-I60 HydrophobicContact CD-CD1 3.88Å; K42-I60 HydrophobicContact CG-CD1 3.9Å
43	T	89.8	Confident	87.5	Confident	69 Å²	69	75.3 Å²	75.3	42%	0.423	44%	0.436	S	S	.	.	H	α-helix	trans	-65.2	-50.3	-178.6	-52.5	0	0	0	0	111	N39 K40 V41 T45 A46 A47 Q54	N39-T43 WeakPolarHBondContact O-CB 3.3Å; N39-T43 PolarHBondContact O-N 3.1Å; N39-T43 PolarHBondContact O-OG1 3.4Å; K40-T43 PolarHBondContact O-N 3.42Å; V41-T43 VanDerWaalsContact C-N 3.32Å; V41-T43 PolarHBondContact O-N 2.92Å; T43-T45 PolarHBondContact O-N 3.26Å; T43-A46 PolarHBondContact O-N 3.14Å; T43-A47 WeakPolarHBondContact O-CB 3.4Å; T43-A47 PolarHBondContact O-N 3Å; T43-Q54 PolarHBondContact OG1-NE2 3.44Å
44	K	90.9	Very high	87.8	Confident	161 Å²	161	75.9 Å²	75.9	70%	0.7	42%	0.42	S	S	*	.	H	α-helix	trans	-62.6	-43.6	-178.7	-172.3	178.8	-179.6	-178.7	0	111.5	K40 V41 K48	K40-K44 WeakPolarHBondContact O-CB 3.48Å; K40-K44 PolarHBondContact O-N 3.38Å; V41-K44 PolarHBondContact O-N 2.97Å; K44-K48 PolarHBondContact O-N 2.78Å
45	T	90.9	Very high	87.8	Confident	3 Å²	3	69.9 Å²	69.9	2%	0.018	39%	0.394	C	S	.	.	H	α-helix	trans	-71.2	-41.1	179.6	-51.6	0	0	0	0	111.3	T18 D21 V22 Q25 V41 T43 A47 K48 Y49	T18-T45 HydrophobicContact CG2-CG2 3.89Å; D21-T45 HydrophobicContact CB-CG2 3.77Å; D21-T45 WeakPolarHBondContact OD2-CG2 3.17Å; V22-T45 HydrophobicContact CG2-CG2 3.96Å; Q25-T45 PolarHBondContact NE2-OG1 3.36Å; Q25-T45 VanDerWaalsContact NE2-OG1 3.17Å; V41-T45 WeakPolarHBondContact O-CB 3.45Å; V41-T45 PolarHBondContact O-N 2.69Å; V41-T45 PolarHBondContact O-OG1 3.12Å; T43-T45 PolarHBondContact O-N 3.26Å; T45-A47 VanDerWaalsContact C-N 3.31Å; T45-A47 PolarHBondContact O-N 2.92Å; T45-K48 WeakPolarHBondContact O-CB 3.38Å; T45-K48 PolarHBondContact O-N 3.27Å; T45-Y49 HydrophobicContact CG2-CD2 4Å; T45-Y49 HydrophobicContact CG2-CE2 3.83Å; T45-Y49 VanDerWaalsContact O-CD2 3.27Å; T45-Y49 WeakPolarHBondContact O-CD2 3.45Å; T45-Y49 PolarHBondContact O-N 2.99Å
46	A	90.8	Very high	88	Confident	4 Å²	4	70 Å²	70	3%	0.033	38%	0.382	C	S	.	.	H	α-helix	trans	-60.1	-41.4	174.9	0	0	0	0	0	112	T18 K42 T43 Y49 G50 L51	T18-A46 HydrophobicContact CG2-CB 4.43Å; K42-A46 WeakPolarHBondContact O-CB 3.37Å; K42-A46 PolarHBondContact O-N 3.43Å; T43-A46 PolarHBondContact O-N 3.14Å; A46-Y49 CarbonylContact O-C 3.6Å; A46-Y49 PolarHBondContact O-N 3.34Å; A46-G50 PolarHBondContact O-N 2.93Å; A46-G50 VanDerWaalsContact O-N 3.08Å; A46-L51 HydrophobicContact CB-CB 4.34Å; A46-L51 PolarHBondContact O-N 3.41Å
47	A	89.6	Confident	88.1	Confident	73 Å²	73	68.5 Å²	68.5	60%	0.603	38%	0.375	S	S	*	.	H	α-helix	trans	-63.4	-41.3	174.8	0	0	0	0	0	112.5	T43 T45 Y49 G50	T43-A47 WeakPolarHBondContact O-CB 3.4Å; T43-A47 PolarHBondContact O-N 3Å; T45-A47 VanDerWaalsContact C-N 3.31Å; T45-A47 PolarHBondContact O-N 2.92Å; A47-Y49 PolarHBondContact O-N 3.29Å; A47-G50 PolarHBondContact O-N 3.46Å; A47-G50 VanDerWaalsContact O-N 3.08Å
48	K	89.6	Confident	88.1	Confident	114 Å²	114	66.7 Å²	66.7	50%	0.496	37%	0.366	S	S	.	.	H	α-helix	trans	-57.5	-31.4	176.1	174.9	-174.4	170.8	-170.1	0	113.2	D21 K44 T45	D21-K48 IonicContact OD1-NZ 2.63Å; D21-K48 IonicContact OD2-NZ 2.71Å; D21-K48 PolarHBondContact OD2-NZ 2.89Å; K44-K48 PolarHBondContact O-N 2.78Å; T45-K48 WeakPolarHBondContact O-CB 3.38Å; T45-K48 PolarHBondContact O-N 3.27Å
49	Y	87.9	Confident	88.1	Confident	43 Å²	43	66.7 Å²	66.7	17%	0.169	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	4.4	178.8	-68.9	-81.2	0	0	0	113.7	L14 L17 T18 D21 T45 A46 A47 L51	L14-Y49 HydrophobicContact CD2-CD1 4.34Å; L17-Y49 HydrophobicContact CB-CD1 4.27Å; L17-Y49 HydrophobicContact CB-CE1 3.86Å; L17-Y49 HydrophobicContact CD1-CE1 4.36Å; T18-Y49 HydrophobicContact CG2-CD2 4.49Å; T18-Y49 WeakPolarHBondContact OG1-CB 2.89Å; T18-Y49 VanDerWaalsContact OG1-CD2 3.29Å; T18-Y49 WeakPolarHBondContact OG1-CD2 3.29Å; D21-Y49 HydrophobicContact CB-CE2 4.04Å; T45-Y49 HydrophobicContact CG2-CD2 4Å; T45-Y49 HydrophobicContact CG2-CE2 3.83Å; T45-Y49 VanDerWaalsContact O-CD2 3.27Å; T45-Y49 WeakPolarHBondContact O-CD2 3.45Å; T45-Y49 PolarHBondContact O-N 2.99Å; A46-Y49 CarbonylContact O-C 3.6Å; A46-Y49 PolarHBondContact O-N 3.34Å; A47-Y49 PolarHBondContact O-N 3.29Å; Y49-L51 PolarHBondContact O-N 3.33Å
50	G	85.9	Confident	88.2	Confident	67 Å²	67	62 Å²	62	69%	0.691	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.7	25.9	176.1	0	0	0	0	0	114.9	A46 A47	A46-G50 PolarHBondContact O-N 2.93Å; A46-G50 VanDerWaalsContact O-N 3.08Å; A47-G50 PolarHBondContact O-N 3.46Å; A47-G50 VanDerWaalsContact O-N 3.08Å
51	L	86.8	Confident	88.1	Confident	30 Å²	30	55.5 Å²	55.5	16%	0.157	31%	0.314	C	S	.	.			trans	-80.1	137.9	180	-70.9	170.1	0	0	0	111.9	L14 M15 T18 A46 Y49 A53	L14-L51 HydrophobicContact CB-CD2 4.04Å; M15-L51 HydrophobicContact CB-CD1 4.49Å; M15-L51 HydrophobicContact CE-CD1 3.89Å; M15-L51 HydrophobicContact CE-CD2 4.23Å; M15-L51 HydrophobicContact SD-CD1 3.9Å; T18-L51 HydrophobicContact CG2-CD1 3.95Å; T18-L51 WeakPolarHBondContact OG1-CD1 3.39Å; A46-L51 HydrophobicContact CB-CB 4.34Å; A46-L51 PolarHBondContact O-N 3.41Å; Y49-L51 PolarHBondContact O-N 3.33Å; L51-A53 VanDerWaalsContact C-N 3.28Å; L51-A53 PolarHBondContact O-N 2.97Å
52	S	84.4	Confident	87.9	Confident	135 Å²	135	58 Å²	58	94%	0.944	34%	0.336	S	S	*	.	S	Bend	trans	-74.2	-17.6	174.3	57	0	0	0	0	113.7
53	A	86.1	Confident	87.8	Confident	54 Å²	54	59.3 Å²	59.3	45%	0.446	35%	0.351	S	S	.	.	S	Bend	trans	-134.6	148.4	-178.7	0	0	0	0	0	111.3	L51	L51-A53 VanDerWaalsContact C-N 3.28Å; L51-A53 PolarHBondContact O-N 2.97Å
54	Q	88.5	Confident	87.8	Confident	81 Å²	81	56.1 Å²	56.1	38%	0.379	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-75.1	149.5	174.7	-64.2	-177.3	1.9	0	0	111.5	K42 T43	K42-Q54 VanDerWaalsContact NZ-OE1 3.13Å; T43-Q54 PolarHBondContact OG1-NE2 3.44Å
55	P	87.3	Confident	87.7	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.006	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-59.1	140.7	171.2	23.9	-33.1	0	0	0	110.7	M15 T18 I19 K42 I60	M15-P55 HydrophobicContact SD-CB 3.86Å; T18-P55 HydrophobicContact CG2-CG 4.19Å; I19-P55 HydrophobicContact CD1-CB 4.38Å; I19-P55 HydrophobicContact CG1-CB 3.7Å; K42-P55 WeakPolarHBondContact CE-O 3.4Å; K42-P55 HydrophobicContact CG-CG 4.29Å; K42-P55 PolarHBondContact NZ-O 2.87Å; P55-I60 HydrophobicContact CB-CD1 4.37Å; P55-I60 HydrophobicContact CB-CG1 4.25Å; P55-I60 HydrophobicContact CG-CD1 4.23Å
56	R	87.1	Confident	87.5	Confident	164 Å²	164	54.7 Å²	54.7	62%	0.619	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-74.3	148.1	177	-53.1	173.6	-63.9	-178	3.6	108.8	V58 D59 I60	R56-V58 PolarHBondContact O-N 2.97Å; R56-D59 VanDerWaalsContact CB-OD2 3.28Å; R56-D59 WeakPolarHBondContact CB-OD2 3.31Å; R56-D59 IonicContact CZ-OD1 2.71Å; R56-D59 IonicContact CZ-OD2 4Å; R56-D59 IonicContact NE-OD1 2.75Å; R56-D59 IonicContact NE-OD2 2.81Å; R56-D59 PolarHBondContact NE-OD2 2.93Å; R56-D59 IonicContact NH2-OD1 2.96Å; R56-D59 PolarHBondContact NH2-OD1 3.35Å; R56-D59 IonicContact NH2-OD2 2.68Å; R56-D59 PolarHBondContact NH2-OD2 3.31Å; R56-D59 PolarHBondContact O-N 3.37Å; R56-I60 PolarHBondContact O-N 3.5Å
57	L	86.1	Confident	87.4	Confident	40 Å²	40	61.4 Å²	61.4	21%	0.209	37%	0.369	C	S	.	.	H	α-helix	trans	-57.7	-36.2	178.6	-179.1	61.6	0	0	0	112.3	L38 D59 I60 I61 L76 A78	L38-L57 HydrophobicContact CD2-CD1 3.79Å; L57-D59 VanDerWaalsContact C-N 3.31Å; L57-D59 PolarHBondContact O-N 3.01Å; L57-I60 PolarHBondContact O-N 3.44Å; L57-I61 HydrophobicContact CD1-CD1 4.3Å; L57-I61 HydrophobicContact CD1-CG1 4.35Å; L57-I61 HydrophobicContact CG-CD1 3.91Å; L57-I61 HydrophobicContact CG-CG1 4.4Å; L57-I61 WeakPolarHBondContact O-CG1 3.4Å; L57-I61 PolarHBondContact O-N 3.33Å; L57-L76 HydrophobicContact CD1-CB 4.47Å; L57-A78 HydrophobicContact CD2-CB 3.82Å
58	V	85.1	Confident	87.2	Confident	37 Å²	37	60.3 Å²	60.3	22%	0.224	35%	0.35	C	S	.	.	H	α-helix	trans	-60.7	-41.1	177.3	-175.6	0	0	0	0	111.5	R56 I61 A62 Q157 L158	R56-V58 PolarHBondContact O-N 2.97Å; V58-I61 PolarHBondContact O-N 3.46Å; V58-A62 WeakPolarHBondContact O-CB 3.46Å; V58-A62 PolarHBondContact O-N 2.94Å; V58-Q157 HydrophobicContact CG1-CB 3.67Å; V58-Q157 HydrophobicContact CG1-CG 4.05Å; V58-L158 HydrophobicContact CG2-CD2 3.93Å
59	D	87.1	Confident	86.9	Confident	39 Å²	39	60.6 Å²	60.6	21%	0.209	35%	0.348	C	S	.	.	H	α-helix	trans	-69.2	-38	179.7	-53.4	-40	0	0	0	110.6	I19 R56 L57 A62 A63	I19-D59 HydrophobicContact CD1-CB 3.71Å; R56-D59 VanDerWaalsContact CB-OD2 3.28Å; R56-D59 WeakPolarHBondContact CB-OD2 3.31Å; R56-D59 IonicContact CZ-OD1 2.71Å; R56-D59 IonicContact CZ-OD2 4Å; R56-D59 IonicContact NE-OD1 2.75Å; R56-D59 IonicContact NE-OD2 2.81Å; R56-D59 PolarHBondContact NE-OD2 2.93Å; R56-D59 IonicContact NH2-OD1 2.96Å; R56-D59 PolarHBondContact NH2-OD1 3.35Å; R56-D59 IonicContact NH2-OD2 2.68Å; R56-D59 PolarHBondContact NH2-OD2 3.31Å; R56-D59 PolarHBondContact O-N 3.37Å; L57-D59 VanDerWaalsContact C-N 3.31Å; L57-D59 PolarHBondContact O-N 3.01Å; D59-A62 PolarHBondContact O-N 3.45Å; D59-A63 WeakPolarHBondContact O-CB 3.48Å; D59-A63 PolarHBondContact O-N 2.98Å; D59-A63 VanDerWaalsContact O-N 3.13Å
60	I	88.8	Confident	86.6	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-63.4	-48.3	174.2	-60.3	169.1	0	0	0	110.5	V22 I23 L26 K42 P55 R56 L57 A62 A63 V64 L76	V22-I60 HydrophobicContact CG1-CD1 4.21Å; V22-I60 HydrophobicContact CG1-CG2 4.41Å; I23-I60 HydrophobicContact CG1-CG2 4.26Å; L26-I60 HydrophobicContact CD1-CG2 4.22Å; K42-I60 HydrophobicContact CD-CD1 3.88Å; K42-I60 HydrophobicContact CG-CD1 3.9Å; P55-I60 HydrophobicContact CB-CD1 4.37Å; P55-I60 HydrophobicContact CB-CG1 4.25Å; P55-I60 HydrophobicContact CG-CD1 4.23Å; R56-I60 PolarHBondContact O-N 3.5Å; L57-I60 PolarHBondContact O-N 3.44Å; I60-A62 VanDerWaalsContact C-N 3.34Å; I60-A62 PolarHBondContact O-N 3.28Å; I60-A63 PolarHBondContact O-N 3.35Å; I60-V64 WeakPolarHBondContact O-CG2 3.48Å; I60-V64 PolarHBondContact O-N 2.94Å; I60-L76 HydrophobicContact CG2-CD1 4.29Å
61	I	86.4	Confident	86.5	Confident	13 Å²	13	66.8 Å²	66.8	7%	0.067	36%	0.36	C	S	.	.	H	α-helix	trans	-60.7	-43.9	178.9	-70	169.6	0	0	0	110.9	L57 V58 A63 V64 L76	L57-I61 HydrophobicContact CD1-CD1 4.3Å; L57-I61 HydrophobicContact CD1-CG1 4.35Å; L57-I61 HydrophobicContact CG-CD1 3.91Å; L57-I61 HydrophobicContact CG-CG1 4.4Å; L57-I61 WeakPolarHBondContact O-CG1 3.4Å; L57-I61 PolarHBondContact O-N 3.33Å; V58-I61 PolarHBondContact O-N 3.46Å; I61-A63 VanDerWaalsContact C-N 3.27Å; I61-A63 PolarHBondContact O-N 3.45Å; I61-V64 PolarHBondContact O-N 3.01Å; I61-L76 HydrophobicContact CG1-CB 4.08Å
62	A	86.6	Confident	86.4	Confident	69 Å²	69	65.6 Å²	65.6	57%	0.57	35%	0.354	S	S	*	.	H	α-helix	trans	-62.6	-34.7	-180	0	0	0	0	0	112.6	V58 D59 I60	V58-A62 WeakPolarHBondContact O-CB 3.46Å; V58-A62 PolarHBondContact O-N 2.94Å; D59-A62 PolarHBondContact O-N 3.45Å; I60-A62 VanDerWaalsContact C-N 3.34Å; I60-A62 PolarHBondContact O-N 3.28Å
63	A	89.1	Confident	86.3	Confident	49 Å²	49	61 Å²	61	41%	0.405	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-4.2	-179.4	0	0	0	0	0	114.2	I19 I23 D59 I60 I61 P65	I19-A63 HydrophobicContact CG2-CB 3.5Å; I23-A63 HydrophobicContact CD1-CB 3.36Å; I23-A63 WeakPolarHBondContact CD1-O 3.38Å; D59-A63 WeakPolarHBondContact O-CB 3.48Å; D59-A63 PolarHBondContact O-N 2.98Å; D59-A63 VanDerWaalsContact O-N 3.13Å; I60-A63 PolarHBondContact O-N 3.35Å; I61-A63 VanDerWaalsContact C-N 3.27Å; I61-A63 PolarHBondContact O-N 3.45Å; A63-P65 WeakPolarHBondContact O-CD 3.2Å
64	V	89.6	Confident	86	Confident	2 Å²	2	62.2 Å²	62.2	1%	0.012	32%	0.322	C	S	.	.	S	Bend	trans	-62	124.2	177.7	177.6	0	0	0	0	110.9	I60 I61 R69 L72 L76	I60-V64 WeakPolarHBondContact O-CG2 3.48Å; I60-V64 PolarHBondContact O-N 2.94Å; I61-V64 PolarHBondContact O-N 3.01Å; V64-R69 HydrophobicContact CB-CG 4.41Å; V64-R69 HydrophobicContact CG1-CG 3.96Å; V64-R69 PolarHBondContact O-NE 3.01Å; V64-L72 HydrophobicContact CG1-CB 4.19Å; V64-L72 HydrophobicContact CG1-CD1 4.22Å; V64-L76 HydrophobicContact CG2-CD1 3.95Å
65	P	88.4	Confident	85.6	Confident	37 Å²	37	64.8 Å²	64.8	24%	0.24	33%	0.332	C	S	.	.			trans	-59.5	142.9	179	-24.6	33	0	0	0	112.5	I23 I27 A63 Q67 Y68 R69	I23-P65 HydrophobicContact CG2-CG 4.4Å; I27-P65 HydrophobicContact CD1-CG 4.33Å; A63-P65 WeakPolarHBondContact O-CD 3.2Å; P65-Q67 HydrophobicContact CB-CG 4.4Å; P65-Q67 PolarHBondContact O-N 3.17Å; P65-Q67 VanDerWaalsContact O-N 3.08Å; P65-Y68 HydrophobicContact CB-CD2 4.32Å; P65-Y68 PolarHBondContact O-N 2.61Å; P65-R69 WeakPolarHBondContact O-CG 3.16Å; P65-R69 PolarHBondContact O-N 3.47Å
66	P	86.6	Confident	85.4	Confident	96 Å²	96	65.2 Å²	65.2	62%	0.623	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-49.8	-39.9	-176.1	-29.7	35.8	0	0	0	114.7	Y68 R69	P66-Y68 VanDerWaalsContact C-N 3.33Å; P66-Y68 PolarHBondContact O-N 3.23Å; P66-R69 PolarHBondContact O-N 3.31Å
67	Q	88.3	Confident	84.9	Confident	146 Å²	146	59.6 Å²	59.6	68%	0.682	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-64.5	-31.5	-180	67.4	-135.2	43.5	0	0	113.9	P65	P65-Q67 HydrophobicContact CB-CG 4.4Å; P65-Q67 PolarHBondContact O-N 3.17Å; P65-Q67 VanDerWaalsContact O-N 3.08Å
68	Y	86.4	Confident	84.3	Confident	49 Å²	49	58.8 Å²	58.8	19%	0.192	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-98.2	-3.2	-178.6	-67.3	-79.5	0	0	0	113.4	I27 E31 P65 P66 K70 V71 L72	I27-Y68 HydrophobicContact CD1-CD2 3.66Å; I27-Y68 HydrophobicContact CD1-CE2 3.79Å; I27-Y68 HydrophobicContact CD1-CG 4.21Å; I27-Y68 HydrophobicContact CG1-CD1 4.23Å; I27-Y68 HydrophobicContact CG1-CD2 3.98Å; I27-Y68 HydrophobicContact CG1-CE1 4.38Å; I27-Y68 HydrophobicContact CG1-CE2 4.15Å; I27-Y68 HydrophobicContact CG1-CG 4.03Å; I27-Y68 HydrophobicContact CG2-CD1 4.34Å; I27-Y68 HydrophobicContact CG2-CE1 3.67Å; I27-Y68 HydrophobicContact CG2-CE2 3.94Å; I27-Y68 VanDerWaalsContact CG2-CZ 3.45Å; E31-Y68 PolarHBondContact OE1-OH 3.48Å; P65-Y68 HydrophobicContact CB-CD2 4.32Å; P65-Y68 PolarHBondContact O-N 2.61Å; P66-Y68 VanDerWaalsContact C-N 3.33Å; P66-Y68 PolarHBondContact O-N 3.23Å; Y68-K70 VanDerWaalsContact C-N 3.32Å; Y68-K70 PolarHBondContact O-N 2.76Å; Y68-V71 PolarHBondContact O-N 3.28Å; Y68-V71 VanDerWaalsContact O-N 3.1Å; Y68-L72 PolarHBondContact O-N 3.14Å
69	R	83.4	Confident	83.5	Confident	120 Å²	120	63.6 Å²	63.6	45%	0.453	33%	0.331	S	S	.	.	H	α-helix	trans	-56.8	-42.4	-178.3	-76	-173.2	179.8	176.9	-3.2	113	V64 P65 P66 V71 I73	V64-R69 HydrophobicContact CB-CG 4.41Å; V64-R69 HydrophobicContact CG1-CG 3.96Å; V64-R69 PolarHBondContact O-NE 3.01Å; P65-R69 WeakPolarHBondContact O-CG 3.16Å; P65-R69 PolarHBondContact O-N 3.47Å; P66-R69 PolarHBondContact O-N 3.31Å; R69-V71 PolarHBondContact O-N 3.24Å; R69-I73 HydrophobicContact CB-CD1 3.71Å; R69-I73 HydrophobicContact CB-CG1 4.33Å; R69-I73 HydrophobicContact CG-CD1 3.83Å; R69-I73 VanDerWaalsContact O-CB 3.25Å; R69-I73 WeakPolarHBondContact O-CB 3.35Å; R69-I73 VanDerWaalsContact O-CG1 3.3Å; R69-I73 WeakPolarHBondContact O-CG1 3.39Å; R69-I73 PolarHBondContact O-N 2.99Å
70	K	80.9	Confident	82.5	Confident	192 Å²	192	64.6 Å²	64.6	84%	0.835	34%	0.34	S	S	*	.	H	α-helix	trans	-62.6	-27.2	-179.2	-73	-174	177.5	179.5	0	113	Y68 P74	Y68-K70 VanDerWaalsContact C-N 3.32Å; Y68-K70 PolarHBondContact O-N 2.76Å; K70-P74 WeakPolarHBondContact O-CD 3.16Å; K70-P74 WeakPolarHBondContact O-CG 3.48Å
71	V	83.6	Confident	81.6	Confident	49 Å²	49	67.7 Å²	67.7	30%	0.297	36%	0.356	S	S	.	.	H	α-helix	trans	-97.4	-48.6	-176.4	179.4	0	0	0	0	111.7	H30 Y68 R69 P74	H30-V71 WeakPolarHBondContact CE1-CG1 3.27Å; H30-V71 VanDerWaalsContact NE2-CG1 3.33Å; H30-V71 WeakPolarHBondContact NE2-CG1 3.37Å; Y68-V71 PolarHBondContact O-N 3.28Å; Y68-V71 VanDerWaalsContact O-N 3.1Å; R69-V71 PolarHBondContact O-N 3.24Å; V71-P74 WeakPolarHBondContact O-CD 3.35Å
72	L	84.5	Confident	80.8	Confident	4 Å²	4	72.4 Å²	72.4	2%	0.021	37%	0.373	C	S	.	.	H	α-helix	trans	-81.6	-35.7	-171.1	-66.3	-178.6	0	0	0	112.8	L26 I27 H30 V64 Y68 K75 L76	L26-L72 HydrophobicContact CB-CD1 4.4Å; L26-L72 HydrophobicContact CB-CD2 4.45Å; I27-L72 HydrophobicContact CG1-CD1 3.9Å; H30-L72 HydrophobicContact CB-CD2 4.37Å; V64-L72 HydrophobicContact CG1-CB 4.19Å; V64-L72 HydrophobicContact CG1-CD1 4.22Å; Y68-L72 PolarHBondContact O-N 3.14Å; L72-K75 PolarHBondContact O-N 2.77Å; L72-K75 VanDerWaalsContact O-N 3.09Å; L72-L76 HydrophobicContact CB-CD1 4.2Å; L72-L76 WeakPolarHBondContact O-CB 3.5Å; L72-L76 VanDerWaalsContact O-CG 3.29Å; L72-L76 WeakPolarHBondContact O-CG 3.27Å; L72-L76 PolarHBondContact O-N 3.43Å
73	I	82.1	Confident	79.7	Confident	39 Å²	39	69.3 Å²	69.3	20%	0.2	35%	0.347	C	S	.	.	H	α-helix	trans	-60.6	-44.2	-178.9	-64.1	177.6	0	0	0	112	R69 K75 L76 K77	R69-I73 HydrophobicContact CB-CD1 3.71Å; R69-I73 HydrophobicContact CB-CG1 4.33Å; R69-I73 HydrophobicContact CG-CD1 3.83Å; R69-I73 VanDerWaalsContact O-CB 3.25Å; R69-I73 WeakPolarHBondContact O-CB 3.35Å; R69-I73 VanDerWaalsContact O-CG1 3.3Å; R69-I73 WeakPolarHBondContact O-CG1 3.39Å; R69-I73 PolarHBondContact O-N 2.99Å; I73-K75 PolarHBondContact O-N 2.66Å; I73-L76 PolarHBondContact O-N 3.29Å; I73-K77 PolarHBondContact O-N 2.92Å
74	P	79.6	Confident	78.4	Confident	79 Å²	79	67.7 Å²	67.7	51%	0.513	33%	0.333	S	S	.	.	H	α-helix	trans	-56.9	-36.6	174.2	-27.7	36.1	0	0	0	113.8	K70 V71	K70-P74 WeakPolarHBondContact O-CD 3.16Å; K70-P74 WeakPolarHBondContact O-CG 3.48Å; V71-P74 WeakPolarHBondContact O-CD 3.35Å
75	K	81.1	Confident	77.1	Confident	135 Å²	135	68.6 Å²	68.6	59%	0.587	34%	0.34	S	S	*	.	H	α-helix	trans	-77.8	-31.1	179.1	-63.3	-175.4	177.7	-170.7	0	113.2	L72 I73	L72-K75 PolarHBondContact O-N 2.77Å; L72-K75 VanDerWaalsContact O-N 3.09Å; I73-K75 PolarHBondContact O-N 2.66Å
76	L	81.6	Confident	76.3	Confident	11 Å²	11	67.2 Å²	67.2	6%	0.058	33%	0.332	C	S	.	.	H	α-helix	trans	-88	-2.7	179.3	-66	173	0	0	0	113.3	L26 L38 L57 I60 I61 V64 L72 I73 A78	L26-L76 HydrophobicContact CD1-CD1 4.37Å; L26-L76 HydrophobicContact CD1-CD2 4.08Å; L26-L76 HydrophobicContact CD2-CD2 4.38Å; L38-L76 HydrophobicContact CD1-CD2 4.06Å; L38-L76 HydrophobicContact CD2-CD2 3.71Å; L57-L76 HydrophobicContact CD1-CB 4.47Å; I60-L76 HydrophobicContact CG2-CD1 4.29Å; I61-L76 HydrophobicContact CG1-CB 4.08Å; V64-L76 HydrophobicContact CG2-CD1 3.95Å; L72-L76 HydrophobicContact CB-CD1 4.2Å; L72-L76 WeakPolarHBondContact O-CB 3.5Å; L72-L76 VanDerWaalsContact O-CG 3.29Å; L72-L76 WeakPolarHBondContact O-CG 3.27Å; L72-L76 PolarHBondContact O-N 3.43Å; I73-L76 PolarHBondContact O-N 3.29Å; L76-A78 PolarHBondContact O-N 3.24Å
77	K	77.5	Confident	76.2	Confident	45 Å²	45	63.2 Å²	63.2	20%	0.196	31%	0.306	C	S	.	.			trans	-62.2	123	-177.5	-176.3	178.4	-71	176.7	0	110.9	I73 K79 G159	I73-K77 PolarHBondContact O-N 2.92Å; K77-K79 PolarHBondContact O-N 2.99Å; K77-G159 WeakPolarHBondContact CE-O 3.27Å
78	A	73.2	Confident	76.3	Confident	24 Å²	24	56.3 Å²	56.3	20%	0.198	27%	0.273	C	S	.	.	S	Bend	trans	-69.5	131.8	175.9	0	0	0	0	0	111.1	L57 L76 L158 H160	L57-A78 HydrophobicContact CD2-CB 3.82Å; L76-A78 PolarHBondContact O-N 3.24Å; A78-L158 HydrophobicContact CB-CD2 4.09Å; A78-H160 PolarHBondContact O-CE1 2.88Å; A78-H160 PolarHBondContact O-NE2 3.4Å; A78-H160 VanDerWaalsContact O-NE2 3.16Å
79	K	69.7	Low	76.6	Confident	137 Å²	137	56.6 Å²	56.6	60%	0.596	28%	0.28	S	S	*	.	S	Bend	trans	47.9	65.9	174.1	-62.8	-174.7	175.8	-169.6	0	112.1	K77 I81 R82	K77-K79 PolarHBondContact O-N 2.99Å; K79-I81 PolarHBondContact O-N 3.07Å; K79-R82 HydrophobicContact CB-CG 4.07Å; K79-R82 WeakPolarHBondContact O-CB 3.41Å; K79-R82 PolarHBondContact O-N 3.12Å
80	P	65.9	Low	77.3	Confident	61 Å²	61	50.9 Å²	50.9	40%	0.396	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-55.7	-30.4	-170.1	21.6	-33.8	0	0	0	113.9	R82 T83 A84	P80-R82 PolarHBondContact O-N 2.87Å; P80-R82 VanDerWaalsContact O-N 3.08Å; P80-T83 PolarHBondContact O-N 3.13Å; P80-A84 PolarHBondContact O-N 3.38Å
81	I	69.1	Low	78	Confident	65 Å²	65	42.6 Å²	42.6	33%	0.333	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-52.2	-31	174.9	-60.7	169.2	0	0	0	112.4	K79 T83 A84 I411	K79-I81 PolarHBondContact O-N 3.07Å; I81-T83 PolarHBondContact O-N 3.49Å; I81-A84 PolarHBondContact O-N 2.85Å; I81-I411 HydrophobicContact CG1-CD1 4.38Å; I81-I411 HydrophobicContact CG1-CG2 4.33Å
82	R	69.3	Low	78.6	Confident	112 Å²	112	40.3 Å²	40.3	42%	0.423	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-62.1	-25.4	-177.1	-74.7	-176.1	167.3	176.6	-5.3	114.5	K79 P80	K79-R82 HydrophobicContact CB-CG 4.07Å; K79-R82 WeakPolarHBondContact O-CB 3.41Å; K79-R82 PolarHBondContact O-N 3.12Å; P80-R82 PolarHBondContact O-N 2.87Å; P80-R82 VanDerWaalsContact O-N 3.08Å
83	T	64.7	Low	79.2	Confident	4 Å²	4	40.1 Å²	40.1	3%	0.025	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-133.3	26.7	178.5	59	0	0	0	0	110.7	P80 I81 S85 G86 H160 V481	P80-T83 PolarHBondContact O-N 3.13Å; I81-T83 PolarHBondContact O-N 3.49Å; T83-S85 PolarHBondContact O-N 3.49Å; T83-G86 PolarHBondContact O-N 2.78Å; T83-H160 HydrophobicContact CG2-CB 4Å; T83-H160 VanDerWaalsContact CG2-ND1 3.34Å; T83-H160 WeakPolarHBondContact CG2-ND1 3.37Å; T83-H160 PolarHBondContact OG1-ND1 2.78Å; T83-V481 WeakPolarHBondContact O-CG2 3.29Å
84	A	61.2	Low	79.8	Confident	14 Å²	14	38.3 Å²	38.3	12%	0.116	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-34.4	179.1	0	0	0	0	0	111.3	P80 I81 G86 I411	P80-A84 PolarHBondContact O-N 3.38Å; I81-A84 PolarHBondContact O-N 2.85Å; A84-G86 PolarHBondContact O-N 2.92Å; A84-I411 HydrophobicContact CB-CD1 3.78Å
85	S	62.3	Low	80.4	Confident	22 Å²	22	38.4 Å²	38.4	15%	0.154	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-2.3	173	60.7	0	0	0	0	114.8	T83 I87	T83-S85 PolarHBondContact O-N 3.49Å; S85-I87 VanDerWaalsContact C-N 3.29Å; S85-I87 PolarHBondContact O-N 3.36Å
86	G	71.6	Confident	81.1	Confident	8 Å²	8	33.4 Å²	33.4	8%	0.082	18%	0.176	C	C	.	.	S	Bend	trans	72.2	18.3	-175.5	0	0	0	0	0	115.5	T83 A84	T83-G86 PolarHBondContact O-N 2.78Å; A84-G86 PolarHBondContact O-N 2.92Å
87	I	85.1	Confident	81.6	Confident	12 Å²	12	34.1 Å²	34.1	6%	0.062	18%	0.179	C	C	.	.			trans	-119.9	130.1	179.5	-61	165.3	0	0	0	109.3	S85 E166 I216 H476	S85-I87 VanDerWaalsContact C-N 3.29Å; S85-I87 PolarHBondContact O-N 3.36Å; I87-E166 HydrophobicContact CG2-CB 3.59Å; I87-I216 HydrophobicContact CB-CD1 4.19Å; I87-I216 HydrophobicContact CD1-CD1 3.43Å; I87-I216 VanDerWaalsContact CD1-CD1 3.43Å; I87-I216 HydrophobicContact CG1-CD1 3.48Å; I87-I216 VanDerWaalsContact CG1-CD1 3.48Å; I87-I216 HydrophobicContact CG2-CD1 3.66Å; I87-I216 HydrophobicContact CG2-CG1 4.29Å; I87-H476 VanDerWaalsContact CD1-CE1 3.45Å; I87-H476 WeakPolarHBondContact CD1-CE1 3.46Å
88	A	90.6	Very high	82.4	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	110.1	172.2	0	0	0	0	0	110.1	V90 L155 V162 K164 V165 E166	A88-V90 PolarHBondContact O-N 3.37Å; A88-L155 HydrophobicContact CB-CD1 4.06Å; A88-V162 HydrophobicContact CB-CB 4.29Å; A88-V162 HydrophobicContact CB-CG1 4.05Å; A88-K164 PolarHBondContact N-O 3.25Å; A88-V165 HydrophobicContact CB-CG2 4.33Å; A88-V165 WeakPolarHBondContact O-CA 3.41Å; A88-E166 PolarHBondContact O-N 2.89Å
89	V	92.6	Very high	83.3	Confident	55 Å²	55	38.4 Å²	38.4	33%	0.333	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	118.6	175.4	-177.8	0	0	0	0	110.1	E166 I168	V89-E166 WeakPolarHBondContact CA-O 3.41Å; V89-I168 HydrophobicContact CG1-CD1 3.45Å; V89-I168 VanDerWaalsContact CG1-CD1 3.45Å; V89-I168 HydrophobicContact CG1-CG1 3.94Å
90	V	96.4	Very high	84.5	Confident	0 Å²	0	33 Å²	33	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	100.6	179.2	178.1	0	0	0	0	108.7	A88 V92 R151 I152 L155 V165 E166 F167 I168	A88-V90 PolarHBondContact O-N 3.37Å; V90-V92 HydrophobicContact CG1-CG1 4.13Å; V90-R151 HydrophobicContact CB-CG 4.38Å; V90-R151 HydrophobicContact CG1-CB 4.09Å; V90-R151 HydrophobicContact CG1-CG 3.91Å; V90-R151 HydrophobicContact CG2-CG 4.09Å; V90-I152 HydrophobicContact CG2-CG1 4.21Å; V90-L155 HydrophobicContact CG2-CD1 4.4Å; V90-V165 HydrophobicContact CB-CG1 3.99Å; V90-V165 HydrophobicContact CG2-CG1 3.66Å; V90-E166 PolarHBondContact N-O 2.99Å; V90-F167 HydrophobicContact CB-CD1 3.89Å; V90-F167 HydrophobicContact CB-CE1 4.01Å; V90-F167 HydrophobicContact CG1-CD1 3.85Å; V90-F167 HydrophobicContact CG1-CE1 3.71Å; V90-F167 VanDerWaalsContact O-CA 3.3Å; V90-F167 WeakPolarHBondContact O-CA 3.49Å; V90-I168 PolarHBondContact O-N 3.03Å
91	A	96.1	Very high	85.8	Confident	19 Å²	19	30.1 Å²	30.1	16%	0.157	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	127.6	178.8	0	0	0	0	0	109.7	T133 I168 M170	A91-T133 HydrophobicContact CB-CG2 4.25Å; A91-T133 WeakPolarHBondContact O-CG2 3.43Å; A91-I168 WeakPolarHBondContact CA-O 3.34Å; A91-I168 HydrophobicContact CB-CB 4.19Å; A91-M170 HydrophobicContact CB-CE 3.32Å; A91-M170 HydrophobicContact CB-SD 4.04Å
92	V	97.1	Very high	87	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	151.4	-176.7	-63.5	0	0	0	0	109.8	V90 Q147 I168 V169 M170 F185 L189	V90-V92 HydrophobicContact CG1-CG1 4.13Å; V92-Q147 HydrophobicContact CG1-CB 4.03Å; V92-I168 PolarHBondContact N-O 3.28Å; V92-V169 HydrophobicContact CG2-CG2 4.24Å; V92-M170 PolarHBondContact O-N 3Å; V92-F185 HydrophobicContact CB-CZ 4.31Å; V92-F185 HydrophobicContact CG2-CE1 3.88Å; V92-F185 HydrophobicContact CG2-CZ 3.94Å; V92-L189 HydrophobicContact CG1-CD2 4.23Å; V92-L189 HydrophobicContact CG2-CD1 4.15Å; V92-L189 HydrophobicContact CG2-CD2 4.04Å
93	M	96.5	Very high	88.1	Confident	1 Å²	1	28.6 Å²	28.6	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	137.4	178.5	-68.8	180	163.3	0	0	110.7	Y127 T133 S134 A137 Y142 Q147 M170 F185	M93-Y127 HydrophobicContact CE-CD1 3.38Å; M93-Y127 HydrophobicContact CE-CD2 3.87Å; M93-Y127 HydrophobicContact CE-CE1 3.43Å; M93-Y127 VanDerWaalsContact CE-CE1 3.43Å; M93-Y127 HydrophobicContact CE-CE2 3.95Å; M93-Y127 HydrophobicContact CE-CG 3.61Å; M93-T133 HydrophobicContact CE-CG2 4.49Å; M93-T133 HydrophobicContact CG-CG2 4.48Å; M93-S134 VanDerWaalsContact CE-OG 3.28Å; M93-S134 WeakPolarHBondContact CE-OG 3.49Å; M93-S134 VanDerWaalsContact SD-CA 3.56Å; M93-A137 HydrophobicContact CB-CB 3.79Å; M93-A137 HydrophobicContact CG-CB 4.28Å; M93-A137 HydrophobicContact SD-CB 4.15Å; M93-Y142 HydrophobicContact CB-CD1 4.01Å; M93-Y142 HydrophobicContact CB-CE1 3.9Å; M93-Q147 PolarHBondContact O-NE2 3.11Å; M93-M170 HydrophobicContact CE-CB 4.41Å; M93-M170 HydrophobicContact CE-CE 3.93Å; M93-M170 HydrophobicContact CG-CB 4.05Å; M93-M170 HydrophobicContact CG-CE 4.06Å; M93-F185 WeakPolarHBondContact O-CE2 3.04Å
94	C	94.4	Very high	89.4	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-76.6	165.9	169.2	62.6	0	0	0	0	111	T124 Y142 F174 L177 Y181 F185	C94-T124 PolarHBondContact O-OG1 2.99Å; C94-Y142 WeakPolarHBondContact O-CD1 3.38Å; C94-F174 HydrophobicContact CB-CD2 3.78Å; C94-F174 HydrophobicContact CB-CE2 4.43Å; C94-L177 HydrophobicContact CB-CD1 4.2Å; C94-Y181 HydrophobicContact CB-CE1 4.22Å; C94-F185 HydrophobicContact CB-CE2 4.18Å; C94-F185 HydrophobicContact CB-CZ 4.36Å
95	K	93.4	Very high	91	Very high	81 Å²	81	36 Å²	36	35%	0.352	19%	0.191	S	C	.	.	P	Polyproline II helix	trans	-53.8	143.9	179.8	66.8	179.4	177.9	177.7	0	111.5	H97 L177 Y181	K95-H97 PolarHBondContact O-N 3.24Å; K95-H97 PolarHBondContact O-ND1 3.3Å; K95-L177 HydrophobicContact CG-CD1 4.41Å; K95-Y181 HydrophobicContact CB-CE2 4.44Å; K95-Y181 WeakPolarHBondContact CB-OH 3.17Å; K95-Y181 HydrophobicContact CD-CD2 4.09Å; K95-Y181 HydrophobicContact CD-CE1 4.38Å; K95-Y181 HydrophobicContact CD-CE2 3.66Å; K95-Y181 HydrophobicContact CG-CE1 4.08Å; K95-Y181 HydrophobicContact CG-CE2 4.02Å; K95-Y181 PolarHBondContact N-OH 3.1Å
96	P	94.4	Very high	92.5	Very high	31 Å²	31	37.4 Å²	37.4	20%	0.201	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-53.9	130.3	167.9	-27.3	36.5	0	0	0	110.9	P116 S123 Y142	P96-P116 HydrophobicContact CB-CG 4.34Å; P96-S123 WeakPolarHBondContact CB-O 3.43Å; P96-Y142 VanDerWaalsContact CD-CE2 3.42Å; P96-Y142 HydrophobicContact CG-CD2 4.2Å; P96-Y142 HydrophobicContact CG-CE1 4.32Å; P96-Y142 HydrophobicContact CG-CE2 3.54Å
97	H	93.5	Very high	93.4	Very high	26 Å²	26	42.6 Å²	42.6	12%	0.12	24%	0.235	C	C	.	.			trans	-155.2	158.5	176.9	61.6	-77.4	0	0	0	109.4	K95 T173 L177	K95-H97 PolarHBondContact O-N 3.24Å; K95-H97 PolarHBondContact O-ND1 3.3Å; H97-T173 PolarHBondContact CE1-OG1 2.97Å; H97-T173 WeakPolarHBondContact NE2-CB 3.47Å; H97-T173 PolarHBondContact NE2-O 2.85Å; H97-T173 PolarHBondContact NE2-OG1 2.82Å; H97-L177 HydrophobicContact CB-CD2 3.91Å
98	R	92.8	Very high	93.8	Very high	150 Å²	150	44.4 Å²	44.4	57%	0.566	24%	0.244	S	C	*	.			trans	-72.4	143.6	178.8	-69.3	-177	173.9	152.9	0.4	110.7	I102 P116 D117	R98-I102 HydrophobicContact CB-CG2 4.46Å; R98-P116 HydrophobicContact CG-CB 4.47Å; R98-P116 HydrophobicContact CG-CG 4.39Å; R98-D117 WeakPolarHBondContact CD-OD2 3.44Å; R98-D117 WeakPolarHBondContact CG-OD2 3.36Å; R98-D117 IonicContact CZ-OD1 3.07Å; R98-D117 VanDerWaalsContact CZ-OD1 3.25Å; R98-D117 IonicContact CZ-OD2 3.32Å; R98-D117 VanDerWaalsContact NE-CG 3.31Å; R98-D117 IonicContact NE-OD1 3.54Å; R98-D117 PolarHBondContact NE-OD1 3.27Å; R98-D117 IonicContact NE-OD2 3.25Å; R98-D117 PolarHBondContact NE-OD2 3.44Å; R98-D117 IonicContact NH2-OD1 2.72Å; R98-D117 PolarHBondContact NH2-OD1 2.91Å; R98-D117 IonicContact NH2-OD2 3.75Å
99	C	93.1	Very high	94	Very high	8 Å²	8	44.7 Å²	44.7	5%	0.054	25%	0.246	C	C	.	.			trans	-66.3	134.3	173.4	-162.9	0	0	0	0	109.6	H101 I102 I108 Q125 T173	C99-H101 VanDerWaalsContact C-N 3.27Å; C99-H101 PolarHBondContact O-N 3.43Å; C99-H101 PolarHBondContact SG-CE1 3.29Å; C99-H101 PolarHBondContact SG-ND1 2.87Å; C99-I102 WeakPolarHBondContact O-CG2 3.34Å; C99-I102 PolarHBondContact O-N 3.09Å; C99-I108 HydrophobicContact CB-CG2 4.49Å; C99-Q125 HydrophobicContact CB-CG 4.49Å; C99-T173 HydrophobicContact CB-CG2 4.42Å; C99-T173 VanDerWaalsContact SG-CG2 3.51Å
100	P	93.6	Very high	94.2	Very high	24 Å²	24	43.5 Å²	43.5	16%	0.156	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-25.6	-169.2	24.2	-35.6	0	0	0	114.4	I102 S103 A176 Y226	P100-I102 PolarHBondContact O-N 3.4Å; P100-S103 PolarHBondContact O-N 2.96Å; P100-S103 PolarHBondContact O-OG 3.17Å; P100-A176 HydrophobicContact CB-CB 4.17Å; P100-A176 HydrophobicContact CG-CB 3.74Å; P100-Y226 HydrophobicContact CB-CE2 3.95Å; P100-Y226 WeakPolarHBondContact CB-OH 2.98Å; P100-Y226 HydrophobicContact CG-CD2 4.21Å; P100-Y226 HydrophobicContact CG-CE2 3.29Å; P100-Y226 WeakPolarHBondContact CG-OH 3.39Å
101	H	94.3	Very high	94.1	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-18.8	-178.4	71.2	-77.7	0	0	0	114.3	C99 S103 F104 T105 N259	C99-H101 VanDerWaalsContact C-N 3.27Å; C99-H101 PolarHBondContact O-N 3.43Å; C99-H101 PolarHBondContact SG-CE1 3.29Å; C99-H101 PolarHBondContact SG-ND1 2.87Å; H101-S103 PolarHBondContact O-N 2.82Å; H101-F104 VanDerWaalsContact CA-CZ 3.5Å; H101-F104 HydrophobicContact CB-CE1 3.8Å; H101-F104 HydrophobicContact CB-CE2 3.72Å; H101-F104 HydrophobicContact CB-CZ 3.3Å; H101-F104 WeakPolarHBondContact O-CG 3.33Å; H101-F104 PolarHBondContact O-N 3.04Å; H101-T105 HydrophobicContact CB-CG2 4.29Å; H101-T105 PolarHBondContact CD2-OG1 3.25Å; H101-T105 PolarHBondContact O-N 3.01Å; H101-T105 PolarHBondContact O-OG1 3.24Å; H101-N259 PolarHBondContact NE2-O 2.94Å
102	I	93.9	Very high	94	Very high	43 Å²	43	43.8 Å²	43.8	22%	0.221	24%	0.238	C	C	.	.	H	α-helix	trans	-54.7	-29.2	178.3	-161.1	173.2	0	0	0	112.5	R98 C99 P100 F104 G106 I108	R98-I102 HydrophobicContact CB-CG2 4.46Å; C99-I102 WeakPolarHBondContact O-CG2 3.34Å; C99-I102 PolarHBondContact O-N 3.09Å; P100-I102 PolarHBondContact O-N 3.4Å; I102-F104 VanDerWaalsContact C-N 3.25Å; I102-F104 PolarHBondContact O-N 2.86Å; I102-G106 VanDerWaalsContact O-CA 3.3Å; I102-G106 WeakPolarHBondContact O-CA 3.39Å; I102-G106 PolarHBondContact O-N 3.47Å; I102-I108 HydrophobicContact CD1-CG2 4.34Å
103	S	92.3	Very high	93.8	Very high	101 Å²	101	43.9 Å²	43.9	71%	0.706	24%	0.238	S	C	*	.	H	α-helix	trans	-66	-26	-180	62.6	0	0	0	0	113.5	P100 H101	P100-S103 PolarHBondContact O-N 2.96Å; P100-S103 PolarHBondContact O-OG 3.17Å; H101-S103 PolarHBondContact O-N 2.82Å
104	F	93	Very high	93.5	Very high	133 Å²	133	44 Å²	44	58%	0.583	24%	0.24	S	C	*	.	H	α-helix	trans	-119.8	-19.4	-177.7	59.3	-103	0	0	0	114.1	H101 I102	H101-F104 VanDerWaalsContact CA-CZ 3.5Å; H101-F104 HydrophobicContact CB-CE1 3.8Å; H101-F104 HydrophobicContact CB-CE2 3.72Å; H101-F104 HydrophobicContact CB-CZ 3.3Å; H101-F104 WeakPolarHBondContact O-CG 3.33Å; H101-F104 PolarHBondContact O-N 3.04Å; I102-F104 VanDerWaalsContact C-N 3.25Å; I102-F104 PolarHBondContact O-N 2.86Å
105	T	94.3	Very high	93.3	Very high	42 Å²	42	44.1 Å²	44.1	26%	0.258	24%	0.241	S	C	.	.	H	α-helix	trans	-96.7	-12.1	173.1	60.1	0	0	0	0	113.6	H101 N107 N259	H101-T105 HydrophobicContact CB-CG2 4.29Å; H101-T105 PolarHBondContact CD2-OG1 3.25Å; H101-T105 PolarHBondContact O-N 3.01Å; H101-T105 PolarHBondContact O-OG1 3.24Å; T105-N107 PolarHBondContact O-N 3.46Å; T105-N107 VanDerWaalsContact O-N 3.1Å; T105-N107 PolarHBondContact OG1-O 3.27Å; T105-N259 WeakPolarHBondContact CB-OD1 3.36Å; T105-N259 WeakPolarHBondContact CG2-OD1 3.42Å
106	G	93.2	Very high	93.1	Very high	51 Å²	51	43.1 Å²	43.1	53%	0.526	24%	0.243	S	C	.	.	S	Bend	trans	79.2	-27.3	-177.8	0	0	0	0	0	115	I102	I102-G106 VanDerWaalsContact O-CA 3.3Å; I102-G106 WeakPolarHBondContact O-CA 3.39Å; I102-G106 PolarHBondContact O-N 3.47Å
107	N	91.6	Very high	92.8	Very high	116 Å²	116	45.8 Å²	45.8	62%	0.62	26%	0.255	S	S	*	.	S	Bend	trans	-142	167.1	-178.7	-73.4	-49	0	0	0	112.2	T105 N259	T105-N107 PolarHBondContact O-N 3.46Å; T105-N107 VanDerWaalsContact O-N 3.1Å; T105-N107 PolarHBondContact OG1-O 3.27Å; N107-N259 PolarHBondContact O-ND2 3.23Å
108	I	92.2	Very high	92.6	Very high	50 Å²	50	46.2 Å²	46.2	26%	0.256	26%	0.261	S	S	.	.			trans	-76.4	174.7	171.6	61.3	170.8	0	0	0	112.5	C99 I102 C112 N259	C99-I108 HydrophobicContact CB-CG2 4.49Å; I102-I108 HydrophobicContact CD1-CG2 4.34Å; I108-C112 HydrophobicContact CD1-CB 4.46Å; I108-N259 PolarHBondContact O-ND2 2.94Å; I108-N259 VanDerWaalsContact O-ND2 3.11Å
109	C	95.4	Very high	92.3	Very high	7 Å²	7	44.9 Å²	44.9	5%	0.047	27%	0.265	C	S	.	.			trans	-63.3	142	176.9	-46.4	0	0	0	0	111.9	Y111 C112 T258 N259 R260	C109-Y111 VanDerWaalsContact C-N 3.31Å; C109-Y111 HydrophobicContact CB-CE1 4.45Å; C109-Y111 HydrophobicContact CB-CE2 4.37Å; C109-Y111 PolarHBondContact O-N 3.45Å; C109-Y111 VanDerWaalsContact O-N 3.17Å; C109-C112 HydrophobicContact CB-CB 4.1Å; C109-C112 WeakPolarHBondContact O-CB 3.23Å; C109-C112 PolarHBondContact O-N 3.03Å; C109-T258 WeakPolarHBondContact CA-O 3.47Å; C109-N259 PolarHBondContact SG-O 3.44Å; C109-R260 PolarHBondContact SG-NH1 2.8Å; C109-R260 VanDerWaalsContact SG-NH1 3.45Å
110	V	96.8	Very high	92.1	Very high	29 Å²	29	45.9 Å²	45.9	18%	0.176	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-39.2	-170.2	171.6	0	0	0	0	113.8	T258 G327 L328 L331	V110-T258 WeakPolarHBondContact CG2-O 3.27Å; V110-T258 PolarHBondContact N-O 3.3Å; V110-G327 CarbonylContact O-C 3.58Å; V110-G327 WeakPolarHBondContact O-CA 3.27Å; V110-G327 PolarHBondContact O-N 2.66Å; V110-L328 HydrophobicContact CG1-CB 4.13Å; V110-L328 PolarHBondContact O-N 3.3Å; V110-L331 HydrophobicContact CG1-CD1 4.12Å
111	Y	95.2	Very high	91.6	Very high	13 Å²	13	53.3 Å²	53.3	5%	0.051	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	3.1	-176.6	53.1	-101.1	0	0	0	114	C109 P113 Q248 T258 R260 M286 L289	C109-Y111 VanDerWaalsContact C-N 3.31Å; C109-Y111 HydrophobicContact CB-CE1 4.45Å; C109-Y111 HydrophobicContact CB-CE2 4.37Å; C109-Y111 PolarHBondContact O-N 3.45Å; C109-Y111 VanDerWaalsContact O-N 3.17Å; Y111-P113 VanDerWaalsContact O-CD 3.25Å; Y111-P113 WeakPolarHBondContact O-CD 3.29Å; Y111-Q248 WeakPolarHBondContact OH-CG 3.37Å; Y111-T258 HydrophobicContact CD1-CG2 4.33Å; Y111-T258 HydrophobicContact CE1-CG2 4.22Å; Y111-R260 WeakPolarHBondContact OH-CD 3.33Å; Y111-M286 HydrophobicContact CD2-CE 3.7Å; Y111-M286 HydrophobicContact CD2-SD 3.94Å; Y111-M286 HydrophobicContact CE2-CE 4.08Å; Y111-M286 HydrophobicContact CE2-SD 3.68Å; Y111-M286 HydrophobicContact CG-CE 4.01Å; Y111-L289 HydrophobicContact CD1-CD2 3.66Å; Y111-L289 HydrophobicContact CE1-CD2 3.88Å; Y111-L289 HydrophobicContact CG-CD2 4.31Å
112	C	94.3	Very high	91.3	Very high	13 Å²	13	59.3 Å²	59.3	9%	0.088	33%	0.325	C	S	.	.			trans	-84.8	113.5	-170.9	-166.9	0	0	0	0	111.4	I108 C109 Q125 S126	I108-C112 HydrophobicContact CD1-CB 4.46Å; C109-C112 HydrophobicContact CB-CB 4.1Å; C109-C112 WeakPolarHBondContact O-CB 3.23Å; C109-C112 PolarHBondContact O-N 3.03Å; C112-Q125 PolarHBondContact SG-NE2 2.92Å; C112-S126 PolarHBondContact SG-OG 3.18Å
113	P	92.3	Very high	91.1	Very high	2 Å²	2	57.3 Å²	57.3	1%	0.013	32%	0.315	C	S	.	.			trans	-81.1	166	176.1	36.5	-38.2	0	0	0	111.6	Y111 S126 T128 I323 T326	Y111-P113 VanDerWaalsContact O-CD 3.25Å; Y111-P113 WeakPolarHBondContact O-CD 3.29Å; P113-S126 CarbonylContact O-C 3.55Å; P113-S126 WeakPolarHBondContact O-CA 3.42Å; P113-S126 PolarHBondContact O-N 3.15Å; P113-T128 HydrophobicContact CB-CG2 4.43Å; P113-I323 HydrophobicContact CB-CB 4.26Å; P113-I323 HydrophobicContact CB-CD1 3.85Å; P113-I323 HydrophobicContact CB-CG2 3.98Å; P113-I323 HydrophobicContact CG-CD1 3.77Å; P113-T326 HydrophobicContact CB-CG2 4Å
114	G	90.2	Very high	90.9	Very high	4 Å²	4	52.6 Å²	52.6	4%	0.041	28%	0.282	C	S	.	.			trans	68.2	-165	168.5	0	0	0	0	0	114.8	S118 Q125 Y127	G114-S118 WeakPolarHBondContact CA-OG 3.3Å; G114-S118 WeakPolarHBondContact O-CB 3.19Å; G114-Q125 PolarHBondContact O-NE2 3.11Å; G114-Y127 WeakPolarHBondContact CA-O 3.26Å
115	G	89.8	Confident	90.7	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.01	26%	0.255	C	S	.	.	S	Bend	trans	91.8	176.4	-177.2	0	0	0	0	0	113.4	D117 S118 S123	G115-D117 PolarHBondContact O-N 3.43Å; G115-S118 PolarHBondContact N-OG 3.42Å; G115-S118 PolarHBondContact O-N 2.94Å; G115-S118 PolarHBondContact O-OG 3.49Å; G115-S123 WeakPolarHBondContact CA-O 3.28Å; G115-S123 PolarHBondContact N-OG 3.23Å
116	P	89.4	Confident	90.5	Very high	61 Å²	61	46 Å²	46	40%	0.396	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-26.7	-171.5	-24.9	34.9	0	0	0	115.2	P96 R98	P96-P116 HydrophobicContact CB-CG 4.34Å; R98-P116 HydrophobicContact CG-CB 4.47Å; R98-P116 HydrophobicContact CG-CG 4.39Å
117	D	88.4	Confident	90.4	Very high	87 Å²	87	45.4 Å²	45.4	47%	0.465	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	27.7	-176.3	-54.6	-47.9	0	0	0	111.9	R98 G115	R98-D117 WeakPolarHBondContact CD-OD2 3.44Å; R98-D117 WeakPolarHBondContact CG-OD2 3.36Å; R98-D117 IonicContact CZ-OD1 3.07Å; R98-D117 VanDerWaalsContact CZ-OD1 3.25Å; R98-D117 IonicContact CZ-OD2 3.32Å; R98-D117 VanDerWaalsContact NE-CG 3.31Å; R98-D117 IonicContact NE-OD1 3.54Å; R98-D117 PolarHBondContact NE-OD1 3.27Å; R98-D117 IonicContact NE-OD2 3.25Å; R98-D117 PolarHBondContact NE-OD2 3.44Å; R98-D117 IonicContact NH2-OD1 2.72Å; R98-D117 PolarHBondContact NH2-OD1 2.91Å; R98-D117 IonicContact NH2-OD2 3.75Å; G115-D117 PolarHBondContact O-N 3.43Å
118	S	89.3	Confident	90.4	Very high	34 Å²	34	39.9 Å²	39.9	24%	0.238	21%	0.206	C	C	.	.	S	Bend	trans	-122.7	166.3	-178	76.8	0	0	0	0	112.4	G114 G115 F120	G114-S118 WeakPolarHBondContact CA-OG 3.3Å; G114-S118 WeakPolarHBondContact O-CB 3.19Å; G115-S118 PolarHBondContact N-OG 3.42Å; G115-S118 PolarHBondContact O-N 2.94Å; G115-S118 PolarHBondContact O-OG 3.49Å; S118-F120 PolarHBondContact O-N 3.26Å; S118-F120 VanDerWaalsContact O-N 3.14Å; S118-F120 PolarHBondContact OG-N 3.34Å
119	D	86.8	Confident	90.4	Very high	123 Å²	123	37.9 Å²	37.9	66%	0.658	20%	0.197	S	C	*	.	S	Bend	trans	-66.1	-9.4	174	-66	-12.4	0	0	0	113.4	E121	D119-E121 PolarHBondContact O-N 3.28Å
120	F	87.9	Confident	90.3	Very high	29 Å²	29	44.1 Å²	44.1	13%	0.127	22%	0.22	C	C	.	.	S	Bend	trans	-87.4	102	-179.6	-66.6	-76.6	0	0	0	111.1	S118 Y122 S123 T128 Y130 I323 L373	S118-F120 PolarHBondContact O-N 3.26Å; S118-F120 VanDerWaalsContact O-N 3.14Å; S118-F120 PolarHBondContact OG-N 3.34Å; F120-Y122 PolarHBondContact O-N 3.46Å; F120-S123 WeakPolarHBondContact CB-OG 3.27Å; F120-S123 PolarHBondContact O-N 2.84Å; F120-S123 PolarHBondContact O-OG 3.42Å; F120-T128 HydrophobicContact CD1-CG2 4.5Å; F120-T128 WeakPolarHBondContact CD1-O 3.39Å; F120-T128 HydrophobicContact CE1-CG2 4.02Å; F120-T128 HydrophobicContact CE2-CG2 4.27Å; F120-T128 HydrophobicContact CZ-CG2 3.89Å; F120-Y130 HydrophobicContact CD1-CD2 4.37Å; F120-Y130 HydrophobicContact CD1-CE2 4.08Å; F120-Y130 HydrophobicContact CE1-CD2 4.43Å; F120-Y130 HydrophobicContact CE1-CE2 4.27Å; F120-I323 HydrophobicContact CE2-CG2 4.12Å; F120-I323 HydrophobicContact CZ-CG2 4Å; F120-L373 HydrophobicContact CE1-CD1 4.37Å; F120-L373 HydrophobicContact CE1-CD2 4.46Å
121	E	84.2	Confident	90.1	Very high	179 Å²	179	43 Å²	43	84%	0.836	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.5	128.4	-178	-67.4	-172.5	174.5	0	0	113.1	D119 S123	D119-E121 PolarHBondContact O-N 3.28Å; E121-S123 PolarHBondContact O-N 3.44Å
122	Y	86.3	Confident	89.9	Confident	128 Å²	128	45.8 Å²	45.8	50%	0.502	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	31.2	171.4	-155.3	-121.1	0	0	0	114.5	F120 I138 Y142	F120-Y122 PolarHBondContact O-N 3.46Å; Y122-I138 HydrophobicContact CD1-CG1 4.2Å; Y122-I138 HydrophobicContact CD1-CG2 4.14Å; Y122-Y142 HydrophobicContact CD1-CD2 4.26Å; Y122-Y142 AromaticContact CD1-CE2 3.58Å; Y122-Y142 HydrophobicContact CD1-CE2 3.58Å; Y122-Y142 AromaticContact CE1-CD2 3.53Å; Y122-Y142 HydrophobicContact CE1-CD2 3.53Å; Y122-Y142 AromaticContact CE1-CE2 3.34Å; Y122-Y142 HydrophobicContact CE1-CE2 3.34Å; Y122-Y142 HydrophobicContact CG-CE2 4.3Å; Y122-Y142 AromaticContact CZ-CD2 3.79Å; Y122-Y142 AromaticContact CZ-CE2 3.87Å; Y122-Y142 PolarHBondContact O-OH 3.44Å
123	S	89.5	Confident	89.8	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.007	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-93.8	144.3	-179	67.7	0	0	0	0	113	P96 G115 F120 E121 Y127	P96-S123 WeakPolarHBondContact CB-O 3.43Å; G115-S123 WeakPolarHBondContact CA-O 3.28Å; G115-S123 PolarHBondContact N-OG 3.23Å; F120-S123 WeakPolarHBondContact CB-OG 3.27Å; F120-S123 PolarHBondContact O-N 2.84Å; F120-S123 PolarHBondContact O-OG 3.42Å; E121-S123 PolarHBondContact O-N 3.44Å; S123-Y127 WeakPolarHBondContact CB-O 3.14Å; S123-Y127 PolarHBondContact OG-O 3.22Å
124	T	89.5	Confident	89.9	Confident	2 Å²	2	46.2 Å²	46.2	1%	0.012	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-72.9	148.9	170.7	-49.1	0	0	0	0	110.3	C94 S126 Y127 Y142	C94-T124 PolarHBondContact O-OG1 2.99Å; T124-S126 PolarHBondContact O-N 2.78Å; T124-Y127 WeakPolarHBondContact O-CB 3.22Å; T124-Y127 PolarHBondContact O-N 3.05Å; T124-Y142 WeakPolarHBondContact OG1-CE1 3.5Å; T124-Y142 PolarHBondContact OG1-OH 3.06Å
125	Q	89.3	Confident	90.1	Very high	6 Å²	6	50.7 Å²	50.7	3%	0.028	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	135.9	177	-168.2	67	60.4	0	0	112.2	C99 C112 G114 Y127	C99-Q125 HydrophobicContact CB-CG 4.49Å; C112-Q125 PolarHBondContact SG-NE2 2.92Å; G114-Q125 PolarHBondContact O-NE2 3.11Å; Q125-Y127 VanDerWaalsContact C-N 3.29Å; Q125-Y127 VanDerWaalsContact O-CD2 3.31Å; Q125-Y127 WeakPolarHBondContact O-CD2 3.48Å
126	S	89.1	Confident	90.3	Very high	30 Å²	30	53.7 Å²	53.7	21%	0.21	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.3	3.2	-175.9	-38.5	0	0	0	0	115.7	C112 P113 T124	C112-S126 PolarHBondContact SG-OG 3.18Å; P113-S126 CarbonylContact O-C 3.55Å; P113-S126 WeakPolarHBondContact O-CA 3.42Å; P113-S126 PolarHBondContact O-N 3.15Å; T124-S126 PolarHBondContact O-N 2.78Å
127	Y	91.8	Very high	90.6	Very high	38 Å²	38	50.8 Å²	50.8	15%	0.149	25%	0.248	C	C	.	.			trans	-127.3	146.1	-178.8	-64.8	-86.5	0	0	0	110.9	M93 G114 S123 T124 Q125 E131 M170 E221	M93-Y127 HydrophobicContact CE-CD1 3.38Å; M93-Y127 HydrophobicContact CE-CD2 3.87Å; M93-Y127 HydrophobicContact CE-CE1 3.43Å; M93-Y127 VanDerWaalsContact CE-CE1 3.43Å; M93-Y127 HydrophobicContact CE-CE2 3.95Å; M93-Y127 HydrophobicContact CE-CG 3.61Å; G114-Y127 WeakPolarHBondContact CA-O 3.26Å; S123-Y127 WeakPolarHBondContact CB-O 3.14Å; S123-Y127 PolarHBondContact OG-O 3.22Å; T124-Y127 WeakPolarHBondContact O-CB 3.22Å; T124-Y127 PolarHBondContact O-N 3.05Å; Q125-Y127 VanDerWaalsContact C-N 3.29Å; Q125-Y127 VanDerWaalsContact O-CD2 3.31Å; Q125-Y127 WeakPolarHBondContact O-CD2 3.48Å; Y127-E131 HydrophobicContact CD1-CG 4.46Å; Y127-M170 HydrophobicContact CE2-CB 4.41Å; Y127-E221 PolarHBondContact OH-OE2 3.27Å
128	T	91.9	Very high	90.9	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.006	24%	0.239	C	C	.	.			trans	-87.8	-12.9	-177.2	63.1	0	0	0	0	113.6	P113 F120 Y130 E131 I369 L373	P113-T128 HydrophobicContact CB-CG2 4.43Å; F120-T128 HydrophobicContact CD1-CG2 4.5Å; F120-T128 WeakPolarHBondContact CD1-O 3.39Å; F120-T128 HydrophobicContact CE1-CG2 4.02Å; F120-T128 HydrophobicContact CE2-CG2 4.27Å; F120-T128 HydrophobicContact CZ-CG2 3.89Å; T128-Y130 VanDerWaalsContact C-N 3.26Å; T128-Y130 WeakPolarHBondContact O-CD2 3.39Å; T128-Y130 PolarHBondContact O-N 3.42Å; T128-Y130 PolarHBondContact OG1-N 3Å; T128-E131 WeakPolarHBondContact CB-OE1 3.17Å; T128-E131 PolarHBondContact N-OE1 2.77Å; T128-E131 PolarHBondContact N-OE2 3.18Å; T128-E131 PolarHBondContact OG1-OE1 3.06Å; T128-E131 PolarHBondContact OG1-OE2 3.28Å; T128-I369 HydrophobicContact CG2-CG2 4.41Å; T128-L373 HydrophobicContact CG2-CD1 3.98Å; T128-L373 WeakPolarHBondContact OG1-CD1 3.24Å
129	G	92.1	Very high	91.2	Very high	7 Å²	7	58 Å²	58	7%	0.072	27%	0.267	C	S	.	.	S	Bend	trans	90.7	-19.2	-175	0	0	0	0	0	113.6	E131 M135	G129-E131 PolarHBondContact N-OE2 2.79Å; G129-M135 VanDerWaalsContact O-CG 3.22Å; G129-M135 WeakPolarHBondContact O-CG 3.2Å; G129-M135 PolarHBondContact O-N 2.81Å
130	Y	92.8	Very high	91.7	Very high	138 Å²	138	52.4 Å²	52.4	54%	0.541	24%	0.238	S	C	.	.			trans	-93.1	-2.9	-178.9	-63.7	-78.3	0	0	0	113.8	F120 T128 M135 L373	F120-Y130 HydrophobicContact CD1-CD2 4.37Å; F120-Y130 HydrophobicContact CD1-CE2 4.08Å; F120-Y130 HydrophobicContact CE1-CD2 4.43Å; F120-Y130 HydrophobicContact CE1-CE2 4.27Å; T128-Y130 VanDerWaalsContact C-N 3.26Å; T128-Y130 WeakPolarHBondContact O-CD2 3.39Å; T128-Y130 PolarHBondContact O-N 3.42Å; T128-Y130 PolarHBondContact OG1-N 3Å; Y130-M135 WeakPolarHBondContact O-CE 3.39Å; Y130-L373 HydrophobicContact CD2-CD1 3.65Å; Y130-L373 HydrophobicContact CD2-CD2 4.48Å; Y130-L373 HydrophobicContact CG-CD1 4.13Å
131	E	92.2	Very high	92.1	Very high	7 Å²	7	60.6 Å²	60.6	3%	0.033	27%	0.268	C	S	.	.	S	Bend	trans	-68.6	147.1	172.9	-52.9	80.7	-174.2	0	0	110	Y127 T128 G129 T133 S134 M135 D368	Y127-E131 HydrophobicContact CD1-CG 4.46Å; T128-E131 WeakPolarHBondContact CB-OE1 3.17Å; T128-E131 PolarHBondContact N-OE1 2.77Å; T128-E131 PolarHBondContact N-OE2 3.18Å; T128-E131 PolarHBondContact OG1-OE1 3.06Å; T128-E131 PolarHBondContact OG1-OE2 3.28Å; G129-E131 PolarHBondContact N-OE2 2.79Å; E131-T133 PolarHBondContact O-N 3.12Å; E131-S134 PolarHBondContact O-N 2.66Å; E131-S134 VanDerWaalsContact OE2-CB 3.27Å; E131-S134 WeakPolarHBondContact OE2-CB 3.36Å; E131-S134 PolarHBondContact OE2-OG 3.28Å; E131-M135 PolarHBondContact O-N 2.73Å; E131-D368 WeakPolarHBondContact CG-O 3.48Å
132	P	91.3	Very high	92.6	Very high	71 Å²	71	52.4 Å²	52.4	46%	0.461	23%	0.229	S	C	.	.	H	α-helix	trans	-52.3	-34.6	-179.7	-30.3	36.1	0	0	0	114.3	R136	P132-R136 VanDerWaalsContact C-NH1 3.26Å; P132-R136 WeakPolarHBondContact O-CG 3.46Å; P132-R136 PolarHBondContact O-N 3.17Å; P132-R136 PolarHBondContact O-NH1 3.04Å
133	T	92.9	Very high	93.2	Very high	22 Å²	22	48.4 Å²	48.4	14%	0.135	22%	0.217	C	C	.	.	H	α-helix	trans	-78.1	-41.9	177.4	-51.7	0	0	0	0	112.5	A91 M93 E131 M135 R136 A137 M170	A91-T133 HydrophobicContact CB-CG2 4.25Å; A91-T133 WeakPolarHBondContact O-CG2 3.43Å; M93-T133 HydrophobicContact CE-CG2 4.49Å; M93-T133 HydrophobicContact CG-CG2 4.48Å; E131-T133 PolarHBondContact O-N 3.12Å; T133-M135 PolarHBondContact O-N 3.08Å; T133-R136 PolarHBondContact O-N 2.78Å; T133-R136 VanDerWaalsContact O-N 3.16Å; T133-R136 PolarHBondContact OG1-NH2 3.44Å; T133-A137 PolarHBondContact O-N 3.46Å; T133-M170 HydrophobicContact CG2-CE 3.23Å
134	S	93.7	Very high	93.6	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.007	22%	0.217	C	C	.	.	H	α-helix	trans	-58.7	-46.6	175.4	-45.9	0	0	0	0	111.8	M93 E131 R136 A137 I138	M93-S134 VanDerWaalsContact CE-OG 3.28Å; M93-S134 WeakPolarHBondContact CE-OG 3.49Å; M93-S134 VanDerWaalsContact SD-CA 3.56Å; E131-S134 PolarHBondContact O-N 2.66Å; E131-S134 VanDerWaalsContact OE2-CB 3.27Å; E131-S134 WeakPolarHBondContact OE2-CB 3.36Å; E131-S134 PolarHBondContact OE2-OG 3.28Å; S134-R136 VanDerWaalsContact C-N 3.27Å; S134-R136 PolarHBondContact O-N 3.38Å; S134-A137 WeakPolarHBondContact O-CB 3.09Å; S134-A137 PolarHBondContact O-N 2.83Å; S134-I138 WeakPolarHBondContact O-CG1 3.34Å; S134-I138 PolarHBondContact O-N 3.05Å
135	M	94.2	Very high	94	Very high	98 Å²	98	51.3 Å²	51.3	48%	0.483	23%	0.229	S	C	.	.	H	α-helix	trans	-59.1	-37.3	176.5	-69.3	-168.4	-76.6	0	0	112.7	G129 Y130 E131 T133 R139	G129-M135 VanDerWaalsContact O-CG 3.22Å; G129-M135 WeakPolarHBondContact O-CG 3.2Å; G129-M135 PolarHBondContact O-N 2.81Å; Y130-M135 WeakPolarHBondContact O-CE 3.39Å; E131-M135 PolarHBondContact O-N 2.73Å; T133-M135 PolarHBondContact O-N 3.08Å; M135-R139 WeakPolarHBondContact O-CB 3.27Å; M135-R139 PolarHBondContact O-N 2.76Å
136	R	94.6	Very high	94.4	Very high	64 Å²	64	54.2 Å²	54.2	24%	0.242	25%	0.245	C	C	.	.	H	α-helix	trans	-69.1	-39.9	175.1	-72.6	-170.5	-51.3	-84.6	0.5	111.7	P132 T133 S134 R139 A140	P132-R136 VanDerWaalsContact C-NH1 3.26Å; P132-R136 WeakPolarHBondContact O-CG 3.46Å; P132-R136 PolarHBondContact O-N 3.17Å; P132-R136 PolarHBondContact O-NH1 3.04Å; T133-R136 PolarHBondContact O-N 2.78Å; T133-R136 VanDerWaalsContact O-N 3.16Å; T133-R136 PolarHBondContact OG1-NH2 3.44Å; S134-R136 VanDerWaalsContact C-N 3.27Å; S134-R136 PolarHBondContact O-N 3.38Å; R136-R139 PolarHBondContact O-N 2.96Å; R136-A140 WeakPolarHBondContact O-CB 3.26Å; R136-A140 PolarHBondContact O-N 2.9Å
137	A	95.5	Very high	94.8	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-64	-46.7	177.3	0	0	0	0	0	111.3	M93 T133 S134 R139 A140 R141 Y142	M93-A137 HydrophobicContact CB-CB 3.79Å; M93-A137 HydrophobicContact CG-CB 4.28Å; M93-A137 HydrophobicContact SD-CB 4.15Å; T133-A137 PolarHBondContact O-N 3.46Å; S134-A137 WeakPolarHBondContact O-CB 3.09Å; S134-A137 PolarHBondContact O-N 2.83Å; A137-R139 PolarHBondContact O-N 3.06Å; A137-A140 CarbonylContact O-C 3.52Å; A137-A140 PolarHBondContact O-N 3.36Å; A137-A140 VanDerWaalsContact O-N 3.13Å; A137-R141 PolarHBondContact O-N 2.77Å; A137-Y142 HydrophobicContact CB-CD1 3.77Å; A137-Y142 HydrophobicContact CB-CE1 3.63Å; A137-Y142 PolarHBondContact O-N 3.48Å
138	I	95.3	Very high	95	Very high	53 Å²	53	51.6 Å²	51.6	27%	0.272	23%	0.231	S	C	.	.	H	α-helix	trans	-58.1	-48.2	175.5	-68.5	166.9	0	0	0	110.8	Y122 S134 A140 R141 Y142	Y122-I138 HydrophobicContact CD1-CG1 4.2Å; Y122-I138 HydrophobicContact CD1-CG2 4.14Å; S134-I138 WeakPolarHBondContact O-CG1 3.34Å; S134-I138 PolarHBondContact O-N 3.05Å; I138-A140 PolarHBondContact O-N 2.55Å; I138-R141 WeakPolarHBondContact O-CA 3.45Å; I138-R141 PolarHBondContact O-N 3.47Å; I138-Y142 HydrophobicContact CG1-CE2 4.18Å
139	R	95.5	Very high	95.2	Very high	221 Å²	221	56.7 Å²	56.7	83%	0.834	25%	0.25	S	C	*	.	H	α-helix	trans	-60.5	-33.5	177.5	-176.9	176.7	176.2	-179.9	-0.5	112.9	M135 R136 A137 R141	M135-R139 WeakPolarHBondContact O-CB 3.27Å; M135-R139 PolarHBondContact O-N 2.76Å; R136-R139 PolarHBondContact O-N 2.96Å; A137-R139 PolarHBondContact O-N 3.06Å; R139-R141 VanDerWaalsContact C-N 3.27Å
140	A	96.4	Very high	95.3	Very high	5 Å²	5	60.7 Å²	60.7	4%	0.041	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	3.3	175.3	0	0	0	0	0	113.1	R136 A137 I138 Y142 D143 L146 Q147	R136-A140 WeakPolarHBondContact O-CB 3.26Å; R136-A140 PolarHBondContact O-N 2.9Å; A137-A140 CarbonylContact O-C 3.52Å; A137-A140 PolarHBondContact O-N 3.36Å; A137-A140 VanDerWaalsContact O-N 3.13Å; I138-A140 PolarHBondContact O-N 2.55Å; A140-Y142 PolarHBondContact O-N 3.36Å; A140-D143 VanDerWaalsContact O-CB 3.23Å; A140-D143 WeakPolarHBondContact O-CB 3.38Å; A140-D143 PolarHBondContact O-N 3.31Å; A140-L146 HydrophobicContact CB-CB 4.16Å; A140-Q147 HydrophobicContact CB-CG 3.67Å
141	R	95.9	Very high	95.4	Very high	200 Å²	200	55.5 Å²	55.5	76%	0.755	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.5	39	-173	-61.7	-174.2	-71.9	-135.9	0.1	112.8	A137 I138 R139 D143	A137-R141 PolarHBondContact O-N 2.77Å; I138-R141 WeakPolarHBondContact O-CA 3.45Å; I138-R141 PolarHBondContact O-N 3.47Å; R139-R141 VanDerWaalsContact C-N 3.27Å; R141-D143 PolarHBondContact O-N 3.22Å; R141-D143 VanDerWaalsContact O-N 3.11Å
142	Y	95.8	Very high	95.5	Very high	7 Å²	7	55.8 Å²	55.8	3%	0.027	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	19.6	-176.8	-61.6	-86.8	0	0	0	114.9	M93 C94 P96 Y122 T124 A137 I138 A140 P144 Q147	M93-Y142 HydrophobicContact CB-CD1 4.01Å; M93-Y142 HydrophobicContact CB-CE1 3.9Å; C94-Y142 WeakPolarHBondContact O-CD1 3.38Å; P96-Y142 VanDerWaalsContact CD-CE2 3.42Å; P96-Y142 HydrophobicContact CG-CD2 4.2Å; P96-Y142 HydrophobicContact CG-CE1 4.32Å; P96-Y142 HydrophobicContact CG-CE2 3.54Å; Y122-Y142 HydrophobicContact CD1-CD2 4.26Å; Y122-Y142 AromaticContact CD1-CE2 3.58Å; Y122-Y142 HydrophobicContact CD1-CE2 3.58Å; Y122-Y142 AromaticContact CE1-CD2 3.53Å; Y122-Y142 HydrophobicContact CE1-CD2 3.53Å; Y122-Y142 AromaticContact CE1-CE2 3.34Å; Y122-Y142 HydrophobicContact CE1-CE2 3.34Å; Y122-Y142 HydrophobicContact CG-CE2 4.3Å; Y122-Y142 AromaticContact CZ-CD2 3.79Å; Y122-Y142 AromaticContact CZ-CE2 3.87Å; Y122-Y142 PolarHBondContact O-OH 3.44Å; T124-Y142 WeakPolarHBondContact OG1-CE1 3.5Å; T124-Y142 PolarHBondContact OG1-OH 3.06Å; A137-Y142 HydrophobicContact CB-CD1 3.77Å; A137-Y142 HydrophobicContact CB-CE1 3.63Å; A137-Y142 PolarHBondContact O-N 3.48Å; I138-Y142 HydrophobicContact CG1-CE2 4.18Å; A140-Y142 PolarHBondContact O-N 3.36Å; Y142-P144 WeakPolarHBondContact O-CD 3.25Å; Y142-Q147 VanDerWaalsContact C-NE2 3.29Å; Y142-Q147 PolarHBondContact O-NE2 3.31Å
143	D	97.9	Very high	95.5	Very high	44 Å²	44	56.5 Å²	56.5	24%	0.235	24%	0.244	C	C	.	.			trans	-68.6	119.3	173.9	-177.8	-69.4	0	0	0	110.2	A140 R141 F145 L146 Q147	A140-D143 VanDerWaalsContact O-CB 3.23Å; A140-D143 WeakPolarHBondContact O-CB 3.38Å; A140-D143 PolarHBondContact O-N 3.31Å; R141-D143 PolarHBondContact O-N 3.22Å; R141-D143 VanDerWaalsContact O-N 3.11Å; D143-F145 VanDerWaalsContact C-N 3.34Å; D143-F145 PolarHBondContact O-N 3.38Å; D143-F145 WeakPolarHBondContact OD1-CA 3.49Å; D143-F145 WeakPolarHBondContact OD1-CB 3.3Å; D143-F145 PolarHBondContact OD1-N 3.24Å; D143-L146 HydrophobicContact CB-CB 4.12Å; D143-L146 HydrophobicContact CB-CD1 4.06Å; D143-L146 HydrophobicContact CB-CG 4.18Å; D143-L146 PolarHBondContact OD1-N 3.18Å; D143-Q147 WeakPolarHBondContact O-CB 3.32Å; D143-Q147 WeakPolarHBondContact O-CG 3.5Å; D143-Q147 PolarHBondContact O-N 3.08Å; D143-Q147 PolarHBondContact O-NE2 3.49Å
144	P	97.4	Very high	95.4	Very high	1 Å²	1	59 Å²	59	1%	0.006	26%	0.255	C	S	.	.	H	α-helix	trans	-63.8	-36.2	-176.1	23.8	-34.6	0	0	0	113.4	Y142 T148 Y184 F185 N188 L189	Y142-P144 WeakPolarHBondContact O-CD 3.25Å; P144-T148 WeakPolarHBondContact O-CB 3.3Å; P144-T148 PolarHBondContact O-N 3.35Å; P144-T148 PolarHBondContact O-OG1 2.93Å; P144-Y184 HydrophobicContact CG-CD1 4.49Å; P144-Y184 HydrophobicContact CG-CE1 3.84Å; P144-F185 HydrophobicContact CB-CD1 4.45Å; P144-F185 HydrophobicContact CB-CD2 3.77Å; P144-F185 HydrophobicContact CB-CE1 4.47Å; P144-F185 HydrophobicContact CB-CE2 3.79Å; P144-F185 HydrophobicContact CB-CG 4.11Å; P144-F185 HydrophobicContact CB-CZ 4.15Å; P144-F185 HydrophobicContact CG-CD2 3.99Å; P144-F185 HydrophobicContact CG-CE2 4.37Å; P144-F185 HydrophobicContact CG-CG 4.44Å; P144-N188 HydrophobicContact CB-CB 3.96Å; P144-N188 HydrophobicContact CG-CB 3.51Å; P144-L189 HydrophobicContact CB-CD2 3.81Å
145	F	97.6	Very high	95.2	Very high	63 Å²	63	59 Å²	59	28%	0.276	26%	0.255	S	S	.	.	H	α-helix	trans	-70.1	-48.9	-178	-175.5	-88.1	0	0	0	110.3	D143 T148 R149 N188 D191 A192	D143-F145 VanDerWaalsContact C-N 3.34Å; D143-F145 PolarHBondContact O-N 3.38Å; D143-F145 WeakPolarHBondContact OD1-CA 3.49Å; D143-F145 WeakPolarHBondContact OD1-CB 3.3Å; D143-F145 PolarHBondContact OD1-N 3.24Å; F145-T148 PolarHBondContact O-N 3.14Å; F145-R149 HydrophobicContact CD1-CG 3.89Å; F145-R149 HydrophobicContact CE1-CG 3.62Å; F145-R149 HydrophobicContact CG-CG 4.49Å; F145-R149 HydrophobicContact CZ-CG 4.02Å; F145-R149 WeakPolarHBondContact O-CB 3.48Å; F145-R149 VanDerWaalsContact O-CG 3.29Å; F145-R149 WeakPolarHBondContact O-CG 3.19Å; F145-R149 PolarHBondContact O-N 3.33Å; F145-N188 HydrophobicContact CB-CB 4.22Å; F145-D191 HydrophobicContact CD2-CB 4.5Å; F145-A192 HydrophobicContact CD2-CB 3.69Å; F145-A192 VanDerWaalsContact CE2-CA 3.48Å; F145-A192 HydrophobicContact CE2-CB 3.99Å; F145-A192 HydrophobicContact CG-CB 4.22Å
146	L	97.6	Very high	95	Very high	68 Å²	68	60 Å²	60	36%	0.356	26%	0.256	S	S	.	.	H	α-helix	trans	-65.8	-42.5	178.9	-65.4	-180	0	0	0	112.1	A140 D143 T148 R149 H150	A140-L146 HydrophobicContact CB-CB 4.16Å; D143-L146 HydrophobicContact CB-CB 4.12Å; D143-L146 HydrophobicContact CB-CD1 4.06Å; D143-L146 HydrophobicContact CB-CG 4.18Å; D143-L146 PolarHBondContact OD1-N 3.18Å; L146-T148 PolarHBondContact O-N 3.41Å; L146-R149 PolarHBondContact O-N 3.11Å; L146-H150 VanDerWaalsContact O-CB 3.3Å; L146-H150 WeakPolarHBondContact O-CB 3.26Å; L146-H150 PolarHBondContact O-N 3.08Å; L146-H150 PolarHBondContact O-ND1 2.94Å
147	Q	97.9	Very high	94.6	Very high	13 Å²	13	62.1 Å²	62.1	6%	0.061	27%	0.269	C	S	.	.	H	α-helix	trans	-55.2	-44.5	174.5	-78.2	-177.1	77.9	0	0	111.3	V92 M93 A140 Y142 D143 R151	V92-Q147 HydrophobicContact CG1-CB 4.03Å; M93-Q147 PolarHBondContact O-NE2 3.11Å; A140-Q147 HydrophobicContact CB-CG 3.67Å; Y142-Q147 VanDerWaalsContact C-NE2 3.29Å; Y142-Q147 PolarHBondContact O-NE2 3.31Å; D143-Q147 WeakPolarHBondContact O-CB 3.32Å; D143-Q147 WeakPolarHBondContact O-CG 3.5Å; D143-Q147 PolarHBondContact O-N 3.08Å; D143-Q147 PolarHBondContact O-NE2 3.49Å; Q147-R151 VanDerWaalsContact O-CB 3.26Å; Q147-R151 WeakPolarHBondContact O-CB 3.44Å; Q147-R151 PolarHBondContact O-N 3.04Å
148	T	97	Very high	94.1	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-68	-53	-179.7	-61.3	0	0	0	0	111.8	P144 F145 L146 H150 R151 I152 F167 L189 A192 L193	P144-T148 WeakPolarHBondContact O-CB 3.3Å; P144-T148 PolarHBondContact O-N 3.35Å; P144-T148 PolarHBondContact O-OG1 2.93Å; F145-T148 PolarHBondContact O-N 3.14Å; L146-T148 PolarHBondContact O-N 3.41Å; T148-H150 PolarHBondContact O-N 3.45Å; T148-R151 PolarHBondContact O-N 3.23Å; T148-I152 HydrophobicContact CG2-CD1 3.61Å; T148-I152 HydrophobicContact CG2-CG1 4.44Å; T148-I152 VanDerWaalsContact O-CG1 3.32Å; T148-I152 WeakPolarHBondContact O-CG1 3.37Å; T148-I152 PolarHBondContact O-N 3.31Å; T148-F167 HydrophobicContact CG2-CE1 3.6Å; T148-F167 HydrophobicContact CG2-CZ 3.67Å; T148-L189 WeakPolarHBondContact OG1-CD2 3.26Å; T148-A192 HydrophobicContact CG2-CB 3.45Å; T148-A192 VanDerWaalsContact CG2-CB 3.45Å; T148-L193 HydrophobicContact CG2-CD2 4.06Å
149	R	95.3	Very high	93.4	Very high	107 Å²	107	61.6 Å²	61.6	40%	0.404	27%	0.27	S	S	.	.	H	α-helix	trans	-58.7	-51	-178	-70.1	-77.9	-77.2	-173	-6	111.7	F145 L146 R151 I152 E153 A192	F145-R149 HydrophobicContact CD1-CG 3.89Å; F145-R149 HydrophobicContact CE1-CG 3.62Å; F145-R149 HydrophobicContact CG-CG 4.49Å; F145-R149 HydrophobicContact CZ-CG 4.02Å; F145-R149 WeakPolarHBondContact O-CB 3.48Å; F145-R149 VanDerWaalsContact O-CG 3.29Å; F145-R149 WeakPolarHBondContact O-CG 3.19Å; F145-R149 PolarHBondContact O-N 3.33Å; L146-R149 PolarHBondContact O-N 3.11Å; R149-R151 VanDerWaalsContact C-N 3.28Å; R149-R151 PolarHBondContact O-N 3.2Å; R149-I152 PolarHBondContact O-N 2.89Å; R149-E153 WeakPolarHBondContact O-CG 3.34Å; R149-E153 PolarHBondContact O-N 2.95Å; R149-A192 HydrophobicContact CG-CB 4.14Å
150	H	95.1	Very high	92.9	Very high	92 Å²	92	51.4 Å²	51.4	43%	0.426	23%	0.232	S	C	.	.	H	α-helix	trans	-59.4	-39.8	178.9	-65.8	155.4	0	0	0	112	L146 T148 Q154	L146-H150 VanDerWaalsContact O-CB 3.3Å; L146-H150 WeakPolarHBondContact O-CB 3.26Å; L146-H150 PolarHBondContact O-N 3.08Å; L146-H150 PolarHBondContact O-ND1 2.94Å; T148-H150 PolarHBondContact O-N 3.45Å; H150-Q154 VanDerWaalsContact O-CB 3.28Å; H150-Q154 WeakPolarHBondContact O-CB 3.42Å; H150-Q154 PolarHBondContact O-N 3.16Å
151	R	94.8	Very high	92.3	Very high	28 Å²	28	52.6 Å²	52.6	11%	0.106	24%	0.24	C	C	.	.	H	α-helix	trans	-69.6	-40.1	-179.6	-178	54.9	178.8	168.3	3.3	112.2	V90 Q147 T148 R149 L155	V90-R151 HydrophobicContact CB-CG 4.38Å; V90-R151 HydrophobicContact CG1-CB 4.09Å; V90-R151 HydrophobicContact CG1-CG 3.91Å; V90-R151 HydrophobicContact CG2-CG 4.09Å; Q147-R151 VanDerWaalsContact O-CB 3.26Å; Q147-R151 WeakPolarHBondContact O-CB 3.44Å; Q147-R151 PolarHBondContact O-N 3.04Å; T148-R151 PolarHBondContact O-N 3.23Å; R149-R151 VanDerWaalsContact C-N 3.28Å; R149-R151 PolarHBondContact O-N 3.2Å; R151-L155 HydrophobicContact CG-CD1 4.41Å; R151-L155 WeakPolarHBondContact O-CG 3.4Å; R151-L155 PolarHBondContact O-N 3.15Å
152	I	93.2	Very high	92	Very high	13 Å²	13	43.3 Å²	43.3	7%	0.067	21%	0.205	C	C	.	.	H	α-helix	trans	-66.4	-45.9	178.2	-70.4	170.6	0	0	0	110.7	V90 T148 R149 Q154 L155 K156 V162 L193	V90-I152 HydrophobicContact CG2-CG1 4.21Å; T148-I152 HydrophobicContact CG2-CD1 3.61Å; T148-I152 HydrophobicContact CG2-CG1 4.44Å; T148-I152 VanDerWaalsContact O-CG1 3.32Å; T148-I152 WeakPolarHBondContact O-CG1 3.37Å; T148-I152 PolarHBondContact O-N 3.31Å; R149-I152 PolarHBondContact O-N 2.89Å; I152-Q154 VanDerWaalsContact C-N 3.34Å; I152-Q154 PolarHBondContact O-N 3.33Å; I152-L155 PolarHBondContact O-N 3.41Å; I152-K156 HydrophobicContact CG2-CD 4.42Å; I152-K156 WeakPolarHBondContact O-CG 3.33Å; I152-K156 PolarHBondContact O-N 3.38Å; I152-V162 HydrophobicContact CG2-CB 4.29Å; I152-V162 HydrophobicContact CG2-CG1 4.46Å; I152-V162 HydrophobicContact CG2-CG2 3.94Å; I152-L193 HydrophobicContact CD1-CD2 3.16Å
153	E	92.4	Very high	91.7	Very high	86 Å²	86	45.7 Å²	45.7	40%	0.402	22%	0.219	S	C	.	.	H	α-helix	trans	-60.5	-43.9	176.8	-72.9	171.4	-176.5	0	0	111.6	R149 L155 K156 Q157	R149-E153 WeakPolarHBondContact O-CG 3.34Å; R149-E153 PolarHBondContact O-N 2.95Å; E153-L155 VanDerWaalsContact C-N 3.32Å; E153-L155 PolarHBondContact O-N 3.26Å; E153-K156 PolarHBondContact O-N 3.13Å; E153-Q157 WeakPolarHBondContact O-CB 3.43Å; E153-Q157 WeakPolarHBondContact O-CG 3.41Å; E153-Q157 PolarHBondContact O-N 3.48Å
154	Q	91.1	Very high	91.4	Very high	74 Å²	74	46.3 Å²	46.3	35%	0.346	22%	0.219	S	C	.	.	H	α-helix	trans	-58.9	-42.4	174.8	-176.8	-177.8	51.7	0	0	112.2	H150 I152 Q157 L158	H150-Q154 VanDerWaalsContact O-CB 3.28Å; H150-Q154 WeakPolarHBondContact O-CB 3.42Å; H150-Q154 PolarHBondContact O-N 3.16Å; I152-Q154 VanDerWaalsContact C-N 3.34Å; I152-Q154 PolarHBondContact O-N 3.33Å; Q154-Q157 PolarHBondContact O-N 2.94Å; Q154-L158 HydrophobicContact CG-CD1 4.27Å; Q154-L158 WeakPolarHBondContact O-CG 3.48Å; Q154-L158 PolarHBondContact O-N 3.34Å
155	L	89.4	Confident	91.3	Very high	3 Å²	3	46.3 Å²	46.3	2%	0.016	22%	0.219	C	C	.	.	H	α-helix	trans	-67	-41.8	178.2	-74.6	172.6	0	0	0	111.9	A88 V90 R151 I152 E153 Q157 L158 G159 H160 V162	A88-L155 HydrophobicContact CB-CD1 4.06Å; V90-L155 HydrophobicContact CG2-CD1 4.4Å; R151-L155 HydrophobicContact CG-CD1 4.41Å; R151-L155 WeakPolarHBondContact O-CG 3.4Å; R151-L155 PolarHBondContact O-N 3.15Å; I152-L155 PolarHBondContact O-N 3.41Å; E153-L155 VanDerWaalsContact C-N 3.32Å; E153-L155 PolarHBondContact O-N 3.26Å; L155-Q157 VanDerWaalsContact C-N 3.35Å; L155-Q157 PolarHBondContact O-N 3.24Å; L155-L158 PolarHBondContact O-N 2.77Å; L155-G159 PolarHBondContact O-N 3.21Å; L155-H160 HydrophobicContact CB-CB 4.29Å; L155-H160 WeakPolarHBondContact O-CB 3.31Å; L155-H160 PolarHBondContact O-N 3.31Å; L155-V162 HydrophobicContact CB-CG1 3.69Å; L155-V162 HydrophobicContact CD1-CG1 4.37Å
156	K	88.4	Confident	91.2	Very high	118 Å²	118	44.6 Å²	44.6	51%	0.513	21%	0.212	S	C	.	.	H	α-helix	trans	-59.3	-45.7	174.2	-71.7	-179.4	-178.5	-176.6	0	111.5	I152 E153 L158 G159 V162	I152-K156 HydrophobicContact CG2-CD 4.42Å; I152-K156 WeakPolarHBondContact O-CG 3.33Å; I152-K156 PolarHBondContact O-N 3.38Å; E153-K156 PolarHBondContact O-N 3.13Å; K156-L158 PolarHBondContact O-N 3.11Å; K156-G159 PolarHBondContact O-N 3.32Å; K156-V162 HydrophobicContact CD-CG2 3.97Å; K156-V162 HydrophobicContact CG-CG1 4.19Å; K156-V162 HydrophobicContact CG-CG2 3.55Å
157	Q	86.1	Confident	91.3	Very high	109 Å²	109	41.4 Å²	41.4	51%	0.509	20%	0.195	S	C	.	.	H	α-helix	trans	-60.3	-29.1	177.3	-80.8	177.2	4.6	0	0	113.4	V58 E153 Q154 L155 G159	V58-Q157 HydrophobicContact CG1-CB 3.67Å; V58-Q157 HydrophobicContact CG1-CG 4.05Å; E153-Q157 WeakPolarHBondContact O-CB 3.43Å; E153-Q157 WeakPolarHBondContact O-CG 3.41Å; E153-Q157 PolarHBondContact O-N 3.48Å; Q154-Q157 PolarHBondContact O-N 2.94Å; L155-Q157 VanDerWaalsContact C-N 3.35Å; L155-Q157 PolarHBondContact O-N 3.24Å; Q157-G159 VanDerWaalsContact C-N 3.3Å
158	L	86.1	Confident	91.2	Very high	27 Å²	27	41.7 Å²	41.7	14%	0.141	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	7.1	175.9	-69.7	171.4	0	0	0	113.5	V58 A78 Q154 L155 K156	V58-L158 HydrophobicContact CG2-CD2 3.93Å; A78-L158 HydrophobicContact CB-CD2 4.09Å; Q154-L158 HydrophobicContact CG-CD1 4.27Å; Q154-L158 WeakPolarHBondContact O-CG 3.48Å; Q154-L158 PolarHBondContact O-N 3.34Å; L155-L158 PolarHBondContact O-N 2.77Å; K156-L158 PolarHBondContact O-N 3.11Å
159	G	80.9	Confident	91.3	Very high	14 Å²	14	41.7 Å²	41.7	14%	0.144	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.5	16	177.3	0	0	0	0	0	114.6	K77 L155 K156 Q157	K77-G159 WeakPolarHBondContact CE-O 3.27Å; L155-G159 PolarHBondContact O-N 3.21Å; K156-G159 PolarHBondContact O-N 3.32Å; Q157-G159 VanDerWaalsContact C-N 3.3Å
160	H	85.1	Confident	91.1	Very high	8 Å²	8	37.3 Å²	37.3	4%	0.037	18%	0.181	C	C	.	.			trans	-83.8	140	173.5	-61.7	-83.6	0	0	0	110.9	A78 T83 L155	A78-H160 PolarHBondContact O-CE1 2.88Å; A78-H160 PolarHBondContact O-NE2 3.4Å; A78-H160 VanDerWaalsContact O-NE2 3.16Å; T83-H160 HydrophobicContact CG2-CB 4Å; T83-H160 VanDerWaalsContact CG2-ND1 3.34Å; T83-H160 WeakPolarHBondContact CG2-ND1 3.37Å; T83-H160 PolarHBondContact OG1-ND1 2.78Å; L155-H160 HydrophobicContact CB-CB 4.29Å; L155-H160 WeakPolarHBondContact O-CB 3.31Å; L155-H160 PolarHBondContact O-N 3.31Å
161	S	83.8	Confident	90.3	Very high	29 Å²	29	33 Å²	33	20%	0.203	16%	0.162	C	C	.	.			trans	-69.8	141.1	162.6	170.2	0	0	0	0	108.5	D163	S161-D163 PolarHBondContact OG-N 3.07Å; S161-D163 PolarHBondContact OG-OD2 3.27Å
162	V	89.1	Confident	89.4	Confident	5 Å²	5	32.7 Å²	32.7	3%	0.03	17%	0.167	C	C	.	.			trans	-125.6	22.2	176.7	-61.4	0	0	0	0	110.6	A88 I152 L155 K156 K164 T213	A88-V162 HydrophobicContact CB-CB 4.29Å; A88-V162 HydrophobicContact CB-CG1 4.05Å; I152-V162 HydrophobicContact CG2-CB 4.29Å; I152-V162 HydrophobicContact CG2-CG1 4.46Å; I152-V162 HydrophobicContact CG2-CG2 3.94Å; L155-V162 HydrophobicContact CB-CG1 3.69Å; L155-V162 HydrophobicContact CD1-CG1 4.37Å; K156-V162 HydrophobicContact CD-CG2 3.97Å; K156-V162 HydrophobicContact CG-CG1 4.19Å; K156-V162 HydrophobicContact CG-CG2 3.55Å; V162-K164 PolarHBondContact O-N 2.89Å; V162-T213 WeakPolarHBondContact O-CG2 3.37Å
163	D	89.1	Confident	89.3	Confident	58 Å²	58	32.3 Å²	32.3	31%	0.31	17%	0.165	S	C	.	.	S	Bend	trans	-64.4	-28.7	-179.2	-56	-37.4	0	0	0	111.6	S161 K214	S161-D163 PolarHBondContact OG-N 3.07Å; S161-D163 PolarHBondContact OG-OD2 3.27Å; D163-K214 PolarHBondContact O-N 2.79Å
164	K	91.9	Very high	89.5	Confident	57 Å²	57	28.2 Å²	28.2	25%	0.248	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	119.6	175.4	-62.2	175.1	-173	171.2	0	108.7	A88 V162 I216	A88-K164 PolarHBondContact N-O 3.25Å; V162-K164 PolarHBondContact O-N 2.89Å; K164-I216 HydrophobicContact CB-CD1 4.37Å; K164-I216 HydrophobicContact CB-CG1 4.43Å; K164-I216 HydrophobicContact CB-CG2 3.79Å; K164-I216 HydrophobicContact CD-CG2 4.44Å; K164-I216 HydrophobicContact CG-CG2 3.93Å
165	V	95.2	Very high	89.7	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	132.7	-179.9	175	0	0	0	0	109.7	A88 V90 F167 L193 T213 K214 C215 I216	A88-V165 HydrophobicContact CB-CG2 4.33Å; A88-V165 WeakPolarHBondContact O-CA 3.41Å; V90-V165 HydrophobicContact CB-CG1 3.99Å; V90-V165 HydrophobicContact CG2-CG1 3.66Å; V165-F167 HydrophobicContact CG1-CD1 4.43Å; V165-F167 HydrophobicContact CG1-CD2 4.37Å; V165-F167 HydrophobicContact CG1-CE1 4.2Å; V165-F167 HydrophobicContact CG1-CE2 4.15Å; V165-F167 HydrophobicContact CG1-CZ 4.05Å; V165-L193 HydrophobicContact CB-CD1 4.16Å; V165-L193 HydrophobicContact CG1-CD1 4.38Å; V165-L193 HydrophobicContact CG1-CD2 4.48Å; V165-L193 HydrophobicContact CG2-CD2 4.27Å; V165-T213 HydrophobicContact CG2-CG2 3.65Å; V165-K214 PolarHBondContact N-O 2.65Å; V165-C215 CarbonylContact O-C 3.46Å; V165-C215 WeakPolarHBondContact O-CA 3.06Å; V165-I216 VanDerWaalsContact O-CG1 3.32Å; V165-I216 WeakPolarHBondContact O-CG1 3.44Å; V165-I216 PolarHBondContact O-N 3.31Å
166	E	96.4	Very high	90	Very high	28 Å²	28	26.3 Å²	26.3	13%	0.131	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	123.5	168	-177.1	-176.6	-174.6	0	0	108.7	I87 A88 V89 V90 I216 G217 R242	I87-E166 HydrophobicContact CG2-CB 3.59Å; A88-E166 PolarHBondContact O-N 2.89Å; V89-E166 WeakPolarHBondContact CA-O 3.41Å; V90-E166 PolarHBondContact N-O 2.99Å; E166-I216 HydrophobicContact CB-CG1 4.31Å; E166-G217 WeakPolarHBondContact CA-O 3.44Å; E166-R242 IonicContact OE1-CZ 2.71Å; E166-R242 IonicContact OE1-NE 2.57Å; E166-R242 IonicContact OE1-NH1 3.73Å; E166-R242 PolarHBondContact OE1-NH1 2.9Å; E166-R242 IonicContact OE1-NH2 2.97Å; E166-R242 PolarHBondContact OE1-NH2 2.81Å
167	F	98.2	Very high	90.4	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	146.7	177.4	-71.6	-72.4	0	0	0	111.7	V90 T148 V165 L189 L193 G217 I218 T219	V90-F167 HydrophobicContact CB-CD1 3.89Å; V90-F167 HydrophobicContact CB-CE1 4.01Å; V90-F167 HydrophobicContact CG1-CD1 3.85Å; V90-F167 HydrophobicContact CG1-CE1 3.71Å; V90-F167 VanDerWaalsContact O-CA 3.3Å; V90-F167 WeakPolarHBondContact O-CA 3.49Å; T148-F167 HydrophobicContact CG2-CE1 3.6Å; T148-F167 HydrophobicContact CG2-CZ 3.67Å; V165-F167 HydrophobicContact CG1-CD1 4.43Å; V165-F167 HydrophobicContact CG1-CD2 4.37Å; V165-F167 HydrophobicContact CG1-CE1 4.2Å; V165-F167 HydrophobicContact CG1-CE2 4.15Å; V165-F167 HydrophobicContact CG1-CZ 4.05Å; F167-L189 HydrophobicContact CD1-CD1 4.37Å; F167-L189 HydrophobicContact CD2-CB 4.45Å; F167-L189 HydrophobicContact CE1-CB 4.31Å; F167-L189 HydrophobicContact CE1-CD2 4.36Å; F167-L189 HydrophobicContact CE2-CB 4.07Å; F167-L189 HydrophobicContact CG-CD1 4.32Å; F167-L189 HydrophobicContact CZ-CB 4Å; F167-L193 HydrophobicContact CE2-CD1 3.51Å; F167-L193 HydrophobicContact CE2-CG 4.01Å; F167-L193 HydrophobicContact CZ-CD1 3.8Å; F167-L193 HydrophobicContact CZ-CD2 3.95Å; F167-L193 HydrophobicContact CZ-CG 3.82Å; F167-G217 PolarHBondContact N-O 3.42Å; F167-I218 HydrophobicContact CB-CB 4.48Å; F167-I218 HydrophobicContact CB-CG1 4.03Å; F167-I218 HydrophobicContact CB-CG2 4.4Å; F167-I218 HydrophobicContact CD2-CG1 4.02Å; F167-I218 HydrophobicContact CG-CG1 4.5Å; F167-T219 WeakPolarHBondContact O-CB 3.39Å; F167-T219 PolarHBondContact O-N 2.98Å
168	I	97.5	Very high	90.9	Very high	20 Å²	20	19.9 Å²	19.9	10%	0.103	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	112.2	166.1	-52.9	179.4	0	0	0	107.9	V89 V90 A91 V92 M170 T219	V89-I168 HydrophobicContact CG1-CD1 3.45Å; V89-I168 VanDerWaalsContact CG1-CD1 3.45Å; V89-I168 HydrophobicContact CG1-CG1 3.94Å; V90-I168 PolarHBondContact O-N 3.03Å; A91-I168 WeakPolarHBondContact CA-O 3.34Å; A91-I168 HydrophobicContact CB-CB 4.19Å; V92-I168 PolarHBondContact N-O 3.28Å; I168-M170 HydrophobicContact CG2-CG 3.85Å; I168-T219 HydrophobicContact CG2-CG2 4.34Å
169	V	97.3	Very high	91.4	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	108.4	174.8	-176.1	0	0	0	0	108.3	V92 F174 F185 I186 L189 I218 T219 I220 E221	V92-V169 HydrophobicContact CG2-CG2 4.24Å; V169-F174 HydrophobicContact CG1-CB 4.19Å; V169-F174 HydrophobicContact CG1-CD1 4.2Å; V169-F174 HydrophobicContact CG1-CD2 3.99Å; V169-F174 HydrophobicContact CG1-CE2 4.43Å; V169-F174 HydrophobicContact CG1-CG 3.85Å; V169-F185 HydrophobicContact CG1-CE1 3.95Å; V169-F185 HydrophobicContact CG2-CE1 4.27Å; V169-I186 HydrophobicContact CG2-CD1 4.2Å; V169-L189 HydrophobicContact CG2-CD1 4.12Å; V169-I218 HydrophobicContact CG2-CG2 4.14Å; V169-T219 PolarHBondContact N-O 3.12Å; V169-I220 HydrophobicContact CB-CG1 4.35Å; V169-I220 HydrophobicContact CG2-CG1 4.37Å; V169-E221 PolarHBondContact O-N 3.4Å
170	M	92	Very high	92.1	Very high	15 Å²	15	31 Å²	31	7%	0.074	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	153.5	-175.2	-67.5	-177.1	-62.9	0	0	112.5	A91 V92 M93 Y127 T133 I168 E221	A91-M170 HydrophobicContact CB-CE 3.32Å; A91-M170 HydrophobicContact CB-SD 4.04Å; V92-M170 PolarHBondContact O-N 3Å; M93-M170 HydrophobicContact CE-CB 4.41Å; M93-M170 HydrophobicContact CE-CE 3.93Å; M93-M170 HydrophobicContact CG-CB 4.05Å; M93-M170 HydrophobicContact CG-CE 4.06Å; Y127-M170 HydrophobicContact CE2-CB 4.41Å; T133-M170 HydrophobicContact CG2-CE 3.23Å; I168-M170 HydrophobicContact CG2-CG 3.85Å; M170-E221 WeakPolarHBondContact CA-OE2 3.28Å
171	G	79.1	Confident	92.7	Very high	2 Å²	2	32.3 Å²	32.3	2%	0.021	17%	0.174	C	C	.	.	S	Bend	trans	132.7	-8	178.1	0	0	0	0	0	113.9	T173 E221	G171-T173 PolarHBondContact O-N 3.3Å; G171-T173 PolarHBondContact O-OG1 3.4Å; G171-E221 PolarHBondContact N-OE2 2.67Å
172	G	75.4	Confident	93.4	Very high	20 Å²	20	31.4 Å²	31.4	21%	0.206	17%	0.166	C	C	.	.	S	Bend	trans	70.1	-18.3	172.3	0	0	0	0	0	116.7	T222 R223	G172-T222 CarbonylContact O-C 3.55Å; G172-T222 VanDerWaalsContact O-CA 3.25Å; G172-T222 WeakPolarHBondContact O-CA 3.31Å; G172-R223 PolarHBondContact O-N 2.95Å
173	T	90.7	Very high	93.8	Very high	5 Å²	5	32.9 Å²	32.9	3%	0.031	17%	0.174	C	C	.	.			trans	-130.8	19.2	-176.4	51	0	0	0	0	113.7	H97 C99 G171 M175 A176 R223	H97-T173 PolarHBondContact CE1-OG1 2.97Å; H97-T173 WeakPolarHBondContact NE2-CB 3.47Å; H97-T173 PolarHBondContact NE2-O 2.85Å; H97-T173 PolarHBondContact NE2-OG1 2.82Å; C99-T173 HydrophobicContact CB-CG2 4.42Å; C99-T173 VanDerWaalsContact SG-CG2 3.51Å; G171-T173 PolarHBondContact O-N 3.3Å; G171-T173 PolarHBondContact O-OG1 3.4Å; T173-M175 PolarHBondContact O-N 3.01Å; T173-A176 VanDerWaalsContact O-CB 3.32Å; T173-A176 WeakPolarHBondContact O-CB 3.15Å; T173-A176 PolarHBondContact O-N 3.03Å; T173-R223 HydrophobicContact CG2-CG 4.24Å
174	F	95.9	Very high	94.2	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-49.8	-38	179.9	173.6	-106.9	0	0	0	113.3	C94 V169 A176 L177 Y181 R182 F185 I186 I220 Y238	C94-F174 HydrophobicContact CB-CD2 3.78Å; C94-F174 HydrophobicContact CB-CE2 4.43Å; V169-F174 HydrophobicContact CG1-CB 4.19Å; V169-F174 HydrophobicContact CG1-CD1 4.2Å; V169-F174 HydrophobicContact CG1-CD2 3.99Å; V169-F174 HydrophobicContact CG1-CE2 4.43Å; V169-F174 HydrophobicContact CG1-CG 3.85Å; F174-A176 PolarHBondContact O-N 2.79Å; F174-L177 HydrophobicContact CD2-CD1 4.14Å; F174-L177 WeakPolarHBondContact O-CB 3.49Å; F174-L177 PolarHBondContact O-N 3.46Å; F174-L177 VanDerWaalsContact O-N 3.16Å; F174-Y181 HydrophobicContact CE2-CE1 4.33Å; F174-R182 HydrophobicContact CE1-CB 4.22Å; F174-R182 HydrophobicContact CE1-CG 4.08Å; F174-R182 HydrophobicContact CE2-CB 4.49Å; F174-R182 HydrophobicContact CE2-CG 4.19Å; F174-R182 HydrophobicContact CZ-CB 3.82Å; F174-R182 HydrophobicContact CZ-CG 3.84Å; F174-F185 HydrophobicContact CE2-CB 3.93Å; F174-F185 AromaticContact CE2-CD1 3.82Å; F174-F185 HydrophobicContact CE2-CD1 3.82Å; F174-F185 AromaticContact CE2-CG 3.9Å; F174-F185 HydrophobicContact CE2-CG 3.9Å; F174-F185 HydrophobicContact CZ-CB 4.2Å; F174-F185 HydrophobicContact CZ-CD1 4.14Å; F174-F185 HydrophobicContact CZ-CG 4.43Å; F174-I186 HydrophobicContact CE1-CD1 4.07Å; F174-I186 HydrophobicContact CE1-CG1 4.23Å; F174-I186 HydrophobicContact CZ-CD1 3.96Å; F174-I186 HydrophobicContact CZ-CG1 3.95Å; F174-I220 HydrophobicContact CD1-CG2 4.11Å; F174-Y238 HydrophobicContact CE1-CE2 4.28Å
175	M	96.3	Very high	94.5	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.02	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-71.6	-12	-179.4	-64.4	-57.9	-67.4	0	0	114.8	T173 L177 I220 Y226 H231 D234 M235 Y238	T173-M175 PolarHBondContact O-N 3.01Å; M175-L177 VanDerWaalsContact C-N 3.32Å; M175-I220 HydrophobicContact CG-CG2 4.22Å; M175-I220 HydrophobicContact SD-CG2 4.38Å; M175-Y226 HydrophobicContact CB-CD1 4.28Å; M175-H231 HydrophobicContact CE-CB 3.85Å; M175-H231 WeakPolarHBondContact CE-O 3.45Å; M175-D234 HydrophobicContact CE-CB 4.15Å; M175-M235 HydrophobicContact CE-CE 3.79Å; M175-M235 HydrophobicContact CE-CG 3.77Å; M175-M235 HydrophobicContact CG-CE 3.32Å; M175-M235 HydrophobicContact SD-CE 3.69Å; M175-M235 HydrophobicContact SD-CG 4Å; M175-Y238 HydrophobicContact SD-CE2 4.34Å
176	A	95.3	Very high	94.6	Very high	33 Å²	33	31.3 Å²	31.3	27%	0.273	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-83.9	-10.2	173.1	0	0	0	0	0	112.9	P100 T173 F174 Y226	P100-A176 HydrophobicContact CB-CB 4.17Å; P100-A176 HydrophobicContact CG-CB 3.74Å; T173-A176 VanDerWaalsContact O-CB 3.32Å; T173-A176 WeakPolarHBondContact O-CB 3.15Å; T173-A176 PolarHBondContact O-N 3.03Å; F174-A176 PolarHBondContact O-N 2.79Å; A176-Y226 HydrophobicContact CB-CD1 4.12Å; A176-Y226 HydrophobicContact CB-CE1 3.6Å; A176-Y226 HydrophobicContact CB-CE2 4.24Å
177	L	96.1	Very high	94.7	Very high	13 Å²	13	32.3 Å²	32.3	7%	0.068	17%	0.165	C	C	.	.	S	Bend	trans	-74.4	154.6	177.4	-68.3	171.1	0	0	0	111.6	C94 K95 H97 F174 M175 Y181 R182	C94-L177 HydrophobicContact CB-CD1 4.2Å; K95-L177 HydrophobicContact CG-CD1 4.41Å; H97-L177 HydrophobicContact CB-CD2 3.91Å; F174-L177 HydrophobicContact CD2-CD1 4.14Å; F174-L177 WeakPolarHBondContact O-CB 3.49Å; F174-L177 PolarHBondContact O-N 3.46Å; F174-L177 VanDerWaalsContact O-N 3.16Å; M175-L177 VanDerWaalsContact C-N 3.32Å; L177-Y181 HydrophobicContact CB-CD1 3.98Å; L177-Y181 HydrophobicContact CD1-CD1 3.48Å; L177-Y181 VanDerWaalsContact CD1-CD1 3.48Å; L177-Y181 HydrophobicContact CD1-CE1 3.41Å; L177-Y181 VanDerWaalsContact CD1-CE1 3.41Å; L177-Y181 HydrophobicContact CG-CD1 4.26Å; L177-R182 HydrophobicContact CB-CG 4.21Å; L177-R182 WeakPolarHBondContact O-CD 3.41Å; L177-R182 PolarHBondContact O-NE 3.03Å; L177-R182 VanDerWaalsContact O-NE 3.11Å
178	P	96.9	Very high	94.7	Very high	80 Å²	80	33.4 Å²	33.4	52%	0.519	17%	0.171	S	C	.	.			trans	-53.2	144.3	176	-26.7	35.2	0	0	0	112.6	E180 Y181 R182	P178-E180 VanDerWaalsContact C-N 3.29Å; P178-E180 PolarHBondContact O-N 3.11Å; P178-Y181 WeakPolarHBondContact O-CB 3.44Å; P178-Y181 PolarHBondContact O-N 3.09Å; P178-R182 PolarHBondContact O-N 3.4Å
179	E	96.3	Very high	94.7	Very high	101 Å²	101	32.4 Å²	32.4	47%	0.472	17%	0.166	S	C	.	.	H	α-helix	trans	-56	-41.1	-177.2	-168.5	168.7	149.5	0	0	113	Y181 R182 D183 R230	E179-Y181 VanDerWaalsContact C-N 3.3Å; E179-Y181 PolarHBondContact O-N 2.87Å; E179-R182 PolarHBondContact O-N 2.89Å; E179-R182 VanDerWaalsContact O-N 3.11Å; E179-R182 IonicContact OE2-NH2 3.65Å; E179-D183 PolarHBondContact O-N 3.13Å; E179-R230 IonicContact OE2-NH2 2.77Å; E179-R230 PolarHBondContact OE2-NH2 3.34Å
180	E	97.1	Very high	94.8	Very high	172 Å²	172	32.4 Å²	32.4	80%	0.804	17%	0.166	S	C	*	.	H	α-helix	trans	-58.5	-40.3	175.7	-63.5	176.5	179.8	0	0	112.7	P178 Y184	P178-E180 VanDerWaalsContact C-N 3.29Å; P178-E180 PolarHBondContact O-N 3.11Å; E180-Y184 WeakPolarHBondContact O-CB 3.34Å; E180-Y184 PolarHBondContact O-N 2.85Å
181	Y	97.5	Very high	95	Very high	37 Å²	37	31.9 Å²	31.9	15%	0.145	16%	0.163	C	C	.	.	H	α-helix	trans	-70.7	-39.4	176.6	-179.6	-92.6	0	0	0	111.3	C94 K95 F174 L177 P178 E179 Y184 F185	C94-Y181 HydrophobicContact CB-CE1 4.22Å; K95-Y181 HydrophobicContact CB-CE2 4.44Å; K95-Y181 WeakPolarHBondContact CB-OH 3.17Å; K95-Y181 HydrophobicContact CD-CD2 4.09Å; K95-Y181 HydrophobicContact CD-CE1 4.38Å; K95-Y181 HydrophobicContact CD-CE2 3.66Å; K95-Y181 HydrophobicContact CG-CE1 4.08Å; K95-Y181 HydrophobicContact CG-CE2 4.02Å; K95-Y181 PolarHBondContact N-OH 3.1Å; F174-Y181 HydrophobicContact CE2-CE1 4.33Å; L177-Y181 HydrophobicContact CB-CD1 3.98Å; L177-Y181 HydrophobicContact CD1-CD1 3.48Å; L177-Y181 VanDerWaalsContact CD1-CD1 3.48Å; L177-Y181 HydrophobicContact CD1-CE1 3.41Å; L177-Y181 VanDerWaalsContact CD1-CE1 3.41Å; L177-Y181 HydrophobicContact CG-CD1 4.26Å; P178-Y181 WeakPolarHBondContact O-CB 3.44Å; P178-Y181 PolarHBondContact O-N 3.09Å; E179-Y181 VanDerWaalsContact C-N 3.3Å; E179-Y181 PolarHBondContact O-N 2.87Å; Y181-Y184 HydrophobicContact CD2-CD1 4.48Å; Y181-Y184 HydrophobicContact CE2-CD1 4.46Å; Y181-Y184 PolarHBondContact O-N 3.48Å; Y181-F185 HydrophobicContact CE1-CB 4.3Å; Y181-F185 HydrophobicContact CE1-CD2 4.13Å; Y181-F185 HydrophobicContact CE1-CG 4.47Å; Y181-F185 AromaticContact CZ-CD2 3.95Å; Y181-F185 VanDerWaalsContact O-CB 3.25Å; Y181-F185 WeakPolarHBondContact O-CB 3.42Å; Y181-F185 PolarHBondContact O-N 2.91Å
182	R	97.6	Very high	95.9	Very high	9 Å²	9	32 Å²	32	3%	0.034	16%	0.164	C	C	.	.	H	α-helix	trans	-64.1	-44.1	178.1	-64.3	-176.5	-67.8	143	6.4	111	F174 L177 P178 E179 F185 I186 D234 Y238	F174-R182 HydrophobicContact CE1-CB 4.22Å; F174-R182 HydrophobicContact CE1-CG 4.08Å; F174-R182 HydrophobicContact CE2-CB 4.49Å; F174-R182 HydrophobicContact CE2-CG 4.19Å; F174-R182 HydrophobicContact CZ-CB 3.82Å; F174-R182 HydrophobicContact CZ-CG 3.84Å; L177-R182 HydrophobicContact CB-CG 4.21Å; L177-R182 WeakPolarHBondContact O-CD 3.41Å; L177-R182 PolarHBondContact O-NE 3.03Å; L177-R182 VanDerWaalsContact O-NE 3.11Å; P178-R182 PolarHBondContact O-N 3.4Å; E179-R182 PolarHBondContact O-N 2.89Å; E179-R182 VanDerWaalsContact O-N 3.11Å; E179-R182 IonicContact OE2-NH2 3.65Å; R182-F185 PolarHBondContact O-N 3.08Å; R182-I186 WeakPolarHBondContact O-CG1 3.18Å; R182-I186 PolarHBondContact O-N 2.83Å; R182-D234 IonicContact CZ-OD2 2.8Å; R182-D234 IonicContact NH1-OD2 3.06Å; R182-D234 PolarHBondContact NH1-OD2 3.02Å; R182-D234 IonicContact NH2-OD2 3.92Å; R182-D234 PolarHBondContact NH2-OD2 3.21Å; R182-Y238 HydrophobicContact CB-CE2 4.26Å; R182-Y238 VanDerWaalsContact CB-OH 3.29Å; R182-Y238 WeakPolarHBondContact CB-OH 3.04Å
183	D	97.8	Very high	96.9	Very high	37 Å²	37	31.6 Å²	31.6	20%	0.198	16%	0.158	C	C	.	.	H	α-helix	trans	-59.1	-55.1	172.7	-179.4	97.2	0	0	0	110.9	E179 F185 I186 R187 I201	E179-D183 PolarHBondContact O-N 3.13Å; D183-F185 PolarHBondContact O-N 3.27Å; D183-I186 PolarHBondContact O-N 2.81Å; D183-R187 WeakPolarHBondContact O-CB 3.37Å; D183-R187 PolarHBondContact O-N 3.37Å; D183-I201 VanDerWaalsContact OD1-CB 3.26Å; D183-I201 WeakPolarHBondContact OD1-CB 3.32Å; D183-I201 VanDerWaalsContact OD1-CG2 3.27Å; D183-I201 WeakPolarHBondContact OD1-CG2 3.39Å; D183-I201 PolarHBondContact OD1-N 3.17Å
184	Y	98	Very high	97.1	Very high	82 Å²	82	33 Å²	33	32%	0.322	17%	0.167	S	C	.	.	H	α-helix	trans	-51.5	-45.9	177.6	164.8	-94	0	0	0	111.4	P144 E180 Y181 N188	P144-Y184 HydrophobicContact CG-CD1 4.49Å; P144-Y184 HydrophobicContact CG-CE1 3.84Å; E180-Y184 WeakPolarHBondContact O-CB 3.34Å; E180-Y184 PolarHBondContact O-N 2.85Å; Y181-Y184 HydrophobicContact CD2-CD1 4.48Å; Y181-Y184 HydrophobicContact CE2-CD1 4.46Å; Y181-Y184 PolarHBondContact O-N 3.48Å; Y184-N188 VanDerWaalsContact CD2-ND2 3.33Å; Y184-N188 WeakPolarHBondContact CD2-ND2 3.44Å; Y184-N188 WeakPolarHBondContact CE2-ND2 3.48Å; Y184-N188 WeakPolarHBondContact O-CB 3.15Å; Y184-N188 PolarHBondContact O-N 2.98Å; Y184-N188 PolarHBondContact O-ND2 3.1Å
185	F	98.2	Very high	96.9	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-64.6	-54.9	-176.2	-166.9	-88.3	0	0	0	111.6	V92 M93 C94 P144 V169 F174 Y181 R182 D183 N188 L189	V92-F185 HydrophobicContact CB-CZ 4.31Å; V92-F185 HydrophobicContact CG2-CE1 3.88Å; V92-F185 HydrophobicContact CG2-CZ 3.94Å; M93-F185 WeakPolarHBondContact O-CE2 3.04Å; C94-F185 HydrophobicContact CB-CE2 4.18Å; C94-F185 HydrophobicContact CB-CZ 4.36Å; P144-F185 HydrophobicContact CB-CD1 4.45Å; P144-F185 HydrophobicContact CB-CD2 3.77Å; P144-F185 HydrophobicContact CB-CE1 4.47Å; P144-F185 HydrophobicContact CB-CE2 3.79Å; P144-F185 HydrophobicContact CB-CG 4.11Å; P144-F185 HydrophobicContact CB-CZ 4.15Å; P144-F185 HydrophobicContact CG-CD2 3.99Å; P144-F185 HydrophobicContact CG-CE2 4.37Å; P144-F185 HydrophobicContact CG-CG 4.44Å; V169-F185 HydrophobicContact CG1-CE1 3.95Å; V169-F185 HydrophobicContact CG2-CE1 4.27Å; F174-F185 HydrophobicContact CE2-CB 3.93Å; F174-F185 AromaticContact CE2-CD1 3.82Å; F174-F185 HydrophobicContact CE2-CD1 3.82Å; F174-F185 AromaticContact CE2-CG 3.9Å; F174-F185 HydrophobicContact CE2-CG 3.9Å; F174-F185 HydrophobicContact CZ-CB 4.2Å; F174-F185 HydrophobicContact CZ-CD1 4.14Å; F174-F185 HydrophobicContact CZ-CG 4.43Å; Y181-F185 HydrophobicContact CE1-CB 4.3Å; Y181-F185 HydrophobicContact CE1-CD2 4.13Å; Y181-F185 HydrophobicContact CE1-CG 4.47Å; Y181-F185 AromaticContact CZ-CD2 3.95Å; Y181-F185 VanDerWaalsContact O-CB 3.25Å; Y181-F185 WeakPolarHBondContact O-CB 3.42Å; Y181-F185 PolarHBondContact O-N 2.91Å; R182-F185 PolarHBondContact O-N 3.08Å; D183-F185 PolarHBondContact O-N 3.27Å; F185-N188 PolarHBondContact O-N 3.05Å; F185-L189 HydrophobicContact CD1-CD1 4.26Å; F185-L189 HydrophobicContact CD1-CG 4.45Å; F185-L189 HydrophobicContact CE1-CD1 4.04Å; F185-L189 HydrophobicContact CE1-CD2 4.29Å; F185-L189 HydrophobicContact CE1-CG 4.38Å; F185-L189 WeakPolarHBondContact O-CG 3.03Å; F185-L189 PolarHBondContact O-N 3.07Å
186	I	98.2	Very high	96.9	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-68	-41.1	-176.3	-59	-63.3	0	0	0	111.4	V169 F174 R182 D183 N188 L189 H190 I201 I218 Y238	V169-I186 HydrophobicContact CG2-CD1 4.2Å; F174-I186 HydrophobicContact CE1-CD1 4.07Å; F174-I186 HydrophobicContact CE1-CG1 4.23Å; F174-I186 HydrophobicContact CZ-CD1 3.96Å; F174-I186 HydrophobicContact CZ-CG1 3.95Å; R182-I186 WeakPolarHBondContact O-CG1 3.18Å; R182-I186 PolarHBondContact O-N 2.83Å; D183-I186 PolarHBondContact O-N 2.81Å; I186-N188 VanDerWaalsContact C-N 3.27Å; I186-N188 PolarHBondContact O-N 2.74Å; I186-L189 HydrophobicContact CD1-CD1 4.17Å; I186-L189 WeakPolarHBondContact O-CB 3.34Å; I186-L189 PolarHBondContact O-N 3.31Å; I186-H190 PolarHBondContact O-N 2.99Å; I186-I201 HydrophobicContact CB-CD1 4.02Å; I186-I201 HydrophobicContact CG2-CD1 3.42Å; I186-I201 VanDerWaalsContact CG2-CD1 3.42Å; I186-I201 HydrophobicContact CG2-CG1 4.46Å; I186-I218 HydrophobicContact CG2-CD1 4.35Å; I186-Y238 HydrophobicContact CB-CG 4.4Å; I186-Y238 HydrophobicContact CD1-CD2 4.5Å; I186-Y238 HydrophobicContact CG1-CD1 4.39Å; I186-Y238 HydrophobicContact CG1-CD2 3.91Å; I186-Y238 HydrophobicContact CG1-CE2 4.39Å; I186-Y238 HydrophobicContact CG1-CG 3.92Å; I186-Y238 HydrophobicContact CG2-CG 4.22Å
187	R	97.7	Very high	96.9	Very high	48 Å²	48	42.5 Å²	42.5	18%	0.181	23%	0.231	C	C	.	.	H	α-helix	trans	-54.2	-46.7	176.5	-179.9	-176.5	69.9	171.8	-19.6	111.1	D183 L189 H190 D191 S198 N199 A204	D183-R187 WeakPolarHBondContact O-CB 3.37Å; D183-R187 PolarHBondContact O-N 3.37Å; R187-L189 VanDerWaalsContact C-N 3.3Å; R187-L189 PolarHBondContact O-N 2.87Å; R187-H190 WeakPolarHBondContact O-CB 3.4Å; R187-H190 PolarHBondContact O-N 3.02Å; R187-H190 VanDerWaalsContact O-N 3.14Å; R187-D191 WeakPolarHBondContact O-CB 3.32Å; R187-D191 PolarHBondContact O-N 2.92Å; R187-S198 VanDerWaalsContact CD-O 3.25Å; R187-S198 WeakPolarHBondContact CD-O 3.34Å; R187-S198 VanDerWaalsContact CZ-O 3.31Å; R187-S198 PolarHBondContact NE-O 3.19Å; R187-S198 PolarHBondContact NH1-O 3.12Å; R187-N199 VanDerWaalsContact NH1-CA 3.31Å; R187-N199 PolarHBondContact NH1-O 3.41Å; R187-A204 HydrophobicContact CB-CB 4.2Å; R187-A204 HydrophobicContact CG-CB 3.67Å
188	N	98.3	Very high	96.9	Very high	23 Å²	23	42 Å²	42	12%	0.123	23%	0.228	C	C	.	.	H	α-helix	trans	-67	-26.3	178.5	-83.7	-78.3	0	0	0	113.9	P144 F145 Y184 F185 I186 A192	P144-N188 HydrophobicContact CB-CB 3.96Å; P144-N188 HydrophobicContact CG-CB 3.51Å; F145-N188 HydrophobicContact CB-CB 4.22Å; Y184-N188 VanDerWaalsContact CD2-ND2 3.33Å; Y184-N188 WeakPolarHBondContact CD2-ND2 3.44Å; Y184-N188 WeakPolarHBondContact CE2-ND2 3.48Å; Y184-N188 WeakPolarHBondContact O-CB 3.15Å; Y184-N188 PolarHBondContact O-N 2.98Å; Y184-N188 PolarHBondContact O-ND2 3.1Å; F185-N188 PolarHBondContact O-N 3.05Å; I186-N188 VanDerWaalsContact C-N 3.27Å; I186-N188 PolarHBondContact O-N 2.74Å; N188-A192 VanDerWaalsContact O-CB 3.26Å; N188-A192 WeakPolarHBondContact O-CB 3.19Å; N188-A192 PolarHBondContact O-N 3.05Å
189	L	98.1	Very high	96.8	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-66.2	-43.9	171.1	-57.3	-175.6	0	0	0	111.1	V92 P144 T148 F167 V169 F185 I186 R187	V92-L189 HydrophobicContact CG1-CD2 4.23Å; V92-L189 HydrophobicContact CG2-CD1 4.15Å; V92-L189 HydrophobicContact CG2-CD2 4.04Å; P144-L189 HydrophobicContact CB-CD2 3.81Å; T148-L189 WeakPolarHBondContact OG1-CD2 3.26Å; F167-L189 HydrophobicContact CD1-CD1 4.37Å; F167-L189 HydrophobicContact CD2-CB 4.45Å; F167-L189 HydrophobicContact CE1-CB 4.31Å; F167-L189 HydrophobicContact CE1-CD2 4.36Å; F167-L189 HydrophobicContact CE2-CB 4.07Å; F167-L189 HydrophobicContact CG-CD1 4.32Å; F167-L189 HydrophobicContact CZ-CB 4Å; V169-L189 HydrophobicContact CG2-CD1 4.12Å; F185-L189 HydrophobicContact CD1-CD1 4.26Å; F185-L189 HydrophobicContact CD1-CG 4.45Å; F185-L189 HydrophobicContact CE1-CD1 4.04Å; F185-L189 HydrophobicContact CE1-CD2 4.29Å; F185-L189 HydrophobicContact CE1-CG 4.38Å; F185-L189 WeakPolarHBondContact O-CG 3.03Å; F185-L189 PolarHBondContact O-N 3.07Å; I186-L189 HydrophobicContact CD1-CD1 4.17Å; I186-L189 WeakPolarHBondContact O-CB 3.34Å; I186-L189 PolarHBondContact O-N 3.31Å; R187-L189 VanDerWaalsContact C-N 3.3Å; R187-L189 PolarHBondContact O-N 2.87Å
190	H	98.1	Very high	96.8	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-66.1	-44.5	176.1	-79	-66.7	0	0	0	112.1	I186 R187 A192 L193 S194 A204 S208 Y238	I186-H190 PolarHBondContact O-N 2.99Å; R187-H190 WeakPolarHBondContact O-CB 3.4Å; R187-H190 PolarHBondContact O-N 3.02Å; R187-H190 VanDerWaalsContact O-N 3.14Å; H190-A192 VanDerWaalsContact C-N 3.33Å; H190-A192 PolarHBondContact O-N 3.32Å; H190-L193 PolarHBondContact O-N 3.28Å; H190-L193 VanDerWaalsContact O-N 3.09Å; H190-S194 PolarHBondContact O-N 3.35Å; H190-S194 PolarHBondContact O-OG 3.17Å; H190-A204 HydrophobicContact CB-CB 3.78Å; H190-S208 WeakPolarHBondContact ND1-CB 3.42Å; H190-S208 PolarHBondContact ND1-OG 3.42Å; H190-Y238 PolarHBondContact NE2-O 3.27Å
191	D	97.5	Very high	96.7	Very high	3 Å²	3	34.4 Å²	34.4	2%	0.016	19%	0.192	C	C	.	.	H	α-helix	trans	-62.6	-38.2	179.1	-75.5	-6.4	0	0	0	112	F145 R187 L193 S194 G195 H196 S198	F145-D191 HydrophobicContact CD2-CB 4.5Å; R187-D191 WeakPolarHBondContact O-CB 3.32Å; R187-D191 PolarHBondContact O-N 2.92Å; D191-L193 PolarHBondContact O-N 3.13Å; D191-S194 WeakPolarHBondContact CA-OG 3.34Å; D191-S194 PolarHBondContact O-N 3.46Å; D191-S194 PolarHBondContact O-OG 3.32Å; D191-G195 WeakPolarHBondContact O-CA 3.47Å; D191-G195 PolarHBondContact O-N 3.38Å; D191-H196 WeakPolarHBondContact CB-O 3.43Å; D191-S198 WeakPolarHBondContact OD1-CB 3.15Å; D191-S198 PolarHBondContact OD1-OG 2.92Å; D191-S198 WeakPolarHBondContact OD2-CB 3.2Å; D191-S198 PolarHBondContact OD2-N 3.16Å
192	A	96.9	Very high	96.6	Very high	5 Å²	5	40.3 Å²	40.3	4%	0.041	22%	0.215	C	C	.	.	H	α-helix	trans	-61.6	-27.4	174.3	0	0	0	0	0	113.7	F145 T148 R149 N188 H190	F145-A192 HydrophobicContact CD2-CB 3.69Å; F145-A192 VanDerWaalsContact CE2-CA 3.48Å; F145-A192 HydrophobicContact CE2-CB 3.99Å; F145-A192 HydrophobicContact CG-CB 4.22Å; T148-A192 HydrophobicContact CG2-CB 3.45Å; T148-A192 VanDerWaalsContact CG2-CB 3.45Å; R149-A192 HydrophobicContact CG-CB 4.14Å; N188-A192 VanDerWaalsContact O-CB 3.26Å; N188-A192 WeakPolarHBondContact O-CB 3.19Å; N188-A192 PolarHBondContact O-N 3.05Å; H190-A192 VanDerWaalsContact C-N 3.33Å; H190-A192 PolarHBondContact O-N 3.32Å
193	L	95.8	Very high	96.5	Very high	12 Å²	12	41.9 Å²	41.9	6%	0.063	22%	0.223	C	C	.	.	H	α-helix	trans	-88.6	-37.9	174.3	-58.2	-169.9	0	0	0	113	T148 I152 V165 F167 H190 D191 S211 T213 C215	T148-L193 HydrophobicContact CG2-CD2 4.06Å; I152-L193 HydrophobicContact CD1-CD2 3.16Å; V165-L193 HydrophobicContact CB-CD1 4.16Å; V165-L193 HydrophobicContact CG1-CD1 4.38Å; V165-L193 HydrophobicContact CG1-CD2 4.48Å; V165-L193 HydrophobicContact CG2-CD2 4.27Å; F167-L193 HydrophobicContact CE2-CD1 3.51Å; F167-L193 HydrophobicContact CE2-CG 4.01Å; F167-L193 HydrophobicContact CZ-CD1 3.8Å; F167-L193 HydrophobicContact CZ-CD2 3.95Å; F167-L193 HydrophobicContact CZ-CG 3.82Å; H190-L193 PolarHBondContact O-N 3.28Å; H190-L193 VanDerWaalsContact O-N 3.09Å; D191-L193 PolarHBondContact O-N 3.13Å; L193-S211 PolarHBondContact O-OG 2.88Å; L193-T213 HydrophobicContact CB-CG2 4.46Å; L193-T213 HydrophobicContact CD1-CG2 4.42Å; L193-T213 HydrophobicContact CD2-CG2 3.86Å; L193-T213 HydrophobicContact CG-CG2 4.48Å; L193-C215 HydrophobicContact CD1-CB 3.77Å
194	S	95.1	Very high	96.5	Very high	33 Å²	33	40.1 Å²	40.1	23%	0.231	21%	0.214	C	C	.	.	H	α-helix	trans	-80.8	-28.6	-175.8	69.4	0	0	0	0	112.8	H190 D191 H196	H190-S194 PolarHBondContact O-N 3.35Å; H190-S194 PolarHBondContact O-OG 3.17Å; D191-S194 WeakPolarHBondContact CA-OG 3.34Å; D191-S194 PolarHBondContact O-N 3.46Å; D191-S194 PolarHBondContact O-OG 3.32Å; S194-H196 WeakPolarHBondContact OG-CB 3.41Å; S194-H196 PolarHBondContact OG-N 2.9Å; S194-H196 VanDerWaalsContact OG-N 3.09Å
195	G	93.4	Very high	96.4	Very high	62 Å²	62	36.9 Å²	36.9	64%	0.639	20%	0.203	S	C	*	.			trans	75.8	4.5	-169.2	0	0	0	0	0	113.8	D191	D191-G195 WeakPolarHBondContact O-CA 3.47Å; D191-G195 PolarHBondContact O-N 3.38Å
196	H	94.4	Very high	96.2	Very high	56 Å²	56	43.1 Å²	43.1	26%	0.259	23%	0.229	S	C	.	.			trans	-88.3	161.1	174.2	-170.6	56	0	0	0	110.5	D191 S194 S198 E203 Y207	D191-H196 WeakPolarHBondContact CB-O 3.43Å; S194-H196 WeakPolarHBondContact OG-CB 3.41Å; S194-H196 PolarHBondContact OG-N 2.9Å; S194-H196 VanDerWaalsContact OG-N 3.09Å; H196-S198 PolarHBondContact CD2-OG 2.89Å; H196-E203 IonicContact CD2-OE1 3.69Å; H196-E203 IonicContact CE1-OE1 2.92Å; H196-E203 IonicContact NE2-OE1 3.56Å; H196-E203 PolarHBondContact NE2-OE1 2.99Å; H196-Y207 HydrophobicContact CB-CD1 4.39Å; H196-Y207 HydrophobicContact CB-CG 4.31Å; H196-Y207 AromaticContact CD2-CD2 3.47Å; H196-Y207 VanDerWaalsContact CD2-CD2 3.47Å; H196-Y207 WeakPolarHBondContact CD2-CD2 3.15Å; H196-Y207 AromaticContact CD2-CE2 3.78Å; H196-Y207 AromaticContact CD2-CG 3.67Å; H196-Y207 AromaticContact CG-CG 3.97Å; H196-Y207 AromaticContact NE2-CD2 3.76Å; H196-Y207 AromaticContact NE2-CE2 3.55Å; H196-Y207 AromaticContact NE2-CZ 3.85Å
197	T	95.9	Very high	96.1	Very high	120 Å²	120	47.8 Å²	47.8	74%	0.736	25%	0.248	S	C	*	.			trans	-115.6	108.9	170	-57.3	0	0	0	0	108
198	S	96.4	Very high	95.9	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.014	24%	0.239	C	C	.	.			trans	-95.4	155.8	-173	-57.2	0	0	0	0	111.7	R187 D191 H196 A204	R187-S198 VanDerWaalsContact CD-O 3.25Å; R187-S198 WeakPolarHBondContact CD-O 3.34Å; R187-S198 VanDerWaalsContact CZ-O 3.31Å; R187-S198 PolarHBondContact NE-O 3.19Å; R187-S198 PolarHBondContact NH1-O 3.12Å; D191-S198 WeakPolarHBondContact OD1-CB 3.15Å; D191-S198 PolarHBondContact OD1-OG 2.92Å; D191-S198 WeakPolarHBondContact OD2-CB 3.2Å; D191-S198 PolarHBondContact OD2-N 3.16Å; H196-S198 PolarHBondContact CD2-OG 2.89Å; S198-A204 WeakPolarHBondContact OG-CA 3.32Å; S198-A204 PolarHBondContact OG-N 2.97Å
199	N	95	Very high	95.6	Very high	125 Å²	125	45.5 Å²	45.5	67%	0.668	24%	0.239	S	C	*	.	S	Bend	trans	-89	-26.5	175.5	-67.1	-63.8	0	0	0	113.7	R187 E203	R187-N199 VanDerWaalsContact NH1-CA 3.31Å; R187-N199 PolarHBondContact NH1-O 3.41Å; N199-E203 PolarHBondContact N-OE2 3.09Å; N199-E203 PolarHBondContact ND2-OE2 3.31Å
200	N	95.5	Very high	95.3	Very high	65 Å²	65	54.3 Å²	54.3	35%	0.348	27%	0.272	S	S	.	.	S	Bend	trans	-151	171.9	178.9	58	59.3	0	0	0	110.4	Y202 E203 A204	N200-Y202 VanDerWaalsContact C-N 3.33Å; N200-Y202 PolarHBondContact O-N 2.98Å; N200-Y202 WeakPolarHBondContact OD1-CB 3.4Å; N200-Y202 PolarHBondContact OD1-N 3.49Å; N200-Y202 VanDerWaalsContact OD1-N 3.11Å; N200-E203 PolarHBondContact O-N 3.19Å; N200-E203 PolarHBondContact OD1-N 2.92Å; N200-A204 PolarHBondContact O-N 2.78Å
201	I	95.8	Very high	95	Very high	4 Å²	4	54.9 Å²	54.9	2%	0.021	28%	0.276	C	S	.	.	H	α-helix	trans	-60.4	-36.9	-179.5	-173.1	56.8	0	0	0	114.3	D183 I186 E203 A204 V205 T237 Y238	D183-I201 VanDerWaalsContact OD1-CB 3.26Å; D183-I201 WeakPolarHBondContact OD1-CB 3.32Å; D183-I201 VanDerWaalsContact OD1-CG2 3.27Å; D183-I201 WeakPolarHBondContact OD1-CG2 3.39Å; D183-I201 PolarHBondContact OD1-N 3.17Å; I186-I201 HydrophobicContact CB-CD1 4.02Å; I186-I201 HydrophobicContact CG2-CD1 3.42Å; I186-I201 VanDerWaalsContact CG2-CD1 3.42Å; I186-I201 HydrophobicContact CG2-CG1 4.46Å; I201-E203 VanDerWaalsContact C-N 3.33Å; I201-E203 PolarHBondContact O-N 3.27Å; I201-A204 HydrophobicContact CD1-CB 4.41Å; I201-A204 WeakPolarHBondContact O-CB 3.39Å; I201-A204 PolarHBondContact O-N 3.44Å; I201-V205 HydrophobicContact CD1-CG2 3.94Å; I201-V205 HydrophobicContact CG1-CG2 4.13Å; I201-V205 WeakPolarHBondContact O-CG2 3.27Å; I201-V205 PolarHBondContact O-N 2.69Å; I201-T237 HydrophobicContact CG2-CG2 3.92Å; I201-Y238 HydrophobicContact CG1-CD1 4.06Å
202	Y	95.2	Very high	94.6	Very high	160 Å²	160	62.6 Å²	62.6	63%	0.627	32%	0.316	S	S	*	.	H	α-helix	trans	-63.8	-41.5	-177.6	-61.4	-82.7	0	0	0	111.6	N200 K206 T237	N200-Y202 VanDerWaalsContact C-N 3.33Å; N200-Y202 PolarHBondContact O-N 2.98Å; N200-Y202 WeakPolarHBondContact OD1-CB 3.4Å; N200-Y202 PolarHBondContact OD1-N 3.49Å; N200-Y202 VanDerWaalsContact OD1-N 3.11Å; Y202-K206 WeakPolarHBondContact O-CB 3.4Å; Y202-K206 PolarHBondContact O-N 2.81Å; Y202-K206 VanDerWaalsContact O-N 3.16Å; Y202-T237 HydrophobicContact CD1-CG2 4.18Å; Y202-T237 HydrophobicContact CE1-CG2 3.56Å; Y202-T237 HydrophobicContact CE2-CG2 4.44Å
203	E	96.4	Very high	94.4	Very high	43 Å²	43	63.4 Å²	63.4	20%	0.201	32%	0.321	C	S	.	.	H	α-helix	trans	-63	-49.3	172.9	-174.1	-179.5	-176.6	0	0	110.9	H196 N199 N200 I201 V205 K206 Y207	H196-E203 IonicContact CD2-OE1 3.69Å; H196-E203 IonicContact CE1-OE1 2.92Å; H196-E203 IonicContact NE2-OE1 3.56Å; H196-E203 PolarHBondContact NE2-OE1 2.99Å; N199-E203 PolarHBondContact N-OE2 3.09Å; N199-E203 PolarHBondContact ND2-OE2 3.31Å; N200-E203 PolarHBondContact O-N 3.19Å; N200-E203 PolarHBondContact OD1-N 2.92Å; I201-E203 VanDerWaalsContact C-N 3.33Å; I201-E203 PolarHBondContact O-N 3.27Å; E203-V205 VanDerWaalsContact C-N 3.35Å; E203-V205 PolarHBondContact O-N 2.91Å; E203-K206 WeakPolarHBondContact O-CB 3.06Å; E203-K206 PolarHBondContact O-N 2.71Å; E203-K206 VanDerWaalsContact O-N 3.11Å; E203-Y207 HydrophobicContact CG-CD2 3.76Å; E203-Y207 HydrophobicContact CG-CE2 3.73Å; E203-Y207 WeakPolarHBondContact O-CD2 3.35Å; E203-Y207 PolarHBondContact O-N 3.47Å
204	A	96.9	Very high	94.3	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-55.3	-47.1	179.1	0	0	0	0	0	112.6	R187 H190 S198 N200 I201 K206 Y207 S208	R187-A204 HydrophobicContact CB-CB 4.2Å; R187-A204 HydrophobicContact CG-CB 3.67Å; H190-A204 HydrophobicContact CB-CB 3.78Å; S198-A204 WeakPolarHBondContact OG-CA 3.32Å; S198-A204 PolarHBondContact OG-N 2.97Å; N200-A204 PolarHBondContact O-N 2.78Å; I201-A204 HydrophobicContact CD1-CB 4.41Å; I201-A204 WeakPolarHBondContact O-CB 3.39Å; I201-A204 PolarHBondContact O-N 3.44Å; A204-K206 PolarHBondContact O-N 2.87Å; A204-Y207 PolarHBondContact O-N 2.95Å; A204-S208 WeakPolarHBondContact O-CB 3.43Å; A204-S208 PolarHBondContact O-N 3.11Å
205	V	95.6	Very high	94.3	Very high	14 Å²	14	63.7 Å²	63.7	9%	0.085	32%	0.317	C	S	.	.	H	α-helix	trans	-61.7	-44	178	167.2	0	0	0	0	110.9	I201 E203 Y207 S208 E209 V524	I201-V205 HydrophobicContact CD1-CG2 3.94Å; I201-V205 HydrophobicContact CG1-CG2 4.13Å; I201-V205 WeakPolarHBondContact O-CG2 3.27Å; I201-V205 PolarHBondContact O-N 2.69Å; E203-V205 VanDerWaalsContact C-N 3.35Å; E203-V205 PolarHBondContact O-N 2.91Å; V205-Y207 PolarHBondContact O-N 2.84Å; V205-S208 PolarHBondContact O-N 3.27Å; V205-E209 PolarHBondContact O-N 3.43Å; V205-E209 VanDerWaalsContact O-N 3.11Å; V205-V524 HydrophobicContact CG1-CG1 3.9Å; V205-V524 HydrophobicContact CG1-CG2 3.78Å; V205-V524 HydrophobicContact CG2-CG2 4.44Å; V205-V524 VanDerWaalsContact O-CG1 3.28Å; V205-V524 WeakPolarHBondContact O-CG1 3.25Å
206	K	94.3	Very high	94.4	Very high	130 Å²	130	62.2 Å²	62.2	57%	0.565	30%	0.295	S	S	*	.	H	α-helix	trans	-61.5	-43.1	179.5	-176.8	-178.4	178	-176.8	0	112.3	Y202 E203 A204	Y202-K206 WeakPolarHBondContact O-CB 3.4Å; Y202-K206 PolarHBondContact O-N 2.81Å; Y202-K206 VanDerWaalsContact O-N 3.16Å; E203-K206 WeakPolarHBondContact O-CB 3.06Å; E203-K206 PolarHBondContact O-N 2.71Å; E203-K206 VanDerWaalsContact O-N 3.11Å; A204-K206 PolarHBondContact O-N 2.87Å
207	Y	95.2	Very high	94.5	Very high	98 Å²	98	59.7 Å²	59.7	38%	0.384	28%	0.283	S	S	.	.	H	α-helix	trans	-75	-37.5	177.1	-80.6	-86	0	0	0	112.4	H196 E203 A204 V205 E209 R210 S211	H196-Y207 HydrophobicContact CB-CD1 4.39Å; H196-Y207 HydrophobicContact CB-CG 4.31Å; H196-Y207 AromaticContact CD2-CD2 3.47Å; H196-Y207 VanDerWaalsContact CD2-CD2 3.47Å; H196-Y207 WeakPolarHBondContact CD2-CD2 3.15Å; H196-Y207 AromaticContact CD2-CE2 3.78Å; H196-Y207 AromaticContact CD2-CG 3.67Å; H196-Y207 AromaticContact CG-CG 3.97Å; H196-Y207 AromaticContact NE2-CD2 3.76Å; H196-Y207 AromaticContact NE2-CE2 3.55Å; H196-Y207 AromaticContact NE2-CZ 3.85Å; E203-Y207 HydrophobicContact CG-CD2 3.76Å; E203-Y207 HydrophobicContact CG-CE2 3.73Å; E203-Y207 WeakPolarHBondContact O-CD2 3.35Å; E203-Y207 PolarHBondContact O-N 3.47Å; A204-Y207 PolarHBondContact O-N 2.95Å; V205-Y207 PolarHBondContact O-N 2.84Å; Y207-E209 PolarHBondContact O-N 2.86Å; Y207-R210 PolarHBondContact O-N 3.09Å; Y207-S211 PolarHBondContact O-N 3.42Å
208	S	94.3	Very high	94.6	Very high	0 Å²	0	54 Å²	54	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-60.7	-34.4	178.3	-169.7	0	0	0	0	112.5	H190 A204 V205 R210 S211	H190-S208 WeakPolarHBondContact ND1-CB 3.42Å; H190-S208 PolarHBondContact ND1-OG 3.42Å; A204-S208 WeakPolarHBondContact O-CB 3.43Å; A204-S208 PolarHBondContact O-N 3.11Å; V205-S208 PolarHBondContact O-N 3.27Å; S208-R210 PolarHBondContact O-N 3.18Å; S208-S211 WeakPolarHBondContact O-CB 3.22Å; S208-S211 PolarHBondContact O-N 3.01Å; S208-S211 VanDerWaalsContact O-N 3.09Å
209	E	92.6	Very high	94.7	Very high	24 Å²	24	53.9 Å²	53.9	11%	0.112	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-32.7	174.8	-169.8	176.3	133.5	0	0	112.9	V205 Y207 K214 V524 R527 R531	V205-E209 PolarHBondContact O-N 3.43Å; V205-E209 VanDerWaalsContact O-N 3.11Å; Y207-E209 PolarHBondContact O-N 2.86Å; E209-K214 PolarHBondContact O-NZ 2.93Å; E209-V524 HydrophobicContact CB-CG1 3.84Å; E209-R527 VanDerWaalsContact OE2-CD 3.25Å; E209-R527 WeakPolarHBondContact OE2-CD 3.49Å; E209-R527 IonicContact OE2-NH1 2.77Å; E209-R527 PolarHBondContact OE2-NH1 3.03Å; E209-R531 IonicContact OE1-CZ 3.42Å; E209-R531 IonicContact OE1-NH1 3.99Å; E209-R531 PolarHBondContact OE1-NH1 3.12Å; E209-R531 IonicContact OE1-NH2 3.24Å; E209-R531 PolarHBondContact OE1-NH2 3.49Å; E209-R531 IonicContact OE2-NH2 2.8Å
210	R	90.3	Very high	94.9	Very high	185 Å²	185	47.9 Å²	47.9	70%	0.698	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-11.7	179.9	-59.8	-179.7	-178.7	-173.9	-2.1	113.5	Y207 S208	Y207-R210 PolarHBondContact O-N 3.09Å; S208-R210 PolarHBondContact O-N 3.18Å
211	S	92.1	Very high	94.9	Very high	12 Å²	12	45.2 Å²	45.2	8%	0.084	20%	0.201	C	C	.	.			trans	-57.5	147.5	-179	-179.4	0	0	0	0	112.6	L193 Y207 S208 T213 K214	L193-S211 PolarHBondContact O-OG 2.88Å; Y207-S211 PolarHBondContact O-N 3.42Å; S208-S211 WeakPolarHBondContact O-CB 3.22Å; S208-S211 PolarHBondContact O-N 3.01Å; S208-S211 VanDerWaalsContact O-N 3.09Å; S211-T213 VanDerWaalsContact C-N 3.3Å; S211-T213 WeakPolarHBondContact CB-O 3.5Å; S211-T213 PolarHBondContact OG-N 3.45Å; S211-T213 VanDerWaalsContact OG-N 3.1Å; S211-T213 PolarHBondContact OG-O 3.47Å; S211-T213 VanDerWaalsContact OG-O 3.08Å; S211-K214 WeakPolarHBondContact O-CD 3.43Å; S211-K214 WeakPolarHBondContact O-CE 3.4Å; S211-K214 PolarHBondContact O-NZ 3.25Å
212	L	89.4	Confident	94.9	Very high	164 Å²	164	45.3 Å²	45.3	86%	0.859	20%	0.202	S	C	*	.	S	Bend	trans	-65.2	-37.5	169.3	-66	174.1	0	0	0	111.5
213	T	92.7	Very high	94.9	Very high	23 Å²	23	37.9 Å²	37.9	14%	0.141	17%	0.173	C	C	.	.	S	Bend	trans	-90	109.2	173.9	-61.7	0	0	0	0	109.3	V162 V165 L193 S211	V162-T213 WeakPolarHBondContact O-CG2 3.37Å; V165-T213 HydrophobicContact CG2-CG2 3.65Å; L193-T213 HydrophobicContact CB-CG2 4.46Å; L193-T213 HydrophobicContact CD1-CG2 4.42Å; L193-T213 HydrophobicContact CD2-CG2 3.86Å; L193-T213 HydrophobicContact CG-CG2 4.48Å; S211-T213 VanDerWaalsContact C-N 3.3Å; S211-T213 WeakPolarHBondContact CB-O 3.5Å; S211-T213 PolarHBondContact OG-N 3.45Å; S211-T213 VanDerWaalsContact OG-N 3.1Å; S211-T213 PolarHBondContact OG-O 3.47Å; S211-T213 VanDerWaalsContact OG-O 3.08Å
214	K	93.7	Very high	94.8	Very high	49 Å²	49	35.9 Å²	35.9	21%	0.213	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	123.1	-170.9	-61.4	-57.1	-174.1	-172.5	0	111.5	D163 V165 E209 S211 I216 G525	D163-K214 PolarHBondContact O-N 2.79Å; V165-K214 PolarHBondContact N-O 2.65Å; E209-K214 PolarHBondContact O-NZ 2.93Å; S211-K214 WeakPolarHBondContact O-CD 3.43Å; S211-K214 WeakPolarHBondContact O-CE 3.4Å; S211-K214 PolarHBondContact O-NZ 3.25Å; K214-I216 HydrophobicContact CB-CG2 4.08Å; K214-I216 PolarHBondContact O-N 3.17Å; K214-G525 WeakPolarHBondContact CD-O 3.26Å
215	C	96.3	Very high	94.6	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.007	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	100	162.2	-175.3	0	0	0	0	108.9	V165 L193 G525	V165-C215 CarbonylContact O-C 3.46Å; V165-C215 WeakPolarHBondContact O-CA 3.06Å; L193-C215 HydrophobicContact CD1-CB 3.77Å; C215-G525 WeakPolarHBondContact O-CA 3.35Å; C215-G525 PolarHBondContact O-N 3.2Å
216	I	95.2	Very high	94.6	Very high	32 Å²	32	39.6 Å²	39.6	16%	0.164	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	-10.1	-176.8	64.1	150	0	0	0	113.2	I87 K164 V165 E166 K214 G523 T526	I87-I216 HydrophobicContact CB-CD1 4.19Å; I87-I216 HydrophobicContact CD1-CD1 3.43Å; I87-I216 VanDerWaalsContact CD1-CD1 3.43Å; I87-I216 HydrophobicContact CG1-CD1 3.48Å; I87-I216 VanDerWaalsContact CG1-CD1 3.48Å; I87-I216 HydrophobicContact CG2-CD1 3.66Å; I87-I216 HydrophobicContact CG2-CG1 4.29Å; K164-I216 HydrophobicContact CB-CD1 4.37Å; K164-I216 HydrophobicContact CB-CG1 4.43Å; K164-I216 HydrophobicContact CB-CG2 3.79Å; K164-I216 HydrophobicContact CD-CG2 4.44Å; K164-I216 HydrophobicContact CG-CG2 3.93Å; V165-I216 VanDerWaalsContact O-CG1 3.32Å; V165-I216 WeakPolarHBondContact O-CG1 3.44Å; V165-I216 PolarHBondContact O-N 3.31Å; E166-I216 HydrophobicContact CB-CG1 4.31Å; K214-I216 HydrophobicContact CB-CG2 4.08Å; K214-I216 PolarHBondContact O-N 3.17Å; I216-G523 WeakPolarHBondContact O-CA 3.48Å; I216-T526 HydrophobicContact CB-CG2 3.84Å; I216-T526 HydrophobicContact CG2-CG2 3.66Å
217	G	96.2	Very high	94.6	Very high	2 Å²	2	33.4 Å²	33.4	2%	0.021	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.8	148	176.5	0	0	0	0	0	111.6	E166 F167 T241	E166-G217 WeakPolarHBondContact CA-O 3.44Å; F167-G217 PolarHBondContact N-O 3.42Å; G217-T241 WeakPolarHBondContact CA-OG1 3.44Å
218	I	98.4	Very high	94.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	134.8	166.8	-64.5	158.6	0	0	0	107.3	F167 V169 I186 I220 Y238 C240 T241 R242	F167-I218 HydrophobicContact CB-CB 4.48Å; F167-I218 HydrophobicContact CB-CG1 4.03Å; F167-I218 HydrophobicContact CB-CG2 4.4Å; F167-I218 HydrophobicContact CD2-CG1 4.02Å; F167-I218 HydrophobicContact CG-CG1 4.5Å; V169-I218 HydrophobicContact CG2-CG2 4.14Å; I186-I218 HydrophobicContact CG2-CD1 4.35Å; I218-I220 HydrophobicContact CG2-CD1 4.42Å; I218-I220 HydrophobicContact CG2-CG1 3.98Å; I218-Y238 WeakPolarHBondContact CD1-O 3.15Å; I218-C240 PolarHBondContact O-SG 3.21Å; I218-T241 PolarHBondContact O-N 2.8Å; I218-T241 PolarHBondContact O-OG1 3.17Å; I218-R242 PolarHBondContact O-N 2.85Å
219	T	98.6	Very high	94.7	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	128.4	171.2	-57.4	0	0	0	0	109.2	F167 I168 V169 R242 E244	F167-T219 WeakPolarHBondContact O-CB 3.39Å; F167-T219 PolarHBondContact O-N 2.98Å; I168-T219 HydrophobicContact CG2-CG2 4.34Å; V169-T219 PolarHBondContact N-O 3.12Å; T219-R242 VanDerWaalsContact CA-O 3.24Å; T219-R242 WeakPolarHBondContact CA-O 3.36Å; T219-R242 HydrophobicContact CG2-CB 4.25Å; T219-R242 HydrophobicContact CG2-CG 4.18Å; T219-R242 PolarHBondContact OG1-NE 3.41Å; T219-R242 VanDerWaalsContact OG1-NE 3.17Å; T219-R242 PolarHBondContact OG1-NH2 3.42Å; T219-E244 HydrophobicContact CG2-CG 3.42Å; T219-E244 VanDerWaalsContact CG2-CG 3.42Å; T219-E244 WeakPolarHBondContact CG2-OE1 3.44Å
220	I	98.3	Very high	94.9	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	122.8	176.5	-62.7	175.8	0	0	0	109.2	V169 F174 M175 I218 M235 Y238 C240 R242 E244	V169-I220 HydrophobicContact CB-CG1 4.35Å; V169-I220 HydrophobicContact CG2-CG1 4.37Å; F174-I220 HydrophobicContact CD1-CG2 4.11Å; M175-I220 HydrophobicContact CG-CG2 4.22Å; M175-I220 HydrophobicContact SD-CG2 4.38Å; I218-I220 HydrophobicContact CG2-CD1 4.42Å; I218-I220 HydrophobicContact CG2-CG1 3.98Å; I220-M235 HydrophobicContact CD1-CG 4.06Å; I220-M235 HydrophobicContact CG2-CE 4.23Å; I220-Y238 HydrophobicContact CD1-CD2 4.11Å; I220-C240 HydrophobicContact CD1-CB 4.04Å; I220-R242 PolarHBondContact N-O 3.24Å; I220-R242 VanDerWaalsContact N-O 3.11Å; I220-E244 PolarHBondContact O-N 2.99Å
221	E	96.3	Very high	95.2	Very high	9 Å²	9	36.7 Å²	36.7	4%	0.042	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	129.7	169.4	-61.7	-179.3	167.2	0	0	109.7	Y127 V169 M170 G171 E244 K316	Y127-E221 PolarHBondContact OH-OE2 3.27Å; V169-E221 PolarHBondContact O-N 3.4Å; M170-E221 WeakPolarHBondContact CA-OE2 3.28Å; G171-E221 PolarHBondContact N-OE2 2.67Å; E221-E244 WeakPolarHBondContact CA-O 3.27Å; E221-E244 HydrophobicContact CG-CB 4.15Å; E221-E244 HydrophobicContact CG-CG 4.44Å; E221-K316 IonicContact OE1-NZ 3.31Å
222	T	95.5	Very high	95.5	Very high	5 Å²	5	36.1 Å²	36.1	3%	0.031	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	169.1	-179.1	-162.5	0	0	0	0	112.6	G172 Y226 C227 M235 E244 I245 G246	G172-T222 CarbonylContact O-C 3.55Å; G172-T222 VanDerWaalsContact O-CA 3.25Å; G172-T222 WeakPolarHBondContact O-CA 3.31Å; T222-Y226 WeakPolarHBondContact OG1-CB 3.45Å; T222-Y226 PolarHBondContact OG1-O 3.29Å; T222-C227 HydrophobicContact CG2-CB 4.35Å; T222-M235 HydrophobicContact CG2-CE 4.14Å; T222-E244 PolarHBondContact N-O 3.34Å; T222-I245 HydrophobicContact CG2-CG1 4.28Å; T222-G246 PolarHBondContact O-N 3.08Å
223	R	94.4	Very high	95.9	Very high	5 Å²	5	29.7 Å²	29.7	2%	0.019	14%	0.136	C	C	.	.			trans	-90.1	151	165.9	-62.2	174	66.4	-125.7	-3.6	109.3	G172 T173 D225 Y226 R260 G261	G172-R223 PolarHBondContact O-N 2.95Å; T173-R223 HydrophobicContact CG2-CG 4.24Å; R223-D225 VanDerWaalsContact C-N 3.25Å; R223-D225 WeakPolarHBondContact CB-OD1 3.44Å; R223-D225 IonicContact CZ-OD1 3.84Å; R223-D225 VanDerWaalsContact CZ-OD1 3.32Å; R223-D225 IonicContact CZ-OD2 3.24Å; R223-D225 IonicContact NE-OD1 2.88Å; R223-D225 IonicContact NH1-OD1 3.36Å; R223-D225 PolarHBondContact NH1-OD1 2.71Å; R223-D225 IonicContact NH1-OD2 2.92Å; R223-D225 PolarHBondContact NH1-OD2 3.48Å; R223-D225 IonicContact NH2-OD1 3.9Å; R223-D225 IonicContact NH2-OD2 3.44Å; R223-D225 PolarHBondContact NH2-OD2 3.04Å; R223-D225 PolarHBondContact O-N 3.17Å; R223-Y226 CarbonylContact O-C 3.55Å; R223-Y226 WeakPolarHBondContact O-CA 3.17Å; R223-Y226 PolarHBondContact O-N 2.85Å; R223-R260 PolarHBondContact NH2-O 2.88Å; R223-G261 VanDerWaalsContact NH2-C 3.26Å; R223-G261 PolarHBondContact NH2-O 3.16Å
224	P	94.6	Very high	96.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-60.6	-33.2	-178	25	-35.5	0	0	0	113	Y226 C227 I245 H262 V267	P224-Y226 PolarHBondContact O-N 3.37Å; P224-C227 VanDerWaalsContact O-CB 3.25Å; P224-C227 WeakPolarHBondContact O-CB 3.35Å; P224-C227 PolarHBondContact O-N 3.37Å; P224-C227 VanDerWaalsContact O-N 3.11Å; P224-I245 HydrophobicContact CB-CG2 4.02Å; P224-I245 HydrophobicContact CG-CG2 4.42Å; P224-H262 HydrophobicContact CG-CB 3.93Å; P224-H262 VanDerWaalsContact CG-CD2 3.41Å; P224-H262 WeakPolarHBondContact CG-CD2 3.48Å; P224-V267 HydrophobicContact CB-CG2 3.96Å; P224-V267 HydrophobicContact CG-CG2 3.78Å
225	D	92.6	Very high	96.3	Very high	38 Å²	38	27.4 Å²	27.4	20%	0.203	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-68.4	-14.8	174.9	59.6	-28.2	0	0	0	113.8	R223	R223-D225 VanDerWaalsContact C-N 3.25Å; R223-D225 WeakPolarHBondContact CB-OD1 3.44Å; R223-D225 IonicContact CZ-OD1 3.84Å; R223-D225 VanDerWaalsContact CZ-OD1 3.32Å; R223-D225 IonicContact CZ-OD2 3.24Å; R223-D225 IonicContact NE-OD1 2.88Å; R223-D225 IonicContact NH1-OD1 3.36Å; R223-D225 PolarHBondContact NH1-OD1 2.71Å; R223-D225 IonicContact NH1-OD2 2.92Å; R223-D225 PolarHBondContact NH1-OD2 3.48Å; R223-D225 IonicContact NH2-OD1 3.9Å; R223-D225 IonicContact NH2-OD2 3.44Å; R223-D225 PolarHBondContact NH2-OD2 3.04Å; R223-D225 PolarHBondContact O-N 3.17Å
226	Y	94.9	Very high	96.4	Very high	55 Å²	55	27.7 Å²	27.7	22%	0.216	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-106.1	29.3	171.5	-77.3	-90.4	0	0	0	112.7	P100 M175 A176 T222 R223 P224 H231	P100-Y226 HydrophobicContact CB-CE2 3.95Å; P100-Y226 WeakPolarHBondContact CB-OH 2.98Å; P100-Y226 HydrophobicContact CG-CD2 4.21Å; P100-Y226 HydrophobicContact CG-CE2 3.29Å; P100-Y226 WeakPolarHBondContact CG-OH 3.39Å; M175-Y226 HydrophobicContact CB-CD1 4.28Å; A176-Y226 HydrophobicContact CB-CD1 4.12Å; A176-Y226 HydrophobicContact CB-CE1 3.6Å; A176-Y226 HydrophobicContact CB-CE2 4.24Å; T222-Y226 WeakPolarHBondContact OG1-CB 3.45Å; T222-Y226 PolarHBondContact OG1-O 3.29Å; R223-Y226 CarbonylContact O-C 3.55Å; R223-Y226 WeakPolarHBondContact O-CA 3.17Å; R223-Y226 PolarHBondContact O-N 2.85Å; P224-Y226 PolarHBondContact O-N 3.37Å; Y226-H231 VanDerWaalsContact C-ND1 3.32Å; Y226-H231 WeakPolarHBondContact CA-ND1 3.22Å; Y226-H231 AromaticContact CD1-CE1 3.74Å; Y226-H231 AromaticContact CD1-NE2 3.84Å; Y226-H231 WeakPolarHBondContact O-CB 3.23Å; Y226-H231 PolarHBondContact O-ND1 3.21Å
227	C	94.9	Very high	96.5	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	13%	0.132	C	C	.	.			trans	-124.5	30.1	179.9	-154.2	0	0	0	0	112	T222 P224 L232	T222-C227 HydrophobicContact CG2-CB 4.35Å; P224-C227 VanDerWaalsContact O-CB 3.25Å; P224-C227 WeakPolarHBondContact O-CB 3.35Å; P224-C227 PolarHBondContact O-N 3.37Å; P224-C227 VanDerWaalsContact O-N 3.11Å; C227-L232 WeakPolarHBondContact O-CD1 3.07Å
228	M	95	Very high	96.6	Very high	73 Å²	73	28.7 Å²	28.7	36%	0.36	13%	0.133	S	C	.	.	S	Bend	trans	-81.6	169.2	179.8	-56.8	-60.2	167.3	0	0	112.2	R230 H231 L232	M228-R230 VanDerWaalsContact C-N 3.29Å; M228-R230 PolarHBondContact O-N 2.78Å; M228-R230 VanDerWaalsContact O-N 3.1Å; M228-H231 WeakPolarHBondContact O-CA 3.48Å; M228-H231 WeakPolarHBondContact O-CB 3.17Å; M228-H231 PolarHBondContact O-N 3.39Å; M228-L232 PolarHBondContact O-N 3.16Å
229	K	96.7	Very high	96.5	Very high	113 Å²	113	29 Å²	29	49%	0.491	14%	0.136	S	C	.	.	H	α-helix	trans	-46.7	-44.3	-175.7	-61.1	-177.1	178.6	-178.6	0	114.6	S233 L273 F461	K229-S233 WeakPolarHBondContact O-CB 3.49Å; K229-S233 PolarHBondContact O-N 2.88Å; K229-S233 VanDerWaalsContact O-N 3.1Å; K229-S233 PolarHBondContact O-OG 2.95Å; K229-L273 HydrophobicContact CG-CD2 4.42Å; K229-F461 HydrophobicContact CB-CD1 4.41Å; K229-F461 HydrophobicContact CB-CD2 3.91Å; K229-F461 HydrophobicContact CB-CE1 4.38Å; K229-F461 HydrophobicContact CB-CE2 3.89Å; K229-F461 HydrophobicContact CB-CG 4.18Å; K229-F461 HydrophobicContact CB-CZ 4.14Å; K229-F461 HydrophobicContact CD-CB 3.79Å; K229-F461 HydrophobicContact CD-CD1 4.23Å; K229-F461 HydrophobicContact CD-CD2 4.23Å; K229-F461 HydrophobicContact CD-CG 3.82Å; K229-F461 HydrophobicContact CG-CB 4.3Å; K229-F461 HydrophobicContact CG-CD1 3.81Å; K229-F461 HydrophobicContact CG-CD2 4.04Å; K229-F461 HydrophobicContact CG-CE1 4.11Å; K229-F461 HydrophobicContact CG-CE2 4.33Å; K229-F461 HydrophobicContact CG-CG 3.77Å; K229-F461 HydrophobicContact CG-CZ 4.37Å
230	R	96.4	Very high	96.5	Very high	156 Å²	156	29.1 Å²	29.1	59%	0.589	14%	0.137	S	C	*	.	H	α-helix	trans	-62.5	-52.6	175.2	-179.6	-177	173.1	-177.8	0	111.3	E179 M228 L232 S233 D234	E179-R230 IonicContact OE2-NH2 2.77Å; E179-R230 PolarHBondContact OE2-NH2 3.34Å; M228-R230 VanDerWaalsContact C-N 3.29Å; M228-R230 PolarHBondContact O-N 2.78Å; M228-R230 VanDerWaalsContact O-N 3.1Å; R230-L232 VanDerWaalsContact C-N 3.35Å; R230-L232 PolarHBondContact O-N 2.91Å; R230-S233 WeakPolarHBondContact O-CB 3.49Å; R230-S233 PolarHBondContact O-N 2.79Å; R230-S233 VanDerWaalsContact O-N 3.11Å; R230-D234 PolarHBondContact O-N 2.99Å
231	H	97.4	Very high	96.5	Very high	34 Å²	34	30.1 Å²	30.1	16%	0.157	14%	0.143	C	C	.	.	H	α-helix	trans	-60.4	-43.1	-178.7	-55.8	134.4	0	0	0	112.1	M175 Y226 M228 S233 D234 M235	M175-H231 HydrophobicContact CE-CB 3.85Å; M175-H231 WeakPolarHBondContact CE-O 3.45Å; Y226-H231 VanDerWaalsContact C-ND1 3.32Å; Y226-H231 WeakPolarHBondContact CA-ND1 3.22Å; Y226-H231 AromaticContact CD1-CE1 3.74Å; Y226-H231 AromaticContact CD1-NE2 3.84Å; Y226-H231 WeakPolarHBondContact O-CB 3.23Å; Y226-H231 PolarHBondContact O-ND1 3.21Å; M228-H231 WeakPolarHBondContact O-CA 3.48Å; M228-H231 WeakPolarHBondContact O-CB 3.17Å; M228-H231 PolarHBondContact O-N 3.39Å; H231-S233 VanDerWaalsContact C-N 3.3Å; H231-S233 PolarHBondContact O-N 2.91Å; H231-D234 WeakPolarHBondContact O-CB 3.35Å; H231-D234 PolarHBondContact O-N 2.81Å; H231-M235 VanDerWaalsContact O-CG 3.22Å; H231-M235 WeakPolarHBondContact O-CG 3.12Å; H231-M235 PolarHBondContact O-N 2.87Å
232	L	98.1	Very high	96.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-62.1	-38.5	175.8	-68.5	175.3	0	0	0	111.8	C227 M228 R230 M235 L236 L243 L273 A274 F279 F461	C227-L232 WeakPolarHBondContact O-CD1 3.07Å; M228-L232 PolarHBondContact O-N 3.16Å; R230-L232 VanDerWaalsContact C-N 3.35Å; R230-L232 PolarHBondContact O-N 2.91Å; L232-M235 HydrophobicContact CD2-SD 4.26Å; L232-M235 PolarHBondContact O-N 3.34Å; L232-L236 WeakPolarHBondContact O-CG 3.46Å; L232-L236 PolarHBondContact O-N 3.32Å; L232-L243 HydrophobicContact CD2-CD1 3.46Å; L232-L243 VanDerWaalsContact CD2-CD1 3.46Å; L232-L273 HydrophobicContact CD1-CB 3.56Å; L232-A274 HydrophobicContact CD2-CB 4.34Å; L232-F279 HydrophobicContact CB-CE2 4.23Å; L232-F279 HydrophobicContact CD2-CD2 3.97Å; L232-F279 HydrophobicContact CD2-CE2 3.75Å; L232-F461 HydrophobicContact CB-CZ 3.99Å; L232-F461 HydrophobicContact CD1-CE1 4.03Å; L232-F461 HydrophobicContact CD1-CZ 4.21Å
233	S	97.7	Very high	96.7	Very high	28 Å²	28	30.2 Å²	30.2	20%	0.196	14%	0.142	C	C	.	.	H	α-helix	trans	-65.7	-41.8	175.7	-60.4	0	0	0	0	112.1	K229 R230 H231 L236 T237 R462	K229-S233 WeakPolarHBondContact O-CB 3.49Å; K229-S233 PolarHBondContact O-N 2.88Å; K229-S233 VanDerWaalsContact O-N 3.1Å; K229-S233 PolarHBondContact O-OG 2.95Å; R230-S233 WeakPolarHBondContact O-CB 3.49Å; R230-S233 PolarHBondContact O-N 2.79Å; R230-S233 VanDerWaalsContact O-N 3.11Å; H231-S233 VanDerWaalsContact C-N 3.3Å; H231-S233 PolarHBondContact O-N 2.91Å; S233-L236 PolarHBondContact O-N 2.93Å; S233-T237 PolarHBondContact O-N 2.86Å; S233-T237 VanDerWaalsContact O-N 3.14Å; S233-T237 PolarHBondContact O-OG1 2.78Å; S233-R462 PolarHBondContact OG-NH1 3.42Å
234	D	97.5	Very high	96.9	Very high	25 Å²	25	30 Å²	30	13%	0.134	14%	0.141	C	C	.	.	H	α-helix	trans	-60.3	-46.8	173.8	-66.4	-7.2	0	0	0	110.6	M175 R182 R230 H231 L236 T237 Y238	M175-D234 HydrophobicContact CE-CB 4.15Å; R182-D234 IonicContact CZ-OD2 2.8Å; R182-D234 IonicContact NH1-OD2 3.06Å; R182-D234 PolarHBondContact NH1-OD2 3.02Å; R182-D234 IonicContact NH2-OD2 3.92Å; R182-D234 PolarHBondContact NH2-OD2 3.21Å; R230-D234 PolarHBondContact O-N 2.99Å; H231-D234 WeakPolarHBondContact O-CB 3.35Å; H231-D234 PolarHBondContact O-N 2.81Å; D234-L236 VanDerWaalsContact C-N 3.33Å; D234-L236 PolarHBondContact O-N 2.7Å; D234-T237 WeakPolarHBondContact O-CA 3.36Å; D234-T237 WeakPolarHBondContact O-CB 3.36Å; D234-T237 PolarHBondContact O-N 3.44Å; D234-T237 VanDerWaalsContact O-N 3.09Å; D234-Y238 HydrophobicContact CB-CE2 4.15Å; D234-Y238 VanDerWaalsContact O-CD1 3.25Å; D234-Y238 WeakPolarHBondContact O-CD1 3.49Å; D234-Y238 PolarHBondContact O-N 3.26Å
235	M	98.2	Very high	97	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-60.8	-39.8	179.1	-69.4	171.7	-179.9	0	0	112.5	M175 I220 T222 H231 L232 T237 Y238 G239 C240 L243 F279	M175-M235 HydrophobicContact CE-CE 3.79Å; M175-M235 HydrophobicContact CE-CG 3.77Å; M175-M235 HydrophobicContact CG-CE 3.32Å; M175-M235 HydrophobicContact SD-CE 3.69Å; M175-M235 HydrophobicContact SD-CG 4Å; I220-M235 HydrophobicContact CD1-CG 4.06Å; I220-M235 HydrophobicContact CG2-CE 4.23Å; T222-M235 HydrophobicContact CG2-CE 4.14Å; H231-M235 VanDerWaalsContact O-CG 3.22Å; H231-M235 WeakPolarHBondContact O-CG 3.12Å; H231-M235 PolarHBondContact O-N 2.87Å; L232-M235 HydrophobicContact CD2-SD 4.26Å; L232-M235 PolarHBondContact O-N 3.34Å; M235-T237 VanDerWaalsContact C-N 3.33Å; M235-Y238 WeakPolarHBondContact O-CB 3.49Å; M235-Y238 PolarHBondContact O-N 3.48Å; M235-G239 PolarHBondContact O-N 2.9Å; M235-C240 HydrophobicContact CB-CB 3.87Å; M235-C240 WeakPolarHBondContact O-CB 3.09Å; M235-C240 PolarHBondContact O-N 3.42Å; M235-L243 HydrophobicContact CE-CD2 4.17Å; M235-L243 HydrophobicContact CG-CD2 4.47Å; M235-L243 HydrophobicContact SD-CD1 4.1Å; M235-L243 HydrophobicContact SD-CD2 3.26Å; M235-L243 WeakPolarHBondContact SD-CD2 3.44Å; M235-L243 HydrophobicContact SD-CG 4.34Å; M235-F279 HydrophobicContact CB-CE1 4.27Å; M235-F279 HydrophobicContact CB-CZ 3.85Å
236	L	98.1	Very high	97.2	Very high	7 Å²	7	28.4 Å²	28.4	4%	0.037	13%	0.134	C	C	.	.	H	α-helix	trans	-61.2	-42.7	173.9	-73.1	169.9	0	0	0	111.1	L232 S233 D234 Y238 G239 F279 I521 P540 Y541	L232-L236 WeakPolarHBondContact O-CG 3.46Å; L232-L236 PolarHBondContact O-N 3.32Å; S233-L236 PolarHBondContact O-N 2.93Å; D234-L236 VanDerWaalsContact C-N 3.33Å; D234-L236 PolarHBondContact O-N 2.7Å; L236-Y238 VanDerWaalsContact C-N 3.29Å; L236-Y238 PolarHBondContact O-N 3Å; L236-G239 PolarHBondContact O-N 3.36Å; L236-G239 VanDerWaalsContact O-N 3.07Å; L236-F279 HydrophobicContact CB-CZ 4.5Å; L236-F279 HydrophobicContact CD2-CE1 4.08Å; L236-F279 HydrophobicContact CD2-CE2 3.87Å; L236-F279 HydrophobicContact CD2-CZ 3.5Å; L236-F279 HydrophobicContact CG-CE2 3.88Å; L236-F279 HydrophobicContact CG-CZ 3.56Å; L236-I521 HydrophobicContact CD2-CD1 3.93Å; L236-I521 HydrophobicContact CD2-CG1 4.4Å; L236-P540 HydrophobicContact CB-CB 3.84Å; L236-P540 HydrophobicContact CB-CG 3.94Å; L236-P540 HydrophobicContact CD1-CG 4.02Å; L236-P540 HydrophobicContact CD2-CB 4.38Å; L236-P540 HydrophobicContact CD2-CG 4.33Å; L236-P540 HydrophobicContact CG-CG 4.31Å; L236-Y541 VanDerWaalsContact CD1-OH 3.29Å; L236-Y541 WeakPolarHBondContact CD1-OH 3.44Å; L236-Y541 HydrophobicContact CD2-CE1 4.15Å
237	T	96.8	Very high	97.3	Very high	45 Å²	45	26 Å²	26	28%	0.276	13%	0.125	S	C	.	.	H	α-helix	trans	-62.8	-36.5	176	-60.6	0	0	0	0	112.1	I201 Y202 S233 D234 M235 G239	I201-T237 HydrophobicContact CG2-CG2 3.92Å; Y202-T237 HydrophobicContact CD1-CG2 4.18Å; Y202-T237 HydrophobicContact CE1-CG2 3.56Å; Y202-T237 HydrophobicContact CE2-CG2 4.44Å; S233-T237 PolarHBondContact O-N 2.86Å; S233-T237 VanDerWaalsContact O-N 3.14Å; S233-T237 PolarHBondContact O-OG1 2.78Å; D234-T237 WeakPolarHBondContact O-CA 3.36Å; D234-T237 WeakPolarHBondContact O-CB 3.36Å; D234-T237 PolarHBondContact O-N 3.44Å; D234-T237 VanDerWaalsContact O-N 3.09Å; M235-T237 VanDerWaalsContact C-N 3.33Å; T237-G239 PolarHBondContact O-N 2.95Å
238	Y	97.6	Very high	97.4	Very high	9 Å²	9	26.5 Å²	26.5	4%	0.035	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-10.5	175.5	-61.3	-13.1	0	0	0	113.4	F174 M175 R182 I186 H190 I201 I218 I220 D234 M235 L236 C240	F174-Y238 HydrophobicContact CE1-CE2 4.28Å; M175-Y238 HydrophobicContact SD-CE2 4.34Å; R182-Y238 HydrophobicContact CB-CE2 4.26Å; R182-Y238 VanDerWaalsContact CB-OH 3.29Å; R182-Y238 WeakPolarHBondContact CB-OH 3.04Å; I186-Y238 HydrophobicContact CB-CG 4.4Å; I186-Y238 HydrophobicContact CD1-CD2 4.5Å; I186-Y238 HydrophobicContact CG1-CD1 4.39Å; I186-Y238 HydrophobicContact CG1-CD2 3.91Å; I186-Y238 HydrophobicContact CG1-CE2 4.39Å; I186-Y238 HydrophobicContact CG1-CG 3.92Å; I186-Y238 HydrophobicContact CG2-CG 4.22Å; H190-Y238 PolarHBondContact NE2-O 3.27Å; I201-Y238 HydrophobicContact CG1-CD1 4.06Å; I218-Y238 WeakPolarHBondContact CD1-O 3.15Å; I220-Y238 HydrophobicContact CD1-CD2 4.11Å; D234-Y238 HydrophobicContact CB-CE2 4.15Å; D234-Y238 VanDerWaalsContact O-CD1 3.25Å; D234-Y238 WeakPolarHBondContact O-CD1 3.49Å; D234-Y238 PolarHBondContact O-N 3.26Å; M235-Y238 WeakPolarHBondContact O-CB 3.49Å; M235-Y238 PolarHBondContact O-N 3.48Å; L236-Y238 VanDerWaalsContact C-N 3.29Å; L236-Y238 PolarHBondContact O-N 3Å; Y238-C240 VanDerWaalsContact C-N 3.35Å
239	G	96.9	Very high	97.6	Very high	6 Å²	6	23.3 Å²	23.3	6%	0.062	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.6	21.6	-172.2	0	0	0	0	0	113.3	M235 L236 T237	M235-G239 PolarHBondContact O-N 2.9Å; L236-G239 PolarHBondContact O-N 3.36Å; L236-G239 VanDerWaalsContact O-N 3.07Å; T237-G239 PolarHBondContact O-N 2.95Å
240	C	98.3	Very high	97.6	Very high	3 Å²	3	18.3 Å²	18.3	2%	0.02	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	141.4	172.2	-170.6	0	0	0	0	110.5	I218 I220 M235 Y238 R242 F279	I218-C240 PolarHBondContact O-SG 3.21Å; I220-C240 HydrophobicContact CD1-CB 4.04Å; M235-C240 HydrophobicContact CB-CB 3.87Å; M235-C240 WeakPolarHBondContact O-CB 3.09Å; M235-C240 PolarHBondContact O-N 3.42Å; Y238-C240 VanDerWaalsContact C-N 3.35Å; C240-R242 PolarHBondContact SG-O 3.2Å; C240-F279 HydrophobicContact CB-CE1 3.94Å; C240-F279 WeakPolarHBondContact O-CE1 3.29Å
241	T	98.3	Very high	97.7	Very high	21 Å²	21	12.7 Å²	12.7	13%	0.129	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	-20.1	-179.5	53.8	0	0	0	0	112.2	G217 I218 K280	G217-T241 WeakPolarHBondContact CA-OG1 3.44Å; I218-T241 PolarHBondContact O-N 2.8Å; I218-T241 PolarHBondContact O-OG1 3.17Å; T241-K280 PolarHBondContact O-N 3.07Å; T241-K280 VanDerWaalsContact O-N 3.09Å
242	R	98.7	Very high	97.7	Very high	16 Å²	16	15.1 Å²	15.1	6%	0.06	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	134.3	-178.1	-174.2	167.5	77.8	-142.5	-11	110.9	E166 I218 T219 I220 C240 K280 V282 Y363	E166-R242 IonicContact OE1-CZ 2.71Å; E166-R242 IonicContact OE1-NE 2.57Å; E166-R242 IonicContact OE1-NH1 3.73Å; E166-R242 PolarHBondContact OE1-NH1 2.9Å; E166-R242 IonicContact OE1-NH2 2.97Å; E166-R242 PolarHBondContact OE1-NH2 2.81Å; I218-R242 PolarHBondContact O-N 2.85Å; T219-R242 VanDerWaalsContact CA-O 3.24Å; T219-R242 WeakPolarHBondContact CA-O 3.36Å; T219-R242 HydrophobicContact CG2-CB 4.25Å; T219-R242 HydrophobicContact CG2-CG 4.18Å; T219-R242 PolarHBondContact OG1-NE 3.41Å; T219-R242 VanDerWaalsContact OG1-NE 3.17Å; T219-R242 PolarHBondContact OG1-NH2 3.42Å; I220-R242 PolarHBondContact N-O 3.24Å; I220-R242 VanDerWaalsContact N-O 3.11Å; C240-R242 PolarHBondContact SG-O 3.2Å; R242-K280 CarbonylContact C-O 3.53Å; R242-K280 WeakPolarHBondContact CA-O 3.39Å; R242-K280 HydrophobicContact CB-CB 4.18Å; R242-K280 HydrophobicContact CG-CB 4Å; R242-K280 HydrophobicContact CG-CD 4.34Å; R242-K280 HydrophobicContact CG-CG 4.09Å; R242-V282 HydrophobicContact CG-CG2 3.99Å; R242-Y363 PolarHBondContact NH1-OH 2.81Å; R242-Y363 VanDerWaalsContact NH1-OH 3.08Å
243	L	98.1	Very high	97.7	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	141.3	173	-52.7	-176.7	0	0	0	109.1	L232 M235 A274 F279 K280 V282	L232-L243 HydrophobicContact CD2-CD1 3.46Å; L232-L243 VanDerWaalsContact CD2-CD1 3.46Å; M235-L243 HydrophobicContact CE-CD2 4.17Å; M235-L243 HydrophobicContact CG-CD2 4.47Å; M235-L243 HydrophobicContact SD-CD1 4.1Å; M235-L243 HydrophobicContact SD-CD2 3.26Å; M235-L243 WeakPolarHBondContact SD-CD2 3.44Å; M235-L243 HydrophobicContact SD-CG 4.34Å; L243-A274 HydrophobicContact CD1-CB 3.78Å; L243-F279 HydrophobicContact CD1-CB 4.11Å; L243-F279 HydrophobicContact CD1-CD1 4.3Å; L243-F279 HydrophobicContact CD1-CD2 3.97Å; L243-F279 HydrophobicContact CD1-CE2 4.46Å; L243-F279 HydrophobicContact CD1-CG 3.88Å; L243-F279 HydrophobicContact CD2-CD1 4.01Å; L243-F279 HydrophobicContact CD2-CE1 4.13Å; L243-F279 HydrophobicContact CD2-CG 4.42Å; L243-F279 HydrophobicContact CG-CB 4.01Å; L243-F279 HydrophobicContact CG-CD1 3.88Å; L243-F279 HydrophobicContact CG-CD2 4.43Å; L243-F279 HydrophobicContact CG-CE1 4.45Å; L243-F279 HydrophobicContact CG-CG 3.87Å; L243-K280 PolarHBondContact N-O 2.85Å; L243-V282 PolarHBondContact O-N 3.02Å
244	E	98.1	Very high	97.7	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.005	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	124.1	166.9	-45	-169.3	168.9	0	0	110.3	T219 I220 E221 T222 V282 H284 K316	T219-E244 HydrophobicContact CG2-CG 3.42Å; T219-E244 VanDerWaalsContact CG2-CG 3.42Å; T219-E244 WeakPolarHBondContact CG2-OE1 3.44Å; I220-E244 PolarHBondContact O-N 2.99Å; E221-E244 WeakPolarHBondContact CA-O 3.27Å; E221-E244 HydrophobicContact CG-CB 4.15Å; E221-E244 HydrophobicContact CG-CG 4.44Å; T222-E244 PolarHBondContact N-O 3.34Å; E244-V282 CarbonylContact C-O 3.51Å; E244-V282 VanDerWaalsContact CA-O 3.25Å; E244-V282 WeakPolarHBondContact CA-O 3.48Å; E244-V282 HydrophobicContact CB-CB 4.4Å; E244-V282 HydrophobicContact CG-CB 4.08Å; E244-V282 HydrophobicContact CG-CG1 4.41Å; E244-H284 WeakPolarHBondContact CB-NE2 3.43Å; E244-H284 IonicContact OE2-CD2 2.94Å; E244-H284 IonicContact OE2-CE1 3.56Å; E244-H284 IonicContact OE2-NE2 3.64Å; E244-H284 PolarHBondContact OE2-NE2 2.89Å; E244-K316 VanDerWaalsContact CD-CE 3.4Å; E244-K316 WeakPolarHBondContact OE1-CE 3.45Å; E244-K316 IonicContact OE1-NZ 2.69Å; E244-K316 PolarHBondContact OE1-NZ 3.38Å; E244-K316 WeakPolarHBondContact OE2-CE 3.48Å; E244-K316 IonicContact OE2-NZ 3.49Å; E244-K316 PolarHBondContact OE2-NZ 3.18Å
245	I	97.7	Very high	97.7	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	125	-171.4	-61.4	171.7	0	0	0	108.4	T222 P224 V247 F271 V281 V282 A283 H284	T222-I245 HydrophobicContact CG2-CG1 4.28Å; P224-I245 HydrophobicContact CB-CG2 4.02Å; P224-I245 HydrophobicContact CG-CG2 4.42Å; I245-V247 HydrophobicContact CG2-CG2 4.16Å; I245-V247 PolarHBondContact O-N 2.88Å; I245-F271 HydrophobicContact CB-CE1 3.95Å; I245-F271 HydrophobicContact CD1-CD1 3.67Å; I245-F271 HydrophobicContact CD1-CE1 3.66Å; I245-F271 HydrophobicContact CG1-CE1 4.36Å; I245-F271 HydrophobicContact CG2-CE1 4.07Å; I245-V281 HydrophobicContact CD1-CG1 4.2Å; I245-V282 PolarHBondContact N-O 2.8Å; I245-A283 WeakPolarHBondContact O-CA 3.18Å; I245-H284 PolarHBondContact O-N 2.62Å
246	G	96.5	Very high	97.6	Very high	5 Å²	5	23.4 Å²	23.4	5%	0.052	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	81.4	177.1	0	0	0	0	0	112.7	T222 R260 H262	T222-G246 PolarHBondContact O-N 3.08Å; G246-R260 PolarHBondContact O-NE 2.96Å; G246-R260 PolarHBondContact O-NH2 3.5Å; G246-H262 PolarHBondContact O-NE2 2.87Å
247	V	97.4	Very high	97.5	Very high	4 Å²	4	26.6 Å²	26.6	2%	0.024	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	-50.4	178.4	-179.3	0	0	0	0	110.8	I245 S249 V267 F271 A283 H284 M285	I245-V247 HydrophobicContact CG2-CG2 4.16Å; I245-V247 PolarHBondContact O-N 2.88Å; V247-S249 WeakPolarHBondContact CG1-O 3.26Å; V247-S249 PolarHBondContact O-N 3.4Å; V247-V267 HydrophobicContact CB-CG1 4.29Å; V247-V267 HydrophobicContact CG1-CG1 4Å; V247-V267 HydrophobicContact CG1-CG2 4.3Å; V247-V267 HydrophobicContact CG2-CG1 3.44Å; V247-V267 VanDerWaalsContact CG2-CG1 3.44Å; V247-V267 HydrophobicContact CG2-CG2 4.25Å; V247-F271 HydrophobicContact CG2-CE1 4.03Å; V247-F271 HydrophobicContact CG2-CZ 3.75Å; V247-A283 HydrophobicContact CB-CB 4.5Å; V247-A283 HydrophobicContact CG2-CB 3.89Å; V247-H284 PolarHBondContact N-O 2.85Å; V247-M285 HydrophobicContact CB-SD 3.73Å; V247-M285 HydrophobicContact CG1-SD 3.67Å
248	Q	96.9	Very high	97.5	Very high	11 Å²	11	24.6 Å²	24.6	5%	0.051	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	68	-50.6	-179.9	-36.8	-52.6	-6.3	0	0	114.5	Y111 H284 M286 L289	Y111-Q248 WeakPolarHBondContact OH-CG 3.37Å; Q248-H284 PolarHBondContact N-O 2.91Å; Q248-H284 PolarHBondContact OE1-O 3.28Å; Q248-M286 HydrophobicContact CB-CB 4.4Å; Q248-M286 HydrophobicContact CB-CG 4.29Å; Q248-M286 HydrophobicContact CB-SD 4.24Å; Q248-M286 HydrophobicContact CG-SD 4.19Å; Q248-M286 PolarHBondContact O-N 2.96Å; Q248-M286 VanDerWaalsContact OE1-CG 3.26Å; Q248-M286 PolarHBondContact OE1-SD 3.19Å; Q248-L289 HydrophobicContact CB-CD1 4.33Å
249	S	97.8	Very high	97.4	Very high	5 Å²	5	26 Å²	26	4%	0.035	13%	0.125	C	C	.	.			trans	-142.5	153.6	176.4	-177	0	0	0	0	111.2	V247 Y251 Q300	V247-S249 WeakPolarHBondContact CG1-O 3.26Å; V247-S249 PolarHBondContact O-N 3.4Å; S249-Y251 VanDerWaalsContact C-N 3.34Å; S249-Y251 WeakPolarHBondContact OG-CD2 3.5Å; S249-Y251 PolarHBondContact OG-N 3.05Å; S249-Q300 PolarHBondContact OG-OE1 2.85Å
250	V	97.9	Very high	97.3	Very high	9 Å²	9	26.7 Å²	26.7	6%	0.055	13%	0.126	C	C	.	.	S	Bend	trans	-87.5	-3.6	172.6	-57	0	0	0	0	112.7	V264 M285 Q300 E303 F304 F310	V250-V264 WeakPolarHBondContact O-CG1 3.28Å; V250-V264 WeakPolarHBondContact O-CG2 3.39Å; V250-M285 HydrophobicContact CG1-CE 3.91Å; V250-Q300 HydrophobicContact CG1-CG 4.23Å; V250-Q300 HydrophobicContact CG2-CB 3.93Å; V250-Q300 HydrophobicContact CG2-CG 3.78Å; V250-E303 WeakPolarHBondContact CG2-OE2 3.49Å; V250-F304 HydrophobicContact CG1-CB 4.13Å; V250-F304 HydrophobicContact CG1-CD2 4.35Å; V250-F310 HydrophobicContact CB-CE2 4.29Å; V250-F310 HydrophobicContact CB-CZ 4.11Å; V250-F310 HydrophobicContact CG1-CE1 4.41Å; V250-F310 HydrophobicContact CG1-CE2 4.01Å; V250-F310 HydrophobicContact CG1-CZ 3.94Å
251	Y	98.4	Very high	97.1	Very high	38 Å²	38	27.5 Å²	27.5	15%	0.149	14%	0.135	C	C	.	.			trans	-100.2	133.7	-176.6	-51.5	-69.2	0	0	0	112.9	S249 D253 V254 A255 R296 Q300	S249-Y251 VanDerWaalsContact C-N 3.34Å; S249-Y251 WeakPolarHBondContact OG-CD2 3.5Å; S249-Y251 PolarHBondContact OG-N 3.05Å; Y251-D253 WeakPolarHBondContact CB-OD1 3.46Å; Y251-V254 HydrophobicContact CD2-CG2 4.2Å; Y251-V254 PolarHBondContact O-N 3.2Å; Y251-A255 PolarHBondContact O-N 3.29Å; Y251-R296 HydrophobicContact CE2-CB 4.25Å; Y251-R296 PolarHBondContact OH-O 2.71Å; Y251-Q300 HydrophobicContact CE2-CB 3.73Å; Y251-Q300 PolarHBondContact OH-N 2.9Å
252	E	97.8	Very high	97	Very high	84 Å²	84	27.6 Å²	27.6	39%	0.393	13%	0.134	S	C	.	.	H	α-helix	trans	-70.4	-32.6	-179.5	-68	-72.4	-171.8	0	0	112.9	A255 R256 T263 V264 K265	E252-A255 PolarHBondContact O-N 3.46Å; E252-R256 WeakPolarHBondContact O-CB 3.39Å; E252-R256 PolarHBondContact O-N 3.46Å; E252-T263 WeakPolarHBondContact OE2-CA 3.38Å; E252-T263 WeakPolarHBondContact OE2-CB 3.34Å; E252-V264 HydrophobicContact CG-CB 4.18Å; E252-V264 HydrophobicContact CG-CG2 4.05Å; E252-V264 WeakPolarHBondContact OE1-CA 3.35Å; E252-V264 VanDerWaalsContact OE1-CB 3.3Å; E252-V264 WeakPolarHBondContact OE1-CB 3.34Å; E252-V264 PolarHBondContact OE1-N 3.06Å; E252-V264 PolarHBondContact OE2-N 3.17Å; E252-K265 PolarHBondContact OE1-N 3.05Å; E252-K265 VanDerWaalsContact OE1-N 3.14Å
253	D	97.9	Very high	96.9	Very high	49 Å²	49	30 Å²	30	26%	0.262	15%	0.151	S	C	.	.	H	α-helix	trans	-61.3	-46.2	174.5	62.6	-29.9	0	0	0	110.8	Y251 A255 R256 D257 R296	Y251-D253 WeakPolarHBondContact CB-OD1 3.46Å; D253-A255 PolarHBondContact O-N 2.57Å; D253-R256 PolarHBondContact O-N 2.75Å; D253-D257 WeakPolarHBondContact O-CB 3.43Å; D253-D257 PolarHBondContact O-N 3.01Å; D253-R296 IonicContact OD1-NH2 3.92Å; D253-R296 PolarHBondContact OD1-NH2 3.29Å; D253-R296 IonicContact OD2-CZ 2.78Å; D253-R296 IonicContact OD2-NH1 2.82Å; D253-R296 PolarHBondContact OD2-NH1 3.02Å; D253-R296 IonicContact OD2-NH2 3.4Å; D253-R296 PolarHBondContact OD2-NH2 2.81Å
254	V	97.5	Very high	96.9	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.012	15%	0.154	C	C	.	.	H	α-helix	trans	-64.1	-43	178.3	-178.4	0	0	0	0	111	Y251 R256 D257 T258 L289 V292	Y251-V254 HydrophobicContact CD2-CG2 4.2Å; Y251-V254 PolarHBondContact O-N 3.2Å; V254-R256 VanDerWaalsContact C-N 3.31Å; V254-R256 PolarHBondContact O-N 2.92Å; V254-D257 PolarHBondContact O-N 2.97Å; V254-T258 HydrophobicContact CG1-CG2 4.14Å; V254-T258 WeakPolarHBondContact O-CB 3.25Å; V254-T258 WeakPolarHBondContact O-CG2 3.44Å; V254-T258 PolarHBondContact O-N 3.24Å; V254-T258 PolarHBondContact O-OG1 3.02Å; V254-L289 HydrophobicContact CG1-CB 4.15Å; V254-L289 HydrophobicContact CG1-CD1 3.79Å; V254-V292 HydrophobicContact CB-CG2 4.41Å; V254-V292 HydrophobicContact CG1-CG2 4.19Å; V254-V292 HydrophobicContact CG2-CG2 3.3Å
255	A	96.7	Very high	96.8	Very high	9 Å²	9	37.1 Å²	37.1	7%	0.074	18%	0.182	C	C	.	.	H	α-helix	trans	-61.5	-39.8	177.7	0	0	0	0	0	112.2	Y251 E252 D253 R260	Y251-A255 PolarHBondContact O-N 3.29Å; E252-A255 PolarHBondContact O-N 3.46Å; D253-A255 PolarHBondContact O-N 2.57Å; A255-R260 HydrophobicContact CB-CB 4.27Å; A255-R260 WeakPolarHBondContact O-CB 3.4Å; A255-R260 PolarHBondContact O-N 3.21Å
256	R	96.5	Very high	96.8	Very high	168 Å²	168	37.8 Å²	37.8	63%	0.634	19%	0.188	S	C	*	.	H	α-helix	trans	-68.6	-53.7	175.2	-178.2	-169.9	63.2	-135	-8.3	111.9	E252 D253 V254 T258 N259	E252-R256 WeakPolarHBondContact O-CB 3.39Å; E252-R256 PolarHBondContact O-N 3.46Å; D253-R256 PolarHBondContact O-N 2.75Å; V254-R256 VanDerWaalsContact C-N 3.31Å; V254-R256 PolarHBondContact O-N 2.92Å; R256-T258 VanDerWaalsContact C-N 3.28Å; R256-T258 PolarHBondContact O-N 2.97Å; R256-N259 PolarHBondContact O-N 3.22Å
257	D	95.3	Very high	96.8	Very high	73 Å²	73	37.6 Å²	37.6	39%	0.39	19%	0.186	S	C	.	.	H	α-helix	trans	-70	-27.8	-170	-64.7	-2	0	0	0	111.8	D253 V254 N259	D253-D257 WeakPolarHBondContact O-CB 3.43Å; D253-D257 PolarHBondContact O-N 3.01Å; V254-D257 PolarHBondContact O-N 2.97Å; D257-N259 VanDerWaalsContact C-N 3.29Å
258	T	96.6	Very high	96.8	Very high	4 Å²	4	38.7 Å²	38.7	3%	0.025	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	5.6	173.9	63.7	0	0	0	0	114	C109 V110 Y111 V254 R256 R260	C109-T258 WeakPolarHBondContact CA-O 3.47Å; V110-T258 WeakPolarHBondContact CG2-O 3.27Å; V110-T258 PolarHBondContact N-O 3.3Å; Y111-T258 HydrophobicContact CD1-CG2 4.33Å; Y111-T258 HydrophobicContact CE1-CG2 4.22Å; V254-T258 HydrophobicContact CG1-CG2 4.14Å; V254-T258 WeakPolarHBondContact O-CB 3.25Å; V254-T258 WeakPolarHBondContact O-CG2 3.44Å; V254-T258 PolarHBondContact O-N 3.24Å; V254-T258 PolarHBondContact O-OG1 3.02Å; R256-T258 VanDerWaalsContact C-N 3.28Å; R256-T258 PolarHBondContact O-N 2.97Å; T258-R260 PolarHBondContact O-N 3.22Å
259	N	96.6	Very high	96.8	Very high	38 Å²	38	42.4 Å²	42.4	20%	0.203	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	49.7	-179.2	-169.7	31.2	0	0	0	112.5	H101 T105 N107 I108 C109 R256 D257 G261	H101-N259 PolarHBondContact NE2-O 2.94Å; T105-N259 WeakPolarHBondContact CB-OD1 3.36Å; T105-N259 WeakPolarHBondContact CG2-OD1 3.42Å; N107-N259 PolarHBondContact O-ND2 3.23Å; I108-N259 PolarHBondContact O-ND2 2.94Å; I108-N259 VanDerWaalsContact O-ND2 3.11Å; C109-N259 PolarHBondContact SG-O 3.44Å; R256-N259 PolarHBondContact O-N 3.22Å; D257-N259 VanDerWaalsContact C-N 3.29Å; N259-G261 VanDerWaalsContact C-N 3.31Å; N259-G261 PolarHBondContact O-N 2.95Å
260	R	95.1	Very high	96.8	Very high	21 Å²	21	42.2 Å²	42.2	8%	0.079	21%	0.21	C	C	.	.			trans	-71	-27.5	-174.3	-175.5	66.6	-163.8	109.3	2.6	113.2	C109 Y111 R223 G246 A255 T258 H262	C109-R260 PolarHBondContact SG-NH1 2.8Å; C109-R260 VanDerWaalsContact SG-NH1 3.45Å; Y111-R260 WeakPolarHBondContact OH-CD 3.33Å; R223-R260 PolarHBondContact NH2-O 2.88Å; G246-R260 PolarHBondContact O-NE 2.96Å; G246-R260 PolarHBondContact O-NH2 3.5Å; A255-R260 HydrophobicContact CB-CB 4.27Å; A255-R260 WeakPolarHBondContact O-CB 3.4Å; A255-R260 PolarHBondContact O-N 3.21Å; T258-R260 PolarHBondContact O-N 3.22Å; R260-H262 VanDerWaalsContact CG-NE2 3.26Å; R260-H262 WeakPolarHBondContact CG-NE2 3.46Å; R260-H262 PolarHBondContact NE-NE2 2.91Å; R260-H262 PolarHBondContact NH2-NE2 3.48Å
261	G	93.9	Very high	96.8	Very high	20 Å²	20	41.8 Å²	41.8	21%	0.206	21%	0.207	C	C	.	.	S	Bend	trans	76.2	16.7	179.5	0	0	0	0	0	114.9	R223 N259	R223-G261 VanDerWaalsContact NH2-C 3.26Å; R223-G261 PolarHBondContact NH2-O 3.16Å; N259-G261 VanDerWaalsContact C-N 3.31Å; N259-G261 PolarHBondContact O-N 2.95Å
262	H	95.2	Very high	96.7	Very high	22 Å²	22	41.4 Å²	41.4	10%	0.102	21%	0.207	C	C	.	.	S	Bend	trans	-151.1	163.9	169	66.9	75	0	0	0	110.1	P224 G246 R260	P224-H262 HydrophobicContact CG-CB 3.93Å; P224-H262 VanDerWaalsContact CG-CD2 3.41Å; P224-H262 WeakPolarHBondContact CG-CD2 3.48Å; G246-H262 PolarHBondContact O-NE2 2.87Å; R260-H262 VanDerWaalsContact CG-NE2 3.26Å; R260-H262 WeakPolarHBondContact CG-NE2 3.46Å; R260-H262 PolarHBondContact NE-NE2 2.91Å; R260-H262 PolarHBondContact NH2-NE2 3.48Å
263	T	96.8	Very high	96.6	Very high	68 Å²	68	38.7 Å²	38.7	42%	0.417	20%	0.195	S	C	.	.			trans	-93.6	166.1	174.1	58.6	0	0	0	0	111.5	E252 K265 A266	E252-T263 WeakPolarHBondContact OE2-CA 3.38Å; E252-T263 WeakPolarHBondContact OE2-CB 3.34Å; T263-K265 VanDerWaalsContact C-N 3.34Å; T263-A266 PolarHBondContact O-N 3.02Å; T263-A266 WeakPolarHBondContact OG1-CB 3.14Å; T263-A266 PolarHBondContact OG1-N 3.5Å
264	V	97.8	Very high	96.6	Very high	12 Å²	12	36.4 Å²	36.4	7%	0.073	18%	0.182	C	C	.	.	H	α-helix	trans	-69.8	-36	170.5	-178.7	0	0	0	0	110	V250 E252 A266 V267 C268 F310	V250-V264 WeakPolarHBondContact O-CG1 3.28Å; V250-V264 WeakPolarHBondContact O-CG2 3.39Å; E252-V264 HydrophobicContact CG-CB 4.18Å; E252-V264 HydrophobicContact CG-CG2 4.05Å; E252-V264 WeakPolarHBondContact OE1-CA 3.35Å; E252-V264 VanDerWaalsContact OE1-CB 3.3Å; E252-V264 WeakPolarHBondContact OE1-CB 3.34Å; E252-V264 PolarHBondContact OE1-N 3.06Å; E252-V264 PolarHBondContact OE2-N 3.17Å; V264-A266 VanDerWaalsContact C-N 3.3Å; V264-A266 PolarHBondContact O-N 2.82Å; V264-V267 WeakPolarHBondContact O-CA 3.47Å; V264-V267 VanDerWaalsContact O-CB 3.25Å; V264-V267 WeakPolarHBondContact O-CB 3.49Å; V264-V267 PolarHBondContact O-N 3.29Å; V264-C268 PolarHBondContact O-N 3.01Å; V264-C268 VanDerWaalsContact O-N 3.12Å; V264-C268 PolarHBondContact O-SG 3.02Å; V264-F310 HydrophobicContact CG1-CE1 3.97Å; V264-F310 HydrophobicContact CG1-CZ 3.6Å
265	K	96.6	Very high	96.6	Very high	137 Å²	137	36.3 Å²	36.3	60%	0.596	18%	0.181	S	C	*	.	H	α-helix	trans	-53.7	-45.3	172.1	-173.8	179.1	179.1	-174	0	112.7	E252 T263 V267 C268 E269	E252-K265 PolarHBondContact OE1-N 3.05Å; E252-K265 VanDerWaalsContact OE1-N 3.14Å; T263-K265 VanDerWaalsContact C-N 3.34Å; K265-V267 PolarHBondContact O-N 2.6Å; K265-C268 PolarHBondContact O-N 3.05Å; K265-C268 VanDerWaalsContact O-N 3.15Å; K265-E269 WeakPolarHBondContact CE-OE1 3.42Å; K265-E269 WeakPolarHBondContact O-CG 3.42Å; K265-E269 PolarHBondContact O-N 3.47Å
266	A	96.7	Very high	96.6	Very high	14 Å²	14	36 Å²	36	12%	0.116	18%	0.178	C	C	.	.	H	α-helix	trans	-62.5	-31.2	177.4	0	0	0	0	0	112.6	T263 V264 S270	T263-A266 PolarHBondContact O-N 3.02Å; T263-A266 WeakPolarHBondContact OG1-CB 3.14Å; T263-A266 PolarHBondContact OG1-N 3.5Å; V264-A266 VanDerWaalsContact C-N 3.3Å; V264-A266 PolarHBondContact O-N 2.82Å; A266-S270 WeakPolarHBondContact O-CB 3.48Å; A266-S270 PolarHBondContact O-N 3.03Å; A266-S270 PolarHBondContact O-OG 3.26Å
267	V	97.9	Very high	96.6	Very high	1 Å²	1	28 Å²	28	1%	0.006	15%	0.148	C	C	.	.	H	α-helix	trans	-63.5	-51.4	172.2	172.3	0	0	0	0	110.3	P224 V247 V264 K265 E269 S270 F271 F310	P224-V267 HydrophobicContact CB-CG2 3.96Å; P224-V267 HydrophobicContact CG-CG2 3.78Å; V247-V267 HydrophobicContact CB-CG1 4.29Å; V247-V267 HydrophobicContact CG1-CG1 4Å; V247-V267 HydrophobicContact CG1-CG2 4.3Å; V247-V267 HydrophobicContact CG2-CG1 3.44Å; V247-V267 VanDerWaalsContact CG2-CG1 3.44Å; V247-V267 HydrophobicContact CG2-CG2 4.25Å; V264-V267 WeakPolarHBondContact O-CA 3.47Å; V264-V267 VanDerWaalsContact O-CB 3.25Å; V264-V267 WeakPolarHBondContact O-CB 3.49Å; V264-V267 PolarHBondContact O-N 3.29Å; K265-V267 PolarHBondContact O-N 2.6Å; V267-E269 VanDerWaalsContact C-N 3.3Å; V267-E269 PolarHBondContact O-N 2.9Å; V267-S270 PolarHBondContact O-N 3.4Å; V267-S270 VanDerWaalsContact O-N 3.13Å; V267-S270 PolarHBondContact O-OG 2.86Å; V267-F271 HydrophobicContact CG1-CD1 4.06Å; V267-F271 HydrophobicContact CG1-CE1 3.73Å; V267-F271 HydrophobicContact CG1-CE2 4.48Å; V267-F271 HydrophobicContact CG1-CZ 3.97Å; V267-F271 WeakPolarHBondContact O-CD1 3.28Å; V267-F271 PolarHBondContact O-N 3.05Å; V267-F310 HydrophobicContact CG1-CD1 4.41Å; V267-F310 HydrophobicContact CG1-CE1 4.21Å
268	C	97.6	Very high	96.7	Very high	27 Å²	27	24.5 Å²	24.5	18%	0.182	13%	0.13	C	C	.	.	H	α-helix	trans	-59.8	-40.9	-178.9	-61	0	0	0	0	112.2	V264 K265 F271 H272 A309 F310 N430	V264-C268 PolarHBondContact O-N 3.01Å; V264-C268 VanDerWaalsContact O-N 3.12Å; V264-C268 PolarHBondContact O-SG 3.02Å; K265-C268 PolarHBondContact O-N 3.05Å; K265-C268 VanDerWaalsContact O-N 3.15Å; C268-F271 PolarHBondContact O-N 2.89Å; C268-H272 PolarHBondContact O-N 3.32Å; C268-A309 HydrophobicContact CB-CB 4.26Å; C268-F310 VanDerWaalsContact SG-CE1 3.53Å; C268-N430 PolarHBondContact O-ND2 2.62Å
269	E	96.2	Very high	96.8	Very high	90 Å²	90	24.3 Å²	24.3	42%	0.421	13%	0.129	S	C	.	.	H	α-helix	trans	-64.3	-43.9	174.5	-70.6	174	-176.3	0	0	111.9	K265 V267 F271 H272 L273	K265-E269 WeakPolarHBondContact CE-OE1 3.42Å; K265-E269 WeakPolarHBondContact O-CG 3.42Å; K265-E269 PolarHBondContact O-N 3.47Å; V267-E269 VanDerWaalsContact C-N 3.3Å; V267-E269 PolarHBondContact O-N 2.9Å; E269-F271 VanDerWaalsContact C-N 3.32Å; E269-F271 PolarHBondContact O-N 3.45Å; E269-H272 WeakPolarHBondContact O-CB 3.37Å; E269-H272 PolarHBondContact O-N 3.26Å; E269-L273 WeakPolarHBondContact O-CG 3.28Å; E269-L273 PolarHBondContact O-N 2.88Å
270	S	97.1	Very high	96.9	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.007	12%	0.121	C	C	.	.	H	α-helix	trans	-63	-37.9	176.7	71.7	0	0	0	0	112.6	A266 V267 A274	A266-S270 WeakPolarHBondContact O-CB 3.48Å; A266-S270 PolarHBondContact O-N 3.03Å; A266-S270 PolarHBondContact O-OG 3.26Å; V267-S270 PolarHBondContact O-N 3.4Å; V267-S270 VanDerWaalsContact O-N 3.13Å; V267-S270 PolarHBondContact O-OG 2.86Å; S270-A274 WeakPolarHBondContact O-CB 3.26Å; S270-A274 PolarHBondContact O-N 3Å
271	F	97.9	Very high	97.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-65	-44.4	176.8	-81.8	24.4	0	0	0	110.8	I245 V247 V267 C268 E269 A274 K275 V281 A283 F310 P312 N430	I245-F271 HydrophobicContact CB-CE1 3.95Å; I245-F271 HydrophobicContact CD1-CD1 3.67Å; I245-F271 HydrophobicContact CD1-CE1 3.66Å; I245-F271 HydrophobicContact CG1-CE1 4.36Å; I245-F271 HydrophobicContact CG2-CE1 4.07Å; V247-F271 HydrophobicContact CG2-CE1 4.03Å; V247-F271 HydrophobicContact CG2-CZ 3.75Å; V267-F271 HydrophobicContact CG1-CD1 4.06Å; V267-F271 HydrophobicContact CG1-CE1 3.73Å; V267-F271 HydrophobicContact CG1-CE2 4.48Å; V267-F271 HydrophobicContact CG1-CZ 3.97Å; V267-F271 WeakPolarHBondContact O-CD1 3.28Å; V267-F271 PolarHBondContact O-N 3.05Å; C268-F271 PolarHBondContact O-N 2.89Å; E269-F271 VanDerWaalsContact C-N 3.32Å; E269-F271 PolarHBondContact O-N 3.45Å; F271-A274 PolarHBondContact O-N 3.14Å; F271-K275 WeakPolarHBondContact O-CB 3.43Å; F271-K275 VanDerWaalsContact O-CG 3.27Å; F271-K275 WeakPolarHBondContact O-CG 3.24Å; F271-K275 PolarHBondContact O-N 3.42Å; F271-V281 HydrophobicContact CD1-CG1 3.69Å; F271-V281 HydrophobicContact CD2-CG1 4.26Å; F271-V281 HydrophobicContact CE1-CG1 3.64Å; F271-V281 HydrophobicContact CE2-CG1 4.22Å; F271-V281 HydrophobicContact CG-CG1 4.01Å; F271-V281 HydrophobicContact CZ-CG1 3.91Å; F271-A283 HydrophobicContact CZ-CB 3.96Å; F271-F310 WeakPolarHBondContact CD2-O 3.3Å; F271-F310 HydrophobicContact CE2-CB 4.38Å; F271-F310 HydrophobicContact CE2-CD1 4.29Å; F271-P312 HydrophobicContact CE2-CB 4.09Å; F271-P312 HydrophobicContact CE2-CG 4.38Å; F271-N430 WeakPolarHBondContact CB-ND2 3.17Å
272	H	96.4	Very high	97.3	Very high	30 Å²	30	21 Å²	21	14%	0.139	11%	0.107	C	C	.	.	H	α-helix	trans	-57.4	-56.2	176.1	178.5	72.3	0	0	0	111.6	C268 E269 A274 K275 D276 N430 E459	C268-H272 PolarHBondContact O-N 3.32Å; E269-H272 WeakPolarHBondContact O-CB 3.37Å; E269-H272 PolarHBondContact O-N 3.26Å; H272-A274 VanDerWaalsContact C-N 3.31Å; H272-A274 PolarHBondContact O-N 2.71Å; H272-K275 PolarHBondContact O-N 3.24Å; H272-D276 IonicContact CE1-OD2 3.38Å; H272-D276 PolarHBondContact CE1-OD2 3.14Å; H272-D276 IonicContact ND1-OD2 3.14Å; H272-D276 IonicContact NE2-OD2 3.44Å; H272-D276 PolarHBondContact NE2-OD2 3.37Å; H272-D276 PolarHBondContact O-N 2.77Å; H272-N430 HydrophobicContact CB-CB 3.83Å; H272-N430 PolarHBondContact CE1-O 2.91Å; H272-N430 PolarHBondContact ND1-O 3.46Å; H272-E459 IonicContact CE1-OE2 3Å; H272-E459 IonicContact NE2-OE2 2.97Å; H272-E459 PolarHBondContact NE2-OE2 3.17Å
273	L	96.8	Very high	97.4	Very high	27 Å²	27	19.9 Å²	19.9	14%	0.141	10%	0.102	C	C	.	.	H	α-helix	trans	-60.2	-39.7	-179.6	-67.9	174.4	0	0	0	112.6	K229 L232 E269 S277 F461	K229-L273 HydrophobicContact CG-CD2 4.42Å; L232-L273 HydrophobicContact CD1-CB 3.56Å; E269-L273 WeakPolarHBondContact O-CG 3.28Å; E269-L273 PolarHBondContact O-N 2.88Å; L273-S277 WeakPolarHBondContact O-CB 3.31Å; L273-S277 PolarHBondContact O-N 3.23Å; L273-S277 VanDerWaalsContact O-N 3.08Å; L273-S277 PolarHBondContact O-OG 2.76Å; L273-F461 HydrophobicContact CD2-CD1 4.13Å; L273-F461 HydrophobicContact CD2-CE1 4.44Å
274	A	97.8	Very high	97.5	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-66.2	-46.4	178.4	0	0	0	0	0	112	L232 L243 S270 F271 H272 S277 G278 F279 V281	L232-A274 HydrophobicContact CD2-CB 4.34Å; L243-A274 HydrophobicContact CD1-CB 3.78Å; S270-A274 WeakPolarHBondContact O-CB 3.26Å; S270-A274 PolarHBondContact O-N 3Å; F271-A274 PolarHBondContact O-N 3.14Å; H272-A274 VanDerWaalsContact C-N 3.31Å; H272-A274 PolarHBondContact O-N 2.71Å; A274-S277 CarbonylContact O-C 3.59Å; A274-S277 PolarHBondContact O-N 3.07Å; A274-G278 PolarHBondContact O-N 2.92Å; A274-F279 HydrophobicContact CB-CB 4.33Å; A274-F279 WeakPolarHBondContact O-CB 3.32Å; A274-F279 PolarHBondContact O-N 3.44Å; A274-V281 HydrophobicContact CB-CG2 3.69Å
275	K	97.8	Very high	97.5	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-64.7	-40.7	178.1	-72.5	-175.2	177.2	167.9	0	112	F271 H272 S277 G278 V281 F310 R311 A429 N430 R454	F271-K275 WeakPolarHBondContact O-CB 3.43Å; F271-K275 VanDerWaalsContact O-CG 3.27Å; F271-K275 WeakPolarHBondContact O-CG 3.24Å; F271-K275 PolarHBondContact O-N 3.42Å; H272-K275 PolarHBondContact O-N 3.24Å; K275-S277 PolarHBondContact O-N 2.94Å; K275-G278 WeakPolarHBondContact O-CA 3.47Å; K275-G278 PolarHBondContact O-N 3.07Å; K275-V281 HydrophobicContact CG-CG2 3.99Å; K275-F310 PolarHBondContact NZ-O 2.8Å; K275-R311 PolarHBondContact NZ-O 3.33Å; K275-A429 HydrophobicContact CD-CB 4.47Å; K275-A429 VanDerWaalsContact NZ-CB 3.3Å; K275-N430 HydrophobicContact CD-CB 4.44Å; K275-N430 WeakPolarHBondContact CD-OD1 3.17Å; K275-N430 WeakPolarHBondContact CE-OD1 3.4Å; K275-N430 PolarHBondContact NZ-OD1 3.44Å; K275-R454 WeakPolarHBondContact O-CD 3.46Å
276	D	95.5	Very high	97.6	Very high	2 Å²	2	10.6 Å²	10.6	1%	0.011	6%	0.055	C	C	.	.	H	α-helix	trans	-73.8	-11.7	176.3	-79.5	-16.4	0	0	0	114.2	H272 R454 S457 T460 L465	H272-D276 IonicContact CE1-OD2 3.38Å; H272-D276 PolarHBondContact CE1-OD2 3.14Å; H272-D276 IonicContact ND1-OD2 3.14Å; H272-D276 IonicContact NE2-OD2 3.44Å; H272-D276 PolarHBondContact NE2-OD2 3.37Å; H272-D276 PolarHBondContact O-N 2.77Å; D276-R454 IonicContact OD1-CZ 3.18Å; D276-R454 IonicContact OD1-NE 2.71Å; D276-R454 PolarHBondContact OD1-NE 3.19Å; D276-R454 IonicContact OD1-NH2 3.9Å; D276-R454 PolarHBondContact OD1-NH2 3.32Å; D276-R454 IonicContact OD2-NH2 3.35Å; D276-S457 VanDerWaalsContact CG-OG 3.32Å; D276-S457 VanDerWaalsContact OD2-CB 3.32Å; D276-S457 WeakPolarHBondContact OD2-CB 3.41Å; D276-S457 PolarHBondContact OD2-OG 3.44Å; D276-T460 PolarHBondContact O-OG1 3.29Å; D276-L465 VanDerWaalsContact O-CD1 3.27Å; D276-L465 WeakPolarHBondContact O-CD1 3.16Å
277	S	97.2	Very high	97.6	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	4.1	165.8	-54.7	0	0	0	0	112.6	L273 A274 K275 F279 F461 Y541	L273-S277 WeakPolarHBondContact O-CB 3.31Å; L273-S277 PolarHBondContact O-N 3.23Å; L273-S277 VanDerWaalsContact O-N 3.08Å; L273-S277 PolarHBondContact O-OG 2.76Å; A274-S277 CarbonylContact O-C 3.59Å; A274-S277 PolarHBondContact O-N 3.07Å; K275-S277 PolarHBondContact O-N 2.94Å; S277-F279 PolarHBondContact O-N 3.44Å; S277-F461 VanDerWaalsContact OG-CE1 3.23Å; S277-F461 WeakPolarHBondContact OG-CE1 3.21Å; S277-Y541 WeakPolarHBondContact O-CE1 3.27Å; S277-Y541 PolarHBondContact O-OH 3.38Å
278	G	97.8	Very high	97.6	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.5	-11.2	177.8	0	0	0	0	0	115.9	A274 K275 I471 R473 I521	A274-G278 PolarHBondContact O-N 2.92Å; K275-G278 WeakPolarHBondContact O-CA 3.47Å; K275-G278 PolarHBondContact O-N 3.07Å; G278-I471 VanDerWaalsContact CA-CD1 3.41Å; G278-R473 WeakPolarHBondContact O-CA 3.16Å; G278-R473 VanDerWaalsContact O-CB 3.23Å; G278-R473 WeakPolarHBondContact O-CB 3.38Å; G278-R473 WeakPolarHBondContact O-CG 3.45Å; G278-I521 WeakPolarHBondContact O-CG2 3.22Å
279	F	98.6	Very high	97.6	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	4%	0.043	C	C	.	.			trans	-60.3	144.4	-173.6	-70.7	-77.6	0	0	0	112.6	L232 M235 L236 C240 L243 A274 S277 R473 I521	L232-F279 HydrophobicContact CB-CE2 4.23Å; L232-F279 HydrophobicContact CD2-CD2 3.97Å; L232-F279 HydrophobicContact CD2-CE2 3.75Å; M235-F279 HydrophobicContact CB-CE1 4.27Å; M235-F279 HydrophobicContact CB-CZ 3.85Å; L236-F279 HydrophobicContact CB-CZ 4.5Å; L236-F279 HydrophobicContact CD2-CE1 4.08Å; L236-F279 HydrophobicContact CD2-CE2 3.87Å; L236-F279 HydrophobicContact CD2-CZ 3.5Å; L236-F279 HydrophobicContact CG-CE2 3.88Å; L236-F279 HydrophobicContact CG-CZ 3.56Å; C240-F279 HydrophobicContact CB-CE1 3.94Å; C240-F279 WeakPolarHBondContact O-CE1 3.29Å; L243-F279 HydrophobicContact CD1-CB 4.11Å; L243-F279 HydrophobicContact CD1-CD1 4.3Å; L243-F279 HydrophobicContact CD1-CD2 3.97Å; L243-F279 HydrophobicContact CD1-CE2 4.46Å; L243-F279 HydrophobicContact CD1-CG 3.88Å; L243-F279 HydrophobicContact CD2-CD1 4.01Å; L243-F279 HydrophobicContact CD2-CE1 4.13Å; L243-F279 HydrophobicContact CD2-CG 4.42Å; L243-F279 HydrophobicContact CG-CB 4.01Å; L243-F279 HydrophobicContact CG-CD1 3.88Å; L243-F279 HydrophobicContact CG-CD2 4.43Å; L243-F279 HydrophobicContact CG-CE1 4.45Å; L243-F279 HydrophobicContact CG-CG 3.87Å; A274-F279 HydrophobicContact CB-CB 4.33Å; A274-F279 WeakPolarHBondContact O-CB 3.32Å; A274-F279 PolarHBondContact O-N 3.44Å; S277-F279 PolarHBondContact O-N 3.44Å; F279-R473 PolarHBondContact O-NE 3.28Å; F279-R473 PolarHBondContact O-NH2 2.89Å; F279-I521 HydrophobicContact CD1-CD1 3.69Å; F279-I521 HydrophobicContact CE1-CD1 3.98Å; F279-I521 HydrophobicContact CG-CD1 4.05Å
280	K	98.5	Very high	97.7	Very high	9 Å²	9	5.1 Å²	5.1	4%	0.039	3%	0.026	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	130.3	160.4	-175.3	171.3	-174.5	172.3	0	109.6	T241 R242 L243 D313 Y363 E474	T241-K280 PolarHBondContact O-N 3.07Å; T241-K280 VanDerWaalsContact O-N 3.09Å; R242-K280 CarbonylContact C-O 3.53Å; R242-K280 WeakPolarHBondContact CA-O 3.39Å; R242-K280 HydrophobicContact CB-CB 4.18Å; R242-K280 HydrophobicContact CG-CB 4Å; R242-K280 HydrophobicContact CG-CD 4.34Å; R242-K280 HydrophobicContact CG-CG 4.09Å; L243-K280 PolarHBondContact N-O 2.85Å; K280-D313 HydrophobicContact CD-CB 4.39Å; K280-D313 HydrophobicContact CG-CB 3.71Å; K280-Y363 VanDerWaalsContact CE-OH 3.22Å; K280-Y363 WeakPolarHBondContact CE-OH 3.34Å; K280-Y363 PolarHBondContact NZ-OH 2.86Å; K280-E474 WeakPolarHBondContact CD-OE2 3.4Å; K280-E474 VanDerWaalsContact CE-OE2 3.27Å; K280-E474 WeakPolarHBondContact CE-OE2 3.47Å; K280-E474 IonicContact NZ-OE1 2.7Å; K280-E474 PolarHBondContact NZ-OE1 3.06Å; K280-E474 IonicContact NZ-OE2 3.25Å; K280-E474 PolarHBondContact NZ-OE2 3.16Å
281	V	98.6	Very high	97.5	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	123.3	-177.1	-179.2	0	0	0	0	110	I245 F271 A274 K275 D313 G314	I245-V281 HydrophobicContact CD1-CG1 4.2Å; F271-V281 HydrophobicContact CD1-CG1 3.69Å; F271-V281 HydrophobicContact CD2-CG1 4.26Å; F271-V281 HydrophobicContact CE1-CG1 3.64Å; F271-V281 HydrophobicContact CE2-CG1 4.22Å; F271-V281 HydrophobicContact CG-CG1 4.01Å; F271-V281 HydrophobicContact CZ-CG1 3.91Å; A274-V281 HydrophobicContact CB-CG2 3.69Å; K275-V281 HydrophobicContact CG-CG2 3.99Å; V281-D313 PolarHBondContact N-OD2 3.19Å; V281-D313 PolarHBondContact O-N 3.45Å; V281-G314 PolarHBondContact O-N 3.47Å
282	V	98.6	Very high	97.4	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	129.4	174.4	177.8	0	0	0	0	108.7	R242 L243 E244 I245 G314 K316 Y363	R242-V282 HydrophobicContact CG-CG2 3.99Å; L243-V282 PolarHBondContact O-N 3.02Å; E244-V282 CarbonylContact C-O 3.51Å; E244-V282 VanDerWaalsContact CA-O 3.25Å; E244-V282 WeakPolarHBondContact CA-O 3.48Å; E244-V282 HydrophobicContact CB-CB 4.4Å; E244-V282 HydrophobicContact CG-CB 4.08Å; E244-V282 HydrophobicContact CG-CG1 4.41Å; I245-V282 PolarHBondContact N-O 2.8Å; V282-G314 WeakPolarHBondContact CA-O 3.33Å; V282-K316 HydrophobicContact CG1-CG 4.24Å; V282-Y363 HydrophobicContact CG1-CD2 4.05Å; V282-Y363 HydrophobicContact CG1-CE2 4.18Å; V282-Y363 HydrophobicContact CG2-CD2 4.3Å; V282-Y363 HydrophobicContact CG2-CE2 3.59Å
283	A	98.3	Very high	97.4	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	143.5	174.3	0	0	0	0	0	110.8	I245 V247 F271 M285 F304 P312 G314 L315 K316	I245-A283 WeakPolarHBondContact O-CA 3.18Å; V247-A283 HydrophobicContact CB-CB 4.5Å; V247-A283 HydrophobicContact CG2-CB 3.89Å; F271-A283 HydrophobicContact CZ-CB 3.96Å; A283-M285 HydrophobicContact CB-CG 4.46Å; A283-F304 HydrophobicContact CB-CE2 3.65Å; A283-F304 HydrophobicContact CB-CZ 3.5Å; A283-P312 HydrophobicContact CB-CB 4.47Å; A283-P312 HydrophobicContact CB-CG 4.17Å; A283-G314 PolarHBondContact N-O 2.98Å; A283-L315 WeakPolarHBondContact O-CA 3.34Å; A283-K316 PolarHBondContact O-N 3.01Å
284	H	97.8	Very high	97.4	Very high	14 Å²	14	13 Å²	13	7%	0.065	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	126.6	160.4	-57	-173.4	0	0	0	107.5	E244 I245 V247 Q248 K316 Y318	E244-H284 WeakPolarHBondContact CB-NE2 3.43Å; E244-H284 IonicContact OE2-CD2 2.94Å; E244-H284 IonicContact OE2-CE1 3.56Å; E244-H284 IonicContact OE2-NE2 3.64Å; E244-H284 PolarHBondContact OE2-NE2 2.89Å; I245-H284 PolarHBondContact O-N 2.62Å; V247-H284 PolarHBondContact N-O 2.85Å; Q248-H284 PolarHBondContact N-O 2.91Å; Q248-H284 PolarHBondContact OE1-O 3.28Å; H284-K316 WeakPolarHBondContact CA-O 3.48Å; H284-Y318 HydrophobicContact CB-CD2 4.32Å; H284-Y318 HydrophobicContact CB-CE2 4.45Å; H284-Y318 AromaticContact ND1-CE2 3.78Å
285	M	98.4	Very high	97.4	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	143.9	175.9	-61.1	-63.9	-71.9	0	0	109.5	V247 V250 A283 Q300 F301 F304 L315 K316 Y318	V247-M285 HydrophobicContact CB-SD 3.73Å; V247-M285 HydrophobicContact CG1-SD 3.67Å; V250-M285 HydrophobicContact CG1-CE 3.91Å; A283-M285 HydrophobicContact CB-CG 4.46Å; M285-Q300 HydrophobicContact CE-CG 3.89Å; M285-F301 HydrophobicContact CB-CE1 3.57Å; M285-F301 HydrophobicContact CB-CZ 3.73Å; M285-F301 HydrophobicContact CG-CE1 3.96Å; M285-F304 HydrophobicContact CE-CD2 3.99Å; M285-F304 HydrophobicContact CE-CE2 4.36Å; M285-F304 HydrophobicContact CE-CG 4.32Å; M285-F304 HydrophobicContact CG-CD2 4.34Å; M285-F304 HydrophobicContact CG-CE1 4.19Å; M285-F304 HydrophobicContact CG-CE2 3.89Å; M285-F304 HydrophobicContact CG-CZ 3.78Å; M285-F304 HydrophobicContact SD-CD2 3.91Å; M285-F304 HydrophobicContact SD-CE2 3.68Å; M285-F304 HydrophobicContact SD-CZ 4.2Å; M285-L315 HydrophobicContact CB-CD1 3.73Å; M285-L315 HydrophobicContact CG-CD1 3.53Å; M285-K316 PolarHBondContact N-O 2.92Å; M285-Y318 PolarHBondContact O-N 3.01Å
286	M	98	Very high	97.4	Very high	7 Å²	7	24 Å²	24	3%	0.034	13%	0.126	C	C	.	.			trans	-125.5	109.3	-177.5	-65.9	179.1	61.2	0	0	110	Y111 Q248 L289 Y318 T320	Y111-M286 HydrophobicContact CD2-CE 3.7Å; Y111-M286 HydrophobicContact CD2-SD 3.94Å; Y111-M286 HydrophobicContact CE2-CE 4.08Å; Y111-M286 HydrophobicContact CE2-SD 3.68Å; Y111-M286 HydrophobicContact CG-CE 4.01Å; Q248-M286 HydrophobicContact CB-CB 4.4Å; Q248-M286 HydrophobicContact CB-CG 4.29Å; Q248-M286 HydrophobicContact CB-SD 4.24Å; Q248-M286 HydrophobicContact CG-SD 4.19Å; Q248-M286 PolarHBondContact O-N 2.96Å; Q248-M286 VanDerWaalsContact OE1-CG 3.26Å; Q248-M286 PolarHBondContact OE1-SD 3.19Å; M286-L289 HydrophobicContact CB-CD1 4.04Å; M286-L289 HydrophobicContact CB-CD2 4.17Å; M286-L289 HydrophobicContact CB-CG 3.97Å; M286-L289 HydrophobicContact CE-CD2 4Å; M286-L289 WeakPolarHBondContact O-CD1 3.43Å; M286-L289 WeakPolarHBondContact O-CG 3.45Å; M286-Y318 VanDerWaalsContact CA-O 3.27Å; M286-Y318 WeakPolarHBondContact CA-O 3.25Å; M286-Y318 WeakPolarHBondContact CB-O 3.33Å; M286-Y318 VanDerWaalsContact CG-O 3.27Å; M286-Y318 WeakPolarHBondContact CG-O 3.31Å; M286-T320 HydrophobicContact CE-CG2 4.43Å
287	P	97.9	Very high	97.5	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.125	C	C	.	.	S	Bend	trans	-75.3	168.4	164.3	29.7	-31	0	0	0	111.2	L289 D297 F301 L317 P319 T320 L348	P287-L289 VanDerWaalsContact C-N 3.27Å; P287-L289 PolarHBondContact O-N 2.89Å; P287-D297 WeakPolarHBondContact CA-OD1 3.41Å; P287-F301 HydrophobicContact CB-CE2 4.22Å; P287-L317 HydrophobicContact CG-CD1 4.04Å; P287-P319 HydrophobicContact CG-CB 4.25Å; P287-P319 HydrophobicContact CG-CG 4.13Å; P287-T320 PolarHBondContact O-N 2.91Å; P287-T320 VanDerWaalsContact O-N 3.09Å; P287-T320 PolarHBondContact O-OG1 2.82Å; P287-L348 HydrophobicContact CB-CD2 3.79Å
288	D	97.6	Very high	97.5	Very high	4 Å²	4	26.1 Å²	26.1	2%	0.021	14%	0.137	C	C	.	.	S	Bend	trans	62.8	32.2	179.5	-160.5	27.9	0	0	0	112.3	D297 T320 Y337 S339 Y340	D288-D297 PolarHBondContact N-OD2 3.14Å; D288-T320 WeakPolarHBondContact O-CB 3.42Å; D288-T320 PolarHBondContact O-OG1 3.48Å; D288-Y337 PolarHBondContact O-OH 3.26Å; D288-Y337 PolarHBondContact OD2-OH 2.9Å; D288-S339 VanDerWaalsContact OD2-CA 3.31Å; D288-S339 WeakPolarHBondContact OD2-CA 3.46Å; D288-S339 WeakPolarHBondContact OD2-CB 3.42Å; D288-Y340 HydrophobicContact CB-CD2 3.62Å; D288-Y340 HydrophobicContact CB-CE2 3.54Å; D288-Y340 HydrophobicContact CB-CG 4.28Å; D288-Y340 WeakPolarHBondContact OD1-CD1 3.34Å; D288-Y340 WeakPolarHBondContact OD1-CE1 3.18Å; D288-Y340 PolarHBondContact OD1-N 2.78Å; D288-Y340 PolarHBondContact OD2-N 3.07Å; D288-Y340 VanDerWaalsContact OD2-N 3.07Å
289	L	97.8	Very high	97.6	Very high	3 Å²	3	31.5 Å²	31.5	2%	0.016	16%	0.162	C	C	.	.			trans	-74.9	153.6	173.5	-78.2	173.3	0	0	0	110.6	Y111 Q248 V254 M286 P287 N291 V292	Y111-L289 HydrophobicContact CD1-CD2 3.66Å; Y111-L289 HydrophobicContact CE1-CD2 3.88Å; Y111-L289 HydrophobicContact CG-CD2 4.31Å; Q248-L289 HydrophobicContact CB-CD1 4.33Å; V254-L289 HydrophobicContact CG1-CB 4.15Å; V254-L289 HydrophobicContact CG1-CD1 3.79Å; M286-L289 HydrophobicContact CB-CD1 4.04Å; M286-L289 HydrophobicContact CB-CD2 4.17Å; M286-L289 HydrophobicContact CB-CG 3.97Å; M286-L289 HydrophobicContact CE-CD2 4Å; M286-L289 WeakPolarHBondContact O-CD1 3.43Å; M286-L289 WeakPolarHBondContact O-CG 3.45Å; P287-L289 VanDerWaalsContact C-N 3.27Å; P287-L289 PolarHBondContact O-N 2.89Å; L289-N291 PolarHBondContact O-N 2.8Å; L289-V292 HydrophobicContact CB-CG2 4.21Å; L289-V292 PolarHBondContact O-N 2.77Å; L289-V292 VanDerWaalsContact O-N 3.11Å
290	P	96.7	Very high	97.6	Very high	11 Å²	11	31.5 Å²	31.5	7%	0.071	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	139.3	174.7	-26.9	35.3	0	0	0	112.3	V292 L328 Y337	P290-V292 PolarHBondContact O-N 2.92Å; P290-L328 HydrophobicContact CG-CD1 3.45Å; P290-L328 VanDerWaalsContact CG-CD1 3.45Å; P290-Y337 HydrophobicContact CB-CD2 4.24Å; P290-Y337 HydrophobicContact CG-CD2 3.98Å; P290-Y337 HydrophobicContact CG-CE2 4.18Å
291	N	94	Very high	97.6	Very high	109 Å²	109	31.1 Å²	31.1	58%	0.583	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.6	11	-179.3	-50.8	-29	0	0	0	115.3	L289 R296	L289-N291 PolarHBondContact O-N 2.8Å; N291-R296 PolarHBondContact O-NH1 3.13Å
292	V	96.1	Very high	97.6	Very high	10 Å²	10	33 Å²	33	6%	0.061	17%	0.172	C	C	.	.			trans	-113.3	119	172.8	-171.9	0	0	0	0	108.9	V254 L289 P290 R296 Y340	V254-V292 HydrophobicContact CB-CG2 4.41Å; V254-V292 HydrophobicContact CG1-CG2 4.19Å; V254-V292 HydrophobicContact CG2-CG2 3.3Å; L289-V292 HydrophobicContact CB-CG2 4.21Å; L289-V292 PolarHBondContact O-N 2.77Å; L289-V292 VanDerWaalsContact O-N 3.11Å; P290-V292 PolarHBondContact O-N 2.92Å; V292-R296 HydrophobicContact CG1-CB 3.7Å; V292-Y340 PolarHBondContact O-OH 2.85Å
293	G	95.8	Very high	97.5	Very high	37 Å²	37	36.3 Å²	36.3	38%	0.381	19%	0.188	S	C	.	.			trans	-90.8	171.9	174.2	0	0	0	0	0	112.7	E295 R296 D297 Y340	G293-E295 VanDerWaalsContact C-N 3.31Å; G293-E295 PolarHBondContact O-N 2.81Å; G293-R296 PolarHBondContact O-N 2.83Å; G293-R296 VanDerWaalsContact O-N 3.09Å; G293-D297 PolarHBondContact O-N 2.97Å; G293-Y340 PolarHBondContact O-OH 2.77Å
294	L	96.5	Very high	97.6	Very high	67 Å²	67	36.3 Å²	36.3	35%	0.351	19%	0.188	S	C	.	.	H	α-helix	trans	-54.3	-42.6	-175.4	-75.3	168.1	0	0	0	113.7	D297 I298 Y340 D344 L348	L294-D297 PolarHBondContact O-N 2.63Å; L294-I298 PolarHBondContact O-N 3.08Å; L294-I298 VanDerWaalsContact O-N 3.16Å; L294-Y340 HydrophobicContact CD2-CD1 4.02Å; L294-Y340 HydrophobicContact CD2-CD2 3.69Å; L294-Y340 HydrophobicContact CD2-CE1 3.83Å; L294-Y340 HydrophobicContact CD2-CE2 3.49Å; L294-Y340 VanDerWaalsContact CD2-CE2 3.49Å; L294-Y340 HydrophobicContact CD2-CG 3.98Å; L294-Y340 HydrophobicContact CG-CD1 4.11Å; L294-Y340 HydrophobicContact CG-CE1 3.71Å; L294-Y340 HydrophobicContact CG-CE2 4.24Å; L294-Y340 PolarHBondContact N-OH 3.07Å; L294-Y340 VanDerWaalsContact N-OH 3.11Å; L294-D344 HydrophobicContact CD1-CB 4.19Å; L294-D344 HydrophobicContact CD2-CB 4.39Å; L294-L348 HydrophobicContact CD2-CB 4.33Å; L294-L348 HydrophobicContact CD2-CD2 4.09Å
295	E	97.1	Very high	97.6	Very high	161 Å²	161	36.2 Å²	36.2	75%	0.752	19%	0.187	S	C	*	.	H	α-helix	trans	-64.2	-47.1	178.6	-66.2	178.1	170.7	0	0	111.1	G293 D297 I298 E299	G293-E295 VanDerWaalsContact C-N 3.31Å; G293-E295 PolarHBondContact O-N 2.81Å; E295-D297 VanDerWaalsContact C-N 3.26Å; E295-D297 PolarHBondContact O-N 3.08Å; E295-I298 PolarHBondContact O-N 3.4Å; E295-I298 VanDerWaalsContact O-N 3.12Å; E295-E299 PolarHBondContact O-N 2.92Å
296	R	97.9	Very high	97.6	Very high	69 Å²	69	42.3 Å²	42.3	26%	0.26	22%	0.215	S	C	.	.	H	α-helix	trans	-61.9	-32.4	176.2	-73.3	-174.4	67.1	-177.3	9.5	112.5	Y251 D253 N291 V292 G293 Q300	Y251-R296 HydrophobicContact CE2-CB 4.25Å; Y251-R296 PolarHBondContact OH-O 2.71Å; D253-R296 IonicContact OD1-NH2 3.92Å; D253-R296 PolarHBondContact OD1-NH2 3.29Å; D253-R296 IonicContact OD2-CZ 2.78Å; D253-R296 IonicContact OD2-NH1 2.82Å; D253-R296 PolarHBondContact OD2-NH1 3.02Å; D253-R296 IonicContact OD2-NH2 3.4Å; D253-R296 PolarHBondContact OD2-NH2 2.81Å; N291-R296 PolarHBondContact O-NH1 3.13Å; V292-R296 HydrophobicContact CG1-CB 3.7Å; G293-R296 PolarHBondContact O-N 2.83Å; G293-R296 VanDerWaalsContact O-N 3.09Å; R296-Q300 WeakPolarHBondContact O-CB 3.3Å; R296-Q300 PolarHBondContact O-N 2.75Å
297	D	98.4	Very high	97.6	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-66.3	-44.5	174.3	-90.9	-36.9	0	0	0	111.1	P287 D288 G293 L294 E295 Q300 F301 Y340 L348	P287-D297 WeakPolarHBondContact CA-OD1 3.41Å; D288-D297 PolarHBondContact N-OD2 3.14Å; G293-D297 PolarHBondContact O-N 2.97Å; L294-D297 PolarHBondContact O-N 2.63Å; E295-D297 VanDerWaalsContact C-N 3.26Å; E295-D297 PolarHBondContact O-N 3.08Å; D297-Q300 WeakPolarHBondContact O-CB 3.32Å; D297-Q300 PolarHBondContact O-N 3.17Å; D297-F301 WeakPolarHBondContact O-CD2 3.02Å; D297-F301 PolarHBondContact O-N 2.81Å; D297-F301 VanDerWaalsContact O-N 3.13Å; D297-Y340 WeakPolarHBondContact OD2-CE2 3.49Å; D297-Y340 PolarHBondContact OD2-OH 3.06Å; D297-L348 HydrophobicContact CB-CD1 4.03Å; D297-L348 HydrophobicContact CB-CD2 4.1Å
298	I	98	Very high	97.6	Very high	47 Å²	47	47 Å²	47	24%	0.241	24%	0.244	C	C	.	.	H	α-helix	trans	-62.1	-46	176.1	-68.3	-68.2	0	0	0	111.2	L294 E295 Q300 F301 T302 L348 R351	L294-I298 PolarHBondContact O-N 3.08Å; L294-I298 VanDerWaalsContact O-N 3.16Å; E295-I298 PolarHBondContact O-N 3.4Å; E295-I298 VanDerWaalsContact O-N 3.12Å; I298-Q300 VanDerWaalsContact C-N 3.32Å; I298-Q300 PolarHBondContact O-N 2.68Å; I298-F301 PolarHBondContact O-N 3.17Å; I298-T302 PolarHBondContact O-N 2.81Å; I298-T302 PolarHBondContact O-OG1 2.79Å; I298-L348 HydrophobicContact CD1-CD1 3.46Å; I298-L348 VanDerWaalsContact CD1-CD1 3.46Å; I298-L348 HydrophobicContact CG1-CD1 3.78Å; I298-R351 HydrophobicContact CD1-CB 3.7Å
299	E	98.4	Very high	97.6	Very high	114 Å²	114	48.1 Å²	48.1	53%	0.533	25%	0.254	S	S	.	.	H	α-helix	trans	-61.1	-41.8	176.5	-71	174.4	175.7	0	0	111.5	E295 F301 T302 E303	E295-E299 PolarHBondContact O-N 2.92Å; E299-F301 VanDerWaalsContact C-N 3.32Å; E299-F301 PolarHBondContact O-N 2.88Å; E299-T302 WeakPolarHBondContact O-CB 3.41Å; E299-T302 PolarHBondContact O-N 2.8Å; E299-E303 PolarHBondContact O-N 2.87Å
300	Q	98.4	Very high	97.6	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-56.3	-45.3	176	159.8	173.4	-57.6	0	0	111.8	S249 V250 Y251 M285 R296 D297 I298 F304	S249-Q300 PolarHBondContact OG-OE1 2.85Å; V250-Q300 HydrophobicContact CG1-CG 4.23Å; V250-Q300 HydrophobicContact CG2-CB 3.93Å; V250-Q300 HydrophobicContact CG2-CG 3.78Å; Y251-Q300 HydrophobicContact CE2-CB 3.73Å; Y251-Q300 PolarHBondContact OH-N 2.9Å; M285-Q300 HydrophobicContact CE-CG 3.89Å; R296-Q300 WeakPolarHBondContact O-CB 3.3Å; R296-Q300 PolarHBondContact O-N 2.75Å; D297-Q300 WeakPolarHBondContact O-CB 3.32Å; D297-Q300 PolarHBondContact O-N 3.17Å; I298-Q300 VanDerWaalsContact C-N 3.32Å; I298-Q300 PolarHBondContact O-N 2.68Å; Q300-F304 WeakPolarHBondContact O-CB 3.46Å; Q300-F304 PolarHBondContact O-N 3.25Å
301	F	98.6	Very high	97.7	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-74.6	-32.3	179.7	-76.3	-73.7	0	0	0	112.8	M285 P287 D297 I298 E299 F304 F305 L315 L317 I352 L355	M285-F301 HydrophobicContact CB-CE1 3.57Å; M285-F301 HydrophobicContact CB-CZ 3.73Å; M285-F301 HydrophobicContact CG-CE1 3.96Å; P287-F301 HydrophobicContact CB-CE2 4.22Å; D297-F301 WeakPolarHBondContact O-CD2 3.02Å; D297-F301 PolarHBondContact O-N 2.81Å; D297-F301 VanDerWaalsContact O-N 3.13Å; I298-F301 PolarHBondContact O-N 3.17Å; E299-F301 VanDerWaalsContact C-N 3.32Å; E299-F301 PolarHBondContact O-N 2.88Å; F301-F304 HydrophobicContact CD1-CD1 4.39Å; F301-F304 PolarHBondContact O-N 2.92Å; F301-F305 HydrophobicContact CB-CE2 4.43Å; F301-F305 HydrophobicContact CD1-CE2 4.39Å; F301-F305 WeakPolarHBondContact O-CD2 3.45Å; F301-F305 PolarHBondContact O-N 2.78Å; F301-L315 HydrophobicContact CE1-CD1 4.48Å; F301-L315 HydrophobicContact CE1-CD2 4.34Å; F301-L317 HydrophobicContact CE1-CD1 3.78Å; F301-L317 HydrophobicContact CE2-CD1 4.18Å; F301-L317 HydrophobicContact CZ-CD1 3.35Å; F301-I352 HydrophobicContact CB-CG1 4.21Å; F301-I352 HydrophobicContact CB-CG2 4.28Å; F301-I352 HydrophobicContact CD1-CG2 3.75Å; F301-I352 HydrophobicContact CD2-CB 4.47Å; F301-I352 HydrophobicContact CD2-CD1 3.36Å; F301-I352 HydrophobicContact CD2-CG1 3.48Å; F301-I352 VanDerWaalsContact CD2-CG1 3.48Å; F301-I352 HydrophobicContact CD2-CG2 4.15Å; F301-I352 HydrophobicContact CE1-CG2 4.11Å; F301-I352 HydrophobicContact CE2-CD1 3.35Å; F301-I352 HydrophobicContact CE2-CG1 4.02Å; F301-I352 HydrophobicContact CG-CB 4.44Å; F301-I352 HydrophobicContact CG-CD1 4.12Å; F301-I352 HydrophobicContact CG-CG1 3.84Å; F301-I352 HydrophobicContact CG-CG2 3.78Å; F301-I352 HydrophobicContact CZ-CD1 4.06Å; F301-I352 HydrophobicContact CZ-CG2 4.5Å; F301-L355 HydrophobicContact CB-CD1 4.3Å
302	T	98.5	Very high	97.9	Very high	40 Å²	40	44.9 Å²	44.9	25%	0.245	23%	0.232	C	C	.	.	H	α-helix	trans	-60.9	-52.9	172.3	-54.5	0	0	0	0	109.8	I298 E299 F304 F305 E306	I298-T302 PolarHBondContact O-N 2.81Å; I298-T302 PolarHBondContact O-OG1 2.79Å; E299-T302 WeakPolarHBondContact O-CB 3.41Å; E299-T302 PolarHBondContact O-N 2.8Å; T302-F304 VanDerWaalsContact C-N 3.33Å; T302-F304 PolarHBondContact O-N 3Å; T302-F305 PolarHBondContact O-N 3Å; T302-E306 HydrophobicContact CG2-CG 4.33Å; T302-E306 WeakPolarHBondContact O-CB 3.28Å; T302-E306 WeakPolarHBondContact O-CG 3.21Å; T302-E306 PolarHBondContact O-N 2.74Å
303	E	98.4	Very high	98	Very high	70 Å²	70	44.4 Å²	44.4	33%	0.327	23%	0.229	S	C	.	.	H	α-helix	trans	-57.6	-46.1	175.7	-174	-175.3	171.3	0	0	111.5	V250 E299 F305 E306 N307	V250-E303 WeakPolarHBondContact CG2-OE2 3.49Å; E299-E303 PolarHBondContact O-N 2.87Å; E303-F305 PolarHBondContact O-N 2.91Å; E303-F305 VanDerWaalsContact O-N 3.17Å; E303-E306 PolarHBondContact O-N 3.36Å; E303-N307 HydrophobicContact CG-CB 3.82Å; E303-N307 WeakPolarHBondContact O-CA 3.38Å; E303-N307 WeakPolarHBondContact O-CB 3.35Å; E303-N307 PolarHBondContact O-N 2.8Å; E303-N307 PolarHBondContact OE1-ND2 2.88Å; E303-N307 VanDerWaalsContact OE1-ND2 3.14Å
304	F	98.5	Very high	98.1	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-58.1	-31.7	-177.8	175.1	-103.7	0	0	0	114	V250 A283 M285 Q300 F301 T302 F310 R311 P312 L315	V250-F304 HydrophobicContact CG1-CB 4.13Å; V250-F304 HydrophobicContact CG1-CD2 4.35Å; A283-F304 HydrophobicContact CB-CE2 3.65Å; A283-F304 HydrophobicContact CB-CZ 3.5Å; M285-F304 HydrophobicContact CE-CD2 3.99Å; M285-F304 HydrophobicContact CE-CE2 4.36Å; M285-F304 HydrophobicContact CE-CG 4.32Å; M285-F304 HydrophobicContact CG-CD2 4.34Å; M285-F304 HydrophobicContact CG-CE1 4.19Å; M285-F304 HydrophobicContact CG-CE2 3.89Å; M285-F304 HydrophobicContact CG-CZ 3.78Å; M285-F304 HydrophobicContact SD-CD2 3.91Å; M285-F304 HydrophobicContact SD-CE2 3.68Å; M285-F304 HydrophobicContact SD-CZ 4.2Å; Q300-F304 WeakPolarHBondContact O-CB 3.46Å; Q300-F304 PolarHBondContact O-N 3.25Å; F301-F304 HydrophobicContact CD1-CD1 4.39Å; F301-F304 PolarHBondContact O-N 2.92Å; T302-F304 VanDerWaalsContact C-N 3.33Å; T302-F304 PolarHBondContact O-N 3Å; F304-F310 HydrophobicContact CD2-CB 4.06Å; F304-F310 HydrophobicContact CD2-CD1 4.46Å; F304-F310 HydrophobicContact CD2-CG 4.22Å; F304-F310 HydrophobicContact CE2-CB 4.5Å; F304-F310 WeakPolarHBondContact O-CB 3.46Å; F304-R311 PolarHBondContact O-N 3.22Å; F304-P312 HydrophobicContact CE1-CG 3.71Å; F304-P312 HydrophobicContact CE2-CG 3.73Å; F304-P312 HydrophobicContact CZ-CB 4.49Å; F304-P312 HydrophobicContact CZ-CG 3.15Å; F304-L315 HydrophobicContact CE1-CD1 4.13Å; F304-L315 HydrophobicContact CZ-CD1 4.27Å
305	F	98.2	Very high	98.2	Very high	12 Å²	12	39.4 Å²	39.4	5%	0.053	19%	0.194	C	C	.	.	H	α-helix	trans	-93.8	-32.3	176.5	-63.5	-54.7	0	0	0	113.5	F301 T302 E303 R311 L315 L355 V356 P357 T360	F301-F305 HydrophobicContact CB-CE2 4.43Å; F301-F305 HydrophobicContact CD1-CE2 4.39Å; F301-F305 WeakPolarHBondContact O-CD2 3.45Å; F301-F305 PolarHBondContact O-N 2.78Å; T302-F305 PolarHBondContact O-N 3Å; E303-F305 PolarHBondContact O-N 2.91Å; E303-F305 VanDerWaalsContact O-N 3.17Å; F305-R311 WeakPolarHBondContact O-CG 3.13Å; F305-R311 PolarHBondContact O-NE 3.3Å; F305-L315 HydrophobicContact CZ-CD2 4.01Å; F305-L355 HydrophobicContact CD2-CB 3.95Å; F305-L355 HydrophobicContact CE2-CB 4.2Å; F305-V356 HydrophobicContact CE2-CG2 4.19Å; F305-V356 HydrophobicContact CZ-CG2 3.87Å; F305-P357 HydrophobicContact CD1-CG 4.13Å; F305-T360 HydrophobicContact CE1-CG2 4.18Å
306	E	98.1	Very high	98.2	Very high	127 Å²	127	32.2 Å²	32.2	59%	0.593	16%	0.16	S	C	*	.	H	α-helix	trans	-85.8	-39.5	-176.6	-68.1	-174.1	171.9	0	0	112.9	T302 E303 R311	T302-E306 HydrophobicContact CG2-CG 4.33Å; T302-E306 WeakPolarHBondContact O-CB 3.28Å; T302-E306 WeakPolarHBondContact O-CG 3.21Å; T302-E306 PolarHBondContact O-N 2.74Å; E303-E306 PolarHBondContact O-N 3.36Å; E306-R311 VanDerWaalsContact O-CZ 3.29Å; E306-R311 PolarHBondContact O-NE 3.33Å; E306-R311 VanDerWaalsContact O-NE 3.13Å; E306-R311 PolarHBondContact O-NH2 2.9Å
307	N	98.3	Very high	98.2	Very high	50 Å²	50	29 Å²	29	27%	0.267	15%	0.148	S	C	.	.	S	Bend	trans	-70.1	121.2	-177.3	-176.8	-14.5	0	0	0	110.4	E303 A309 F310	E303-N307 HydrophobicContact CG-CB 3.82Å; E303-N307 WeakPolarHBondContact O-CA 3.38Å; E303-N307 WeakPolarHBondContact O-CB 3.35Å; E303-N307 PolarHBondContact O-N 2.8Å; E303-N307 PolarHBondContact OE1-ND2 2.88Å; E303-N307 VanDerWaalsContact OE1-ND2 3.14Å; N307-A309 PolarHBondContact O-N 3.43Å; N307-A309 VanDerWaalsContact OD1-CB 3.29Å; N307-A309 WeakPolarHBondContact OD1-CB 3.35Å; N307-A309 PolarHBondContact OD1-N 3.48Å; N307-F310 HydrophobicContact CB-CD2 4.1Å; N307-F310 PolarHBondContact O-N 2.88Å; N307-F310 VanDerWaalsContact O-N 3.08Å
308	P	97.9	Very high	98.2	Very high	56 Å²	56	29.4 Å²	29.4	36%	0.364	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-16.9	-178.8	26.5	-35.4	0	0	0	113.4	F310 V428 A429 N430	P308-F310 PolarHBondContact O-N 3.18Å; P308-V428 HydrophobicContact CB-CG1 4.2Å; P308-A429 CarbonylContact O-C 3.55Å; P308-A429 WeakPolarHBondContact O-CA 3.42Å; P308-N430 PolarHBondContact O-N 3.42Å
309	A	97.8	Very high	98.1	Very high	28 Å²	28	27.4 Å²	27.4	23%	0.231	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-17.2	174.9	0	0	0	0	0	113.8	C268 N307 N430	C268-A309 HydrophobicContact CB-CB 4.26Å; N307-A309 PolarHBondContact O-N 3.43Å; N307-A309 VanDerWaalsContact OD1-CB 3.29Å; N307-A309 WeakPolarHBondContact OD1-CB 3.35Å; N307-A309 PolarHBondContact OD1-N 3.48Å; A309-N430 PolarHBondContact O-ND2 3.48Å
310	F	98.3	Very high	98.1	Very high	2 Å²	2	22 Å²	22	1%	0.009	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-85.1	178.9	-58.4	-71.8	0	0	0	112.2	V250 V264 V267 C268 F271 K275 F304 N307 P308 N430	V250-F310 HydrophobicContact CB-CE2 4.29Å; V250-F310 HydrophobicContact CB-CZ 4.11Å; V250-F310 HydrophobicContact CG1-CE1 4.41Å; V250-F310 HydrophobicContact CG1-CE2 4.01Å; V250-F310 HydrophobicContact CG1-CZ 3.94Å; V264-F310 HydrophobicContact CG1-CE1 3.97Å; V264-F310 HydrophobicContact CG1-CZ 3.6Å; V267-F310 HydrophobicContact CG1-CD1 4.41Å; V267-F310 HydrophobicContact CG1-CE1 4.21Å; C268-F310 VanDerWaalsContact SG-CE1 3.53Å; F271-F310 WeakPolarHBondContact CD2-O 3.3Å; F271-F310 HydrophobicContact CE2-CB 4.38Å; F271-F310 HydrophobicContact CE2-CD1 4.29Å; K275-F310 PolarHBondContact NZ-O 2.8Å; F304-F310 HydrophobicContact CD2-CB 4.06Å; F304-F310 HydrophobicContact CD2-CD1 4.46Å; F304-F310 HydrophobicContact CD2-CG 4.22Å; F304-F310 HydrophobicContact CE2-CB 4.5Å; F304-F310 WeakPolarHBondContact O-CB 3.46Å; N307-F310 HydrophobicContact CB-CD2 4.1Å; N307-F310 PolarHBondContact O-N 2.88Å; N307-F310 VanDerWaalsContact O-N 3.08Å; P308-F310 PolarHBondContact O-N 3.18Å; F310-N430 PolarHBondContact O-OD1 3.28Å
311	R	98	Very high	98	Very high	52 Å²	52	22.7 Å²	22.7	20%	0.196	12%	0.118	C	C	.	.			trans	33.3	62.2	-178.7	-74.3	178.9	-178.4	-176.2	-3.5	114	K275 F304 F305 E306 V428 A429	K275-R311 PolarHBondContact NZ-O 3.33Å; F304-R311 PolarHBondContact O-N 3.22Å; F305-R311 WeakPolarHBondContact O-CG 3.13Å; F305-R311 PolarHBondContact O-NE 3.3Å; E306-R311 VanDerWaalsContact O-CZ 3.29Å; E306-R311 PolarHBondContact O-NE 3.33Å; E306-R311 VanDerWaalsContact O-NE 3.13Å; E306-R311 PolarHBondContact O-NH2 2.9Å; R311-V428 WeakPolarHBondContact CD-O 3Å; R311-V428 PolarHBondContact NH1-O 2.99Å; R311-A429 HydrophobicContact CB-CB 3.93Å
312	P	98.1	Very high	97.9	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.118	C	C	.	.			trans	-76.2	160.7	-177.9	28.5	-28.7	0	0	0	112.1	F271 A283 F304 G314 T360	F271-P312 HydrophobicContact CE2-CB 4.09Å; F271-P312 HydrophobicContact CE2-CG 4.38Å; A283-P312 HydrophobicContact CB-CB 4.47Å; A283-P312 HydrophobicContact CB-CG 4.17Å; F304-P312 HydrophobicContact CE1-CG 3.71Å; F304-P312 HydrophobicContact CE2-CG 3.73Å; F304-P312 HydrophobicContact CZ-CB 4.49Å; F304-P312 HydrophobicContact CZ-CG 3.15Å; P312-G314 PolarHBondContact O-N 3.05Å; P312-T360 PolarHBondContact O-OG1 3.46Å
313	D	98.6	Very high	97.8	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.107	C	C	.	.	S	Bend	trans	-75.4	-15.8	178.4	-51.2	-66.6	0	0	0	112.6	K280 V281 T360 R361 R452 R473	K280-D313 HydrophobicContact CD-CB 4.39Å; K280-D313 HydrophobicContact CG-CB 3.71Å; V281-D313 PolarHBondContact N-OD2 3.19Å; V281-D313 PolarHBondContact O-N 3.45Å; D313-T360 WeakPolarHBondContact O-CA 3.37Å; D313-R361 PolarHBondContact O-N 2.77Å; D313-R452 WeakPolarHBondContact OD1-CD 3.25Å; D313-R452 IonicContact OD1-CZ 2.74Å; D313-R452 IonicContact OD1-NE 3.92Å; D313-R452 IonicContact OD1-NH1 2.81Å; D313-R452 PolarHBondContact OD1-NH1 3.32Å; D313-R473 IonicContact OD1-CZ 3.72Å; D313-R473 IonicContact OD1-NH1 2.82Å; D313-R473 PolarHBondContact OD1-NH1 3.43Å; D313-R473 VanDerWaalsContact OD1-NH1 3.08Å; D313-R473 IonicContact OD1-NH2 3.9Å; D313-R473 IonicContact OD2-CZ 3.19Å; D313-R473 IonicContact OD2-NH1 3.68Å; D313-R473 IonicContact OD2-NH2 4Å; D313-R473 PolarHBondContact OD2-NH2 3.49Å
314	G	98.3	Very high	97.5	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	162.6	178.3	0	0	0	0	0	114.4	V281 V282 A283 P312 R361	V281-G314 PolarHBondContact O-N 3.47Å; V282-G314 WeakPolarHBondContact CA-O 3.33Å; A283-G314 PolarHBondContact N-O 2.98Å; P312-G314 PolarHBondContact O-N 3.05Å; G314-R361 CarbonylContact C-O 3.58Å; G314-R361 WeakPolarHBondContact CA-O 3.23Å
315	L	98.4	Very high	97.1	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	136	-179	175	62	0	0	0	110.1	A283 M285 F301 F304 F305 L317 R361 V362 Y363	A283-L315 WeakPolarHBondContact O-CA 3.34Å; M285-L315 HydrophobicContact CB-CD1 3.73Å; M285-L315 HydrophobicContact CG-CD1 3.53Å; F301-L315 HydrophobicContact CE1-CD1 4.48Å; F301-L315 HydrophobicContact CE1-CD2 4.34Å; F304-L315 HydrophobicContact CE1-CD1 4.13Å; F304-L315 HydrophobicContact CZ-CD1 4.27Å; F305-L315 HydrophobicContact CZ-CD2 4.01Å; L315-L317 HydrophobicContact CD2-CB 4.28Å; L315-L317 HydrophobicContact CG-CB 4.3Å; L315-R361 PolarHBondContact N-O 3.18Å; L315-V362 WeakPolarHBondContact O-CA 3.28Å; L315-Y363 PolarHBondContact O-N 2.66Å
316	K	98	Very high	97	Very high	10 Å²	10	27.7 Å²	27.7	4%	0.043	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	109.7	157.2	-70.1	-171.5	-178.9	176.6	0	107.9	E221 E244 V282 A283 H284 M285 Y318	E221-K316 IonicContact OE1-NZ 3.31Å; E244-K316 VanDerWaalsContact CD-CE 3.4Å; E244-K316 WeakPolarHBondContact OE1-CE 3.45Å; E244-K316 IonicContact OE1-NZ 2.69Å; E244-K316 PolarHBondContact OE1-NZ 3.38Å; E244-K316 WeakPolarHBondContact OE2-CE 3.48Å; E244-K316 IonicContact OE2-NZ 3.49Å; E244-K316 PolarHBondContact OE2-NZ 3.18Å; V282-K316 HydrophobicContact CG1-CG 4.24Å; A283-K316 PolarHBondContact O-N 3.01Å; H284-K316 WeakPolarHBondContact CA-O 3.48Å; M285-K316 PolarHBondContact N-O 2.92Å; K316-Y318 HydrophobicContact CB-CD2 4.43Å; K316-Y318 HydrophobicContact CB-CE1 4.22Å; K316-Y318 HydrophobicContact CB-CE2 3.92Å; K316-Y318 HydrophobicContact CD-CE2 4.3Å; K316-Y318 WeakPolarHBondContact CD-OH 3.22Å
317	L	97.8	Very high	96.9	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	113.6	-177.7	-175.8	63.4	0	0	0	109.2	P287 F301 L315 V349 I352 R364 V365 Q366	P287-L317 HydrophobicContact CG-CD1 4.04Å; F301-L317 HydrophobicContact CE1-CD1 3.78Å; F301-L317 HydrophobicContact CE2-CD1 4.18Å; F301-L317 HydrophobicContact CZ-CD1 3.35Å; L315-L317 HydrophobicContact CD2-CB 4.28Å; L315-L317 HydrophobicContact CG-CB 4.3Å; L317-V349 HydrophobicContact CD2-CG1 3.99Å; L317-V349 HydrophobicContact CD2-CG2 4.16Å; L317-I352 HydrophobicContact CD1-CD1 4.38Å; L317-I352 HydrophobicContact CD2-CD1 4.44Å; L317-I352 HydrophobicContact CD2-CG2 4.15Å; L317-R364 PolarHBondContact N-O 2.75Å; L317-V365 HydrophobicContact CD2-CG1 4.48Å; L317-V365 WeakPolarHBondContact O-CA 3.46Å; L317-Q366 PolarHBondContact O-N 2.85Å
318	Y	96.8	Very high	96.8	Very high	10 Å²	10	21.1 Å²	21.1	4%	0.039	12%	0.124	C	C	.	.			trans	-124.6	88.1	-173.9	-66.6	-32.7	0	0	0	110.7	H284 M285 M286 K316 T320 R364 Q366 R367	H284-Y318 HydrophobicContact CB-CD2 4.32Å; H284-Y318 HydrophobicContact CB-CE2 4.45Å; H284-Y318 AromaticContact ND1-CE2 3.78Å; M285-Y318 PolarHBondContact O-N 3.01Å; M286-Y318 VanDerWaalsContact CA-O 3.27Å; M286-Y318 WeakPolarHBondContact CA-O 3.25Å; M286-Y318 WeakPolarHBondContact CB-O 3.33Å; M286-Y318 VanDerWaalsContact CG-O 3.27Å; M286-Y318 WeakPolarHBondContact CG-O 3.31Å; K316-Y318 HydrophobicContact CB-CD2 4.43Å; K316-Y318 HydrophobicContact CB-CE1 4.22Å; K316-Y318 HydrophobicContact CB-CE2 3.92Å; K316-Y318 HydrophobicContact CD-CE2 4.3Å; K316-Y318 WeakPolarHBondContact CD-OH 3.22Å; Y318-T320 PolarHBondContact O-N 3.33Å; Y318-R364 HydrophobicContact CE1-CB 4Å; Y318-Q366 WeakPolarHBondContact CE1-O 3.11Å; Y318-R367 HydrophobicContact CD1-CB 4.31Å; Y318-R367 HydrophobicContact CD1-CG 3.33Å; Y318-R367 HydrophobicContact CD2-CG 3.94Å; Y318-R367 HydrophobicContact CE1-CB 4.4Å; Y318-R367 HydrophobicContact CE1-CG 3.59Å; Y318-R367 HydrophobicContact CE2-CG 4.15Å; Y318-R367 HydrophobicContact CG-CG 3.5Å; Y318-R367 VanDerWaalsContact CG-CG 3.5Å
319	P	96.9	Very high	96.8	Very high	5 Å²	5	20.8 Å²	20.8	3%	0.032	12%	0.116	C	C	.	.			trans	-50	139.6	170	-26.6	35.7	0	0	0	111.6	P287 L345 V378 L383	P287-P319 HydrophobicContact CG-CB 4.25Å; P287-P319 HydrophobicContact CG-CG 4.13Å; P319-L345 HydrophobicContact CB-CD1 3.88Å; P319-L345 HydrophobicContact CB-CD2 3.94Å; P319-L345 HydrophobicContact CG-CD1 3.99Å; P319-L345 HydrophobicContact CG-CD2 4.31Å; P319-V378 HydrophobicContact CB-CG2 3.89Å; P319-V378 HydrophobicContact CG-CG2 4.3Å; P319-L383 HydrophobicContact CG-CD2 3.76Å
320	T	97.4	Very high	96.7	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.127	C	C	.	.			trans	-62.2	138.2	-177.8	-61.3	0	0	0	0	110.6	M286 P287 D288 Y318 L328	M286-T320 HydrophobicContact CE-CG2 4.43Å; P287-T320 PolarHBondContact O-N 2.91Å; P287-T320 VanDerWaalsContact O-N 3.09Å; P287-T320 PolarHBondContact O-OG1 2.82Å; D288-T320 WeakPolarHBondContact O-CB 3.42Å; D288-T320 PolarHBondContact O-OG1 3.48Å; Y318-T320 PolarHBondContact O-N 3.33Å; T320-L328 HydrophobicContact CG2-CD2 3.34Å
321	L	96.5	Very high	96.7	Very high	15 Å²	15	26 Å²	26	8%	0.079	14%	0.137	C	C	.	.			trans	-123.9	132.7	179.1	-61.4	177.2	0	0	0	108.8	I323 I369 V374 V378	L321-I323 HydrophobicContact CB-CD1 4.35Å; L321-I323 HydrophobicContact CB-CG1 4.29Å; L321-I369 HydrophobicContact CD1-CB 4.31Å; L321-I369 HydrophobicContact CD1-CD1 4.15Å; L321-V374 HydrophobicContact CB-CG1 4.36Å; L321-V374 HydrophobicContact CD1-CG2 4.13Å; L321-V374 HydrophobicContact CD2-CG1 4.02Å; L321-V378 HydrophobicContact CD2-CB 3.79Å; L321-V378 HydrophobicContact CD2-CG2 3.8Å
322	V	97.2	Very high	96.7	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	116.5	172.7	-175.1	0	0	0	0	108.3	L328 Y329 W332 Y337 S375 S376	V322-L328 HydrophobicContact CG2-CD2 4.12Å; V322-L328 HydrophobicContact CG2-CG 4.28Å; V322-Y329 HydrophobicContact CG1-CD2 3.92Å; V322-Y329 HydrophobicContact CG1-CG 4.49Å; V322-W332 HydrophobicContact CG1-CB 3.81Å; V322-W332 HydrophobicContact CG1-CD2 4.15Å; V322-W332 HydrophobicContact CG1-CE3 4.35Å; V322-W332 HydrophobicContact CG1-CG 3.91Å; V322-W332 HydrophobicContact CG2-CB 4.29Å; V322-W332 HydrophobicContact CG2-CG 4.25Å; V322-Y337 HydrophobicContact CG2-CD1 4.01Å; V322-Y337 HydrophobicContact CG2-CE1 3.51Å; V322-S375 PolarHBondContact O-N 3.08Å; V322-S376 PolarHBondContact N-O 3.1Å
323	I	95.5	Very high	96.7	Very high	3 Å²	3	34.7 Å²	34.7	2%	0.015	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	135.9	-177.4	-60.4	169.1	0	0	0	108.4	P113 F120 L321 T326 Y329 I369	P113-I323 HydrophobicContact CB-CB 4.26Å; P113-I323 HydrophobicContact CB-CD1 3.85Å; P113-I323 HydrophobicContact CB-CG2 3.98Å; P113-I323 HydrophobicContact CG-CD1 3.77Å; F120-I323 HydrophobicContact CE2-CG2 4.12Å; F120-I323 HydrophobicContact CZ-CG2 4Å; L321-I323 HydrophobicContact CB-CD1 4.35Å; L321-I323 HydrophobicContact CB-CG1 4.29Å; I323-T326 HydrophobicContact CB-CG2 4.19Å; I323-T326 WeakPolarHBondContact O-CB 3.4Å; I323-T326 WeakPolarHBondContact O-CG2 3.41Å; I323-T326 PolarHBondContact O-N 2.85Å; I323-T326 PolarHBondContact O-OG1 3.42Å; I323-Y329 WeakPolarHBondContact O-CB 3.48Å; I323-I369 HydrophobicContact CD1-CD1 3.54Å; I323-I369 HydrophobicContact CD1-CG2 4.29Å
324	R	92.8	Very high	96.6	Very high	165 Å²	165	37.8 Å²	37.8	62%	0.623	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.1	140.3	177.1	-176.7	178.3	169.4	179.9	-2.4	111.4	T326 Y329	R324-T326 VanDerWaalsContact C-N 3.33Å; R324-Y329 HydrophobicContact CB-CD2 4.41Å; R324-Y329 HydrophobicContact CB-CE2 4.34Å
325	G	90.6	Very high	96.5	Very high	51 Å²	51	40.8 Å²	40.8	53%	0.526	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.2	5.3	180	0	0	0	0	0	114.4
326	T	95.6	Very high	96.4	Very high	7 Å²	7	49.3 Å²	49.3	4%	0.043	26%	0.258	C	S	.	.	S	Bend	trans	-97.4	156.7	172.5	64	0	0	0	0	111.5	P113 I323 R324 L328 Y329	P113-T326 HydrophobicContact CB-CG2 4Å; I323-T326 HydrophobicContact CB-CG2 4.19Å; I323-T326 WeakPolarHBondContact O-CB 3.4Å; I323-T326 WeakPolarHBondContact O-CG2 3.41Å; I323-T326 PolarHBondContact O-N 2.85Å; I323-T326 PolarHBondContact O-OG1 3.42Å; R324-T326 VanDerWaalsContact C-N 3.33Å; T326-L328 PolarHBondContact O-N 3.01Å; T326-Y329 VanDerWaalsContact O-CB 3.31Å; T326-Y329 WeakPolarHBondContact O-CB 3.17Å; T326-Y329 PolarHBondContact O-N 3.23Å; T326-Y329 VanDerWaalsContact O-N 3.12Å; T326-Y329 PolarHBondContact OG1-N 3.24Å
327	G	95.6	Very high	96.4	Very high	40 Å²	40	49.6 Å²	49.6	41%	0.412	26%	0.259	S	S	.	.	H	α-helix	trans	-60.9	-32.6	171.6	0	0	0	0	0	112.4	V110 Y329 E330 L331	V110-G327 CarbonylContact O-C 3.58Å; V110-G327 WeakPolarHBondContact O-CA 3.27Å; V110-G327 PolarHBondContact O-N 2.66Å; G327-Y329 VanDerWaalsContact C-N 3.28Å; G327-Y329 PolarHBondContact O-N 3.41Å; G327-E330 PolarHBondContact O-N 2.92Å; G327-L331 PolarHBondContact O-N 3.44Å
328	L	97.2	Very high	96.3	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-62.4	-34.8	175.2	-173.4	65.3	0	0	0	112.4	V110 P290 T320 V322 T326 E330 L331 W332 Y337	V110-L328 HydrophobicContact CG1-CB 4.13Å; V110-L328 PolarHBondContact O-N 3.3Å; P290-L328 HydrophobicContact CG-CD1 3.45Å; P290-L328 VanDerWaalsContact CG-CD1 3.45Å; T320-L328 HydrophobicContact CG2-CD2 3.34Å; V322-L328 HydrophobicContact CG2-CD2 4.12Å; V322-L328 HydrophobicContact CG2-CG 4.28Å; T326-L328 PolarHBondContact O-N 3.01Å; L328-E330 VanDerWaalsContact C-N 3.3Å; L328-E330 PolarHBondContact O-N 3.46Å; L328-L331 HydrophobicContact CD1-CD1 4.39Å; L328-L331 PolarHBondContact O-N 3Å; L328-W332 WeakPolarHBondContact O-CB 3.48Å; L328-W332 PolarHBondContact O-N 3.43Å; L328-Y337 HydrophobicContact CD1-CD1 3.88Å; L328-Y337 HydrophobicContact CD1-CD2 3.85Å; L328-Y337 HydrophobicContact CD1-CE1 4.11Å; L328-Y337 HydrophobicContact CD1-CE2 4.04Å; L328-Y337 HydrophobicContact CD1-CG 3.75Å; L328-Y337 HydrophobicContact CD2-CE1 4.37Å; L328-Y337 HydrophobicContact CG-CD1 4.32Å; L328-Y337 HydrophobicContact CG-CE1 4.36Å
329	Y	97.3	Very high	96.3	Very high	49 Å²	49	58.2 Å²	58.2	19%	0.192	30%	0.298	C	S	.	.	H	α-helix	trans	-61.4	-37.9	175.7	-177.4	-92.5	0	0	0	112.2	V322 I323 R324 T326 G327 W332 K333	V322-Y329 HydrophobicContact CG1-CD2 3.92Å; V322-Y329 HydrophobicContact CG1-CG 4.49Å; I323-Y329 WeakPolarHBondContact O-CB 3.48Å; R324-Y329 HydrophobicContact CB-CD2 4.41Å; R324-Y329 HydrophobicContact CB-CE2 4.34Å; T326-Y329 VanDerWaalsContact O-CB 3.31Å; T326-Y329 WeakPolarHBondContact O-CB 3.17Å; T326-Y329 PolarHBondContact O-N 3.23Å; T326-Y329 VanDerWaalsContact O-N 3.12Å; T326-Y329 PolarHBondContact OG1-N 3.24Å; G327-Y329 VanDerWaalsContact C-N 3.28Å; G327-Y329 PolarHBondContact O-N 3.41Å; Y329-W332 HydrophobicContact CD2-CE3 4.3Å; Y329-W332 HydrophobicContact CE2-CE3 4.14Å; Y329-W332 HydrophobicContact CE2-CZ3 4.05Å; Y329-W332 PolarHBondContact O-N 3.48Å; Y329-K333 HydrophobicContact CE1-CD 4.23Å; Y329-K333 VanDerWaalsContact O-CB 3.28Å; Y329-K333 WeakPolarHBondContact O-CB 3.25Å; Y329-K333 PolarHBondContact O-N 3.04Å
330	E	96.8	Very high	96.3	Very high	97 Å²	97	59.6 Å²	59.6	45%	0.453	30%	0.303	S	S	.	.	H	α-helix	trans	-71.2	-34.7	176.8	-61.2	-52.9	139.9	0	0	112.3	G327 L328 S334	G327-E330 PolarHBondContact O-N 2.92Å; L328-E330 VanDerWaalsContact C-N 3.3Å; L328-E330 PolarHBondContact O-N 3.46Å; E330-S334 WeakPolarHBondContact O-CB 3.36Å; E330-S334 PolarHBondContact O-N 2.89Å; E330-S334 PolarHBondContact O-OG 3.27Å
331	L	97.3	Very high	96.2	Very high	43 Å²	43	61.6 Å²	61.6	23%	0.225	32%	0.317	C	S	.	.	H	α-helix	trans	-63.6	-43.8	171.4	-64.2	178.6	0	0	0	111.3	V110 G327 L328 S334 G335 R336 Y337	V110-L331 HydrophobicContact CG1-CD1 4.12Å; G327-L331 PolarHBondContact O-N 3.44Å; L328-L331 HydrophobicContact CD1-CD1 4.39Å; L328-L331 PolarHBondContact O-N 3Å; L331-S334 PolarHBondContact O-N 3.13Å; L331-S334 PolarHBondContact O-OG 3.46Å; L331-G335 PolarHBondContact O-N 2.85Å; L331-R336 HydrophobicContact CD2-CB 4.32Å; L331-R336 PolarHBondContact O-N 3.19Å; L331-Y337 PolarHBondContact O-N 2.78Å; L331-Y337 VanDerWaalsContact O-N 3.17Å
332	W	97.9	Very high	96.1	Very high	91 Å²	91	63.3 Å²	63.3	35%	0.345	33%	0.329	S	S	.	.	H	α-helix	trans	-63.2	-48.5	176.4	178.2	77	0	0	0	112	V322 L328 Y329 S334 G335 Y337	V322-W332 HydrophobicContact CG1-CB 3.81Å; V322-W332 HydrophobicContact CG1-CD2 4.15Å; V322-W332 HydrophobicContact CG1-CE3 4.35Å; V322-W332 HydrophobicContact CG1-CG 3.91Å; V322-W332 HydrophobicContact CG2-CB 4.29Å; V322-W332 HydrophobicContact CG2-CG 4.25Å; L328-W332 WeakPolarHBondContact O-CB 3.48Å; L328-W332 PolarHBondContact O-N 3.43Å; Y329-W332 HydrophobicContact CD2-CE3 4.3Å; Y329-W332 HydrophobicContact CE2-CE3 4.14Å; Y329-W332 HydrophobicContact CE2-CZ3 4.05Å; Y329-W332 PolarHBondContact O-N 3.48Å; W332-S334 VanDerWaalsContact C-N 3.27Å; W332-S334 PolarHBondContact O-N 2.65Å; W332-G335 PolarHBondContact O-N 3.11Å; W332-Y337 WeakPolarHBondContact CA-O 3.4Å; W332-Y337 HydrophobicContact CB-CD1 4.2Å
333	K	97.4	Very high	96	Very high	142 Å²	142	67.2 Å²	67.2	62%	0.617	36%	0.356	S	S	*	.	H	α-helix	trans	-61.9	-33.5	179.9	-173.7	-179	176.8	-170.4	0	112.9	Y329 G335	Y329-K333 HydrophobicContact CE1-CD 4.23Å; Y329-K333 VanDerWaalsContact O-CB 3.28Å; Y329-K333 WeakPolarHBondContact O-CB 3.25Å; Y329-K333 PolarHBondContact O-N 3.04Å; K333-G335 VanDerWaalsContact C-N 3.31Å
334	S	97.4	Very high	96	Very high	65 Å²	65	70.4 Å²	70.4	46%	0.455	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	0.3	176.1	56.2	0	0	0	0	114.2	E330 L331 W332 R336	E330-S334 WeakPolarHBondContact O-CB 3.36Å; E330-S334 PolarHBondContact O-N 2.89Å; E330-S334 PolarHBondContact O-OG 3.27Å; L331-S334 PolarHBondContact O-N 3.13Å; L331-S334 PolarHBondContact O-OG 3.46Å; W332-S334 VanDerWaalsContact C-N 3.27Å; W332-S334 PolarHBondContact O-N 2.65Å; S334-R336 VanDerWaalsContact C-N 3.26Å; S334-R336 PolarHBondContact O-N 3.06Å; S334-R336 PolarHBondContact OG-NE 3.19Å; S334-R336 PolarHBondContact OG-NH2 3.49Å
335	G	96.6	Very high	96.2	Very high	63 Å²	63	62.9 Å²	62.9	65%	0.649	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.1	9.3	-178.7	0	0	0	0	0	114.8	L331 W332 K333	L331-G335 PolarHBondContact O-N 2.85Å; W332-G335 PolarHBondContact O-N 3.11Å; K333-G335 VanDerWaalsContact C-N 3.31Å
336	R	95.7	Very high	96.4	Very high	179 Å²	179	61.6 Å²	61.6	68%	0.675	33%	0.327	S	S	*	.	S	Bend	trans	-85.8	-10.1	178.6	-68.1	-176.8	-69.6	170.2	-1.4	113.7	L331 S334	L331-R336 HydrophobicContact CD2-CB 4.32Å; L331-R336 PolarHBondContact O-N 3.19Å; S334-R336 VanDerWaalsContact C-N 3.26Å; S334-R336 PolarHBondContact O-N 3.06Å; S334-R336 PolarHBondContact OG-NE 3.19Å; S334-R336 PolarHBondContact OG-NH2 3.49Å
337	Y	97.6	Very high	96.5	Very high	16 Å²	16	62.8 Å²	62.8	6%	0.063	33%	0.333	C	S	.	.			trans	-136	138	171.9	171.9	-91.8	0	0	0	109.6	D288 P290 V322 L328 L331 W332 S339	D288-Y337 PolarHBondContact O-OH 3.26Å; D288-Y337 PolarHBondContact OD2-OH 2.9Å; P290-Y337 HydrophobicContact CB-CD2 4.24Å; P290-Y337 HydrophobicContact CG-CD2 3.98Å; P290-Y337 HydrophobicContact CG-CE2 4.18Å; V322-Y337 HydrophobicContact CG2-CD1 4.01Å; V322-Y337 HydrophobicContact CG2-CE1 3.51Å; L328-Y337 HydrophobicContact CD1-CD1 3.88Å; L328-Y337 HydrophobicContact CD1-CD2 3.85Å; L328-Y337 HydrophobicContact CD1-CE1 4.11Å; L328-Y337 HydrophobicContact CD1-CE2 4.04Å; L328-Y337 HydrophobicContact CD1-CG 3.75Å; L328-Y337 HydrophobicContact CD2-CE1 4.37Å; L328-Y337 HydrophobicContact CG-CD1 4.32Å; L328-Y337 HydrophobicContact CG-CE1 4.36Å; L331-Y337 PolarHBondContact O-N 2.78Å; L331-Y337 VanDerWaalsContact O-N 3.17Å; W332-Y337 WeakPolarHBondContact CA-O 3.4Å; W332-Y337 HydrophobicContact CB-CD1 4.2Å; Y337-S339 WeakPolarHBondContact CE1-OG 3.41Å
338	K	96.4	Very high	96.6	Very high	183 Å²	183	61.2 Å²	61.2	80%	0.796	31%	0.314	S	S	*	.			trans	-137.7	121.1	174.6	-176.1	-179.5	177.4	-175.4	0	108.2
339	S	96.9	Very high	96.6	Very high	9 Å²	9	61.2 Å²	61.2	6%	0.063	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-63	157	175.3	-39.1	0	0	0	0	111.1	D288 Y337 S376	D288-S339 VanDerWaalsContact OD2-CA 3.31Å; D288-S339 WeakPolarHBondContact OD2-CA 3.46Å; D288-S339 WeakPolarHBondContact OD2-CB 3.42Å; Y337-S339 WeakPolarHBondContact CE1-OG 3.41Å; S339-S376 WeakPolarHBondContact CB-OG 3.18Å; S339-S376 PolarHBondContact OG-OG 3.41Å
340	Y	96.9	Very high	96.6	Very high	34 Å²	34	58.9 Å²	58.9	13%	0.133	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-58.5	155.8	170.6	-62.4	-29.3	0	0	0	112.8	D288 V292 G293 L294 D297 L345 L348	D288-Y340 HydrophobicContact CB-CD2 3.62Å; D288-Y340 HydrophobicContact CB-CE2 3.54Å; D288-Y340 HydrophobicContact CB-CG 4.28Å; D288-Y340 WeakPolarHBondContact OD1-CD1 3.34Å; D288-Y340 WeakPolarHBondContact OD1-CE1 3.18Å; D288-Y340 PolarHBondContact OD1-N 2.78Å; D288-Y340 PolarHBondContact OD2-N 3.07Å; D288-Y340 VanDerWaalsContact OD2-N 3.07Å; V292-Y340 PolarHBondContact O-OH 2.85Å; G293-Y340 PolarHBondContact O-OH 2.77Å; L294-Y340 HydrophobicContact CD2-CD1 4.02Å; L294-Y340 HydrophobicContact CD2-CD2 3.69Å; L294-Y340 HydrophobicContact CD2-CE1 3.83Å; L294-Y340 HydrophobicContact CD2-CE2 3.49Å; L294-Y340 VanDerWaalsContact CD2-CE2 3.49Å; L294-Y340 HydrophobicContact CD2-CG 3.98Å; L294-Y340 HydrophobicContact CG-CD1 4.11Å; L294-Y340 HydrophobicContact CG-CE1 3.71Å; L294-Y340 HydrophobicContact CG-CE2 4.24Å; L294-Y340 PolarHBondContact N-OH 3.07Å; L294-Y340 VanDerWaalsContact N-OH 3.11Å; D297-Y340 WeakPolarHBondContact OD2-CE2 3.49Å; D297-Y340 PolarHBondContact OD2-OH 3.06Å; Y340-L345 HydrophobicContact CD2-CD1 4.42Å; Y340-L348 HydrophobicContact CD2-CD2 4.07Å; Y340-L348 HydrophobicContact CE2-CD2 3.64Å
341	S	95.7	Very high	96.6	Very high	42 Å²	42	60.4 Å²	60.4	29%	0.294	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-66.3	152.6	167.4	78.3	0	0	0	0	110	S343 D344 L345	S341-S343 PolarHBondContact O-N 3.44Å; S341-S343 PolarHBondContact OG-OG 3.44Å; S341-D344 WeakPolarHBondContact CB-OD2 3.31Å; S341-D344 PolarHBondContact O-N 2.85Å; S341-D344 WeakPolarHBondContact OG-CB 3.48Å; S341-D344 PolarHBondContact OG-N 3.47Å; S341-D344 PolarHBondContact OG-OD2 3.35Å; S341-L345 PolarHBondContact O-N 2.91Å
342	P	93.8	Very high	96.7	Very high	50 Å²	50	58.3 Å²	58.3	33%	0.325	30%	0.296	S	S	.	.	H	α-helix	trans	-56	-37.2	177.5	-26.7	34.6	0	0	0	113.3	V346 E379	P342-V346 VanDerWaalsContact O-CG2 3.29Å; P342-V346 WeakPolarHBondContact O-CG2 3.42Å; P342-V346 PolarHBondContact O-N 3.23Å; P342-E379 HydrophobicContact CG-CG 3.89Å; P342-E379 WeakPolarHBondContact CG-OE1 3.22Å; P342-E379 WeakPolarHBondContact CG-OE2 3.44Å
343	S	94.2	Very high	96.6	Very high	83 Å²	83	54 Å²	54	58%	0.58	28%	0.28	S	S	*	.	H	α-helix	trans	-66.6	-45.1	177.4	45.8	0	0	0	0	112.3	S341 L345 V346 E347	S341-S343 PolarHBondContact O-N 3.44Å; S341-S343 PolarHBondContact OG-OG 3.44Å; S343-L345 VanDerWaalsContact C-N 3.3Å; S343-L345 PolarHBondContact O-N 2.83Å; S343-V346 PolarHBondContact O-N 2.8Å; S343-E347 PolarHBondContact O-N 3.19Å
344	D	96.1	Very high	96.6	Very high	70 Å²	70	49.1 Å²	49.1	37%	0.374	27%	0.266	S	S	.	.	H	α-helix	trans	-65.5	-38	179.3	-60.8	-32	0	0	0	110.8	L294 S341 E347 L348	L294-D344 HydrophobicContact CD1-CB 4.19Å; L294-D344 HydrophobicContact CD2-CB 4.39Å; S341-D344 WeakPolarHBondContact CB-OD2 3.31Å; S341-D344 PolarHBondContact O-N 2.85Å; S341-D344 WeakPolarHBondContact OG-CB 3.48Å; S341-D344 PolarHBondContact OG-N 3.47Å; S341-D344 PolarHBondContact OG-OD2 3.35Å; D344-E347 PolarHBondContact O-N 2.97Å; D344-L348 VanDerWaalsContact O-CB 3.27Å; D344-L348 WeakPolarHBondContact O-CB 3.01Å; D344-L348 PolarHBondContact O-N 2.87Å
345	L	96.4	Very high	96.6	Very high	6 Å²	6	49.1 Å²	49.1	3%	0.031	26%	0.261	C	S	.	.	H	α-helix	trans	-66.8	-41.3	177.6	-177.6	59.8	0	0	0	112.2	P319 Y340 S341 S343 L348 V349 V378 L383	P319-L345 HydrophobicContact CB-CD1 3.88Å; P319-L345 HydrophobicContact CB-CD2 3.94Å; P319-L345 HydrophobicContact CG-CD1 3.99Å; P319-L345 HydrophobicContact CG-CD2 4.31Å; Y340-L345 HydrophobicContact CD2-CD1 4.42Å; S341-L345 PolarHBondContact O-N 2.91Å; S343-L345 VanDerWaalsContact C-N 3.3Å; S343-L345 PolarHBondContact O-N 2.83Å; L345-L348 HydrophobicContact CD1-CD2 4.48Å; L345-L348 PolarHBondContact O-N 3.5Å; L345-V349 HydrophobicContact CD1-CG2 4.17Å; L345-V349 WeakPolarHBondContact O-CB 3.32Å; L345-V349 VanDerWaalsContact O-CG2 3.23Å; L345-V349 WeakPolarHBondContact O-CG2 3.25Å; L345-V349 PolarHBondContact O-N 3.3Å; L345-V378 HydrophobicContact CD2-CG2 3.63Å; L345-L383 HydrophobicContact CD2-CD2 4.45Å
346	V	96.6	Very high	96.7	Very high	24 Å²	24	46.4 Å²	46.4	15%	0.145	23%	0.231	C	C	.	.	H	α-helix	trans	-63.1	-44.6	175.5	169.5	0	0	0	0	110.7	P342 S343 V349 A350 L383 L386 R390	P342-V346 VanDerWaalsContact O-CG2 3.29Å; P342-V346 WeakPolarHBondContact O-CG2 3.42Å; P342-V346 PolarHBondContact O-N 3.23Å; S343-V346 PolarHBondContact O-N 2.8Å; V346-V349 PolarHBondContact O-N 2.95Å; V346-A350 WeakPolarHBondContact O-CB 3.49Å; V346-A350 PolarHBondContact O-N 3.36Å; V346-L383 HydrophobicContact CG2-CD1 3.78Å; V346-L386 HydrophobicContact CG1-CB 4.15Å; V346-L386 HydrophobicContact CG2-CB 3.95Å; V346-L386 HydrophobicContact CG2-CD1 4.26Å; V346-R390 HydrophobicContact CG1-CB 3.86Å; V346-R390 HydrophobicContact CG1-CG 4.26Å
347	E	96.6	Very high	96.8	Very high	33 Å²	33	38.6 Å²	38.6	15%	0.154	20%	0.204	C	C	.	.	H	α-helix	trans	-60	-48.2	175.4	179.6	69.6	-163	0	0	111.4	S343 D344 V349 A350 R351 R390	S343-E347 PolarHBondContact O-N 3.19Å; D344-E347 PolarHBondContact O-N 2.97Å; E347-V349 PolarHBondContact O-N 3.46Å; E347-A350 WeakPolarHBondContact O-CB 3.46Å; E347-A350 PolarHBondContact O-N 3.31Å; E347-R351 WeakPolarHBondContact O-CG 3.38Å; E347-R351 PolarHBondContact O-N 2.76Å; E347-R351 IonicContact OE1-CZ 3.38Å; E347-R351 VanDerWaalsContact OE1-CZ 3.29Å; E347-R351 IonicContact OE1-NE 3.29Å; E347-R351 PolarHBondContact OE1-NE 3.1Å; E347-R351 IonicContact OE1-NH2 3.07Å; E347-R351 PolarHBondContact OE1-NH2 2.89Å; E347-R390 IonicContact OE1-NH2 3.16Å; E347-R390 IonicContact OE2-CZ 3.78Å; E347-R390 IonicContact OE2-NE 2.78Å; E347-R390 PolarHBondContact OE2-NE 3.14Å; E347-R390 IonicContact OE2-NH2 3.89Å; E347-R390 PolarHBondContact OE2-NH2 2.98Å
348	L	97.4	Very high	96.8	Very high	6 Å²	6	38.9 Å²	38.9	3%	0.031	21%	0.207	C	C	.	.	H	α-helix	trans	-57.4	-50.2	177.8	175.2	61.9	0	0	0	111.1	P287 L294 D297 I298 Y340 D344 L345 A350 R351 I352	P287-L348 HydrophobicContact CB-CD2 3.79Å; L294-L348 HydrophobicContact CD2-CB 4.33Å; L294-L348 HydrophobicContact CD2-CD2 4.09Å; D297-L348 HydrophobicContact CB-CD1 4.03Å; D297-L348 HydrophobicContact CB-CD2 4.1Å; I298-L348 HydrophobicContact CD1-CD1 3.46Å; I298-L348 VanDerWaalsContact CD1-CD1 3.46Å; I298-L348 HydrophobicContact CG1-CD1 3.78Å; Y340-L348 HydrophobicContact CD2-CD2 4.07Å; Y340-L348 HydrophobicContact CE2-CD2 3.64Å; D344-L348 VanDerWaalsContact O-CB 3.27Å; D344-L348 WeakPolarHBondContact O-CB 3.01Å; D344-L348 PolarHBondContact O-N 2.87Å; L345-L348 HydrophobicContact CD1-CD2 4.48Å; L345-L348 PolarHBondContact O-N 3.5Å; L348-A350 VanDerWaalsContact C-N 3.34Å; L348-A350 PolarHBondContact O-N 3.39Å; L348-R351 PolarHBondContact O-N 3.05Å; L348-I352 HydrophobicContact CD1-CD1 3.89Å; L348-I352 HydrophobicContact CD1-CG1 4.23Å; L348-I352 HydrophobicContact CD2-CD1 4.45Å; L348-I352 HydrophobicContact CG-CD1 3.74Å; L348-I352 HydrophobicContact CG-CG1 4.48Å; L348-I352 VanDerWaalsContact O-CG1 3.26Å; L348-I352 WeakPolarHBondContact O-CG1 3.48Å; L348-I352 PolarHBondContact O-N 3.32Å
349	V	97.4	Very high	96.8	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-63.4	-40	179.8	172.9	0	0	0	0	111.4	L317 L345 V346 E347 R351 I352 L353 V365 L383 A387	L317-V349 HydrophobicContact CD2-CG1 3.99Å; L317-V349 HydrophobicContact CD2-CG2 4.16Å; L345-V349 HydrophobicContact CD1-CG2 4.17Å; L345-V349 WeakPolarHBondContact O-CB 3.32Å; L345-V349 VanDerWaalsContact O-CG2 3.23Å; L345-V349 WeakPolarHBondContact O-CG2 3.25Å; L345-V349 PolarHBondContact O-N 3.3Å; V346-V349 PolarHBondContact O-N 2.95Å; E347-V349 PolarHBondContact O-N 3.46Å; V349-R351 VanDerWaalsContact C-N 3.33Å; V349-R351 PolarHBondContact O-N 2.85Å; V349-I352 PolarHBondContact O-N 2.75Å; V349-L353 HydrophobicContact CG1-CD1 4.18Å; V349-L353 HydrophobicContact CG1-CG 4.34Å; V349-L353 WeakPolarHBondContact O-CB 3.3Å; V349-L353 VanDerWaalsContact O-CG 3.3Å; V349-L353 WeakPolarHBondContact O-CG 3.35Å; V349-L353 PolarHBondContact O-N 3.28Å; V349-V365 HydrophobicContact CG1-CG1 3.62Å; V349-L383 HydrophobicContact CG2-CD2 4.24Å; V349-A387 HydrophobicContact CB-CB 4.19Å; V349-A387 HydrophobicContact CG1-CB 3.61Å
350	A	97.3	Very high	96.9	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.008	17%	0.174	C	C	.	.	H	α-helix	trans	-59.2	-44	175.5	0	0	0	0	0	111.7	V346 E347 L348 L353 A354 R390 M391	V346-A350 WeakPolarHBondContact O-CB 3.49Å; V346-A350 PolarHBondContact O-N 3.36Å; E347-A350 WeakPolarHBondContact O-CB 3.46Å; E347-A350 PolarHBondContact O-N 3.31Å; L348-A350 VanDerWaalsContact C-N 3.34Å; L348-A350 PolarHBondContact O-N 3.39Å; A350-L353 PolarHBondContact O-N 3.15Å; A350-A354 PolarHBondContact O-N 2.93Å; A350-A354 VanDerWaalsContact O-N 3.17Å; A350-R390 HydrophobicContact CB-CB 4.18Å; A350-R390 HydrophobicContact CB-CG 4.04Å; A350-M391 HydrophobicContact CB-CG 3.62Å
351	R	97.4	Very high	96.9	Very high	128 Å²	128	31 Å²	31	48%	0.483	17%	0.171	S	C	.	.	H	α-helix	trans	-66.5	-42.7	175.7	-68.2	179.9	-175.6	-151.7	2	112.5	I298 E347 L348 V349 L353 A354 L355	I298-R351 HydrophobicContact CD1-CB 3.7Å; E347-R351 WeakPolarHBondContact O-CG 3.38Å; E347-R351 PolarHBondContact O-N 2.76Å; E347-R351 IonicContact OE1-CZ 3.38Å; E347-R351 VanDerWaalsContact OE1-CZ 3.29Å; E347-R351 IonicContact OE1-NE 3.29Å; E347-R351 PolarHBondContact OE1-NE 3.1Å; E347-R351 IonicContact OE1-NH2 3.07Å; E347-R351 PolarHBondContact OE1-NH2 2.89Å; L348-R351 PolarHBondContact O-N 3.05Å; V349-R351 VanDerWaalsContact C-N 3.33Å; V349-R351 PolarHBondContact O-N 2.85Å; R351-L353 VanDerWaalsContact C-N 3.32Å; R351-L353 PolarHBondContact O-N 2.79Å; R351-A354 VanDerWaalsContact O-CB 3.32Å; R351-A354 WeakPolarHBondContact O-CB 3.41Å; R351-A354 PolarHBondContact O-N 3.2Å; R351-A354 VanDerWaalsContact O-N 3.14Å; R351-L355 PolarHBondContact O-N 3.19Å
352	I	97.9	Very high	97	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-59.6	-44.1	175.8	-66.9	163	0	0	0	110.7	F301 L317 L348 V349 A354 L355 V356	F301-I352 HydrophobicContact CB-CG1 4.21Å; F301-I352 HydrophobicContact CB-CG2 4.28Å; F301-I352 HydrophobicContact CD1-CG2 3.75Å; F301-I352 HydrophobicContact CD2-CB 4.47Å; F301-I352 HydrophobicContact CD2-CD1 3.36Å; F301-I352 HydrophobicContact CD2-CG1 3.48Å; F301-I352 VanDerWaalsContact CD2-CG1 3.48Å; F301-I352 HydrophobicContact CD2-CG2 4.15Å; F301-I352 HydrophobicContact CE1-CG2 4.11Å; F301-I352 HydrophobicContact CE2-CD1 3.35Å; F301-I352 HydrophobicContact CE2-CG1 4.02Å; F301-I352 HydrophobicContact CG-CB 4.44Å; F301-I352 HydrophobicContact CG-CD1 4.12Å; F301-I352 HydrophobicContact CG-CG1 3.84Å; F301-I352 HydrophobicContact CG-CG2 3.78Å; F301-I352 HydrophobicContact CZ-CD1 4.06Å; F301-I352 HydrophobicContact CZ-CG2 4.5Å; L317-I352 HydrophobicContact CD1-CD1 4.38Å; L317-I352 HydrophobicContact CD2-CD1 4.44Å; L317-I352 HydrophobicContact CD2-CG2 4.15Å; L348-I352 HydrophobicContact CD1-CD1 3.89Å; L348-I352 HydrophobicContact CD1-CG1 4.23Å; L348-I352 HydrophobicContact CD2-CD1 4.45Å; L348-I352 HydrophobicContact CG-CD1 3.74Å; L348-I352 HydrophobicContact CG-CG1 4.48Å; L348-I352 VanDerWaalsContact O-CG1 3.26Å; L348-I352 WeakPolarHBondContact O-CG1 3.48Å; L348-I352 PolarHBondContact O-N 3.32Å; V349-I352 PolarHBondContact O-N 2.75Å; I352-A354 PolarHBondContact O-N 3.33Å; I352-L355 WeakPolarHBondContact O-CB 3.39Å; I352-L355 PolarHBondContact O-N 2.84Å; I352-L355 VanDerWaalsContact O-N 3.11Å; I352-V356 PolarHBondContact O-N 2.85Å
353	L	97.8	Very high	97	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-64.4	-28.7	178.5	-71.3	179.1	0	0	0	112.8	V349 A350 R351 L355 V356 V362 V365 A387 M391	V349-L353 HydrophobicContact CG1-CD1 4.18Å; V349-L353 HydrophobicContact CG1-CG 4.34Å; V349-L353 WeakPolarHBondContact O-CB 3.3Å; V349-L353 VanDerWaalsContact O-CG 3.3Å; V349-L353 WeakPolarHBondContact O-CG 3.35Å; V349-L353 PolarHBondContact O-N 3.28Å; A350-L353 PolarHBondContact O-N 3.15Å; R351-L353 VanDerWaalsContact C-N 3.32Å; R351-L353 PolarHBondContact O-N 2.79Å; L353-L355 VanDerWaalsContact C-N 3.33Å; L353-V356 HydrophobicContact CD2-CG2 4.47Å; L353-V356 PolarHBondContact O-N 2.78Å; L353-V362 HydrophobicContact CD2-CB 4.39Å; L353-V362 HydrophobicContact CD2-CG1 4.16Å; L353-V362 HydrophobicContact CD2-CG2 3.93Å; L353-V365 HydrophobicContact CD2-CG2 4.37Å; L353-A387 HydrophobicContact CD1-CB 4.1Å; L353-M391 HydrophobicContact CB-CE 4.14Å; L353-M391 HydrophobicContact CB-SD 3.67Å; L353-M391 HydrophobicContact CD1-SD 4.18Å
354	A	96.9	Very high	96.9	Very high	39 Å²	39	28.9 Å²	28.9	32%	0.322	14%	0.138	S	C	.	.	H	α-helix	trans	-68.5	-30.3	173.4	0	0	0	0	0	113.1	A350 R351 I352 V356 M391 I396	A350-A354 PolarHBondContact O-N 2.93Å; A350-A354 VanDerWaalsContact O-N 3.17Å; R351-A354 VanDerWaalsContact O-CB 3.32Å; R351-A354 WeakPolarHBondContact O-CB 3.41Å; R351-A354 PolarHBondContact O-N 3.2Å; R351-A354 VanDerWaalsContact O-N 3.14Å; I352-A354 PolarHBondContact O-N 3.33Å; A354-V356 VanDerWaalsContact C-N 3.31Å; A354-M391 HydrophobicContact CB-CE 4.08Å; A354-I396 HydrophobicContact CB-CG2 3.48Å; A354-I396 VanDerWaalsContact CB-CG2 3.48Å
355	L	97.3	Very high	96.8	Very high	66 Å²	66	26 Å²	26	35%	0.346	12%	0.123	S	C	.	.	H	α-helix	trans	-78.1	-14.3	178.3	-61.7	173.8	0	0	0	113.2	F301 F305 R351 I352 L353 P357	F301-L355 HydrophobicContact CB-CD1 4.3Å; F305-L355 HydrophobicContact CD2-CB 3.95Å; F305-L355 HydrophobicContact CE2-CB 4.2Å; R351-L355 PolarHBondContact O-N 3.19Å; I352-L355 WeakPolarHBondContact O-CB 3.39Å; I352-L355 PolarHBondContact O-N 2.84Å; I352-L355 VanDerWaalsContact O-N 3.11Å; L353-L355 VanDerWaalsContact C-N 3.33Å; L355-P357 WeakPolarHBondContact O-CD 3.49Å
356	V	98.1	Very high	96.5	Very high	5 Å²	5	27.4 Å²	27.4	3%	0.03	13%	0.129	C	C	.	.			trans	-66.3	120.3	-173.5	179.8	0	0	0	0	110.1	F305 I352 L353 A354 T360 V362 D400	F305-V356 HydrophobicContact CE2-CG2 4.19Å; F305-V356 HydrophobicContact CZ-CG2 3.87Å; I352-V356 PolarHBondContact O-N 2.85Å; L353-V356 HydrophobicContact CD2-CG2 4.47Å; L353-V356 PolarHBondContact O-N 2.78Å; A354-V356 VanDerWaalsContact C-N 3.31Å; V356-T360 HydrophobicContact CG1-CG2 4.02Å; V356-V362 HydrophobicContact CB-CG2 4.5Å; V356-V362 HydrophobicContact CG1-CG2 4.02Å; V356-V362 HydrophobicContact CG2-CG2 3.8Å; V356-D400 HydrophobicContact CB-CB 4.3Å; V356-D400 HydrophobicContact CG1-CB 3.64Å
357	P	97.7	Very high	96.1	Very high	15 Å²	15	28.5 Å²	28.5	10%	0.097	13%	0.131	C	C	.	.			trans	-73.5	156	-178.3	29.4	-34.9	0	0	0	111.9	F305 L355 W359 T360	F305-P357 HydrophobicContact CD1-CG 4.13Å; L355-P357 WeakPolarHBondContact O-CD 3.49Å; P357-W359 HydrophobicContact CB-CD2 3.71Å; P357-W359 VanDerWaalsContact CB-CE2 3.45Å; P357-W359 HydrophobicContact CB-CE3 3.79Å; P357-W359 HydrophobicContact CB-CH2 3.41Å; P357-W359 VanDerWaalsContact CB-CH2 3.41Å; P357-W359 HydrophobicContact CB-CZ2 3.31Å; P357-W359 HydrophobicContact CB-CZ3 3.65Å; P357-W359 HydrophobicContact CG-CD2 4.04Å; P357-W359 VanDerWaalsContact CG-CE2 3.44Å; P357-W359 HydrophobicContact CG-CH2 4.15Å; P357-W359 HydrophobicContact CG-CZ2 3.52Å; P357-W359 PolarHBondContact O-N 2.71Å; P357-T360 WeakPolarHBondContact CG-OG1 3.34Å; P357-T360 PolarHBondContact O-N 3.02Å
358	P	97.3	Very high	95.6	Very high	22 Å²	22	30.6 Å²	30.6	14%	0.143	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-19.1	-176.1	-28.5	36.2	0	0	0	116.3	R399 V401	P358-R399 WeakPolarHBondContact CA-O 3.42Å; P358-V401 WeakPolarHBondContact O-CG2 3.27Å
359	W	97.7	Very high	95.2	Very high	41 Å²	41	31 Å²	31	16%	0.155	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-5.2	176.6	61.3	83.4	0	0	0	113.4	P357 Y427 F436 R452	P357-W359 HydrophobicContact CB-CD2 3.71Å; P357-W359 VanDerWaalsContact CB-CE2 3.45Å; P357-W359 HydrophobicContact CB-CE3 3.79Å; P357-W359 HydrophobicContact CB-CH2 3.41Å; P357-W359 VanDerWaalsContact CB-CH2 3.41Å; P357-W359 HydrophobicContact CB-CZ2 3.31Å; P357-W359 HydrophobicContact CB-CZ3 3.65Å; P357-W359 HydrophobicContact CG-CD2 4.04Å; P357-W359 VanDerWaalsContact CG-CE2 3.44Å; P357-W359 HydrophobicContact CG-CH2 4.15Å; P357-W359 HydrophobicContact CG-CZ2 3.52Å; P357-W359 PolarHBondContact O-N 2.71Å; W359-Y427 HydrophobicContact CB-CE1 4.04Å; W359-Y427 AromaticContact CD1-CE1 3.82Å; W359-Y427 AromaticContact CD1-CZ 3.58Å; W359-Y427 AromaticContact CD2-CD1 3.93Å; W359-Y427 HydrophobicContact CD2-CD1 3.93Å; W359-Y427 AromaticContact CD2-CE1 3.8Å; W359-Y427 HydrophobicContact CD2-CE1 3.8Å; W359-Y427 HydrophobicContact CE3-CD1 4.22Å; W359-Y427 HydrophobicContact CE3-CE1 4.41Å; W359-Y427 HydrophobicContact CG-CD1 4.24Å; W359-Y427 AromaticContact CG-CE1 3.61Å; W359-Y427 HydrophobicContact CG-CE1 3.61Å; W359-Y427 AromaticContact CG-CZ 3.86Å; W359-Y427 HydrophobicContact CZ2-CG 4.37Å; W359-Y427 AromaticContact NE1-CE2 3.95Å; W359-Y427 AromaticContact NE1-CZ 3.85Å; W359-F436 HydrophobicContact CB-CB 3.98Å; W359-F436 HydrophobicContact CB-CD1 4.14Å; W359-F436 HydrophobicContact CB-CD2 3.65Å; W359-F436 HydrophobicContact CB-CE2 4.12Å; W359-F436 HydrophobicContact CB-CG 3.66Å; W359-R452 PolarHBondContact O-NH1 3.35Å; W359-R452 PolarHBondContact O-NH2 3.04Å
360	T	98.4	Very high	94.9	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.158	C	C	.	.			trans	-104	138.1	-177.4	-64	0	0	0	0	111.3	F305 P312 D313 V356 P357 V401	F305-T360 HydrophobicContact CE1-CG2 4.18Å; P312-T360 PolarHBondContact O-OG1 3.46Å; D313-T360 WeakPolarHBondContact O-CA 3.37Å; V356-T360 HydrophobicContact CG1-CG2 4.02Å; P357-T360 WeakPolarHBondContact CG-OG1 3.34Å; P357-T360 PolarHBondContact O-N 3.02Å; T360-V401 PolarHBondContact O-N 3.2Å
361	R	97.7	Very high	94.5	Very high	21 Å²	21	36 Å²	36	8%	0.079	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	124.4	176.6	-172.4	176.9	-179	111.3	9.8	111.7	D313 G314 L315 Y363 V401 R402 E405 Y478	D313-R361 PolarHBondContact O-N 2.77Å; G314-R361 CarbonylContact C-O 3.58Å; G314-R361 WeakPolarHBondContact CA-O 3.23Å; L315-R361 PolarHBondContact N-O 3.18Å; R361-Y363 HydrophobicContact CB-CE2 4.09Å; R361-Y363 HydrophobicContact CG-CD2 4.39Å; R361-Y363 HydrophobicContact CG-CE2 4.21Å; R361-Y363 WeakPolarHBondContact O-CD2 3.34Å; R361-Y363 PolarHBondContact O-N 2.9Å; R361-V401 HydrophobicContact CB-CB 3.94Å; R361-V401 HydrophobicContact CB-CG1 4.26Å; R361-V401 HydrophobicContact CG-CB 4.28Å; R361-V401 HydrophobicContact CG-CG1 4.33Å; R361-R402 HydrophobicContact CG-CB 4.1Å; R361-E405 IonicContact CZ-OE2 3.61Å; R361-E405 IonicContact NH1-OE2 3.65Å; R361-E405 PolarHBondContact NH1-OE2 3.21Å; R361-E405 IonicContact NH2-OE1 3.82Å; R361-E405 IonicContact NH2-OE2 2.8Å; R361-E405 PolarHBondContact NH2-OE2 2.79Å; R361-Y478 PolarHBondContact NH1-OH 2.75Å
362	V	97.3	Very high	94.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	103.9	170.2	-172.4	0	0	0	0	109.9	L315 L353 V356 V365 R384 D400 R402	L315-V362 WeakPolarHBondContact O-CA 3.28Å; L353-V362 HydrophobicContact CD2-CB 4.39Å; L353-V362 HydrophobicContact CD2-CG1 4.16Å; L353-V362 HydrophobicContact CD2-CG2 3.93Å; V356-V362 HydrophobicContact CB-CG2 4.5Å; V356-V362 HydrophobicContact CG1-CG2 4.02Å; V356-V362 HydrophobicContact CG2-CG2 3.8Å; V362-V365 HydrophobicContact CG1-CG2 3.76Å; V362-R384 PolarHBondContact O-NH1 3.36Å; V362-R384 VanDerWaalsContact O-NH1 3.11Å; V362-D400 VanDerWaalsContact CB-OD2 3.26Å; V362-D400 WeakPolarHBondContact CB-OD2 3.44Å; V362-D400 HydrophobicContact CG2-CB 4.04Å; V362-D400 PolarHBondContact N-OD2 3.05Å; V362-R402 WeakPolarHBondContact O-CD 3.25Å
363	Y	94.1	Very high	94	Very high	37 Å²	37	38 Å²	38	15%	0.145	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	-41.2	-176.5	-74.1	-91.6	0	0	0	112.4	R242 K280 V282 L315 R361	R242-Y363 PolarHBondContact NH1-OH 2.81Å; R242-Y363 VanDerWaalsContact NH1-OH 3.08Å; K280-Y363 VanDerWaalsContact CE-OH 3.22Å; K280-Y363 WeakPolarHBondContact CE-OH 3.34Å; K280-Y363 PolarHBondContact NZ-OH 2.86Å; V282-Y363 HydrophobicContact CG1-CD2 4.05Å; V282-Y363 HydrophobicContact CG1-CE2 4.18Å; V282-Y363 HydrophobicContact CG2-CD2 4.3Å; V282-Y363 HydrophobicContact CG2-CE2 3.59Å; L315-Y363 PolarHBondContact O-N 2.66Å; R361-Y363 HydrophobicContact CB-CE2 4.09Å; R361-Y363 HydrophobicContact CG-CD2 4.39Å; R361-Y363 HydrophobicContact CG-CE2 4.21Å; R361-Y363 WeakPolarHBondContact O-CD2 3.34Å; R361-Y363 PolarHBondContact O-N 2.9Å
364	R	91.9	Very high	93.8	Very high	93 Å²	93	39.2 Å²	39.2	35%	0.351	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	146.7	-177.5	-71.9	-170.4	175.4	-161.6	-16.1	111.1	L317 Y318 D368	L317-R364 PolarHBondContact N-O 2.75Å; Y318-R364 HydrophobicContact CE1-CB 4Å; R364-D368 IonicContact CZ-OD2 3.73Å; R364-D368 VanDerWaalsContact NH1-CG 3.33Å; R364-D368 IonicContact NH1-OD1 2.77Å; R364-D368 IonicContact NH1-OD2 3.57Å; R364-D368 PolarHBondContact NH1-OD2 3.27Å; R364-D368 IonicContact NH2-OD2 2.76Å; R364-D368 PolarHBondContact NH2-OD2 3.09Å
365	V	92.8	Very high	93.7	Very high	9 Å²	9	39.9 Å²	39.9	6%	0.055	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	100.2	170.5	178.1	0	0	0	0	103.6	L317 V349 L353 V362 L383 R384	L317-V365 HydrophobicContact CD2-CG1 4.48Å; L317-V365 WeakPolarHBondContact O-CA 3.46Å; V349-V365 HydrophobicContact CG1-CG1 3.62Å; L353-V365 HydrophobicContact CD2-CG2 4.37Å; V362-V365 HydrophobicContact CG1-CG2 3.76Å; V365-L383 HydrophobicContact CG1-CB 4.43Å; V365-L383 HydrophobicContact CG1-CD2 4.09Å; V365-L383 HydrophobicContact CG1-CG 4.05Å; V365-R384 HydrophobicContact CB-CB 4.09Å; V365-R384 HydrophobicContact CB-CG 4.5Å; V365-R384 HydrophobicContact CG1-CB 4.48Å; V365-R384 HydrophobicContact CG2-CB 4.45Å; V365-R384 HydrophobicContact CG2-CG 4.32Å
366	Q	91.3	Very high	93.6	Very high	36 Å²	36	38.2 Å²	38.2	17%	0.168	20%	0.203	C	C	.	.	S	Bend	trans	91.5	153.9	-166.7	97.3	-154.5	13.2	0	0	116.6	L317 Y318 G381 L383	L317-Q366 PolarHBondContact O-N 2.85Å; Y318-Q366 WeakPolarHBondContact CE1-O 3.11Å; Q366-G381 PolarHBondContact NE2-O 3.5Å; Q366-L383 HydrophobicContact CB-CD2 4.41Å; Q366-L383 VanDerWaalsContact OE1-N 3.12Å
367	R	88.2	Confident	93.3	Very high	46 Å²	46	38.5 Å²	38.5	17%	0.174	21%	0.207	C	C	.	.			trans	-87.4	157.3	174.4	-69.9	-174.7	160.4	-170.8	-4.5	111.7	Y318 I369	Y318-R367 HydrophobicContact CD1-CB 4.31Å; Y318-R367 HydrophobicContact CD1-CG 3.33Å; Y318-R367 HydrophobicContact CD2-CG 3.94Å; Y318-R367 HydrophobicContact CE1-CB 4.4Å; Y318-R367 HydrophobicContact CE1-CG 3.59Å; Y318-R367 HydrophobicContact CE2-CG 4.15Å; Y318-R367 HydrophobicContact CG-CG 3.5Å; Y318-R367 VanDerWaalsContact CG-CG 3.5Å; R367-I369 HydrophobicContact CB-CD1 4.33Å; R367-I369 HydrophobicContact CB-CG1 4.01Å; R367-I369 PolarHBondContact O-N 3.31Å
368	D	85.7	Confident	93	Very high	78 Å²	78	38.4 Å²	38.4	42%	0.417	21%	0.206	S	C	.	.			trans	-80.6	43.9	175.6	-75.5	-25.6	0	0	0	112.1	E131 R364	E131-D368 WeakPolarHBondContact CG-O 3.48Å; R364-D368 IonicContact CZ-OD2 3.73Å; R364-D368 VanDerWaalsContact NH1-CG 3.33Å; R364-D368 IonicContact NH1-OD1 2.77Å; R364-D368 IonicContact NH1-OD2 3.57Å; R364-D368 PolarHBondContact NH1-OD2 3.27Å; R364-D368 IonicContact NH2-OD2 2.76Å; R364-D368 PolarHBondContact NH2-OD2 3.09Å
369	I	89.8	Confident	92.4	Very high	14 Å²	14	43.2 Å²	43.2	7%	0.072	23%	0.227	C	C	.	.			trans	-88.8	130.7	178.8	-61.8	-175.1	0	0	0	109.1	T128 L321 I323 R367 M371 V374	T128-I369 HydrophobicContact CG2-CG2 4.41Å; L321-I369 HydrophobicContact CD1-CB 4.31Å; L321-I369 HydrophobicContact CD1-CD1 4.15Å; I323-I369 HydrophobicContact CD1-CD1 3.54Å; I323-I369 HydrophobicContact CD1-CG2 4.29Å; R367-I369 HydrophobicContact CB-CD1 4.33Å; R367-I369 HydrophobicContact CB-CG1 4.01Å; R367-I369 PolarHBondContact O-N 3.31Å; I369-M371 WeakPolarHBondContact O-CE 3.19Å; I369-M371 PolarHBondContact O-N 2.94Å; I369-V374 HydrophobicContact CG2-CG2 4.04Å
370	P	90.3	Very high	91.7	Very high	41 Å²	41	46.1 Å²	46.1	27%	0.266	24%	0.242	S	C	.	.			trans	-58.7	126.5	174.4	-24.6	33.9	0	0	0	111.9	P372 L373	P370-P372 VanDerWaalsContact C-N 3.31Å; P370-L373 HydrophobicContact CB-CD1 4.28Å; P370-L373 HydrophobicContact CB-CG 4.38Å; P370-L373 HydrophobicContact CG-CD1 4.2Å; P370-L373 WeakPolarHBondContact O-CB 3.35Å; P370-L373 PolarHBondContact O-N 3.46Å
371	M	89.8	Confident	91.1	Very high	64 Å²	64	48.7 Å²	48.7	32%	0.315	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-54.4	-34.9	-179.5	-60.7	-64.8	91.4	0	0	114.7	I369 L373 V374	I369-M371 WeakPolarHBondContact O-CE 3.19Å; I369-M371 PolarHBondContact O-N 2.94Å; M371-L373 PolarHBondContact O-N 3.32Å; M371-V374 HydrophobicContact CE-CG2 4.04Å; M371-V374 PolarHBondContact O-N 2.93Å
372	P	91.4	Very high	90.8	Very high	127 Å²	127	50.5 Å²	50.5	83%	0.825	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-60.1	-16	175.4	-26.6	36.5	0	0	0	115.3	P370	P370-P372 VanDerWaalsContact C-N 3.31Å
373	L	92	Very high	90.6	Very high	45 Å²	45	50.8 Å²	50.8	24%	0.236	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-92.6	-10.6	177.2	-58.4	178.2	0	0	0	113	F120 T128 Y130 P370 M371	F120-L373 HydrophobicContact CE1-CD1 4.37Å; F120-L373 HydrophobicContact CE1-CD2 4.46Å; T128-L373 HydrophobicContact CG2-CD1 3.98Å; T128-L373 WeakPolarHBondContact OG1-CD1 3.24Å; Y130-L373 HydrophobicContact CD2-CD1 3.65Å; Y130-L373 HydrophobicContact CD2-CD2 4.48Å; Y130-L373 HydrophobicContact CG-CD1 4.13Å; P370-L373 HydrophobicContact CB-CD1 4.28Å; P370-L373 HydrophobicContact CB-CG 4.38Å; P370-L373 HydrophobicContact CG-CD1 4.2Å; P370-L373 WeakPolarHBondContact O-CB 3.35Å; P370-L373 PolarHBondContact O-N 3.46Å; M371-L373 PolarHBondContact O-N 3.32Å
374	V	94.2	Very high	90.6	Very high	25 Å²	25	51.4 Å²	51.4	15%	0.152	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	122.5	-176.8	-179.9	0	0	0	0	108.8	L321 I369 M371 S376	L321-V374 HydrophobicContact CB-CG1 4.36Å; L321-V374 HydrophobicContact CD1-CG2 4.13Å; L321-V374 HydrophobicContact CD2-CG1 4.02Å; I369-V374 HydrophobicContact CG2-CG2 4.04Å; M371-V374 HydrophobicContact CE-CG2 4.04Å; M371-V374 PolarHBondContact O-N 2.93Å; V374-S376 WeakPolarHBondContact CG1-O 3Å
375	S	95.1	Very high	90.7	Very high	52 Å²	52	53.1 Å²	53.1	36%	0.364	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	-32.5	178.2	-53.5	0	0	0	0	112.6	V322	V322-S375 PolarHBondContact O-N 3.08Å
376	S	95.1	Very high	90.8	Very high	31 Å²	31	55.5 Å²	55.5	22%	0.217	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	154.4	176.9	-175.2	0	0	0	0	110.4	V322 S339 V374	V322-S376 PolarHBondContact N-O 3.1Å; S339-S376 WeakPolarHBondContact CB-OG 3.18Å; S339-S376 PolarHBondContact OG-OG 3.41Å; V374-S376 WeakPolarHBondContact CG1-O 3Å
377	G	92.6	Very high	91	Very high	11 Å²	11	53.8 Å²	53.8	11%	0.113	30%	0.299	C	S	.	.	S	Bend	trans	122.9	-131	-177.2	0	0	0	0	0	110.9	E379	G377-E379 PolarHBondContact O-N 2.72Å
378	V	90.3	Very high	91.3	Very high	14 Å²	14	54.5 Å²	54.5	9%	0.085	31%	0.306	C	S	.	.			trans	-65.7	126.6	179.1	-178.5	0	0	0	0	111.3	P319 L321 L345 H380 L383	P319-V378 HydrophobicContact CB-CG2 3.89Å; P319-V378 HydrophobicContact CG-CG2 4.3Å; L321-V378 HydrophobicContact CD2-CB 3.79Å; L321-V378 HydrophobicContact CD2-CG2 3.8Å; L345-V378 HydrophobicContact CD2-CG2 3.63Å; V378-H380 WeakPolarHBondContact CG1-O 3.37Å; V378-L383 HydrophobicContact CG2-CD2 4.16Å
379	E	84.2	Confident	91.7	Very high	123 Å²	123	53.2 Å²	53.2	58%	0.575	31%	0.306	S	S	*	.			trans	-90.3	-24.9	179.5	-66	-174.6	172.3	0	0	114.2	P342 G377	P342-E379 HydrophobicContact CG-CG 3.89Å; P342-E379 WeakPolarHBondContact CG-OE1 3.22Å; P342-E379 WeakPolarHBondContact CG-OE2 3.44Å; G377-E379 PolarHBondContact O-N 2.72Å
380	H	84.5	Confident	92.1	Very high	102 Å²	102	56.5 Å²	56.5	47%	0.472	32%	0.318	S	S	.	.			trans	-128	141.9	-171.9	-57.2	-34.4	0	0	0	112.8	V378 N382	V378-H380 WeakPolarHBondContact CG1-O 3.37Å; H380-N382 VanDerWaalsContact CB-OD1 3.3Å; H380-N382 WeakPolarHBondContact CB-OD1 3.34Å; H380-N382 PolarHBondContact O-N 3.12Å; H380-N382 VanDerWaalsContact O-N 3.15Å
381	G	85.3	Confident	92.3	Very high	53 Å²	53	54.8 Å²	54.8	55%	0.546	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	12.3	179.2	0	0	0	0	0	115.4	Q366	Q366-G381 PolarHBondContact NE2-O 3.5Å
382	N	90.6	Very high	92.6	Very high	60 Å²	60	59.9 Å²	59.9	32%	0.321	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.3	32.6	-177.4	69.3	-29.9	0	0	0	113.4	H380 R384 E385 L386	H380-N382 VanDerWaalsContact CB-OD1 3.3Å; H380-N382 WeakPolarHBondContact CB-OD1 3.34Å; H380-N382 PolarHBondContact O-N 3.12Å; H380-N382 VanDerWaalsContact O-N 3.15Å; N382-R384 PolarHBondContact O-N 3.15Å; N382-R384 VanDerWaalsContact O-N 3.11Å; N382-E385 HydrophobicContact CB-CB 4.37Å; N382-E385 PolarHBondContact ND2-OE2 2.98Å; N382-E385 WeakPolarHBondContact O-CB 3.36Å; N382-E385 PolarHBondContact O-N 2.92Å; N382-L386 PolarHBondContact O-N 3Å
383	L	93.8	Very high	92.7	Very high	6 Å²	6	59.6 Å²	59.6	3%	0.031	32%	0.318	C	S	.	.	H	α-helix	trans	-53.6	-36.6	-175.9	-175	60.2	0	0	0	114.1	P319 L345 V346 V349 V365 Q366 V378 E385 L386 A387	P319-L383 HydrophobicContact CG-CD2 3.76Å; L345-L383 HydrophobicContact CD2-CD2 4.45Å; V346-L383 HydrophobicContact CG2-CD1 3.78Å; V349-L383 HydrophobicContact CG2-CD2 4.24Å; V365-L383 HydrophobicContact CG1-CB 4.43Å; V365-L383 HydrophobicContact CG1-CD2 4.09Å; V365-L383 HydrophobicContact CG1-CG 4.05Å; Q366-L383 HydrophobicContact CB-CD2 4.41Å; Q366-L383 VanDerWaalsContact OE1-N 3.12Å; V378-L383 HydrophobicContact CG2-CD2 4.16Å; L383-E385 VanDerWaalsContact C-N 3.32Å; L383-E385 PolarHBondContact O-N 2.67Å; L383-L386 PolarHBondContact O-N 3.11Å; L383-A387 WeakPolarHBondContact O-CB 3.36Å; L383-A387 PolarHBondContact O-N 3.28Å
384	R	93.8	Very high	92.8	Very high	49 Å²	49	60.4 Å²	60.4	19%	0.185	32%	0.322	C	S	.	.	H	α-helix	trans	-60.2	-41.6	176	-171.2	175.3	-176.1	128	4.5	112.4	V362 V365 N382 L388 D400 R402 T403	V362-R384 PolarHBondContact O-NH1 3.36Å; V362-R384 VanDerWaalsContact O-NH1 3.11Å; V365-R384 HydrophobicContact CB-CB 4.09Å; V365-R384 HydrophobicContact CB-CG 4.5Å; V365-R384 HydrophobicContact CG1-CB 4.48Å; V365-R384 HydrophobicContact CG2-CB 4.45Å; V365-R384 HydrophobicContact CG2-CG 4.32Å; N382-R384 PolarHBondContact O-N 3.15Å; N382-R384 VanDerWaalsContact O-N 3.11Å; R384-L388 HydrophobicContact CG-CD1 4.2Å; R384-L388 VanDerWaalsContact O-CG 3.27Å; R384-L388 WeakPolarHBondContact O-CG 3.34Å; R384-L388 PolarHBondContact O-N 2.82Å; R384-D400 IonicContact NH2-OD1 2.83Å; R384-D400 IonicContact NH2-OD2 3.05Å; R384-R402 VanDerWaalsContact NH1-CD 3.32Å; R384-T403 PolarHBondContact NH2-OG1 3.38Å
385	E	93.3	Very high	92.8	Very high	129 Å²	129	62.5 Å²	62.5	60%	0.603	35%	0.349	S	S	*	.	H	α-helix	trans	-68.4	-44.7	-179	-176.7	179.2	-163.6	0	0	110.5	N382 L383 A387 L388 A389	N382-E385 HydrophobicContact CB-CB 4.37Å; N382-E385 PolarHBondContact ND2-OE2 2.98Å; N382-E385 WeakPolarHBondContact O-CB 3.36Å; N382-E385 PolarHBondContact O-N 2.92Å; L383-E385 VanDerWaalsContact C-N 3.32Å; L383-E385 PolarHBondContact O-N 2.67Å; E385-A387 PolarHBondContact O-N 3.13Å; E385-L388 PolarHBondContact O-N 3.3Å; E385-A389 WeakPolarHBondContact O-CB 3.39Å; E385-A389 PolarHBondContact O-N 3.28Å
386	L	95.3	Very high	92.7	Very high	59 Å²	59	63.4 Å²	63.4	31%	0.309	35%	0.349	S	S	.	.	H	α-helix	trans	-59.9	-44.4	175.6	-63	174.9	0	0	0	111.7	V346 N382 L383 A389 R390	V346-L386 HydrophobicContact CG1-CB 4.15Å; V346-L386 HydrophobicContact CG2-CB 3.95Å; V346-L386 HydrophobicContact CG2-CD1 4.26Å; N382-L386 PolarHBondContact O-N 3Å; L383-L386 PolarHBondContact O-N 3.11Å; L386-A389 PolarHBondContact O-N 2.9Å; L386-R390 WeakPolarHBondContact O-CB 3.25Å; L386-R390 PolarHBondContact O-N 3.21Å
387	A	95.9	Very high	92.5	Very high	0 Å²	0	68.7 Å²	68.7	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-63.3	-43.6	176.8	0	0	0	0	0	112.2	V349 L353 L383 E385 R390 M391	V349-A387 HydrophobicContact CB-CB 4.19Å; V349-A387 HydrophobicContact CG1-CB 3.61Å; L353-A387 HydrophobicContact CD1-CB 4.1Å; L383-A387 WeakPolarHBondContact O-CB 3.36Å; L383-A387 PolarHBondContact O-N 3.28Å; E385-A387 PolarHBondContact O-N 3.13Å; A387-R390 PolarHBondContact O-N 3.09Å; A387-M391 VanDerWaalsContact O-CG 3.27Å; A387-M391 WeakPolarHBondContact O-CG 3.44Å; A387-M391 PolarHBondContact O-N 2.9Å
388	L	94.7	Very high	92.5	Very high	62 Å²	62	68.8 Å²	68.8	33%	0.325	37%	0.369	S	S	.	.	H	α-helix	trans	-66	-38.6	177.6	-71.3	173.8	0	0	0	112.5	R384 E385 R390 M391 K392 C398	R384-L388 HydrophobicContact CG-CD1 4.2Å; R384-L388 VanDerWaalsContact O-CG 3.27Å; R384-L388 WeakPolarHBondContact O-CG 3.34Å; R384-L388 PolarHBondContact O-N 2.82Å; E385-L388 PolarHBondContact O-N 3.3Å; L388-R390 VanDerWaalsContact C-N 3.34Å; L388-M391 HydrophobicContact CD2-SD 4.19Å; L388-M391 PolarHBondContact O-N 3.5Å; L388-K392 PolarHBondContact O-N 3.35Å; L388-K392 VanDerWaalsContact O-N 3.12Å; L388-C398 HydrophobicContact CD2-CB 4.05Å
389	A	95.1	Very high	92.7	Very high	51 Å²	51	73 Å²	73	42%	0.421	38%	0.384	S	S	.	.	H	α-helix	trans	-61.5	-45.3	172.6	0	0	0	0	0	110.7	E385 L386 M391 K392 D393	E385-A389 WeakPolarHBondContact O-CB 3.39Å; E385-A389 PolarHBondContact O-N 3.28Å; L386-A389 PolarHBondContact O-N 2.9Å; A389-M391 PolarHBondContact O-N 2.86Å; A389-K392 VanDerWaalsContact O-CB 3.3Å; A389-K392 WeakPolarHBondContact O-CB 3.24Å; A389-K392 PolarHBondContact O-N 3.25Å; A389-K392 VanDerWaalsContact O-N 3.11Å; A389-D393 PolarHBondContact O-N 3.46Å; A389-D393 VanDerWaalsContact O-N 3.1Å
390	R	96.3	Very high	93.2	Very high	83 Å²	83	67.2 Å²	67.2	31%	0.313	36%	0.356	S	S	.	.	H	α-helix	trans	-62.8	-40.4	177.3	-177.3	56.7	-179.1	139.8	4.7	113	V346 E347 A350 L386 A387 L388 K392 D393 L394	V346-R390 HydrophobicContact CG1-CB 3.86Å; V346-R390 HydrophobicContact CG1-CG 4.26Å; E347-R390 IonicContact OE1-NH2 3.16Å; E347-R390 IonicContact OE2-CZ 3.78Å; E347-R390 IonicContact OE2-NE 2.78Å; E347-R390 PolarHBondContact OE2-NE 3.14Å; E347-R390 IonicContact OE2-NH2 3.89Å; E347-R390 PolarHBondContact OE2-NH2 2.98Å; A350-R390 HydrophobicContact CB-CB 4.18Å; A350-R390 HydrophobicContact CB-CG 4.04Å; L386-R390 WeakPolarHBondContact O-CB 3.25Å; L386-R390 PolarHBondContact O-N 3.21Å; A387-R390 PolarHBondContact O-N 3.09Å; L388-R390 VanDerWaalsContact C-N 3.34Å; R390-K392 VanDerWaalsContact C-N 3.27Å; R390-K392 PolarHBondContact O-N 2.83Å; R390-D393 PolarHBondContact O-N 3.45Å; R390-L394 HydrophobicContact CG-CD1 4.35Å; R390-L394 WeakPolarHBondContact O-CG 3.3Å; R390-L394 PolarHBondContact O-N 2.9Å; R390-L394 VanDerWaalsContact O-N 3.08Å
391	M	96.1	Very high	93.8	Very high	4 Å²	4	62.4 Å²	62.4	2%	0.02	33%	0.334	C	S	.	.	H	α-helix	trans	-59.2	-39.8	173.8	-71	179.7	79.9	0	0	111.7	A350 L353 A354 A387 L388 A389 L394 G395 I396 C398	A350-M391 HydrophobicContact CB-CG 3.62Å; L353-M391 HydrophobicContact CB-CE 4.14Å; L353-M391 HydrophobicContact CB-SD 3.67Å; L353-M391 HydrophobicContact CD1-SD 4.18Å; A354-M391 HydrophobicContact CB-CE 4.08Å; A387-M391 VanDerWaalsContact O-CG 3.27Å; A387-M391 WeakPolarHBondContact O-CG 3.44Å; A387-M391 PolarHBondContact O-N 2.9Å; L388-M391 HydrophobicContact CD2-SD 4.19Å; L388-M391 PolarHBondContact O-N 3.5Å; A389-M391 PolarHBondContact O-N 2.86Å; M391-L394 CarbonylContact O-C 3.55Å; M391-L394 PolarHBondContact O-N 3.46Å; M391-G395 PolarHBondContact O-N 3.28Å; M391-G395 VanDerWaalsContact O-N 3.09Å; M391-I396 CarbonylContact C-O 3.55Å; M391-I396 HydrophobicContact CE-CG2 4.05Å; M391-I396 PolarHBondContact O-N 2.89Å; M391-C398 HydrophobicContact CE-CB 3.7Å; M391-C398 HydrophobicContact SD-CB 3.94Å
392	K	94.6	Very high	94.1	Very high	172 Å²	172	62.6 Å²	62.6	75%	0.748	32%	0.319	S	S	*	.	H	α-helix	trans	-62.3	-42.9	175.7	-173.5	-175.8	176.8	-174.6	0	111.7	L388 A389 R390 L394 G395	L388-K392 PolarHBondContact O-N 3.35Å; L388-K392 VanDerWaalsContact O-N 3.12Å; A389-K392 VanDerWaalsContact O-CB 3.3Å; A389-K392 WeakPolarHBondContact O-CB 3.24Å; A389-K392 PolarHBondContact O-N 3.25Å; A389-K392 VanDerWaalsContact O-N 3.11Å; R390-K392 VanDerWaalsContact C-N 3.27Å; R390-K392 PolarHBondContact O-N 2.83Å; K392-L394 PolarHBondContact O-N 2.93Å; K392-G395 PolarHBondContact O-N 3.41Å; K392-G395 VanDerWaalsContact O-N 3.08Å
393	D	94.9	Very high	94.1	Very high	121 Å²	121	61.1 Å²	61.1	65%	0.647	31%	0.312	S	S	*	.	H	α-helix	trans	-63.8	-29.9	176.6	-59.2	-25.3	0	0	0	112.3	A389 R390 G395	A389-D393 PolarHBondContact O-N 3.46Å; A389-D393 VanDerWaalsContact O-N 3.1Å; R390-D393 PolarHBondContact O-N 3.45Å; D393-G395 VanDerWaalsContact C-N 3.35Å
394	L	92.9	Very high	94.1	Very high	61 Å²	61	61 Å²	61	32%	0.319	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-7.1	175.8	-68.4	173.8	0	0	0	113.7	R390 M391 K392 I396	R390-L394 HydrophobicContact CG-CD1 4.35Å; R390-L394 WeakPolarHBondContact O-CG 3.3Å; R390-L394 PolarHBondContact O-N 2.9Å; R390-L394 VanDerWaalsContact O-N 3.08Å; M391-L394 CarbonylContact O-C 3.55Å; M391-L394 PolarHBondContact O-N 3.46Å; K392-L394 PolarHBondContact O-N 2.93Å; L394-I396 VanDerWaalsContact C-N 3.27Å; L394-I396 HydrophobicContact CB-CD1 3.82Å; L394-I396 HydrophobicContact CB-CG1 3.96Å; L394-I396 HydrophobicContact CD1-CD1 4.22Å; L394-I396 PolarHBondContact O-N 3.43Å
395	G	93.9	Very high	93.9	Very high	70 Å²	70	58.9 Å²	58.9	72%	0.722	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.7	21.9	-174.4	0	0	0	0	0	114.1	M391 K392 D393	M391-G395 PolarHBondContact O-N 3.28Å; M391-G395 VanDerWaalsContact O-N 3.09Å; K392-G395 PolarHBondContact O-N 3.41Å; K392-G395 VanDerWaalsContact O-N 3.08Å; D393-G395 VanDerWaalsContact C-N 3.35Å
396	I	93.6	Very high	93.5	Very high	70 Å²	70	52.9 Å²	52.9	36%	0.359	28%	0.275	S	S	.	.			trans	-106.7	144.1	-177.6	-53.7	169.3	0	0	0	109.6	A354 M391 L394	A354-I396 HydrophobicContact CB-CG2 3.48Å; A354-I396 VanDerWaalsContact CB-CG2 3.48Å; M391-I396 CarbonylContact C-O 3.55Å; M391-I396 HydrophobicContact CE-CG2 4.05Å; M391-I396 PolarHBondContact O-N 2.89Å; L394-I396 VanDerWaalsContact C-N 3.27Å; L394-I396 HydrophobicContact CB-CD1 3.82Å; L394-I396 HydrophobicContact CB-CG1 3.96Å; L394-I396 HydrophobicContact CD1-CD1 4.22Å; L394-I396 PolarHBondContact O-N 3.43Å
397	Q	90.9	Very high	92.7	Very high	143 Å²	143	50.7 Å²	50.7	67%	0.668	27%	0.267	S	S	*	.			trans	-110.6	141.8	179.1	-65.7	-175.1	-15.1	0	0	111.9
398	C	93.1	Very high	92.1	Very high	13 Å²	13	51.4 Å²	51.4	9%	0.088	27%	0.271	C	S	.	.			trans	-87.2	115.6	172.7	-179.3	0	0	0	0	109.4	L388 M391	L388-C398 HydrophobicContact CD2-CB 4.05Å; M391-C398 HydrophobicContact CE-CB 3.7Å; M391-C398 HydrophobicContact SD-CB 3.94Å
399	R	94.3	Very high	91.5	Very high	103 Å²	103	49.9 Å²	49.9	39%	0.389	26%	0.262	S	S	.	.			trans	-101.1	21.8	-178.1	-57.7	-164.1	74.6	-175.7	2	113.7	P358 R404 D445	P358-R399 WeakPolarHBondContact CA-O 3.42Å; R399-R404 WeakPolarHBondContact O-CD 3.38Å; R399-D445 IonicContact CZ-OD1 2.82Å; R399-D445 IonicContact CZ-OD2 2.86Å; R399-D445 IonicContact NE-OD1 2.83Å; R399-D445 IonicContact NE-OD2 3.62Å; R399-D445 PolarHBondContact NE-OD2 2.83Å; R399-D445 IonicContact NH2-OD1 3.68Å; R399-D445 PolarHBondContact NH2-OD1 3.46Å; R399-D445 IonicContact NH2-OD2 3.75Å
400	D	95.5	Very high	90.7	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.256	C	S	.	.			trans	-66.8	153.5	177.6	92.6	-38.6	0	0	0	112.2	V356 V362 R384 R402 T403 R404	V356-D400 HydrophobicContact CB-CB 4.3Å; V356-D400 HydrophobicContact CG1-CB 3.64Å; V362-D400 VanDerWaalsContact CB-OD2 3.26Å; V362-D400 WeakPolarHBondContact CB-OD2 3.44Å; V362-D400 HydrophobicContact CG2-CB 4.04Å; V362-D400 PolarHBondContact N-OD2 3.05Å; R384-D400 IonicContact NH2-OD1 2.83Å; R384-D400 IonicContact NH2-OD2 3.05Å; D400-R402 PolarHBondContact O-N 2.94Å; D400-R402 VanDerWaalsContact O-N 3.07Å; D400-R402 WeakPolarHBondContact OD2-CB 3.33Å; D400-T403 PolarHBondContact O-N 2.74Å; D400-T403 WeakPolarHBondContact OD1-CB 3.32Å; D400-T403 PolarHBondContact OD1-N 3.48Å; D400-T403 PolarHBondContact OD1-OG1 3.3Å; D400-R404 WeakPolarHBondContact O-CG 3.45Å; D400-R404 PolarHBondContact O-N 3.33Å
401	V	95.8	Very high	89.7	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.006	26%	0.258	C	S	.	.	H	α-helix	trans	-53.7	-33.6	-179.7	166.8	0	0	0	0	112.5	P358 T360 R361 E405 F436 L447 L450 Y478	P358-V401 WeakPolarHBondContact O-CG2 3.27Å; T360-V401 PolarHBondContact O-N 3.2Å; R361-V401 HydrophobicContact CB-CB 3.94Å; R361-V401 HydrophobicContact CB-CG1 4.26Å; R361-V401 HydrophobicContact CG-CB 4.28Å; R361-V401 HydrophobicContact CG-CG1 4.33Å; V401-E405 PolarHBondContact O-N 3.11Å; V401-F436 HydrophobicContact CG2-CZ 4.29Å; V401-L447 HydrophobicContact CB-CD2 4.3Å; V401-L447 HydrophobicContact CG1-CD2 3.76Å; V401-L447 HydrophobicContact CG2-CD2 4.38Å; V401-L450 HydrophobicContact CG1-CD2 3.7Å; V401-Y478 WeakPolarHBondContact CG1-OH 3.41Å
402	R	92.6	Very high	88.9	Confident	58 Å²	58	55 Å²	55	22%	0.219	28%	0.282	C	S	.	.	H	α-helix	trans	-75	-42.5	-176.4	-178.4	176.7	169.4	90.9	3.1	111.9	R361 V362 R384 D400 R404 E405 I408	R361-R402 HydrophobicContact CG-CB 4.1Å; V362-R402 WeakPolarHBondContact O-CD 3.25Å; R384-R402 VanDerWaalsContact NH1-CD 3.32Å; D400-R402 PolarHBondContact O-N 2.94Å; D400-R402 VanDerWaalsContact O-N 3.07Å; D400-R402 WeakPolarHBondContact OD2-CB 3.33Å; R402-R404 VanDerWaalsContact C-N 3.25Å; R402-R404 PolarHBondContact O-N 2.84Å; R402-E405 WeakPolarHBondContact O-CG 3.41Å; R402-E405 PolarHBondContact O-N 3Å; R402-I408 HydrophobicContact CG-CD1 3.59Å; R402-I408 WeakPolarHBondContact O-CD1 3.43Å
403	T	90.8	Very high	88.1	Confident	29 Å²	29	52.4 Å²	52.4	18%	0.178	27%	0.272	C	S	.	.	H	α-helix	trans	-70.2	-30.5	-177.3	-54.5	0	0	0	0	110.6	R384 D400 Q409	R384-T403 PolarHBondContact NH2-OG1 3.38Å; D400-T403 PolarHBondContact O-N 2.74Å; D400-T403 WeakPolarHBondContact OD1-CB 3.32Å; D400-T403 PolarHBondContact OD1-N 3.48Å; D400-T403 PolarHBondContact OD1-OG1 3.3Å; T403-Q409 PolarHBondContact O-NE2 3.4Å
404	R	92.9	Very high	87.3	Confident	3 Å²	3	55.4 Å²	55.4	1%	0.011	28%	0.28	C	S	.	.	H	α-helix	trans	-82.9	-14.5	-179.4	-61	168	71	-138.8	1.7	114	R399 D400 R402 V406 E440 D445 I446 L447	R399-R404 WeakPolarHBondContact O-CD 3.38Å; D400-R404 WeakPolarHBondContact O-CG 3.45Å; D400-R404 PolarHBondContact O-N 3.33Å; R402-R404 VanDerWaalsContact C-N 3.25Å; R402-R404 PolarHBondContact O-N 2.84Å; R404-V406 PolarHBondContact O-N 2.97Å; R404-E440 IonicContact CZ-OE1 3.44Å; R404-E440 IonicContact CZ-OE2 2.74Å; R404-E440 IonicContact NH1-OE1 2.83Å; R404-E440 PolarHBondContact NH1-OE1 3.29Å; R404-E440 IonicContact NH1-OE2 3.81Å; R404-E440 IonicContact NH2-OE1 3.9Å; R404-E440 PolarHBondContact NH2-OE1 3.28Å; R404-E440 VanDerWaalsContact NH2-OE1 3.09Å; R404-E440 IonicContact NH2-OE2 3.56Å; R404-E440 PolarHBondContact NH2-OE2 3.02Å; R404-D445 WeakPolarHBondContact CB-O 3.23Å; R404-D445 WeakPolarHBondContact CG-O 3.4Å; R404-D445 IonicContact CZ-OD1 3.54Å; R404-D445 IonicContact NE-OD1 3.74Å; R404-D445 PolarHBondContact NE-OD1 3.29Å; R404-D445 IonicContact NE-OD2 3.65Å; R404-D445 PolarHBondContact NE-OD2 3.07Å; R404-D445 IonicContact NH2-OD1 3.08Å; R404-D445 PolarHBondContact NH2-OD1 2.95Å; R404-I446 CarbonylContact O-C 3.41Å; R404-I446 WeakPolarHBondContact O-CA 3.36Å; R404-L447 HydrophobicContact CB-CB 3.97Å; R404-L447 PolarHBondContact O-N 3.19Å
405	E	90.3	Very high	86.5	Confident	4 Å²	4	54.7 Å²	54.7	2%	0.019	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-62.4	132.6	-173.8	78.3	-169.6	-150.9	0	0	112.2	R361 V401 R402 G407 I408 Q409 Y478	R361-E405 IonicContact CZ-OE2 3.61Å; R361-E405 IonicContact NH1-OE2 3.65Å; R361-E405 PolarHBondContact NH1-OE2 3.21Å; R361-E405 IonicContact NH2-OE1 3.82Å; R361-E405 IonicContact NH2-OE2 2.8Å; R361-E405 PolarHBondContact NH2-OE2 2.79Å; V401-E405 PolarHBondContact O-N 3.11Å; R402-E405 WeakPolarHBondContact O-CG 3.41Å; R402-E405 PolarHBondContact O-N 3Å; E405-G407 PolarHBondContact O-N 2.97Å; E405-I408 VanDerWaalsContact CD-CD1 3.46Å; E405-I408 HydrophobicContact CG-CB 3.72Å; E405-I408 HydrophobicContact CG-CD1 3.75Å; E405-I408 HydrophobicContact CG-CG1 3.65Å; E405-I408 PolarHBondContact O-N 3.22Å; E405-I408 WeakPolarHBondContact OE1-CD1 3.41Å; E405-I408 VanDerWaalsContact OE1-CG1 3.27Å; E405-I408 WeakPolarHBondContact OE1-CG1 3.29Å; E405-Q409 PolarHBondContact O-N 2.89Å; E405-Y478 HydrophobicContact CB-CD1 4.06Å; E405-Y478 HydrophobicContact CB-CD2 4.09Å; E405-Y478 HydrophobicContact CB-CE1 3.98Å; E405-Y478 HydrophobicContact CB-CE2 4.03Å; E405-Y478 HydrophobicContact CB-CG 4.12Å
406	V	84.9	Confident	85.7	Confident	4 Å²	4	59.2 Å²	59.2	2%	0.024	27%	0.273	C	S	.	.	H	α-helix	trans	-52.1	-34.9	-176.5	65.6	0	0	0	0	113.3	R404 I408 Q409 E410 P417 I446 L447 F492	R404-V406 PolarHBondContact O-N 2.97Å; V406-I408 PolarHBondContact O-N 2.82Å; V406-Q409 PolarHBondContact O-N 2.7Å; V406-E410 WeakPolarHBondContact O-CB 3.14Å; V406-E410 PolarHBondContact O-N 3.33Å; V406-P417 HydrophobicContact CG2-CG 4.36Å; V406-I446 HydrophobicContact CB-CG2 3.86Å; V406-I446 HydrophobicContact CG2-CG2 4.17Å; V406-L447 PolarHBondContact N-O 3.1Å; V406-F492 HydrophobicContact CG2-CD2 4.39Å; V406-F492 HydrophobicContact CG2-CE2 4.21Å
407	G	78.7	Confident	85.1	Confident	13 Å²	13	56.6 Å²	56.6	13%	0.134	26%	0.261	C	S	.	.	H	α-helix	trans	-67.4	-33.2	178.1	0	0	0	0	0	113.9	E405 I411	E405-G407 PolarHBondContact O-N 2.97Å; G407-I411 VanDerWaalsContact O-CD1 3.26Å; G407-I411 WeakPolarHBondContact O-CD1 3.26Å; G407-I411 WeakPolarHBondContact O-CG1 2.96Å; G407-I411 PolarHBondContact O-N 2.83Å
408	I	81.6	Confident	84.6	Confident	15 Å²	15	56.5 Å²	56.5	8%	0.077	26%	0.255	C	S	.	.	H	α-helix	trans	-78.4	-41.7	175.6	-77.5	177.8	0	0	0	109.8	R402 E405 V406 E410 I411 H412	R402-I408 HydrophobicContact CG-CD1 3.59Å; R402-I408 WeakPolarHBondContact O-CD1 3.43Å; E405-I408 VanDerWaalsContact CD-CD1 3.46Å; E405-I408 HydrophobicContact CG-CB 3.72Å; E405-I408 HydrophobicContact CG-CD1 3.75Å; E405-I408 HydrophobicContact CG-CG1 3.65Å; E405-I408 PolarHBondContact O-N 3.22Å; E405-I408 WeakPolarHBondContact OE1-CD1 3.41Å; E405-I408 VanDerWaalsContact OE1-CG1 3.27Å; E405-I408 WeakPolarHBondContact OE1-CG1 3.29Å; V406-I408 PolarHBondContact O-N 2.82Å; I408-E410 PolarHBondContact O-N 3.03Å; I408-I411 PolarHBondContact O-N 2.95Å; I408-H412 WeakPolarHBondContact O-CB 3.48Å; I408-H412 PolarHBondContact O-CD2 3.49Å; I408-H412 PolarHBondContact O-N 2.69Å
409	Q	83.3	Confident	84.3	Confident	29 Å²	29	59.9 Å²	59.9	14%	0.136	27%	0.27	C	S	.	.	H	α-helix	trans	-61.9	-42.1	177	-69.6	-64.4	-27.9	0	0	112.3	T403 E405 V406 I411 H413 K414 I446	T403-Q409 PolarHBondContact O-NE2 3.4Å; E405-Q409 PolarHBondContact O-N 2.89Å; V406-Q409 PolarHBondContact O-N 2.7Å; Q409-I411 PolarHBondContact O-N 2.8Å; Q409-H413 CarbonylContact O-C 3.59Å; Q409-H413 WeakPolarHBondContact O-CA 3.26Å; Q409-H413 WeakPolarHBondContact O-CB 3.5Å; Q409-H413 PolarHBondContact O-N 3.37Å; Q409-H413 PolarHBondContact OE1-CD2 2.98Å; Q409-K414 PolarHBondContact O-N 3.46Å; Q409-K414 VanDerWaalsContact O-N 3.13Å; Q409-I446 HydrophobicContact CB-CD1 4.42Å; Q409-I446 HydrophobicContact CG-CG1 4.22Å
410	E	77.9	Confident	84	Confident	63 Å²	63	57.4 Å²	57.4	29%	0.294	27%	0.266	S	S	.	.	H	α-helix	trans	-65.5	-39.3	175.7	-172.3	173.2	-154.5	0	0	111.8	V406 I408 K414 R416	V406-E410 WeakPolarHBondContact O-CB 3.14Å; V406-E410 PolarHBondContact O-N 3.33Å; I408-E410 PolarHBondContact O-N 3.03Å; E410-K414 VanDerWaalsContact O-CA 3.29Å; E410-K414 WeakPolarHBondContact O-CA 3.35Å; E410-K414 PolarHBondContact O-N 3.17Å; E410-R416 IonicContact OE1-CZ 3.86Å; E410-R416 IonicContact OE1-NE 2.69Å; E410-R416 PolarHBondContact OE1-NE 3.23Å; E410-R416 IonicContact OE1-NH2 3.68Å; E410-R416 PolarHBondContact OE1-NH2 3.35Å
411	I	76	Confident	84	Confident	71 Å²	71	61.5 Å²	61.5	36%	0.364	29%	0.285	S	S	.	.	H	α-helix	trans	-69.7	-44	179.8	-71	169.6	0	0	0	112	I81 A84 G407 I408 Q409	I81-I411 HydrophobicContact CG1-CD1 4.38Å; I81-I411 HydrophobicContact CG1-CG2 4.33Å; A84-I411 HydrophobicContact CB-CD1 3.78Å; G407-I411 VanDerWaalsContact O-CD1 3.26Å; G407-I411 WeakPolarHBondContact O-CD1 3.26Å; G407-I411 WeakPolarHBondContact O-CG1 2.96Å; G407-I411 PolarHBondContact O-N 2.83Å; I408-I411 PolarHBondContact O-N 2.95Å; Q409-I411 PolarHBondContact O-N 2.8Å
412	H	77.7	Confident	84	Confident	111 Å²	111	64.8 Å²	64.8	51%	0.514	30%	0.302	S	S	.	.	H	α-helix	trans	-90.7	-37.1	-172.4	-76.1	-78.3	0	0	0	113.6	I408	I408-H412 WeakPolarHBondContact O-CB 3.48Å; I408-H412 PolarHBondContact O-CD2 3.49Å; I408-H412 PolarHBondContact O-N 2.69Å
413	H	78.7	Confident	84.3	Confident	119 Å²	119	63.4 Å²	63.4	55%	0.551	30%	0.3	S	S	*	.	H	α-helix	trans	-118.7	-8.2	-171.4	-57.1	-71.9	0	0	0	113.4	Q409 V415	Q409-H413 CarbonylContact O-C 3.59Å; Q409-H413 WeakPolarHBondContact O-CA 3.26Å; Q409-H413 WeakPolarHBondContact O-CB 3.5Å; Q409-H413 PolarHBondContact O-N 3.37Å; Q409-H413 PolarHBondContact OE1-CD2 2.98Å; H413-V415 HydrophobicContact CB-CG2 3.79Å; H413-V415 PolarHBondContact O-N 2.79Å
414	K	78.5	Confident	84.6	Confident	184 Å²	184	65.6 Å²	65.6	80%	0.8	31%	0.305	S	S	*	.			trans	55.6	27.3	-176.6	-56.1	-178.7	-179.4	178.8	0	113.3	Q409 E410	Q409-K414 PolarHBondContact O-N 3.46Å; Q409-K414 VanDerWaalsContact O-N 3.13Å; E410-K414 VanDerWaalsContact O-CA 3.29Å; E410-K414 WeakPolarHBondContact O-CA 3.35Å; E410-K414 PolarHBondContact O-N 3.17Å
415	V	76.6	Confident	84.9	Confident	46 Å²	46	67.9 Å²	67.9	28%	0.279	31%	0.314	S	S	.	.			trans	-90.2	144.5	179	-175.8	0	0	0	0	109.7	H413 Q444 I446	H413-V415 HydrophobicContact CB-CG2 3.79Å; H413-V415 PolarHBondContact O-N 2.79Å; V415-Q444 VanDerWaalsContact CG1-OE1 3.25Å; V415-I446 HydrophobicContact CB-CD1 4.26Å; V415-I446 HydrophobicContact CG1-CD1 3.66Å
416	R	76.1	Confident	85.3	Confident	164 Å²	164	71.2 Å²	71.2	62%	0.619	33%	0.332	S	S	*	.			trans	-124	139	172.5	-68.8	-176.7	173.4	178.9	-2	109.2	E410 Q444	E410-R416 IonicContact OE1-CZ 3.86Å; E410-R416 IonicContact OE1-NE 2.69Å; E410-R416 PolarHBondContact OE1-NE 3.23Å; E410-R416 IonicContact OE1-NH2 3.68Å; E410-R416 PolarHBondContact OE1-NH2 3.35Å; R416-Q444 PolarHBondContact O-OE1 2.81Å; R416-Q444 VanDerWaalsContact O-OE1 3.13Å
417	P	80.2	Confident	85.9	Confident	16 Å²	16	71.6 Å²	71.6	10%	0.104	33%	0.333	C	S	.	.			trans	-64.1	143	177.5	28.9	-35.4	0	0	0	109.9	V406 V420 D441 I448 F492	V406-P417 HydrophobicContact CG2-CG 4.36Å; P417-V420 HydrophobicContact CB-CG2 4.21Å; P417-D441 WeakPolarHBondContact CA-OD2 3.29Å; P417-D441 HydrophobicContact CB-CB 3.89Å; P417-I448 HydrophobicContact CB-CD1 3.95Å; P417-I448 HydrophobicContact CG-CD1 3.75Å; P417-I448 HydrophobicContact CG-CG1 4.22Å; P417-F492 HydrophobicContact CG-CE1 3.75Å; P417-F492 HydrophobicContact CG-CZ 3.68Å
418	Y	80.5	Confident	86.8	Confident	141 Å²	141	74.9 Å²	74.9	55%	0.553	35%	0.35	S	S	*	.	S	Bend	trans	-118.8	-32.9	177.8	67.2	-91.8	0	0	0	112.4	D441 D443 Q444	Y418-D441 PolarHBondContact N-OD2 3.07Å; Y418-D443 WeakPolarHBondContact OH-CB 3.42Å; Y418-D443 PolarHBondContact OH-OD2 3.45Å; Y418-Q444 HydrophobicContact CD1-CG 4.27Å; Y418-Q444 HydrophobicContact CE1-CG 3.74Å
419	Q	87	Confident	87.5	Confident	84 Å²	84	74.1 Å²	74.1	39%	0.393	35%	0.346	S	S	.	.	S	Bend	trans	-121.4	106.9	179.3	177.7	168.2	-20.1	0	0	108.7	E421 D441	Q419-E421 HydrophobicContact CG-CG 4.45Å; Q419-E421 PolarHBondContact NE2-OE1 3.13Å; Q419-D441 PolarHBondContact N-OD2 3.26Å; Q419-D441 WeakPolarHBondContact O-CA 3.2Å; Q419-D441 WeakPolarHBondContact O-CB 3.23Å; Q419-D441 VanDerWaalsContact O-CG 3.27Å
420	V	89.6	Confident	88.1	Confident	51 Å²	51	73.3 Å²	73.3	31%	0.309	34%	0.343	S	S	.	.			trans	-106.7	122.6	-174.5	-179.8	0	0	0	0	110	P417 Y439 E440 I448 F497	P417-V420 HydrophobicContact CB-CG2 4.21Å; V420-Y439 HydrophobicContact CG1-CD1 3.75Å; V420-Y439 HydrophobicContact CG1-CG 4.3Å; V420-E440 WeakPolarHBondContact CA-O 3.47Å; V420-I448 HydrophobicContact CB-CD1 4.13Å; V420-I448 HydrophobicContact CG1-CD1 3.67Å; V420-I448 HydrophobicContact CG2-CD1 3.32Å; V420-F497 HydrophobicContact CG1-CE1 3.79Å; V420-F497 HydrophobicContact CG1-CZ 3.99Å
421	E	94	Very high	88.7	Confident	85 Å²	85	73.8 Å²	73.8	40%	0.397	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	149.7	-178.4	-64.1	-176.7	-170.4	0	0	111.4	Q419 Y439 E440 P442	Q419-E421 HydrophobicContact CG-CG 4.45Å; Q419-E421 PolarHBondContact NE2-OE1 3.13Å; E421-Y439 WeakPolarHBondContact O-CA 3.19Å; E421-E440 PolarHBondContact N-O 3.11Å; E421-E440 PolarHBondContact O-N 3.36Å; E421-P442 HydrophobicContact CB-CG 4.16Å; E421-P442 HydrophobicContact CG-CG 4.3Å
422	L	96.6	Very high	89.6	Confident	70 Å²	70	70.7 Å²	70.7	37%	0.366	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	116.8	170	176.9	66.4	0	0	0	108.9	Y439 L501 E504	L422-Y439 HydrophobicContact CB-CD1 4.28Å; L422-Y439 HydrophobicContact CB-CE1 3.8Å; L422-Y439 HydrophobicContact CD1-CD2 4.4Å; L422-Y439 HydrophobicContact CD1-CE1 4.46Å; L422-Y439 HydrophobicContact CD1-CE2 4.08Å; L422-L501 HydrophobicContact CD1-CD2 4.07Å; L422-E504 HydrophobicContact CD2-CB 4.4Å; L422-E504 HydrophobicContact CD2-CG 4.01Å
423	V	97.8	Very high	90.5	Very high	30 Å²	30	69.1 Å²	69.1	18%	0.182	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	135.5	177.9	-175.2	0	0	0	0	109.5	R425 S438 E440	V423-R425 HydrophobicContact CG1-CG 4.46Å; V423-S438 PolarHBondContact N-O 2.78Å; V423-S438 PolarHBondContact O-N 3.21Å; V423-S438 PolarHBondContact O-OG 3.08Å; V423-E440 HydrophobicContact CG2-CB 4.18Å; V423-E440 HydrophobicContact CG2-CG 4.47Å
424	R	98.1	Very high	91.4	Very high	75 Å²	75	63.5 Å²	63.5	28%	0.283	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	135.7	176.1	176.3	177	173.7	172.6	1	110.3	D426 W433 T435 L437 E512	R424-D426 IonicContact CZ-OD1 3.77Å; R424-D426 IonicContact CZ-OD2 2.79Å; R424-D426 IonicContact NE-OD1 2.81Å; R424-D426 PolarHBondContact NE-OD1 2.74Å; R424-D426 IonicContact NE-OD2 3.17Å; R424-D426 PolarHBondContact NE-OD2 2.84Å; R424-D426 IonicContact NH2-OD1 3.38Å; R424-D426 PolarHBondContact NH2-OD1 3.07Å; R424-D426 IonicContact NH2-OD2 3.09Å; R424-D426 PolarHBondContact NH2-OD2 3.31Å; R424-W433 VanDerWaalsContact NH2-CZ2 3.27Å; R424-T435 HydrophobicContact CG-CG2 3.89Å; R424-L437 HydrophobicContact CB-CD2 3.88Å; R424-L437 HydrophobicContact CG-CD2 3.85Å; R424-E512 IonicContact CZ-OE1 2.62Å; R424-E512 IonicContact CZ-OE2 3.03Å; R424-E512 IonicContact NH1-OE1 3.76Å; R424-E512 PolarHBondContact NH1-OE1 3.44Å; R424-E512 IonicContact NH1-OE2 2.87Å; R424-E512 PolarHBondContact NH1-OE2 3.06Å; R424-E512 IonicContact NH2-OE2 3.85Å; R424-E512 PolarHBondContact NH2-OE2 3.21Å
425	R	98.3	Very high	92.4	Very high	51 Å²	51	54.8 Å²	54.8	19%	0.192	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	119.4	173.3	-60.9	179.6	-179	88.9	-2.1	109.4	V423 F436 S438 E440	V423-R425 HydrophobicContact CG1-CG 4.46Å; R425-F436 HydrophobicContact CB-CB 4.43Å; R425-F436 PolarHBondContact N-O 3.49Å; R425-F436 PolarHBondContact O-N 3.26Å; R425-S438 PolarHBondContact NH1-OG 3.05Å; R425-E440 IonicContact CZ-OE1 3.28Å; R425-E440 IonicContact CZ-OE2 3.66Å; R425-E440 VanDerWaalsContact NH1-CD 3.33Å; R425-E440 IonicContact NH1-OE1 3.81Å; R425-E440 PolarHBondContact NH1-OE1 3.01Å; R425-E440 IonicContact NH1-OE2 2.73Å; R425-E440 PolarHBondContact NH1-OE2 3.49Å; R425-E440 IonicContact NH2-OE1 3.15Å; R425-E440 IonicContact NH2-OE2 2.81Å; R425-E440 PolarHBondContact NH2-OE2 3.48Å
426	D	98.4	Very high	93.4	Very high	74 Å²	74	52.6 Å²	52.6	40%	0.396	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	140.4	177.6	-67.4	-64.7	0	0	0	110.8	R424 W433 E434 T435	R424-D426 IonicContact CZ-OD1 3.77Å; R424-D426 IonicContact CZ-OD2 2.79Å; R424-D426 IonicContact NE-OD1 2.81Å; R424-D426 PolarHBondContact NE-OD1 2.74Å; R424-D426 IonicContact NE-OD2 3.17Å; R424-D426 PolarHBondContact NE-OD2 2.84Å; R424-D426 IonicContact NH2-OD1 3.38Å; R424-D426 PolarHBondContact NH2-OD1 3.07Å; R424-D426 IonicContact NH2-OD2 3.09Å; R424-D426 PolarHBondContact NH2-OD2 3.31Å; D426-W433 PolarHBondContact OD1-NE1 2.82Å; D426-E434 WeakPolarHBondContact CA-O 3.35Å; D426-T435 VanDerWaalsContact OD1-CB 3.28Å; D426-T435 WeakPolarHBondContact OD1-CB 3.4Å; D426-T435 VanDerWaalsContact OD1-CG2 3.31Å; D426-T435 WeakPolarHBondContact OD1-CG2 3.23Å; D426-T435 PolarHBondContact OD1-OG1 2.74Å
427	Y	98.1	Very high	94.5	Very high	12 Å²	12	44.8 Å²	44.8	5%	0.047	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	149.3	174.6	58.8	-85	0	0	0	111.2	W359 A429 E434 F436	W359-Y427 HydrophobicContact CB-CE1 4.04Å; W359-Y427 AromaticContact CD1-CE1 3.82Å; W359-Y427 AromaticContact CD1-CZ 3.58Å; W359-Y427 AromaticContact CD2-CD1 3.93Å; W359-Y427 HydrophobicContact CD2-CD1 3.93Å; W359-Y427 AromaticContact CD2-CE1 3.8Å; W359-Y427 HydrophobicContact CD2-CE1 3.8Å; W359-Y427 HydrophobicContact CE3-CD1 4.22Å; W359-Y427 HydrophobicContact CE3-CE1 4.41Å; W359-Y427 HydrophobicContact CG-CD1 4.24Å; W359-Y427 AromaticContact CG-CE1 3.61Å; W359-Y427 HydrophobicContact CG-CE1 3.61Å; W359-Y427 AromaticContact CG-CZ 3.86Å; W359-Y427 HydrophobicContact CZ2-CG 4.37Å; W359-Y427 AromaticContact NE1-CE2 3.95Å; W359-Y427 AromaticContact NE1-CZ 3.85Å; Y427-A429 HydrophobicContact CD2-CB 4.1Å; Y427-A429 HydrophobicContact CE2-CB 4.07Å; Y427-E434 HydrophobicContact CD1-CB 4.2Å; Y427-E434 HydrophobicContact CD2-CB 3.81Å; Y427-E434 HydrophobicContact CD2-CG 4.15Å; Y427-E434 HydrophobicContact CE1-CB 3.86Å; Y427-E434 HydrophobicContact CE2-CB 3.44Å; Y427-E434 VanDerWaalsContact CE2-CB 3.44Å; Y427-E434 HydrophobicContact CE2-CG 3.61Å; Y427-E434 HydrophobicContact CG-CB 4.18Å; Y427-E434 VanDerWaalsContact CZ-CB 3.46Å; Y427-E434 PolarHBondContact N-O 2.78Å; Y427-E434 WeakPolarHBondContact O-CB 3.45Å; Y427-E434 PolarHBondContact O-N 2.97Å; Y427-F436 HydrophobicContact CE1-CB 4.15Å
428	V	97.3	Very high	95.3	Very high	81 Å²	81	44 Å²	44	49%	0.491	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	132.6	171.7	180	0	0	0	0	108.9	P308 R311 G432	P308-V428 HydrophobicContact CB-CG1 4.2Å; R311-V428 WeakPolarHBondContact CD-O 3Å; R311-V428 PolarHBondContact NH1-O 2.99Å; V428-G432 WeakPolarHBondContact CA-O 3.38Å
429	A	97.1	Very high	96.1	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	130	169.2	0	0	0	0	0	111.3	K275 P308 R311 Y427 G431 G432 E434 R454	K275-A429 HydrophobicContact CD-CB 4.47Å; K275-A429 VanDerWaalsContact NZ-CB 3.3Å; P308-A429 CarbonylContact O-C 3.55Å; P308-A429 WeakPolarHBondContact O-CA 3.42Å; R311-A429 HydrophobicContact CB-CB 3.93Å; Y427-A429 HydrophobicContact CD2-CB 4.1Å; Y427-A429 HydrophobicContact CE2-CB 4.07Å; A429-G431 VanDerWaalsContact C-N 3.32Å; A429-G431 PolarHBondContact O-N 3.01Å; A429-G432 PolarHBondContact N-O 2.98Å; A429-G432 PolarHBondContact O-N 2.75Å; A429-E434 HydrophobicContact CB-CG 3.95Å; A429-R454 PolarHBondContact O-NH1 3.3Å
430	N	95.8	Very high	96.4	Very high	12 Å²	12	34.9 Å²	34.9	6%	0.064	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	48	53.9	178.6	-56.2	92.2	0	0	0	111.2	C268 F271 H272 K275 P308 A309 F310 G432 R454	C268-N430 PolarHBondContact O-ND2 2.62Å; F271-N430 WeakPolarHBondContact CB-ND2 3.17Å; H272-N430 HydrophobicContact CB-CB 3.83Å; H272-N430 PolarHBondContact CE1-O 2.91Å; H272-N430 PolarHBondContact ND1-O 3.46Å; K275-N430 HydrophobicContact CD-CB 4.44Å; K275-N430 WeakPolarHBondContact CD-OD1 3.17Å; K275-N430 WeakPolarHBondContact CE-OD1 3.4Å; K275-N430 PolarHBondContact NZ-OD1 3.44Å; P308-N430 PolarHBondContact O-N 3.42Å; A309-N430 PolarHBondContact O-ND2 3.48Å; F310-N430 PolarHBondContact O-OD1 3.28Å; N430-G432 PolarHBondContact O-N 3.17Å; N430-R454 PolarHBondContact O-NH2 2.74Å
431	G	91.4	Very high	96.6	Very high	72 Å²	72	32.5 Å²	32.5	74%	0.742	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	70	-2.2	179.1	0	0	0	0	0	116.4	A429	A429-G431 VanDerWaalsContact C-N 3.32Å; A429-G431 PolarHBondContact O-N 3.01Å
432	G	93.4	Very high	96.4	Very high	7 Å²	7	30.9 Å²	30.9	7%	0.072	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	159.8	179.5	0	0	0	0	0	113.5	V428 A429 N430	V428-G432 WeakPolarHBondContact CA-O 3.38Å; A429-G432 PolarHBondContact N-O 2.98Å; A429-G432 PolarHBondContact O-N 2.75Å; N430-G432 PolarHBondContact O-N 3.17Å
433	W	96.5	Very high	96.1	Very high	78 Å²	78	32.7 Å²	32.7	30%	0.295	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	114	174.7	178.4	10.4	0	0	0	109.6	R424 D426 T435 R454 K455 E512 H513	R424-W433 VanDerWaalsContact NH2-CZ2 3.27Å; D426-W433 PolarHBondContact OD1-NE1 2.82Å; W433-T435 PolarHBondContact NE1-OG1 2.7Å; W433-R454 WeakPolarHBondContact O-CA 3.41Å; W433-K455 HydrophobicContact CB-CB 4.24Å; W433-K455 HydrophobicContact CE3-CD 4.2Å; W433-K455 PolarHBondContact O-N 2.77Å; W433-E512 HydrophobicContact CH2-CB 3.97Å; W433-E512 HydrophobicContact CZ3-CB 4.49Å; W433-H513 AromaticContact CD2-NE2 3.64Å; W433-H513 AromaticContact CE2-NE2 3.87Å; W433-H513 AromaticContact CE3-CD2 3.38Å; W433-H513 AromaticContact CE3-NE2 3.52Å; W433-H513 AromaticContact CH2-CD2 3.66Å; W433-H513 AromaticContact CH2-NE2 3.95Å; W433-H513 AromaticContact CZ3-CD2 3.18Å; W433-H513 WeakPolarHBondContact CZ3-CD2 3.48Å; W433-H513 AromaticContact CZ3-NE2 3.68Å
434	E	98.5	Very high	95.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	135.5	171.1	-60.5	-76.3	167.6	0	0	109.9	D426 Y427 A429 L453 R454 R473	D426-E434 WeakPolarHBondContact CA-O 3.35Å; Y427-E434 HydrophobicContact CD1-CB 4.2Å; Y427-E434 HydrophobicContact CD2-CB 3.81Å; Y427-E434 HydrophobicContact CD2-CG 4.15Å; Y427-E434 HydrophobicContact CE1-CB 3.86Å; Y427-E434 HydrophobicContact CE2-CB 3.44Å; Y427-E434 VanDerWaalsContact CE2-CB 3.44Å; Y427-E434 HydrophobicContact CE2-CG 3.61Å; Y427-E434 HydrophobicContact CG-CB 4.18Å; Y427-E434 VanDerWaalsContact CZ-CB 3.46Å; Y427-E434 PolarHBondContact N-O 2.78Å; Y427-E434 WeakPolarHBondContact O-CB 3.45Å; Y427-E434 PolarHBondContact O-N 2.97Å; A429-E434 HydrophobicContact CB-CG 3.95Å; E434-L453 CarbonylContact C-O 3.34Å; E434-L453 WeakPolarHBondContact CA-O 3.48Å; E434-R454 VanDerWaalsContact OE1-CD 3.23Å; E434-R454 WeakPolarHBondContact OE1-CD 3.16Å; E434-R454 IonicContact OE1-CZ 3.75Å; E434-R454 IonicContact OE1-NE 2.7Å; E434-R454 IonicContact OE1-NH1 3.21Å; E434-R454 PolarHBondContact OE1-NH1 2.89Å; E434-R473 IonicContact OE1-CZ 3.2Å; E434-R473 IonicContact OE1-NE 2.66Å; E434-R473 IonicContact OE1-NH1 3.3Å; E434-R473 PolarHBondContact OE1-NH1 2.95Å; E434-R473 IonicContact OE2-CZ 3.17Å; E434-R473 IonicContact OE2-NH1 2.77Å; E434-R473 PolarHBondContact OE2-NH1 3.49Å
435	T	98.7	Very high	95.4	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.006	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	119	172.2	-56.5	0	0	0	0	108.5	R424 D426 W433 L437 L453 I508	R424-T435 HydrophobicContact CG-CG2 3.89Å; D426-T435 VanDerWaalsContact OD1-CB 3.28Å; D426-T435 WeakPolarHBondContact OD1-CB 3.4Å; D426-T435 VanDerWaalsContact OD1-CG2 3.31Å; D426-T435 WeakPolarHBondContact OD1-CG2 3.23Å; D426-T435 PolarHBondContact OD1-OG1 2.74Å; W433-T435 PolarHBondContact NE1-OG1 2.7Å; T435-L437 HydrophobicContact CG2-CD2 3.87Å; T435-L437 HydrophobicContact CG2-CG 4.04Å; T435-L453 PolarHBondContact N-O 2.97Å; T435-L453 PolarHBondContact O-N 2.92Å; T435-I508 HydrophobicContact CG2-CD1 4.2Å
436	F	98.8	Very high	95.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	106.5	172	-177.5	-95.5	0	0	0	109	W359 V401 R425 Y427 L450 R452	W359-F436 HydrophobicContact CB-CB 3.98Å; W359-F436 HydrophobicContact CB-CD1 4.14Å; W359-F436 HydrophobicContact CB-CD2 3.65Å; W359-F436 HydrophobicContact CB-CE2 4.12Å; W359-F436 HydrophobicContact CB-CG 3.66Å; V401-F436 HydrophobicContact CG2-CZ 4.29Å; R425-F436 HydrophobicContact CB-CB 4.43Å; R425-F436 PolarHBondContact N-O 3.49Å; R425-F436 PolarHBondContact O-N 3.26Å; Y427-F436 HydrophobicContact CE1-CB 4.15Å; F436-L450 HydrophobicContact CE2-CB 3.81Å; F436-L450 HydrophobicContact CE2-CD1 4.22Å; F436-L450 HydrophobicContact CE2-CD2 4.19Å; F436-L450 HydrophobicContact CE2-CG 4.29Å; F436-L450 HydrophobicContact CZ-CB 3.71Å; F436-L450 HydrophobicContact CZ-CD2 4.2Å; F436-L450 HydrophobicContact CZ-CG 4.45Å; F436-R452 HydrophobicContact CD2-CG 4.25Å
437	L	98.6	Very high	94.9	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	140.1	172.9	-60.7	175.6	0	0	0	109.2	R424 T435 L450 L451 L501 E504 A505 I508	R424-L437 HydrophobicContact CB-CD2 3.88Å; R424-L437 HydrophobicContact CG-CD2 3.85Å; T435-L437 HydrophobicContact CG2-CD2 3.87Å; T435-L437 HydrophobicContact CG2-CG 4.04Å; L437-L450 CarbonylContact O-C 3.5Å; L437-L450 VanDerWaalsContact O-CA 3.22Å; L437-L450 WeakPolarHBondContact O-CA 3.5Å; L437-L451 HydrophobicContact CB-CB 4.33Å; L437-L451 HydrophobicContact CD1-CD2 4.32Å; L437-L451 PolarHBondContact N-O 3.02Å; L437-L451 PolarHBondContact O-N 3.34Å; L437-L501 HydrophobicContact CB-CD2 3.82Å; L437-E504 HydrophobicContact CD1-CB 4.21Å; L437-E504 HydrophobicContact CD1-CG 3.93Å; L437-E504 HydrophobicContact CD2-CG 4.28Å; L437-A505 HydrophobicContact CD1-CB 4.17Å; L437-I508 HydrophobicContact CD1-CD1 4.1Å; L437-I508 HydrophobicContact CD2-CD1 3.81Å; L437-I508 HydrophobicContact CG-CD1 4.42Å
438	S	97.9	Very high	94.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	142	179.8	50	0	0	0	0	111.8	V423 R425 E440 G449	V423-S438 PolarHBondContact N-O 2.78Å; V423-S438 PolarHBondContact O-N 3.21Å; V423-S438 PolarHBondContact O-OG 3.08Å; R425-S438 PolarHBondContact NH1-OG 3.05Å; S438-E440 VanDerWaalsContact OG-CD 3.24Å; S438-E440 WeakPolarHBondContact OG-CG 3.37Å; S438-E440 PolarHBondContact OG-OE1 3.09Å; S438-E440 VanDerWaalsContact OG-OE1 3.11Å; S438-G449 CarbonylContact C-O 3.42Å; S438-G449 WeakPolarHBondContact CA-O 3.45Å; S438-G449 WeakPolarHBondContact CB-O 3.38Å
439	Y	95.7	Very high	94.4	Very high	32 Å²	32	21.8 Å²	21.8	13%	0.125	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	118.1	161.2	-83	-75.8	0	0	0	108.6	V420 E421 L422 I448 G449 F497 L500 L501	V420-Y439 HydrophobicContact CG1-CD1 3.75Å; V420-Y439 HydrophobicContact CG1-CG 4.3Å; E421-Y439 WeakPolarHBondContact O-CA 3.19Å; L422-Y439 HydrophobicContact CB-CD1 4.28Å; L422-Y439 HydrophobicContact CB-CE1 3.8Å; L422-Y439 HydrophobicContact CD1-CD2 4.4Å; L422-Y439 HydrophobicContact CD1-CE1 4.46Å; L422-Y439 HydrophobicContact CD1-CE2 4.08Å; Y439-I448 WeakPolarHBondContact O-CB 3.41Å; Y439-I448 PolarHBondContact O-N 2.92Å; Y439-G449 PolarHBondContact N-O 3.42Å; Y439-G449 PolarHBondContact O-N 2.83Å; Y439-F497 AromaticContact CD1-CD1 3.94Å; Y439-F497 HydrophobicContact CD1-CD1 3.94Å; Y439-F497 AromaticContact CD1-CE1 3.97Å; Y439-F497 HydrophobicContact CD1-CE1 3.97Å; Y439-F497 HydrophobicContact CD2-CB 4.16Å; Y439-F497 AromaticContact CD2-CD1 3.56Å; Y439-F497 HydrophobicContact CD2-CD1 3.56Å; Y439-F497 HydrophobicContact CD2-CE1 4.4Å; Y439-F497 HydrophobicContact CD2-CG 4.25Å; Y439-F497 HydrophobicContact CE1-CD1 4.25Å; Y439-F497 HydrophobicContact CE1-CE1 4.35Å; Y439-F497 AromaticContact CE2-CD1 3.93Å; Y439-F497 HydrophobicContact CE2-CD1 3.93Å; Y439-F497 AromaticContact CG-CD1 3.56Å; Y439-F497 HydrophobicContact CG-CD1 3.56Å; Y439-F497 AromaticContact CG-CE1 3.98Å; Y439-F497 HydrophobicContact CG-CE1 3.98Å; Y439-F497 HydrophobicContact CG-CG 4.44Å; Y439-L500 HydrophobicContact CE2-CB 3.8Å; Y439-L500 HydrophobicContact CE2-CD1 4.38Å; Y439-L500 WeakPolarHBondContact OH-CB 3.27Å; Y439-L501 HydrophobicContact CD2-CD1 4.34Å; Y439-L501 HydrophobicContact CD2-CD2 3.9Å; Y439-L501 HydrophobicContact CD2-CG 3.83Å; Y439-L501 HydrophobicContact CE2-CD2 4.11Å; Y439-L501 HydrophobicContact CE2-CG 3.97Å
440	E	94.7	Very high	94.4	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.009	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	155.2	-174.4	-57.5	-175.6	158.4	0	0	110.1	R404 V420 E421 V423 R425 S438 P442 I446 L447	R404-E440 IonicContact CZ-OE1 3.44Å; R404-E440 IonicContact CZ-OE2 2.74Å; R404-E440 IonicContact NH1-OE1 2.83Å; R404-E440 PolarHBondContact NH1-OE1 3.29Å; R404-E440 IonicContact NH1-OE2 3.81Å; R404-E440 IonicContact NH2-OE1 3.9Å; R404-E440 PolarHBondContact NH2-OE1 3.28Å; R404-E440 VanDerWaalsContact NH2-OE1 3.09Å; R404-E440 IonicContact NH2-OE2 3.56Å; R404-E440 PolarHBondContact NH2-OE2 3.02Å; V420-E440 WeakPolarHBondContact CA-O 3.47Å; E421-E440 PolarHBondContact N-O 3.11Å; E421-E440 PolarHBondContact O-N 3.36Å; V423-E440 HydrophobicContact CG2-CB 4.18Å; V423-E440 HydrophobicContact CG2-CG 4.47Å; R425-E440 IonicContact CZ-OE1 3.28Å; R425-E440 IonicContact CZ-OE2 3.66Å; R425-E440 VanDerWaalsContact NH1-CD 3.33Å; R425-E440 IonicContact NH1-OE1 3.81Å; R425-E440 PolarHBondContact NH1-OE1 3.01Å; R425-E440 IonicContact NH1-OE2 2.73Å; R425-E440 PolarHBondContact NH1-OE2 3.49Å; R425-E440 IonicContact NH2-OE1 3.15Å; R425-E440 IonicContact NH2-OE2 2.81Å; R425-E440 PolarHBondContact NH2-OE2 3.48Å; S438-E440 VanDerWaalsContact OG-CD 3.24Å; S438-E440 WeakPolarHBondContact OG-CG 3.37Å; S438-E440 PolarHBondContact OG-OE1 3.09Å; S438-E440 VanDerWaalsContact OG-OE1 3.11Å; E440-P442 WeakPolarHBondContact O-CD 3.46Å; E440-I446 CarbonylContact C-O 3.54Å; E440-I446 WeakPolarHBondContact CA-O 3.39Å; E440-L447 HydrophobicContact CG-CD1 3.64Å
441	D	93	Very high	94.5	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	103	159.8	-174.4	-47.1	0	0	0	106.8	P417 Y418 Q419 D443 Q444 D445 I446	P417-D441 WeakPolarHBondContact CA-OD2 3.29Å; P417-D441 HydrophobicContact CB-CB 3.89Å; Y418-D441 PolarHBondContact N-OD2 3.07Å; Q419-D441 PolarHBondContact N-OD2 3.26Å; Q419-D441 WeakPolarHBondContact O-CA 3.2Å; Q419-D441 WeakPolarHBondContact O-CB 3.23Å; Q419-D441 VanDerWaalsContact O-CG 3.27Å; D441-D443 VanDerWaalsContact C-N 3.3Å; D441-D443 PolarHBondContact O-N 2.93Å; D441-D443 PolarHBondContact OD1-N 3.32Å; D441-Q444 HydrophobicContact CB-CB 4.42Å; D441-Q444 PolarHBondContact OD1-N 3.42Å; D441-D445 VanDerWaalsContact O-CA 3.26Å; D441-D445 WeakPolarHBondContact O-CA 3.43Å; D441-D445 PolarHBondContact O-N 3.01Å; D441-I446 HydrophobicContact CB-CB 4.16Å; D441-I446 PolarHBondContact N-O 3.38Å; D441-I446 PolarHBondContact O-N 3.21Å; D441-I446 VanDerWaalsContact O-N 3.08Å
442	P	90.9	Very high	94.9	Very high	52 Å²	52	17.9 Å²	17.9	34%	0.338	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-31.7	-172.7	-22.2	34.6	0	0	0	113.3	E421 E440	E421-P442 HydrophobicContact CB-CG 4.16Å; E421-P442 HydrophobicContact CG-CG 4.3Å; E440-P442 WeakPolarHBondContact O-CD 3.46Å
443	D	89.9	Confident	95.2	Very high	108 Å²	108	17.5 Å²	17.5	58%	0.578	9%	0.086	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-41.2	-178	-70.4	-19.4	0	0	0	111.1	Y418 D441	Y418-D443 WeakPolarHBondContact OH-CB 3.42Å; Y418-D443 PolarHBondContact OH-OD2 3.45Å; D441-D443 VanDerWaalsContact C-N 3.3Å; D441-D443 PolarHBondContact O-N 2.93Å; D441-D443 PolarHBondContact OD1-N 3.32Å
444	Q	89.3	Confident	95.2	Very high	68 Å²	68	13.8 Å²	13.8	32%	0.318	7%	0.072	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-4.4	179.5	-58.3	-171.5	-30.1	0	0	113.7	V415 R416 Y418 D441 I446	V415-Q444 VanDerWaalsContact CG1-OE1 3.25Å; R416-Q444 PolarHBondContact O-OE1 2.81Å; R416-Q444 VanDerWaalsContact O-OE1 3.13Å; Y418-Q444 HydrophobicContact CD1-CG 4.27Å; Y418-Q444 HydrophobicContact CE1-CG 3.74Å; D441-Q444 HydrophobicContact CB-CB 4.42Å; D441-Q444 PolarHBondContact OD1-N 3.42Å; Q444-I446 VanDerWaalsContact C-N 3.3Å; Q444-I446 HydrophobicContact CB-CD1 3.73Å; Q444-I446 HydrophobicContact CB-CG1 3.72Å; Q444-I446 PolarHBondContact O-N 2.95Å; Q444-I446 VanDerWaalsContact OE1-CD1 3.3Å
445	D	91.9	Very high	95.2	Very high	25 Å²	25	18 Å²	18	13%	0.134	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	41.1	-172.4	-156.4	30.2	0	0	0	113.7	R399 R404 D441	R399-D445 IonicContact CZ-OD1 2.82Å; R399-D445 IonicContact CZ-OD2 2.86Å; R399-D445 IonicContact NE-OD1 2.83Å; R399-D445 IonicContact NE-OD2 3.62Å; R399-D445 PolarHBondContact NE-OD2 2.83Å; R399-D445 IonicContact NH2-OD1 3.68Å; R399-D445 PolarHBondContact NH2-OD1 3.46Å; R399-D445 IonicContact NH2-OD2 3.75Å; R404-D445 WeakPolarHBondContact CB-O 3.23Å; R404-D445 WeakPolarHBondContact CG-O 3.4Å; R404-D445 IonicContact CZ-OD1 3.54Å; R404-D445 IonicContact NE-OD1 3.74Å; R404-D445 PolarHBondContact NE-OD1 3.29Å; R404-D445 IonicContact NE-OD2 3.65Å; R404-D445 PolarHBondContact NE-OD2 3.07Å; R404-D445 IonicContact NH2-OD1 3.08Å; R404-D445 PolarHBondContact NH2-OD1 2.95Å; D441-D445 VanDerWaalsContact O-CA 3.26Å; D441-D445 WeakPolarHBondContact O-CA 3.43Å; D441-D445 PolarHBondContact O-N 3.01Å
446	I	92.1	Very high	94.9	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.005	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	132.4	-178	-56.9	179.8	0	0	0	110.8	R404 V406 Q409 V415 E440 D441 Q444	R404-I446 CarbonylContact O-C 3.41Å; R404-I446 WeakPolarHBondContact O-CA 3.36Å; V406-I446 HydrophobicContact CB-CG2 3.86Å; V406-I446 HydrophobicContact CG2-CG2 4.17Å; Q409-I446 HydrophobicContact CB-CD1 4.42Å; Q409-I446 HydrophobicContact CG-CG1 4.22Å; V415-I446 HydrophobicContact CB-CD1 4.26Å; V415-I446 HydrophobicContact CG1-CD1 3.66Å; E440-I446 CarbonylContact C-O 3.54Å; E440-I446 WeakPolarHBondContact CA-O 3.39Å; D441-I446 HydrophobicContact CB-CB 4.16Å; D441-I446 PolarHBondContact N-O 3.38Å; D441-I446 PolarHBondContact O-N 3.21Å; D441-I446 VanDerWaalsContact O-N 3.08Å; Q444-I446 VanDerWaalsContact C-N 3.3Å; Q444-I446 HydrophobicContact CB-CD1 3.73Å; Q444-I446 HydrophobicContact CB-CG1 3.72Å; Q444-I446 PolarHBondContact O-N 2.95Å; Q444-I446 VanDerWaalsContact OE1-CD1 3.3Å
447	L	93.2	Very high	94.4	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	125	178	178.7	66.3	0	0	0	111.6	V401 R404 V406 E440 G449 L450 Y478	V401-L447 HydrophobicContact CB-CD2 4.3Å; V401-L447 HydrophobicContact CG1-CD2 3.76Å; V401-L447 HydrophobicContact CG2-CD2 4.38Å; R404-L447 HydrophobicContact CB-CB 3.97Å; R404-L447 PolarHBondContact O-N 3.19Å; V406-L447 PolarHBondContact N-O 3.1Å; E440-L447 HydrophobicContact CG-CD1 3.64Å; L447-G449 WeakPolarHBondContact CD1-O 3.41Å; L447-L450 HydrophobicContact CD2-CD2 4.02Å; L447-Y478 HydrophobicContact CD2-CE2 3.89Å; L447-Y478 HydrophobicContact CG-CD2 4.43Å; L447-Y478 HydrophobicContact CG-CE2 4.07Å
448	I	91.4	Very high	93.8	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	-43.7	-177.4	-58.4	174.9	0	0	0	111.3	P417 V420 Y439 Y478 F492 F497	P417-I448 HydrophobicContact CB-CD1 3.95Å; P417-I448 HydrophobicContact CG-CD1 3.75Å; P417-I448 HydrophobicContact CG-CG1 4.22Å; V420-I448 HydrophobicContact CB-CD1 4.13Å; V420-I448 HydrophobicContact CG1-CD1 3.67Å; V420-I448 HydrophobicContact CG2-CD1 3.32Å; Y439-I448 WeakPolarHBondContact O-CB 3.41Å; Y439-I448 PolarHBondContact O-N 2.92Å; I448-Y478 WeakPolarHBondContact O-CB 3.5Å; I448-Y478 WeakPolarHBondContact O-CD2 3.33Å; I448-Y478 PolarHBondContact O-N 3.37Å; I448-F492 HydrophobicContact CG2-CB 4.37Å; I448-F497 HydrophobicContact CG2-CD2 3.82Å; I448-F497 HydrophobicContact CG2-CE2 3.76Å; I448-F497 HydrophobicContact CG2-CZ 4.42Å
449	G	93.2	Very high	93.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	155.9	178.2	0	0	0	0	0	111.5	S438 Y439 L447 H476	S438-G449 CarbonylContact C-O 3.42Å; S438-G449 WeakPolarHBondContact CA-O 3.45Å; S438-G449 WeakPolarHBondContact CB-O 3.38Å; Y439-G449 PolarHBondContact N-O 3.42Å; Y439-G449 PolarHBondContact O-N 2.83Å; L447-G449 WeakPolarHBondContact CD1-O 3.41Å; G449-H476 CarbonylContact C-O 3.55Å; G449-H476 VanDerWaalsContact CA-O 3.23Å; G449-H476 WeakPolarHBondContact CA-O 3.48Å
450	L	97.7	Very high	93	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	153.7	-179.9	66.3	88.4	0	0	0	111.8	V401 F436 L437 L447 E474 H476 Y478	V401-L450 HydrophobicContact CG1-CD2 3.7Å; F436-L450 HydrophobicContact CE2-CB 3.81Å; F436-L450 HydrophobicContact CE2-CD1 4.22Å; F436-L450 HydrophobicContact CE2-CD2 4.19Å; F436-L450 HydrophobicContact CE2-CG 4.29Å; F436-L450 HydrophobicContact CZ-CB 3.71Å; F436-L450 HydrophobicContact CZ-CD2 4.2Å; F436-L450 HydrophobicContact CZ-CG 4.45Å; L437-L450 CarbonylContact O-C 3.5Å; L437-L450 VanDerWaalsContact O-CA 3.22Å; L437-L450 WeakPolarHBondContact O-CA 3.5Å; L447-L450 HydrophobicContact CD2-CD2 4.02Å; L450-E474 HydrophobicContact CD1-CG 3.93Å; L450-H476 HydrophobicContact CD1-CB 4.06Å; L450-H476 HydrophobicContact CG-CB 4.05Å; L450-H476 PolarHBondContact N-O 3.04Å; L450-H476 PolarHBondContact O-N 3.36Å; L450-Y478 HydrophobicContact CD2-CE2 4.12Å
451	L	98.7	Very high	92.9	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	135.3	171	-175.9	161.6	0	0	0	109.6	L437 L453 V472 E474 L475 L501 M502 A505	L437-L451 HydrophobicContact CB-CB 4.33Å; L437-L451 HydrophobicContact CD1-CD2 4.32Å; L437-L451 PolarHBondContact N-O 3.02Å; L437-L451 PolarHBondContact O-N 3.34Å; L451-L453 HydrophobicContact CD2-CB 3.82Å; L451-V472 HydrophobicContact CD1-CG1 4.12Å; L451-V472 HydrophobicContact CD2-CG1 4Å; L451-V472 HydrophobicContact CD2-CG2 4.26Å; L451-V472 HydrophobicContact CG-CG1 3.82Å; L451-E474 CarbonylContact C-O 3.57Å; L451-E474 VanDerWaalsContact CA-O 3.24Å; L451-E474 WeakPolarHBondContact CA-O 3.1Å; L451-L475 HydrophobicContact CB-CD1 4.25Å; L451-L475 HydrophobicContact CD1-CD1 4.22Å; L451-L501 HydrophobicContact CB-CB 4.09Å; L451-L501 HydrophobicContact CB-CD1 4.38Å; L451-L501 HydrophobicContact CB-CD2 4.31Å; L451-L501 HydrophobicContact CB-CG 4.5Å; L451-L501 HydrophobicContact CD1-CB 3.92Å; L451-L501 WeakPolarHBondContact CD1-O 3.43Å; L451-M502 HydrophobicContact CD1-CG 4.36Å; L451-M502 HydrophobicContact CD1-SD 3.65Å; L451-A505 HydrophobicContact CD1-CB 3.75Å; L451-A505 HydrophobicContact CD2-CB 3.79Å; L451-A505 HydrophobicContact CG-CB 4.48Å
452	R	98.8	Very high	93	Very high	1 Å²	1	39.5 Å²	39.5	0%	0.004	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	113	173.8	-62.5	178.5	-169.4	-80.3	-17.6	109.7	D313 W359 F436 V472 R473 E474	D313-R452 WeakPolarHBondContact OD1-CD 3.25Å; D313-R452 IonicContact OD1-CZ 2.74Å; D313-R452 IonicContact OD1-NE 3.92Å; D313-R452 IonicContact OD1-NH1 2.81Å; D313-R452 PolarHBondContact OD1-NH1 3.32Å; W359-R452 PolarHBondContact O-NH1 3.35Å; W359-R452 PolarHBondContact O-NH2 3.04Å; F436-R452 HydrophobicContact CD2-CG 4.25Å; R452-V472 CarbonylContact O-C 3.49Å; R452-V472 WeakPolarHBondContact O-CA 3.48Å; R452-R473 HydrophobicContact CB-CB 4.02Å; R452-R473 PolarHBondContact O-N 3.31Å; R452-E474 HydrophobicContact CB-CB 4.24Å; R452-E474 HydrophobicContact CG-CB 4.12Å; R452-E474 IonicContact CZ-OE2 3.79Å; R452-E474 PolarHBondContact N-O 2.99Å; R452-E474 IonicContact NE-OE2 3.11Å; R452-E474 PolarHBondContact NE-OE2 3.25Å; R452-E474 IonicContact NH2-OE2 3.56Å
453	L	98.8	Very high	93.1	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	137.2	177.4	179.2	69.5	0	0	0	108.6	E434 T435 L451 V472 A505 I508 I518	E434-L453 CarbonylContact C-O 3.34Å; E434-L453 WeakPolarHBondContact CA-O 3.48Å; T435-L453 PolarHBondContact N-O 2.97Å; T435-L453 PolarHBondContact O-N 2.92Å; L451-L453 HydrophobicContact CD2-CB 3.82Å; L453-V472 HydrophobicContact CD1-CG2 3.98Å; L453-A505 HydrophobicContact CD1-CB 4.42Å; L453-A505 HydrophobicContact CD2-CB 4.24Å; L453-I508 HydrophobicContact CD2-CB 4.03Å; L453-I508 HydrophobicContact CD2-CG2 3.83Å; L453-I518 HydrophobicContact CD1-CD1 4.15Å
454	R	98.4	Very high	93.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	136	175.6	-178.9	-175.6	177.9	76.5	1.7	110.3	K275 D276 A429 N430 W433 E434 C456 S470 I471 R473	K275-R454 WeakPolarHBondContact O-CD 3.46Å; D276-R454 IonicContact OD1-CZ 3.18Å; D276-R454 IonicContact OD1-NE 2.71Å; D276-R454 PolarHBondContact OD1-NE 3.19Å; D276-R454 IonicContact OD1-NH2 3.9Å; D276-R454 PolarHBondContact OD1-NH2 3.32Å; D276-R454 IonicContact OD2-NH2 3.35Å; A429-R454 PolarHBondContact O-NH1 3.3Å; N430-R454 PolarHBondContact O-NH2 2.74Å; W433-R454 WeakPolarHBondContact O-CA 3.41Å; E434-R454 VanDerWaalsContact OE1-CD 3.23Å; E434-R454 WeakPolarHBondContact OE1-CD 3.16Å; E434-R454 IonicContact OE1-CZ 3.75Å; E434-R454 IonicContact OE1-NE 2.7Å; E434-R454 IonicContact OE1-NH1 3.21Å; E434-R454 PolarHBondContact OE1-NH1 2.89Å; R454-C456 PolarHBondContact O-N 3.14Å; R454-S470 CarbonylContact O-C 3.54Å; R454-S470 WeakPolarHBondContact O-CA 3.26Å; R454-I471 HydrophobicContact CB-CG2 3.93Å; R454-I471 PolarHBondContact N-O 3.33Å; R454-I471 PolarHBondContact O-N 3.25Å; R454-R473 HydrophobicContact CB-CG 4.26Å
455	K	97.2	Very high	93.6	Very high	87 Å²	87	36.3 Å²	36.3	38%	0.378	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	117	163.7	-173.3	170.3	-177.3	-84.2	0	108.4	W433 S457 H513	W433-K455 HydrophobicContact CB-CB 4.24Å; W433-K455 HydrophobicContact CE3-CD 4.2Å; W433-K455 PolarHBondContact O-N 2.77Å; K455-S457 PolarHBondContact O-N 3.46Å; K455-H513 HydrophobicContact CD-CB 3.92Å; K455-H513 WeakPolarHBondContact CE-O 3.5Å; K455-H513 HydrophobicContact CG-CB 4.17Å
456	C	92.4	Very high	93.5	Very high	12 Å²	12	36.7 Å²	36.7	8%	0.081	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-63.2	138.4	179.5	-65.6	0	0	0	0	110.3	R454 V469 I471	R454-C456 PolarHBondContact O-N 3.14Å; C456-V469 VanDerWaalsContact CB-O 3.25Å; C456-V469 WeakPolarHBondContact CB-O 3.5Å; C456-V469 PolarHBondContact N-O 2.83Å; C456-I471 VanDerWaalsContact SG-CG2 3.53Å
457	S	88.1	Confident	93.2	Very high	22 Å²	22	40.7 Å²	40.7	15%	0.154	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-71	160.8	172.4	76.9	0	0	0	0	111	D276 K455 E459 T460	D276-S457 VanDerWaalsContact CG-OG 3.32Å; D276-S457 VanDerWaalsContact OD2-CB 3.32Å; D276-S457 WeakPolarHBondContact OD2-CB 3.41Å; D276-S457 PolarHBondContact OD2-OG 3.44Å; K455-S457 PolarHBondContact O-N 3.46Å; S457-E459 PolarHBondContact O-N 3.35Å; S457-E459 PolarHBondContact OG-N 2.98Å; S457-T460 WeakPolarHBondContact O-CG2 3.28Å; S457-T460 PolarHBondContact O-N 2.82Å; S457-T460 PolarHBondContact OG-N 3.09Å
458	E	86.7	Confident	93.1	Very high	204 Å²	204	42.8 Å²	42.8	95%	0.953	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-18.5	169.8	-62.5	-173	168.9	0	0	112.2	T460	E458-T460 PolarHBondContact O-N 3.26Å
459	E	86.1	Confident	93.3	Very high	144 Å²	144	42.9 Å²	42.9	67%	0.673	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-2	180	-57.5	-175.4	169.9	0	0	113	H272 S457 F461	H272-E459 IonicContact CE1-OE2 3Å; H272-E459 IonicContact NE2-OE2 2.97Å; H272-E459 PolarHBondContact NE2-OE2 3.17Å; S457-E459 PolarHBondContact O-N 3.35Å; S457-E459 PolarHBondContact OG-N 2.98Å; E459-F461 PolarHBondContact O-N 3.11Å
460	T	90.6	Very high	93.5	Very high	20 Å²	20	42.9 Å²	42.9	12%	0.123	24%	0.243	C	C	.	.			trans	-58.4	126.4	177.9	-169.2	0	0	0	0	111.1	D276 S457 E458 R462 L465	D276-T460 PolarHBondContact O-OG1 3.29Å; S457-T460 WeakPolarHBondContact O-CG2 3.28Å; S457-T460 PolarHBondContact O-N 2.82Å; S457-T460 PolarHBondContact OG-N 3.09Å; E458-T460 PolarHBondContact O-N 3.26Å; T460-R462 VanDerWaalsContact C-N 3.28Å; T460-R462 PolarHBondContact O-N 2.97Å; T460-L465 HydrophobicContact CG2-CB 4.17Å
461	F	93.1	Very high	93.6	Very high	51 Å²	51	42.9 Å²	42.9	22%	0.224	24%	0.243	C	C	.	.			trans	-84.8	-4.3	179.2	74.3	-87.1	0	0	0	112.9	K229 L232 L273 S277 E459	K229-F461 HydrophobicContact CB-CD1 4.41Å; K229-F461 HydrophobicContact CB-CD2 3.91Å; K229-F461 HydrophobicContact CB-CE1 4.38Å; K229-F461 HydrophobicContact CB-CE2 3.89Å; K229-F461 HydrophobicContact CB-CG 4.18Å; K229-F461 HydrophobicContact CB-CZ 4.14Å; K229-F461 HydrophobicContact CD-CB 3.79Å; K229-F461 HydrophobicContact CD-CD1 4.23Å; K229-F461 HydrophobicContact CD-CD2 4.23Å; K229-F461 HydrophobicContact CD-CG 3.82Å; K229-F461 HydrophobicContact CG-CB 4.3Å; K229-F461 HydrophobicContact CG-CD1 3.81Å; K229-F461 HydrophobicContact CG-CD2 4.04Å; K229-F461 HydrophobicContact CG-CE1 4.11Å; K229-F461 HydrophobicContact CG-CE2 4.33Å; K229-F461 HydrophobicContact CG-CG 3.77Å; K229-F461 HydrophobicContact CG-CZ 4.37Å; L232-F461 HydrophobicContact CB-CZ 3.99Å; L232-F461 HydrophobicContact CD1-CE1 4.03Å; L232-F461 HydrophobicContact CD1-CZ 4.21Å; L273-F461 HydrophobicContact CD2-CD1 4.13Å; L273-F461 HydrophobicContact CD2-CE1 4.44Å; S277-F461 VanDerWaalsContact OG-CE1 3.23Å; S277-F461 WeakPolarHBondContact OG-CE1 3.21Å; E459-F461 PolarHBondContact O-N 3.11Å
462	R	94.4	Very high	93.6	Very high	35 Å²	35	42.9 Å²	42.9	13%	0.132	24%	0.243	C	C	.	.			trans	-90.2	113.7	179.6	-68.4	-57	-52.6	-165.8	-1.2	109.6	S233 T460 E464 L465 G466	S233-R462 PolarHBondContact OG-NH1 3.42Å; T460-R462 VanDerWaalsContact C-N 3.28Å; T460-R462 PolarHBondContact O-N 2.97Å; R462-E464 IonicContact CZ-OE1 2.94Å; R462-E464 IonicContact CZ-OE2 2.74Å; R462-E464 IonicContact NE-OE2 3.44Å; R462-E464 PolarHBondContact NE-OE2 3.33Å; R462-E464 VanDerWaalsContact NH2-CD 3.3Å; R462-E464 IonicContact NH2-OE1 3.82Å; R462-E464 PolarHBondContact NH2-OE1 2.88Å; R462-E464 IonicContact NH2-OE2 3.02Å; R462-E464 PolarHBondContact NH2-OE2 3.05Å; R462-E464 PolarHBondContact O-N 3.47Å; R462-E464 VanDerWaalsContact O-N 3.14Å; R462-L465 HydrophobicContact CB-CB 4.23Å; R462-L465 HydrophobicContact CB-CD1 4.14Å; R462-L465 HydrophobicContact CB-CG 4.07Å; R462-L465 PolarHBondContact O-N 3.3Å; R462-G466 PolarHBondContact O-N 3.21Å
463	F	92.6	Very high	93.6	Very high	156 Å²	156	43.2 Å²	43.2	68%	0.684	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-58.6	-29.6	180	77.1	-88.2	0	0	0	112.7	L465 G466	F463-L465 PolarHBondContact O-N 3.39Å; F463-G466 PolarHBondContact O-N 2.77Å
464	E	95	Very high	93.5	Very high	4 Å²	4	44.6 Å²	44.6	2%	0.019	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-66.7	-23.8	176.7	-55.2	94.3	151.5	0	0	112.8	R462 K517 Q538 P540 Y541	R462-E464 IonicContact CZ-OE1 2.94Å; R462-E464 IonicContact CZ-OE2 2.74Å; R462-E464 IonicContact NE-OE2 3.44Å; R462-E464 PolarHBondContact NE-OE2 3.33Å; R462-E464 VanDerWaalsContact NH2-CD 3.3Å; R462-E464 IonicContact NH2-OE1 3.82Å; R462-E464 PolarHBondContact NH2-OE1 2.88Å; R462-E464 IonicContact NH2-OE2 3.02Å; R462-E464 PolarHBondContact NH2-OE2 3.05Å; R462-E464 PolarHBondContact O-N 3.47Å; R462-E464 VanDerWaalsContact O-N 3.14Å; E464-K517 VanDerWaalsContact O-CE 3.23Å; E464-K517 WeakPolarHBondContact O-CE 3.47Å; E464-K517 PolarHBondContact O-NZ 3.38Å; E464-Q538 HydrophobicContact CG-CG 4.19Å; E464-P540 WeakPolarHBondContact OE1-CD 3.5Å; E464-Y541 HydrophobicContact CB-CD2 3.95Å; E464-Y541 HydrophobicContact CB-CE2 4.23Å; E464-Y541 HydrophobicContact CG-CD2 4.35Å
465	L	95.1	Very high	93.5	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-104.8	1	-176.4	-55.5	-176.1	0	0	0	112.9	D276 T460 R462 F463 V469 I471 A519 Y541	D276-L465 VanDerWaalsContact O-CD1 3.27Å; D276-L465 WeakPolarHBondContact O-CD1 3.16Å; T460-L465 HydrophobicContact CG2-CB 4.17Å; R462-L465 HydrophobicContact CB-CB 4.23Å; R462-L465 HydrophobicContact CB-CD1 4.14Å; R462-L465 HydrophobicContact CB-CG 4.07Å; R462-L465 PolarHBondContact O-N 3.3Å; F463-L465 PolarHBondContact O-N 3.39Å; L465-V469 HydrophobicContact CD2-CG1 4.17Å; L465-V469 WeakPolarHBondContact O-CB 3.17Å; L465-V469 WeakPolarHBondContact O-CG2 3.37Å; L465-I471 HydrophobicContact CD1-CD1 3.71Å; L465-I471 HydrophobicContact CD2-CD1 3.94Å; L465-A519 HydrophobicContact CD2-CB 3.5Å; L465-Y541 HydrophobicContact CD1-CE1 4.23Å; L465-Y541 HydrophobicContact CD1-CE2 4.09Å; L465-Y541 HydrophobicContact CD2-CD2 4.2Å; L465-Y541 HydrophobicContact CD2-CE2 4.14Å; L465-Y541 HydrophobicContact CD2-CG 4.43Å; L465-Y541 HydrophobicContact CG-CD2 4.5Å; L465-Y541 HydrophobicContact CG-CE2 3.98Å
466	G	89.8	Confident	93.3	Very high	33 Å²	33	43.5 Å²	43.5	34%	0.34	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	156.6	174.8	0	0	0	0	0	113.1	R462 F463 V469	R462-G466 PolarHBondContact O-N 3.21Å; F463-G466 PolarHBondContact O-N 2.77Å; G466-V469 VanDerWaalsContact O-CG2 3.28Å; G466-V469 WeakPolarHBondContact O-CG2 3.25Å
467	G	85	Confident	93.1	Very high	85 Å²	85	43.9 Å²	43.9	88%	0.876	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.1	49.5	170.6	0	0	0	0	0	115.1
468	G	91.2	Very high	92.9	Very high	44 Å²	44	43 Å²	43	45%	0.454	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.5	60.3	175.1	0	0	0	0	0	112.8	S515 G516	G468-S515 CarbonylContact O-C 3.53Å; G468-S515 WeakPolarHBondContact O-CA 3.37Å; G468-S515 VanDerWaalsContact O-CB 3.25Å; G468-S515 WeakPolarHBondContact O-CB 3.43Å; G468-G516 PolarHBondContact O-N 3.42Å; G468-G516 VanDerWaalsContact O-N 3.09Å
469	V	96.6	Very high	91.8	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.012	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	142.2	-179.6	-174.8	0	0	0	0	109.9	C456 L465 G466 K517 A519	C456-V469 VanDerWaalsContact CB-O 3.25Å; C456-V469 WeakPolarHBondContact CB-O 3.5Å; C456-V469 PolarHBondContact N-O 2.83Å; L465-V469 HydrophobicContact CD2-CG1 4.17Å; L465-V469 WeakPolarHBondContact O-CB 3.17Å; L465-V469 WeakPolarHBondContact O-CG2 3.37Å; G466-V469 VanDerWaalsContact O-CG2 3.28Å; G466-V469 WeakPolarHBondContact O-CG2 3.25Å; V469-K517 WeakPolarHBondContact CA-O 3.36Å; V469-K517 HydrophobicContact CG2-CB 4.25Å; V469-A519 HydrophobicContact CG1-CB 4.16Å
470	S	98.1	Very high	89.9	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	146.1	165.2	-64.9	0	0	0	0	110.4	R454 H513 S515 K517 I518 A519	R454-S470 CarbonylContact O-C 3.54Å; R454-S470 WeakPolarHBondContact O-CA 3.26Å; S470-H513 PolarHBondContact OG-ND1 3.21Å; S470-S515 PolarHBondContact N-OG 3.31Å; S470-S515 PolarHBondContact OG-OG 2.66Å; S470-K517 PolarHBondContact N-O 3.37Å; S470-K517 VanDerWaalsContact N-O 3.1Å; S470-I518 CarbonylContact O-C 3.52Å; S470-I518 VanDerWaalsContact O-CA 3.27Å; S470-I518 WeakPolarHBondContact O-CA 3.22Å; S470-A519 PolarHBondContact O-N 3.3Å
471	I	98.5	Very high	87.7	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	127.3	-178	-173.1	158.2	0	0	0	111.8	G278 R454 C456 L465 R473 A519 Y541	G278-I471 VanDerWaalsContact CA-CD1 3.41Å; R454-I471 HydrophobicContact CB-CG2 3.93Å; R454-I471 PolarHBondContact N-O 3.33Å; R454-I471 PolarHBondContact O-N 3.25Å; C456-I471 VanDerWaalsContact SG-CG2 3.53Å; L465-I471 HydrophobicContact CD1-CD1 3.71Å; L465-I471 HydrophobicContact CD2-CD1 3.94Å; I471-R473 HydrophobicContact CG2-CG 4.17Å; I471-A519 CarbonylContact C-O 3.52Å; I471-A519 WeakPolarHBondContact CA-O 3.02Å; I471-A519 HydrophobicContact CB-CB 4.5Å; I471-A519 HydrophobicContact CD1-CB 4.41Å; I471-A519 HydrophobicContact CG1-CB 4.29Å; I471-Y541 HydrophobicContact CD1-CD1 4.05Å; I471-Y541 HydrophobicContact CD1-CE1 3.78Å
472	V	98.8	Very high	85	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	113.5	165.9	-180	0	0	0	0	108.1	L451 R452 L453 M502 A505 I518 A519 V520 I521	L451-V472 HydrophobicContact CD1-CG1 4.12Å; L451-V472 HydrophobicContact CD2-CG1 4Å; L451-V472 HydrophobicContact CD2-CG2 4.26Å; L451-V472 HydrophobicContact CG-CG1 3.82Å; R452-V472 CarbonylContact O-C 3.49Å; R452-V472 WeakPolarHBondContact O-CA 3.48Å; L453-V472 HydrophobicContact CD1-CG2 3.98Å; V472-M502 HydrophobicContact CG1-SD 4.31Å; V472-M502 HydrophobicContact CG2-CE 4.18Å; V472-M502 HydrophobicContact CG2-SD 4.34Å; V472-A505 HydrophobicContact CG2-CB 4.42Å; V472-I518 HydrophobicContact CG2-CD1 3.86Å; V472-I518 HydrophobicContact CG2-CG1 4.22Å; V472-A519 PolarHBondContact N-O 2.92Å; V472-V520 HydrophobicContact CB-CB 4.4Å; V472-V520 HydrophobicContact CB-CG1 4.13Å; V472-V520 HydrophobicContact CB-CG2 4.06Å; V472-V520 HydrophobicContact CG1-CG1 4.25Å; V472-V520 HydrophobicContact CG2-CG2 4.38Å; V472-V520 WeakPolarHBondContact O-CA 3.45Å; V472-I521 PolarHBondContact O-N 3.38Å
473	R	98.6	Very high	82.2	Confident	7 Å²	7	28.5 Å²	28.5	3%	0.026	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	-27.8	-175.5	-59.4	177.9	55	-126.1	-8.5	112.4	G278 F279 D313 E434 R452 R454 I471 I521	G278-R473 WeakPolarHBondContact O-CA 3.16Å; G278-R473 VanDerWaalsContact O-CB 3.23Å; G278-R473 WeakPolarHBondContact O-CB 3.38Å; G278-R473 WeakPolarHBondContact O-CG 3.45Å; F279-R473 PolarHBondContact O-NE 3.28Å; F279-R473 PolarHBondContact O-NH2 2.89Å; D313-R473 IonicContact OD1-CZ 3.72Å; D313-R473 IonicContact OD1-NH1 2.82Å; D313-R473 PolarHBondContact OD1-NH1 3.43Å; D313-R473 VanDerWaalsContact OD1-NH1 3.08Å; D313-R473 IonicContact OD1-NH2 3.9Å; D313-R473 IonicContact OD2-CZ 3.19Å; D313-R473 IonicContact OD2-NH1 3.68Å; D313-R473 IonicContact OD2-NH2 4Å; D313-R473 PolarHBondContact OD2-NH2 3.49Å; E434-R473 IonicContact OE1-CZ 3.2Å; E434-R473 IonicContact OE1-NE 2.66Å; E434-R473 IonicContact OE1-NH1 3.3Å; E434-R473 PolarHBondContact OE1-NH1 2.95Å; E434-R473 IonicContact OE2-CZ 3.17Å; E434-R473 IonicContact OE2-NH1 2.77Å; E434-R473 PolarHBondContact OE2-NH1 3.49Å; R452-R473 HydrophobicContact CB-CB 4.02Å; R452-R473 PolarHBondContact O-N 3.31Å; R454-R473 HydrophobicContact CB-CG 4.26Å; I471-R473 HydrophobicContact CG2-CG 4.17Å; R473-I521 VanDerWaalsContact O-CG2 3.28Å; R473-I521 WeakPolarHBondContact O-CG2 3.49Å
474	E	98	Very high	79.6	Confident	29 Å²	29	27 Å²	27	14%	0.136	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	138.5	177	-179.3	172.1	-147.2	0	0	109.3	K280 L450 L451 R452 H476	K280-E474 WeakPolarHBondContact CD-OE2 3.4Å; K280-E474 VanDerWaalsContact CE-OE2 3.27Å; K280-E474 WeakPolarHBondContact CE-OE2 3.47Å; K280-E474 IonicContact NZ-OE1 2.7Å; K280-E474 PolarHBondContact NZ-OE1 3.06Å; K280-E474 IonicContact NZ-OE2 3.25Å; K280-E474 PolarHBondContact NZ-OE2 3.16Å; L450-E474 HydrophobicContact CD1-CG 3.93Å; L451-E474 CarbonylContact C-O 3.57Å; L451-E474 VanDerWaalsContact CA-O 3.24Å; L451-E474 WeakPolarHBondContact CA-O 3.1Å; R452-E474 HydrophobicContact CB-CB 4.24Å; R452-E474 HydrophobicContact CG-CB 4.12Å; R452-E474 IonicContact CZ-OE2 3.79Å; R452-E474 PolarHBondContact N-O 2.99Å; R452-E474 IonicContact NE-OE2 3.11Å; R452-E474 PolarHBondContact NE-OE2 3.25Å; R452-E474 IonicContact NH2-OE2 3.56Å; E474-H476 HydrophobicContact CG-CB 4.31Å
475	L	96.8	Very high	76.6	Confident	32 Å²	32	32.3 Å²	32.3	17%	0.168	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	122.9	160.5	169.3	65.5	0	0	0	107	L451 V477 L501 M502 Y529 Y530	L451-L475 HydrophobicContact CB-CD1 4.25Å; L451-L475 HydrophobicContact CD1-CD1 4.22Å; L475-V477 HydrophobicContact CD1-CG2 4.44Å; L475-L501 HydrophobicContact CD1-CB 4.08Å; L475-L501 HydrophobicContact CD1-CD1 3.87Å; L475-M502 HydrophobicContact CD2-CG 3.89Å; L475-M502 HydrophobicContact CD2-SD 4.03Å; L475-Y529 HydrophobicContact CD2-CE1 3.73Å; L475-Y530 HydrophobicContact CD2-CE1 4.38Å
476	H	93.4	Very high	74	Confident	33 Å²	33	34.5 Å²	34.5	15%	0.153	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	119.4	-179.5	-158.7	103.4	0	0	0	110.7	I87 G449 L450 E474 Y478	I87-H476 VanDerWaalsContact CD1-CE1 3.45Å; I87-H476 WeakPolarHBondContact CD1-CE1 3.46Å; G449-H476 CarbonylContact C-O 3.55Å; G449-H476 VanDerWaalsContact CA-O 3.23Å; G449-H476 WeakPolarHBondContact CA-O 3.48Å; L450-H476 HydrophobicContact CD1-CB 4.06Å; L450-H476 HydrophobicContact CG-CB 4.05Å; L450-H476 PolarHBondContact N-O 3.04Å; L450-H476 PolarHBondContact O-N 3.36Å; E474-H476 HydrophobicContact CG-CB 4.31Å; H476-Y478 AromaticContact CD2-CD1 3.59Å; H476-Y478 AromaticContact CD2-CE1 3.34Å; H476-Y478 WeakPolarHBondContact CD2-CE1 3.43Å; H476-Y478 AromaticContact CD2-CZ 3.62Å; H476-Y478 AromaticContact NE2-CD1 3.57Å; H476-Y478 AromaticContact NE2-CE1 3.32Å; H476-Y478 VanDerWaalsContact NE2-CE1 3.32Å; H476-Y478 WeakPolarHBondContact NE2-CE1 3.49Å
477	V	89.1	Confident	71.6	Confident	20 Å²	20	44 Å²	44	12%	0.121	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	115.6	174.5	-178.1	0	0	0	0	108.2	L475 Q493 F497	L475-V477 HydrophobicContact CD1-CG2 4.44Å; V477-Q493 HydrophobicContact CG1-CG 4.5Å; V477-Q493 PolarHBondContact O-NE2 2.93Å; V477-F497 HydrophobicContact CG1-CB 4.33Å
478	Y	82.8	Confident	69.6	Low	3 Å²	3	42.4 Å²	42.4	1%	0.012	24%	0.243	C	C	.	.			trans	-74	138.9	176.9	-60.4	-73.4	0	0	0	109.7	R361 V401 E405 L447 I448 L450 H476	R361-Y478 PolarHBondContact NH1-OH 2.75Å; V401-Y478 WeakPolarHBondContact CG1-OH 3.41Å; E405-Y478 HydrophobicContact CB-CD1 4.06Å; E405-Y478 HydrophobicContact CB-CD2 4.09Å; E405-Y478 HydrophobicContact CB-CE1 3.98Å; E405-Y478 HydrophobicContact CB-CE2 4.03Å; E405-Y478 HydrophobicContact CB-CG 4.12Å; L447-Y478 HydrophobicContact CD2-CE2 3.89Å; L447-Y478 HydrophobicContact CG-CD2 4.43Å; L447-Y478 HydrophobicContact CG-CE2 4.07Å; I448-Y478 WeakPolarHBondContact O-CB 3.5Å; I448-Y478 WeakPolarHBondContact O-CD2 3.33Å; I448-Y478 PolarHBondContact O-N 3.37Å; L450-Y478 HydrophobicContact CD2-CE2 4.12Å; H476-Y478 AromaticContact CD2-CD1 3.59Å; H476-Y478 AromaticContact CD2-CE1 3.34Å; H476-Y478 WeakPolarHBondContact CD2-CE1 3.43Å; H476-Y478 AromaticContact CD2-CZ 3.62Å; H476-Y478 AromaticContact NE2-CD1 3.57Å; H476-Y478 AromaticContact NE2-CE1 3.32Å; H476-Y478 VanDerWaalsContact NE2-CE1 3.32Å; H476-Y478 WeakPolarHBondContact NE2-CE1 3.49Å
479	G	63.6	Low	67.1	Low	3 Å²	3	45.8 Å²	45.8	3%	0.031	26%	0.257	C	S	.	.			trans	-171.3	157.5	173.5	0	0	0	0	0	110.9	V481	G479-V481 PolarHBondContact O-N 3.2Å
480	S	47.5	Very low	64.6	Low	42 Å²	42	50.8 Å²	50.8	29%	0.294	29%	0.288	S	S	.	.			trans	-63.9	136	175.4	49.5	0	0	0	0	109.8	V482 K491	S480-V482 WeakPolarHBondContact O-CG2 3.37Å; S480-V482 PolarHBondContact O-N 2.85Å; S480-V482 VanDerWaalsContact O-N 3.1Å; S480-K491 WeakPolarHBondContact OG-CD 3.25Å; S480-K491 WeakPolarHBondContact OG-CE 3.21Å; S480-K491 VanDerWaalsContact OG-CG 3.24Å; S480-K491 WeakPolarHBondContact OG-CG 3.34Å
481	V	43.4	Very low	62.4	Low	35 Å²	35	53.2 Å²	53.2	21%	0.212	30%	0.299	C	S	.	.			trans	-49.2	117.8	-176	-169	0	0	0	0	110.6	T83 G479 K491	T83-V481 WeakPolarHBondContact O-CG2 3.29Å; G479-V481 PolarHBondContact O-N 3.2Å; V481-K491 PolarHBondContact O-NZ 2.98Å
482	V	36.1	Very low	60.1	Low	13 Å²	13	54.7 Å²	54.7	8%	0.079	31%	0.305	C	S	.	.			trans	-124.3	127.8	166	-161.5	0	0	0	0	107.8	S480 V484 S486 K491	S480-V482 WeakPolarHBondContact O-CG2 3.37Å; S480-V482 PolarHBondContact O-N 2.85Å; S480-V482 VanDerWaalsContact O-N 3.1Å; V482-V484 PolarHBondContact O-N 3.19Å; V482-S486 WeakPolarHBondContact CG1-O 3.32Å; V482-S486 WeakPolarHBondContact CG1-OG 3.48Å; V482-K491 HydrophobicContact CG2-CB 4.14Å; V482-K491 HydrophobicContact CG2-CD 3.13Å; V482-K491 HydrophobicContact CG2-CG 4.26Å
483	P	35.9	Very low	57.7	Low	57 Å²	57	57.2 Å²	57.2	37%	0.37	32%	0.317	S	S	.	.			trans	-49.7	140.2	167	-24.8	32.3	0	0	0	110.1	S485 S486	P483-S485 PolarHBondContact O-N 2.97Å; P483-S486 WeakPolarHBondContact CD-OG 3.44Å; P483-S486 PolarHBondContact O-N 3.47Å; P483-S486 PolarHBondContact O-OG 3.27Å
484	V	38.4	Very low	55.5	Low	124 Å²	124	60.9 Å²	60.9	75%	0.752	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-22.2	-178.8	178.6	0	0	0	0	112.8	V482	V482-V484 PolarHBondContact O-N 3.19Å
485	S	32.6	Very low	53.6	Low	115 Å²	115	64.1 Å²	64.1	80%	0.804	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-11.8	-179.2	52.3	0	0	0	0	115.9	P483	P483-S485 PolarHBondContact O-N 2.97Å
486	S	40.4	Very low	52.9	Low	48 Å²	48	64 Å²	64	34%	0.336	36%	0.356	S	S	.	.			trans	-111.4	120.2	179.4	40.6	0	0	0	0	110.3	V482 P483	V482-S486 WeakPolarHBondContact CG1-O 3.32Å; V482-S486 WeakPolarHBondContact CG1-OG 3.48Å; P483-S486 WeakPolarHBondContact CD-OG 3.44Å; P483-S486 PolarHBondContact O-N 3.47Å; P483-S486 PolarHBondContact O-OG 3.27Å
487	R	39.5	Very low	52.7	Low	232 Å²	232	63.3 Å²	63.3	88%	0.875	35%	0.353	S	S	*	.			trans	-89.9	106.7	169.3	-69.8	-179.3	178.2	-179.5	-1.1	107.4
488	D	43.2	Very low	52.8	Low	52 Å²	52	62.8 Å²	62.8	28%	0.278	35%	0.351	S	S	.	.			trans	-105.4	108.9	169.6	-172.8	-14.5	0	0	0	108	T490 K491	D488-T490 VanDerWaalsContact CG-OG1 3.29Å; D488-T490 PolarHBondContact O-N 3.01Å; D488-T490 VanDerWaalsContact O-N 3.17Å; D488-T490 PolarHBondContact OD1-N 2.89Å; D488-T490 VanDerWaalsContact OD1-N 3.12Å; D488-T490 PolarHBondContact OD1-OG1 2.86Å; D488-T490 PolarHBondContact OD2-OG1 3.03Å; D488-K491 HydrophobicContact CB-CD 4.08Å; D488-K491 HydrophobicContact CB-CG 4.29Å; D488-K491 PolarHBondContact O-N 3.33Å
489	P	38.1	Very low	53.3	Low	114 Å²	114	66.9 Å²	66.9	74%	0.74	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-11.2	-176.6	25.5	-31.7	0	0	0	113.5	K491	P489-K491 VanDerWaalsContact C-N 3.31Å
490	T	43.9	Very low	54.8	Low	107 Å²	107	69.9 Å²	69.9	66%	0.656	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-1.9	177.7	66	0	0	0	0	113.8	D488	D488-T490 VanDerWaalsContact CG-OG1 3.29Å; D488-T490 PolarHBondContact O-N 3.01Å; D488-T490 VanDerWaalsContact O-N 3.17Å; D488-T490 PolarHBondContact OD1-N 2.89Å; D488-T490 VanDerWaalsContact OD1-N 3.12Å; D488-T490 PolarHBondContact OD1-OG1 2.86Å; D488-T490 PolarHBondContact OD2-OG1 3.03Å
491	K	51.7	Low	57.1	Low	52 Å²	52	67.9 Å²	67.9	23%	0.226	37%	0.372	C	S	.	.	S	Bend	trans	-114.4	127.1	-173.3	-64.8	-177	170.1	179.5	0	112.6	S480 V481 V482 D488 P489 Q493 H494	S480-K491 WeakPolarHBondContact OG-CD 3.25Å; S480-K491 WeakPolarHBondContact OG-CE 3.21Å; S480-K491 VanDerWaalsContact OG-CG 3.24Å; S480-K491 WeakPolarHBondContact OG-CG 3.34Å; V481-K491 PolarHBondContact O-NZ 2.98Å; V482-K491 HydrophobicContact CG2-CB 4.14Å; V482-K491 HydrophobicContact CG2-CD 3.13Å; V482-K491 HydrophobicContact CG2-CG 4.26Å; D488-K491 HydrophobicContact CB-CD 4.08Å; D488-K491 HydrophobicContact CB-CG 4.29Å; D488-K491 PolarHBondContact O-N 3.33Å; P489-K491 VanDerWaalsContact C-N 3.31Å; K491-Q493 VanDerWaalsContact C-N 3.28Å; K491-Q493 PolarHBondContact O-N 3.09Å; K491-Q493 VanDerWaalsContact O-N 3.08Å; K491-H494 PolarHBondContact O-N 3.28Å; K491-H494 VanDerWaalsContact O-N 3.13Å
492	F	50	Low	59.7	Low	30 Å²	30	66.3 Å²	66.3	13%	0.132	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-54.6	-29.7	-170.3	-63.3	-77.8	0	0	0	116.1	V406 P417 I448 H494 Q495 F497	V406-F492 HydrophobicContact CG2-CD2 4.39Å; V406-F492 HydrophobicContact CG2-CE2 4.21Å; P417-F492 HydrophobicContact CG-CE1 3.75Å; P417-F492 HydrophobicContact CG-CZ 3.68Å; I448-F492 HydrophobicContact CG2-CB 4.37Å; F492-H494 PolarHBondContact O-N 2.92Å; F492-Q495 PolarHBondContact O-N 3.41Å; F492-Q495 VanDerWaalsContact O-N 3.16Å; F492-F497 HydrophobicContact CD1-CE2 4.49Å
493	Q	48.7	Very low	62.7	Low	53 Å²	53	71.3 Å²	71.3	25%	0.248	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-64.9	-12.2	-179.7	-162.1	164	61.5	0	0	113.4	V477 K491	V477-Q493 HydrophobicContact CG1-CG 4.5Å; V477-Q493 PolarHBondContact O-NE2 2.93Å; K491-Q493 VanDerWaalsContact C-N 3.28Å; K491-Q493 PolarHBondContact O-N 3.09Å; K491-Q493 VanDerWaalsContact O-N 3.08Å
494	H	52.2	Low	65.6	Low	84 Å²	84	70.6 Å²	70.6	39%	0.389	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-106.3	5.8	178.5	-63.9	-57.7	0	0	0	114.8	K491 F492 G496	K491-H494 PolarHBondContact O-N 3.28Å; K491-H494 VanDerWaalsContact O-N 3.13Å; F492-H494 PolarHBondContact O-N 2.92Å; H494-G496 VanDerWaalsContact C-N 3.27Å; H494-G496 PolarHBondContact O-N 3.06Å
495	Q	58.5	Low	68.5	Low	97 Å²	97	64.7 Å²	64.7	45%	0.453	34%	0.341	S	S	.	.	S	Bend	trans	-84.8	9.1	179	-69.5	-175.5	-13.9	0	0	114.2	F492 F497	F492-Q495 PolarHBondContact O-N 3.41Å; F492-Q495 VanDerWaalsContact O-N 3.16Å; Q495-F497 VanDerWaalsContact C-N 3.3Å; Q495-F497 HydrophobicContact CB-CD2 3.92Å; Q495-F497 HydrophobicContact CB-CE2 3.64Å; Q495-F497 HydrophobicContact CB-CZ 4.29Å; Q495-F497 HydrophobicContact CG-CE2 4.43Å; Q495-F497 PolarHBondContact O-N 2.92Å
496	G	81.8	Confident	71.6	Confident	31 Å²	31	60.8 Å²	60.8	32%	0.32	31%	0.31	S	S	.	.	S	Bend	trans	80.9	-0.5	174.4	0	0	0	0	0	115.6	H494 G498 M499 L500	H494-G496 VanDerWaalsContact C-N 3.27Å; H494-G496 PolarHBondContact O-N 3.06Å; G496-G498 PolarHBondContact O-N 3.1Å; G496-M499 WeakPolarHBondContact O-CA 3.48Å; G496-M499 WeakPolarHBondContact O-CB 3.3Å; G496-M499 PolarHBondContact O-N 2.84Å; G496-L500 PolarHBondContact O-N 3.4Å
497	F	88.9	Confident	74.4	Confident	18 Å²	18	61.9 Å²	61.9	8%	0.079	31%	0.307	C	S	.	.	H	α-helix	trans	-50	-35.5	179.3	-66.3	-61.3	0	0	0	114.4	V420 Y439 I448 V477 F492 Q495 L500 L501	V420-F497 HydrophobicContact CG1-CE1 3.79Å; V420-F497 HydrophobicContact CG1-CZ 3.99Å; Y439-F497 AromaticContact CD1-CD1 3.94Å; Y439-F497 HydrophobicContact CD1-CD1 3.94Å; Y439-F497 AromaticContact CD1-CE1 3.97Å; Y439-F497 HydrophobicContact CD1-CE1 3.97Å; Y439-F497 HydrophobicContact CD2-CB 4.16Å; Y439-F497 AromaticContact CD2-CD1 3.56Å; Y439-F497 HydrophobicContact CD2-CD1 3.56Å; Y439-F497 HydrophobicContact CD2-CE1 4.4Å; Y439-F497 HydrophobicContact CD2-CG 4.25Å; Y439-F497 HydrophobicContact CE1-CD1 4.25Å; Y439-F497 HydrophobicContact CE1-CE1 4.35Å; Y439-F497 AromaticContact CE2-CD1 3.93Å; Y439-F497 HydrophobicContact CE2-CD1 3.93Å; Y439-F497 AromaticContact CG-CD1 3.56Å; Y439-F497 HydrophobicContact CG-CD1 3.56Å; Y439-F497 AromaticContact CG-CE1 3.98Å; Y439-F497 HydrophobicContact CG-CE1 3.98Å; Y439-F497 HydrophobicContact CG-CG 4.44Å; I448-F497 HydrophobicContact CG2-CD2 3.82Å; I448-F497 HydrophobicContact CG2-CE2 3.76Å; I448-F497 HydrophobicContact CG2-CZ 4.42Å; V477-F497 HydrophobicContact CG1-CB 4.33Å; F492-F497 HydrophobicContact CD1-CE2 4.49Å; Q495-F497 VanDerWaalsContact C-N 3.3Å; Q495-F497 HydrophobicContact CB-CD2 3.92Å; Q495-F497 HydrophobicContact CB-CE2 3.64Å; Q495-F497 HydrophobicContact CB-CZ 4.29Å; Q495-F497 HydrophobicContact CG-CE2 4.43Å; Q495-F497 PolarHBondContact O-N 2.92Å; F497-L500 HydrophobicContact CD1-CD1 4.43Å; F497-L500 PolarHBondContact O-N 3.35Å; F497-L501 WeakPolarHBondContact O-CB 3.33Å; F497-L501 VanDerWaalsContact O-CG 3.28Å; F497-L501 WeakPolarHBondContact O-CG 3.41Å; F497-L501 PolarHBondContact O-N 3.31Å
498	G	91.9	Very high	77.2	Confident	8 Å²	8	50.8 Å²	50.8	8%	0.082	27%	0.265	C	S	.	.	H	α-helix	trans	-65	-38	176.8	0	0	0	0	0	113.3	G496 M502 Y529	G496-G498 PolarHBondContact O-N 3.1Å; G498-M502 VanDerWaalsContact O-CG 3.26Å; G498-M502 WeakPolarHBondContact O-CG 3.4Å; G498-M502 PolarHBondContact O-N 2.56Å; G498-Y529 VanDerWaalsContact C-OH 3.29Å
499	M	92.5	Very high	79.8	Confident	89 Å²	89	48.3 Å²	48.3	44%	0.438	25%	0.252	S	S	.	.	H	α-helix	trans	-71	-44.6	175.2	-70	174.5	169.9	0	0	110.7	G496 L501 M502 E503 I533	G496-M499 WeakPolarHBondContact O-CA 3.48Å; G496-M499 WeakPolarHBondContact O-CB 3.3Å; G496-M499 PolarHBondContact O-N 2.84Å; M499-L501 VanDerWaalsContact C-N 3.33Å; M499-L501 PolarHBondContact O-N 3.21Å; M499-M502 WeakPolarHBondContact O-CB 3.14Å; M499-M502 PolarHBondContact O-N 3.24Å; M499-M502 VanDerWaalsContact O-N 3.07Å; M499-E503 WeakPolarHBondContact O-CG 3.38Å; M499-E503 PolarHBondContact O-N 2.76Å; M499-I533 HydrophobicContact CE-CG2 3.94Å; M499-I533 HydrophobicContact CG-CG2 4.36Å
500	L	94.9	Very high	82.7	Confident	67 Å²	67	48.3 Å²	48.3	35%	0.351	24%	0.237	S	C	.	.	H	α-helix	trans	-59.6	-41.5	177.9	-64	173	0	0	0	112.4	Y439 G496 F497 E503 E504	Y439-L500 HydrophobicContact CE2-CB 3.8Å; Y439-L500 HydrophobicContact CE2-CD1 4.38Å; Y439-L500 WeakPolarHBondContact OH-CB 3.27Å; G496-L500 PolarHBondContact O-N 3.4Å; F497-L500 HydrophobicContact CD1-CD1 4.43Å; F497-L500 PolarHBondContact O-N 3.35Å; L500-E503 PolarHBondContact O-N 2.87Å; L500-E504 PolarHBondContact O-N 2.72Å; L500-E504 VanDerWaalsContact O-N 3.07Å
501	L	97.5	Very high	85.2	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-63	-41.7	174.3	-75	167.8	0	0	0	111.7	L422 L437 Y439 L451 L475 F497 M499 A505	L422-L501 HydrophobicContact CD1-CD2 4.07Å; L437-L501 HydrophobicContact CB-CD2 3.82Å; Y439-L501 HydrophobicContact CD2-CD1 4.34Å; Y439-L501 HydrophobicContact CD2-CD2 3.9Å; Y439-L501 HydrophobicContact CD2-CG 3.83Å; Y439-L501 HydrophobicContact CE2-CD2 4.11Å; Y439-L501 HydrophobicContact CE2-CG 3.97Å; L451-L501 HydrophobicContact CB-CB 4.09Å; L451-L501 HydrophobicContact CB-CD1 4.38Å; L451-L501 HydrophobicContact CB-CD2 4.31Å; L451-L501 HydrophobicContact CB-CG 4.5Å; L451-L501 HydrophobicContact CD1-CB 3.92Å; L451-L501 WeakPolarHBondContact CD1-O 3.43Å; L475-L501 HydrophobicContact CD1-CB 4.08Å; L475-L501 HydrophobicContact CD1-CD1 3.87Å; F497-L501 WeakPolarHBondContact O-CB 3.33Å; F497-L501 VanDerWaalsContact O-CG 3.28Å; F497-L501 WeakPolarHBondContact O-CG 3.41Å; F497-L501 PolarHBondContact O-N 3.31Å; M499-L501 VanDerWaalsContact C-N 3.33Å; M499-L501 PolarHBondContact O-N 3.21Å; L501-A505 WeakPolarHBondContact O-CB 3.17Å; L501-A505 PolarHBondContact O-N 3.38Å
502	M	98	Very high	87.4	Confident	2 Å²	2	49.4 Å²	49.4	1%	0.01	24%	0.235	C	C	.	.	H	α-helix	trans	-66.7	-40.2	177.7	-71.9	-62.5	-52.7	0	0	112	L451 V472 L475 G498 M499 A505 E506 V520 Y530 I533 Y535	L451-M502 HydrophobicContact CD1-CG 4.36Å; L451-M502 HydrophobicContact CD1-SD 3.65Å; V472-M502 HydrophobicContact CG1-SD 4.31Å; V472-M502 HydrophobicContact CG2-CE 4.18Å; V472-M502 HydrophobicContact CG2-SD 4.34Å; L475-M502 HydrophobicContact CD2-CG 3.89Å; L475-M502 HydrophobicContact CD2-SD 4.03Å; G498-M502 VanDerWaalsContact O-CG 3.26Å; G498-M502 WeakPolarHBondContact O-CG 3.4Å; G498-M502 PolarHBondContact O-N 2.56Å; M499-M502 WeakPolarHBondContact O-CB 3.14Å; M499-M502 PolarHBondContact O-N 3.24Å; M499-M502 VanDerWaalsContact O-N 3.07Å; M502-A505 PolarHBondContact O-N 2.99Å; M502-E506 WeakPolarHBondContact O-CB 3.39Å; M502-E506 VanDerWaalsContact O-CG 3.31Å; M502-E506 WeakPolarHBondContact O-CG 3.25Å; M502-E506 PolarHBondContact O-N 3.38Å; M502-V520 HydrophobicContact CE-CG2 4.11Å; M502-Y530 HydrophobicContact CE-CE1 4.35Å; M502-Y530 HydrophobicContact SD-CE1 4.17Å; M502-I533 HydrophobicContact CB-CD1 4.35Å; M502-I533 HydrophobicContact CG-CD1 4.15Å; M502-Y535 HydrophobicContact CE-CE1 4.42Å; M502-Y535 HydrophobicContact CE-CE2 3.93Å; M502-Y535 WeakPolarHBondContact CE-OH 3.25Å
503	E	97.1	Very high	89.6	Confident	117 Å²	117	48.4 Å²	48.4	55%	0.547	23%	0.231	S	C	.	.	H	α-helix	trans	-61	-46.2	176	-74.6	171.4	-180	0	0	111.3	M499 L500 A505 E506 R507	M499-E503 WeakPolarHBondContact O-CG 3.38Å; M499-E503 PolarHBondContact O-N 2.76Å; L500-E503 PolarHBondContact O-N 2.87Å; E503-A505 PolarHBondContact O-N 3.37Å; E503-E506 PolarHBondContact O-N 3.09Å; E503-R507 PolarHBondContact O-N 3.48Å
504	E	98.3	Very high	91.9	Very high	42 Å²	42	48.8 Å²	48.8	20%	0.196	25%	0.249	C	C	.	.	H	α-helix	trans	-65.8	-38.9	175.8	-178.4	62.3	-169.4	0	0	112	L422 L437 L500 E506 R507 I508	L422-E504 HydrophobicContact CD2-CB 4.4Å; L422-E504 HydrophobicContact CD2-CG 4.01Å; L437-E504 HydrophobicContact CD1-CB 4.21Å; L437-E504 HydrophobicContact CD1-CG 3.93Å; L437-E504 HydrophobicContact CD2-CG 4.28Å; L500-E504 PolarHBondContact O-N 2.72Å; L500-E504 VanDerWaalsContact O-N 3.07Å; E504-E506 VanDerWaalsContact C-N 3.34Å; E504-E506 PolarHBondContact O-N 3.19Å; E504-R507 WeakPolarHBondContact O-CB 3.33Å; E504-R507 PolarHBondContact O-N 3.11Å; E504-R507 IonicContact OE1-CZ 3.79Å; E504-R507 IonicContact OE1-NE 3.74Å; E504-R507 PolarHBondContact OE1-NE 3.4Å; E504-R507 VanDerWaalsContact OE1-NE 3.14Å; E504-R507 IonicContact OE1-NH2 3.01Å; E504-R507 PolarHBondContact OE1-NH2 3.41Å; E504-R507 IonicContact OE2-CZ 2.78Å; E504-R507 IonicContact OE2-NE 3.66Å; E504-R507 PolarHBondContact OE2-NE 3.44Å; E504-I508 HydrophobicContact CG-CD1 3.92Å; E504-I508 HydrophobicContact CG-CG1 4.39Å; E504-I508 WeakPolarHBondContact O-CG1 3.42Å; E504-I508 PolarHBondContact O-N 2.9Å
505	A	98.5	Very high	94	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-63.9	-38.5	175.7	0	0	0	0	0	112.4	L437 L451 L453 V472 L501 M502 E503 A509 I518	L437-A505 HydrophobicContact CD1-CB 4.17Å; L451-A505 HydrophobicContact CD1-CB 3.75Å; L451-A505 HydrophobicContact CD2-CB 3.79Å; L451-A505 HydrophobicContact CG-CB 4.48Å; L453-A505 HydrophobicContact CD1-CB 4.42Å; L453-A505 HydrophobicContact CD2-CB 4.24Å; V472-A505 HydrophobicContact CG2-CB 4.42Å; L501-A505 WeakPolarHBondContact O-CB 3.17Å; L501-A505 PolarHBondContact O-N 3.38Å; M502-A505 PolarHBondContact O-N 2.99Å; E503-A505 PolarHBondContact O-N 3.37Å; A505-A509 WeakPolarHBondContact O-CB 3.28Å; A505-A509 PolarHBondContact O-N 3.39Å; A505-I518 HydrophobicContact CB-CD1 4.5Å
506	E	98.5	Very high	95.8	Very high	33 Å²	33	42.2 Å²	42.2	15%	0.154	23%	0.23	C	C	.	.	H	α-helix	trans	-64.6	-41.3	173.1	-74	-179.8	-164.4	0	0	111.5	M502 E503 E504 R510 I518 Y535 K544 L546	M502-E506 WeakPolarHBondContact O-CB 3.39Å; M502-E506 VanDerWaalsContact O-CG 3.31Å; M502-E506 WeakPolarHBondContact O-CG 3.25Å; M502-E506 PolarHBondContact O-N 3.38Å; E503-E506 PolarHBondContact O-N 3.09Å; E504-E506 VanDerWaalsContact C-N 3.34Å; E504-E506 PolarHBondContact O-N 3.19Å; E506-R510 WeakPolarHBondContact O-CB 3.49Å; E506-R510 PolarHBondContact O-N 3.1Å; E506-I518 HydrophobicContact CG-CD1 4.18Å; E506-I518 HydrophobicContact CG-CG2 4.26Å; E506-Y535 WeakPolarHBondContact OE1-CE2 3.49Å; E506-Y535 PolarHBondContact OE1-OH 3.14Å; E506-K544 WeakPolarHBondContact OE1-CD 3.42Å; E506-K544 IonicContact OE1-NZ 2.76Å; E506-K544 PolarHBondContact OE1-NZ 2.94Å; E506-K544 WeakPolarHBondContact OE2-CE 3.42Å; E506-K544 IonicContact OE2-NZ 3.31Å; E506-K544 PolarHBondContact OE2-NZ 3.43Å; E506-L546 HydrophobicContact CB-CD2 4.04Å; E506-L546 HydrophobicContact CG-CD2 4.05Å
507	R	98.4	Very high	96.6	Very high	71 Å²	71	42.1 Å²	42.1	27%	0.268	22%	0.22	S	C	.	.	H	α-helix	trans	-60.6	-53.5	175.8	-168.4	-160.1	67	70.9	2.9	111.4	E503 E504 A509 R510 E511 E512	E503-R507 PolarHBondContact O-N 3.48Å; E504-R507 WeakPolarHBondContact O-CB 3.33Å; E504-R507 PolarHBondContact O-N 3.11Å; E504-R507 IonicContact OE1-CZ 3.79Å; E504-R507 IonicContact OE1-NE 3.74Å; E504-R507 PolarHBondContact OE1-NE 3.4Å; E504-R507 VanDerWaalsContact OE1-NE 3.14Å; E504-R507 IonicContact OE1-NH2 3.01Å; E504-R507 PolarHBondContact OE1-NH2 3.41Å; E504-R507 IonicContact OE2-CZ 2.78Å; E504-R507 IonicContact OE2-NE 3.66Å; E504-R507 PolarHBondContact OE2-NE 3.44Å; R507-A509 VanDerWaalsContact C-N 3.34Å; R507-A509 PolarHBondContact O-N 3.16Å; R507-R510 PolarHBondContact O-N 3.47Å; R507-E511 VanDerWaalsContact CG-CD 3.43Å; R507-E511 HydrophobicContact CG-CG 4.46Å; R507-E511 WeakPolarHBondContact CG-OE1 3.43Å; R507-E511 VanDerWaalsContact CG-OE2 3.25Å; R507-E511 WeakPolarHBondContact CG-OE2 3.45Å; R507-E511 IonicContact CZ-OE2 3.63Å; R507-E511 IonicContact NH1-OE2 3.23Å; R507-E511 PolarHBondContact NH1-OE2 2.9Å; R507-E511 WeakPolarHBondContact O-CB 3.3Å; R507-E511 PolarHBondContact O-N 3.34Å; R507-E512 IonicContact CZ-OE1 2.98Å; R507-E512 IonicContact NH1-OE1 2.79Å; R507-E512 PolarHBondContact NH1-OE1 3.11Å; R507-E512 IonicContact NH2-OE1 3.94Å; R507-E512 PolarHBondContact NH2-OE1 3.01Å
508	I	98.4	Very high	97	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-59.6	-45.4	178.7	-66.8	170.6	0	0	0	110.7	T435 L437 L453 E504 R510 E512 H513	T435-I508 HydrophobicContact CG2-CD1 4.2Å; L437-I508 HydrophobicContact CD1-CD1 4.1Å; L437-I508 HydrophobicContact CD2-CD1 3.81Å; L437-I508 HydrophobicContact CG-CD1 4.42Å; L453-I508 HydrophobicContact CD2-CB 4.03Å; L453-I508 HydrophobicContact CD2-CG2 3.83Å; E504-I508 HydrophobicContact CG-CD1 3.92Å; E504-I508 HydrophobicContact CG-CG1 4.39Å; E504-I508 WeakPolarHBondContact O-CG1 3.42Å; E504-I508 PolarHBondContact O-N 2.9Å; I508-R510 VanDerWaalsContact C-N 3.28Å; I508-R510 PolarHBondContact O-N 3.41Å; I508-E512 HydrophobicContact CG2-CB 4.31Å; I508-E512 WeakPolarHBondContact O-CA 3.23Å; I508-E512 WeakPolarHBondContact O-CB 3.46Å; I508-E512 PolarHBondContact O-N 3Å; I508-H513 PolarHBondContact O-N 3.1Å
509	A	98.2	Very high	97.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-59.6	-39.2	178.7	0	0	0	0	0	112.3	A505 R507 H513 G514 S515 I518 L546	A505-A509 WeakPolarHBondContact O-CB 3.28Å; A505-A509 PolarHBondContact O-N 3.39Å; R507-A509 VanDerWaalsContact C-N 3.34Å; R507-A509 PolarHBondContact O-N 3.16Å; A509-H513 WeakPolarHBondContact O-CB 3.35Å; A509-G514 PolarHBondContact O-N 3.18Å; A509-S515 WeakPolarHBondContact O-CA 3.32Å; A509-S515 VanDerWaalsContact O-CB 3.23Å; A509-S515 WeakPolarHBondContact O-CB 3.39Å; A509-S515 PolarHBondContact O-N 2.92Å; A509-I518 HydrophobicContact CB-CD1 4.13Å; A509-L546 HydrophobicContact CB-CD1 3.63Å
510	R	97.8	Very high	97.6	Very high	114 Å²	114	36.8 Å²	36.8	43%	0.43	19%	0.192	S	C	.	.	H	α-helix	trans	-76.6	-54.2	179.3	-178.4	-179	62.2	-176.9	-0.3	112.2	E506 R507 I508 G514 L546 K547	E506-R510 WeakPolarHBondContact O-CB 3.49Å; E506-R510 PolarHBondContact O-N 3.1Å; R507-R510 PolarHBondContact O-N 3.47Å; I508-R510 VanDerWaalsContact C-N 3.28Å; I508-R510 PolarHBondContact O-N 3.41Å; R510-G514 WeakPolarHBondContact O-CA 3.27Å; R510-G514 PolarHBondContact O-N 2.96Å; R510-L546 HydrophobicContact CB-CB 4.4Å; R510-L546 HydrophobicContact CB-CD1 4.19Å; R510-K547 WeakPolarHBondContact CD-O 3.29Å; R510-K547 PolarHBondContact NH1-O 3.28Å
511	E	97.8	Very high	97.8	Very high	106 Å²	106	34.3 Å²	34.3	50%	0.495	18%	0.179	S	C	.	.	H	α-helix	trans	-83.1	-35.5	-166.2	-69.3	167.5	-161.4	0	0	112.5	R507	R507-E511 VanDerWaalsContact CG-CD 3.43Å; R507-E511 HydrophobicContact CG-CG 4.46Å; R507-E511 WeakPolarHBondContact CG-OE1 3.43Å; R507-E511 VanDerWaalsContact CG-OE2 3.25Å; R507-E511 WeakPolarHBondContact CG-OE2 3.45Å; R507-E511 IonicContact CZ-OE2 3.63Å; R507-E511 IonicContact NH1-OE2 3.23Å; R507-E511 PolarHBondContact NH1-OE2 2.9Å; R507-E511 WeakPolarHBondContact O-CB 3.3Å; R507-E511 PolarHBondContact O-N 3.34Å
512	E	97.3	Very high	97.8	Very high	75 Å²	75	34.6 Å²	34.6	35%	0.35	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-41.6	-172.7	-57.6	178.2	-144.3	0	0	112.2	R424 W433 R507 I508 G514	R424-E512 IonicContact CZ-OE1 2.62Å; R424-E512 IonicContact CZ-OE2 3.03Å; R424-E512 IonicContact NH1-OE1 3.76Å; R424-E512 PolarHBondContact NH1-OE1 3.44Å; R424-E512 IonicContact NH1-OE2 2.87Å; R424-E512 PolarHBondContact NH1-OE2 3.06Å; R424-E512 IonicContact NH2-OE2 3.85Å; R424-E512 PolarHBondContact NH2-OE2 3.21Å; W433-E512 HydrophobicContact CH2-CB 3.97Å; W433-E512 HydrophobicContact CZ3-CB 4.49Å; R507-E512 IonicContact CZ-OE1 2.98Å; R507-E512 IonicContact NH1-OE1 2.79Å; R507-E512 PolarHBondContact NH1-OE1 3.11Å; R507-E512 IonicContact NH2-OE1 3.94Å; R507-E512 PolarHBondContact NH2-OE1 3.01Å; I508-E512 HydrophobicContact CG2-CB 4.31Å; I508-E512 WeakPolarHBondContact O-CA 3.23Å; I508-E512 WeakPolarHBondContact O-CB 3.46Å; I508-E512 PolarHBondContact O-N 3Å; E512-G514 VanDerWaalsContact C-N 3.31Å
513	H	96.9	Very high	97.7	Very high	10 Å²	10	34.7 Å²	34.7	5%	0.046	18%	0.183	C	C	.	.	S	Bend	trans	-79.6	-17.1	175.9	-61.8	-175.4	0	0	0	112.5	W433 K455 S470 I508 A509 S515	W433-H513 AromaticContact CD2-NE2 3.64Å; W433-H513 AromaticContact CE2-NE2 3.87Å; W433-H513 AromaticContact CE3-CD2 3.38Å; W433-H513 AromaticContact CE3-NE2 3.52Å; W433-H513 AromaticContact CH2-CD2 3.66Å; W433-H513 AromaticContact CH2-NE2 3.95Å; W433-H513 AromaticContact CZ3-CD2 3.18Å; W433-H513 WeakPolarHBondContact CZ3-CD2 3.48Å; W433-H513 AromaticContact CZ3-NE2 3.68Å; K455-H513 HydrophobicContact CD-CB 3.92Å; K455-H513 WeakPolarHBondContact CE-O 3.5Å; K455-H513 HydrophobicContact CG-CB 4.17Å; S470-H513 PolarHBondContact OG-ND1 3.21Å; I508-H513 PolarHBondContact O-N 3.1Å; A509-H513 WeakPolarHBondContact O-CB 3.35Å; H513-S515 VanDerWaalsContact C-N 3.25Å; H513-S515 PolarHBondContact O-N 2.93Å
514	G	96.2	Very high	97.6	Very high	60 Å²	60	29.1 Å²	29.1	62%	0.619	16%	0.157	S	C	*	.			trans	64.2	28.4	-174	0	0	0	0	0	113.3	A509 R510 E512	A509-G514 PolarHBondContact O-N 3.18Å; R510-G514 WeakPolarHBondContact O-CA 3.27Å; R510-G514 PolarHBondContact O-N 2.96Å; E512-G514 VanDerWaalsContact C-N 3.31Å
515	S	96.8	Very high	97.5	Very high	6 Å²	6	27.5 Å²	27.5	4%	0.042	15%	0.151	C	C	.	.			trans	-82.4	135.6	-177	-59.9	0	0	0	0	111.6	G468 S470 A509 H513 K517 L546	G468-S515 CarbonylContact O-C 3.53Å; G468-S515 WeakPolarHBondContact O-CA 3.37Å; G468-S515 VanDerWaalsContact O-CB 3.25Å; G468-S515 WeakPolarHBondContact O-CB 3.43Å; S470-S515 PolarHBondContact N-OG 3.31Å; S470-S515 PolarHBondContact OG-OG 2.66Å; A509-S515 WeakPolarHBondContact O-CA 3.32Å; A509-S515 VanDerWaalsContact O-CB 3.23Å; A509-S515 WeakPolarHBondContact O-CB 3.39Å; A509-S515 PolarHBondContact O-N 2.92Å; H513-S515 VanDerWaalsContact C-N 3.25Å; H513-S515 PolarHBondContact O-N 2.93Å; S515-K517 VanDerWaalsContact C-N 3.33Å; S515-L546 WeakPolarHBondContact O-CD1 3.27Å
516	G	96.8	Very high	97.3	Very high	38 Å²	38	29.4 Å²	29.4	39%	0.392	16%	0.163	S	C	.	.	S	Bend	trans	-83.9	-11.2	171.7	0	0	0	0	0	113.4	G468 M545 L546	G468-G516 PolarHBondContact O-N 3.42Å; G468-G516 VanDerWaalsContact O-N 3.09Å; G516-M545 WeakPolarHBondContact O-CE 3.43Å; G516-L546 PolarHBondContact O-N 3.41Å
517	K	97.3	Very high	97.1	Very high	29 Å²	29	28.7 Å²	28.7	13%	0.126	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	143.9	-175.4	-175.8	174.7	65.1	179.5	0	110.7	E464 V469 S470 S515 V543 M545	E464-K517 VanDerWaalsContact O-CE 3.23Å; E464-K517 WeakPolarHBondContact O-CE 3.47Å; E464-K517 PolarHBondContact O-NZ 3.38Å; V469-K517 WeakPolarHBondContact CA-O 3.36Å; V469-K517 HydrophobicContact CG2-CB 4.25Å; S470-K517 PolarHBondContact N-O 3.37Å; S470-K517 VanDerWaalsContact N-O 3.1Å; S515-K517 VanDerWaalsContact C-N 3.33Å; K517-V543 HydrophobicContact CD-CB 4.39Å; K517-M545 HydrophobicContact CB-CE 4.42Å; K517-M545 HydrophobicContact CB-SD 3.99Å; K517-M545 HydrophobicContact CD-SD 3.87Å; K517-M545 HydrophobicContact CG-SD 3.9Å
518	I	98.5	Very high	96.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	136.7	170.3	-168.9	166.8	0	0	0	110.2	L453 S470 V472 A505 E506 A509 Y535 V543 K544 L546	L453-I518 HydrophobicContact CD1-CD1 4.15Å; S470-I518 CarbonylContact O-C 3.52Å; S470-I518 VanDerWaalsContact O-CA 3.27Å; S470-I518 WeakPolarHBondContact O-CA 3.22Å; V472-I518 HydrophobicContact CG2-CD1 3.86Å; V472-I518 HydrophobicContact CG2-CG1 4.22Å; A505-I518 HydrophobicContact CB-CD1 4.5Å; E506-I518 HydrophobicContact CG-CD1 4.18Å; E506-I518 HydrophobicContact CG-CG2 4.26Å; A509-I518 HydrophobicContact CB-CD1 4.13Å; I518-Y535 HydrophobicContact CG2-CE1 3.81Å; I518-Y535 VanDerWaalsContact CG2-OH 3.29Å; I518-Y535 WeakPolarHBondContact CG2-OH 3.5Å; I518-V543 CarbonylContact O-C 3.59Å; I518-V543 WeakPolarHBondContact O-CA 3.48Å; I518-K544 HydrophobicContact CG2-CB 3.98Å; I518-K544 PolarHBondContact N-O 2.83Å; I518-K544 PolarHBondContact O-N 2.64Å; I518-L546 HydrophobicContact CB-CD1 4.15Å; I518-L546 HydrophobicContact CB-CD2 4.19Å; I518-L546 HydrophobicContact CB-CG 4.29Å; I518-L546 HydrophobicContact CG2-CD2 3.66Å; I518-L546 HydrophobicContact CG2-CG 4.15Å
519	A	98.5	Very high	96.7	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	156.5	177.3	0	0	0	0	0	110.9	L465 V469 S470 I471 V472 M542 V543	L465-A519 HydrophobicContact CD2-CB 3.5Å; V469-A519 HydrophobicContact CG1-CB 4.16Å; S470-A519 PolarHBondContact O-N 3.3Å; I471-A519 CarbonylContact C-O 3.52Å; I471-A519 WeakPolarHBondContact CA-O 3.02Å; I471-A519 HydrophobicContact CB-CB 4.5Å; I471-A519 HydrophobicContact CD1-CB 4.41Å; I471-A519 HydrophobicContact CG1-CB 4.29Å; V472-A519 PolarHBondContact N-O 2.92Å; A519-M542 CarbonylContact C-O 3.57Å; A519-M542 WeakPolarHBondContact CA-O 3.46Å; A519-V543 HydrophobicContact CB-CG1 4.07Å
520	V	98.7	Very high	96.6	Very high	2 Å²	2	33 Å²	33	1%	0.012	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	129.1	174.9	-169.9	0	0	0	0	109.6	V472 M502 S522 Y530 Y535 Y541 M542	V472-V520 HydrophobicContact CB-CB 4.4Å; V472-V520 HydrophobicContact CB-CG1 4.13Å; V472-V520 HydrophobicContact CB-CG2 4.06Å; V472-V520 HydrophobicContact CG1-CG1 4.25Å; V472-V520 HydrophobicContact CG2-CG2 4.38Å; V472-V520 WeakPolarHBondContact O-CA 3.45Å; M502-V520 HydrophobicContact CE-CG2 4.11Å; V520-S522 VanDerWaalsContact C-N 3.26Å; V520-S522 PolarHBondContact O-N 2.8Å; V520-Y530 HydrophobicContact CB-CE1 4.38Å; V520-Y530 HydrophobicContact CG1-CD1 4.33Å; V520-Y530 HydrophobicContact CG1-CE1 3.74Å; V520-Y530 HydrophobicContact CG1-CE2 4.13Å; V520-Y530 HydrophobicContact CG2-CD1 4.16Å; V520-Y530 HydrophobicContact CG2-CE1 4.15Å; V520-Y535 HydrophobicContact CG2-CD1 3.95Å; V520-Y535 HydrophobicContact CG2-CE1 3.5Å; V520-Y535 VanDerWaalsContact CG2-CE1 3.5Å; V520-Y541 WeakPolarHBondContact O-CA 3.5Å; V520-M542 HydrophobicContact CB-CB 4.26Å; V520-M542 PolarHBondContact N-O 2.97Å; V520-M542 PolarHBondContact O-N 3.11Å
521	I	98.3	Very high	96.6	Very high	15 Å²	15	31.6 Å²	31.6	8%	0.077	18%	0.176	C	C	.	.			trans	-79.2	75.6	168.6	-168.1	173.8	0	0	0	110.5	L236 G278 F279 V472 R473 Y541	L236-I521 HydrophobicContact CD2-CD1 3.93Å; L236-I521 HydrophobicContact CD2-CG1 4.4Å; G278-I521 WeakPolarHBondContact O-CG2 3.22Å; F279-I521 HydrophobicContact CD1-CD1 3.69Å; F279-I521 HydrophobicContact CE1-CD1 3.98Å; F279-I521 HydrophobicContact CG-CD1 4.05Å; V472-I521 PolarHBondContact O-N 3.38Å; R473-I521 VanDerWaalsContact O-CG2 3.28Å; R473-I521 WeakPolarHBondContact O-CG2 3.49Å; I521-Y541 HydrophobicContact CB-CD1 4.39Å; I521-Y541 HydrophobicContact CB-CE1 4.42Å
522	S	97.4	Very high	96.4	Very high	7 Å²	7	35.2 Å²	35.2	5%	0.049	19%	0.19	C	C	.	.			trans	-80.7	129.2	-176.9	177	0	0	0	0	111.6	V520 T526 R527 Y530	V520-S522 VanDerWaalsContact C-N 3.26Å; V520-S522 PolarHBondContact O-N 2.8Å; S522-T526 PolarHBondContact OG-OG1 3.46Å; S522-R527 PolarHBondContact OG-N 3.06Å; S522-Y530 WeakPolarHBondContact OG-CD2 3.42Å; S522-Y530 VanDerWaalsContact OG-CE2 3.3Å; S522-Y530 WeakPolarHBondContact OG-CE2 3.46Å
523	G	96.1	Very high	96.3	Very high	3 Å²	3	33.3 Å²	33.3	3%	0.031	18%	0.181	C	C	.	.			trans	-57.5	145.2	163.4	0	0	0	0	0	111	I216 G525 T526 R527	I216-G523 WeakPolarHBondContact O-CA 3.48Å; G523-G525 VanDerWaalsContact C-N 3.32Å; G523-G525 PolarHBondContact O-N 2.86Å; G523-T526 PolarHBondContact N-OG1 2.98Å; G523-T526 PolarHBondContact O-N 3.38Å; G523-T526 PolarHBondContact O-OG1 3.11Å; G523-R527 PolarHBondContact O-N 3.35Å
524	V	95.7	Very high	96.3	Very high	1 Å²	1	35 Å²	35	1%	0.006	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-52.2	-47.9	-168.9	176.8	0	0	0	0	112.3	V205 E209 T526 R527	V205-V524 HydrophobicContact CG1-CG1 3.9Å; V205-V524 HydrophobicContact CG1-CG2 3.78Å; V205-V524 HydrophobicContact CG2-CG2 4.44Å; V205-V524 VanDerWaalsContact O-CG1 3.28Å; V205-V524 WeakPolarHBondContact O-CG1 3.25Å; E209-V524 HydrophobicContact CB-CG1 3.84Å; V524-T526 PolarHBondContact O-N 3.4Å; V524-R527 PolarHBondContact O-N 3.29Å
525	G	94.6	Very high	96.3	Very high	8 Å²	8	32.2 Å²	32.2	8%	0.082	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-70.5	-8.8	-179.2	0	0	0	0	0	115.2	K214 C215 G523	K214-G525 WeakPolarHBondContact CD-O 3.26Å; C215-G525 WeakPolarHBondContact O-CA 3.35Å; C215-G525 PolarHBondContact O-N 3.2Å; G523-G525 VanDerWaalsContact C-N 3.32Å; G523-G525 PolarHBondContact O-N 2.86Å
526	T	94.3	Very high	96.4	Very high	39 Å²	39	41.4 Å²	41.4	24%	0.239	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-105.1	-6.5	-179.8	62.7	0	0	0	0	113.9	I216 S522 G523 V524 N528 Y529	I216-T526 HydrophobicContact CB-CG2 3.84Å; I216-T526 HydrophobicContact CG2-CG2 3.66Å; S522-T526 PolarHBondContact OG-OG1 3.46Å; G523-T526 PolarHBondContact N-OG1 2.98Å; G523-T526 PolarHBondContact O-N 3.38Å; G523-T526 PolarHBondContact O-OG1 3.11Å; V524-T526 PolarHBondContact O-N 3.4Å; T526-N528 PolarHBondContact O-N 2.73Å; T526-N528 VanDerWaalsContact O-N 3.1Å; T526-Y529 VanDerWaalsContact O-CB 3.25Å; T526-Y529 WeakPolarHBondContact O-CB 3.16Å; T526-Y529 PolarHBondContact O-N 2.88Å
527	R	96	Very high	96.4	Very high	19 Å²	19	43.3 Å²	43.3	7%	0.072	21%	0.207	C	C	.	.	H	α-helix	trans	-54.9	-36	-178.2	-70.6	175	171	171.5	-3.9	113.9	E209 S522 G523 V524 Y529 Y530 R531 M542	E209-R527 VanDerWaalsContact OE2-CD 3.25Å; E209-R527 WeakPolarHBondContact OE2-CD 3.49Å; E209-R527 IonicContact OE2-NH1 2.77Å; E209-R527 PolarHBondContact OE2-NH1 3.03Å; S522-R527 PolarHBondContact OG-N 3.06Å; G523-R527 PolarHBondContact O-N 3.35Å; V524-R527 PolarHBondContact O-N 3.29Å; R527-Y529 VanDerWaalsContact C-N 3.26Å; R527-Y529 PolarHBondContact O-N 2.7Å; R527-Y530 PolarHBondContact O-N 3.31Å; R527-R531 PolarHBondContact O-N 3.14Å; R527-R531 VanDerWaalsContact O-N 3.07Å; R527-M542 HydrophobicContact CB-CG 4.44Å; R527-M542 HydrophobicContact CB-SD 3.85Å; R527-M542 HydrophobicContact CG-CG 4.12Å; R527-M542 HydrophobicContact CG-SD 3.81Å
528	N	94.4	Very high	96.4	Very high	69 Å²	69	45.4 Å²	45.4	37%	0.369	22%	0.217	S	C	.	.	H	α-helix	trans	-65.3	-24.2	177	-77.6	-38.4	0	0	0	114	T526 R531 K532	T526-N528 PolarHBondContact O-N 2.73Å; T526-N528 VanDerWaalsContact O-N 3.1Å; N528-R531 PolarHBondContact OD1-NH1 3.23Å; N528-K532 WeakPolarHBondContact O-CG 3.1Å; N528-K532 PolarHBondContact O-N 3.06Å
529	Y	92.9	Very high	96.2	Very high	79 Å²	79	47.8 Å²	47.8	31%	0.31	24%	0.242	S	C	.	.	H	α-helix	trans	-64.1	-50.5	171.4	169.2	-98.9	0	0	0	110.1	L475 G498 T526 R527 R531 K532 I533	L475-Y529 HydrophobicContact CD2-CE1 3.73Å; G498-Y529 VanDerWaalsContact C-OH 3.29Å; T526-Y529 VanDerWaalsContact O-CB 3.25Å; T526-Y529 WeakPolarHBondContact O-CB 3.16Å; T526-Y529 PolarHBondContact O-N 2.88Å; R527-Y529 VanDerWaalsContact C-N 3.26Å; R527-Y529 PolarHBondContact O-N 2.7Å; Y529-R531 VanDerWaalsContact C-N 3.34Å; Y529-R531 PolarHBondContact O-N 3.42Å; Y529-K532 WeakPolarHBondContact O-CB 3.4Å; Y529-K532 PolarHBondContact O-N 3.28Å; Y529-K532 VanDerWaalsContact O-N 3.15Å; Y529-I533 HydrophobicContact CE1-CD1 4.28Å
530	Y	96.8	Very high	96.1	Very high	14 Å²	14	48.6 Å²	48.6	6%	0.055	25%	0.247	C	C	.	.	H	α-helix	trans	-65.5	-33.8	179.8	-61	-75.1	0	0	0	113	L475 M502 V520 S522 R527 K532 I533 G534 Y535 M542	L475-Y530 HydrophobicContact CD2-CE1 4.38Å; M502-Y530 HydrophobicContact CE-CE1 4.35Å; M502-Y530 HydrophobicContact SD-CE1 4.17Å; V520-Y530 HydrophobicContact CB-CE1 4.38Å; V520-Y530 HydrophobicContact CG1-CD1 4.33Å; V520-Y530 HydrophobicContact CG1-CE1 3.74Å; V520-Y530 HydrophobicContact CG1-CE2 4.13Å; V520-Y530 HydrophobicContact CG2-CD1 4.16Å; V520-Y530 HydrophobicContact CG2-CE1 4.15Å; S522-Y530 WeakPolarHBondContact OG-CD2 3.42Å; S522-Y530 VanDerWaalsContact OG-CE2 3.3Å; S522-Y530 WeakPolarHBondContact OG-CE2 3.46Å; R527-Y530 PolarHBondContact O-N 3.31Å; Y530-K532 VanDerWaalsContact C-N 3.25Å; Y530-K532 PolarHBondContact O-N 2.91Å; Y530-I533 HydrophobicContact CD1-CD1 4.2Å; Y530-I533 CarbonylContact O-C 3.41Å; Y530-I533 VanDerWaalsContact O-CG1 3.22Å; Y530-I533 WeakPolarHBondContact O-CG1 3.25Å; Y530-I533 PolarHBondContact O-N 3.02Å; Y530-I533 VanDerWaalsContact O-N 3.13Å; Y530-G534 PolarHBondContact O-N 3.21Å; Y530-Y535 WeakPolarHBondContact O-CB 3.45Å; Y530-Y535 PolarHBondContact O-N 3.19Å; Y530-M542 HydrophobicContact CD2-CG 4.3Å; Y530-M542 HydrophobicContact CG-CB 4.44Å; Y530-M542 HydrophobicContact CG-CG 4.44Å
531	R	96.4	Very high	96.1	Very high	84 Å²	84	48.5 Å²	48.5	32%	0.317	25%	0.246	S	C	.	.	H	α-helix	trans	-59.1	-35.8	173.8	-69.8	-167.7	-171.2	93.5	0.5	113.3	E209 R527 N528 Y529 I533 G534 Y535 M542	E209-R531 IonicContact OE1-CZ 3.42Å; E209-R531 IonicContact OE1-NH1 3.99Å; E209-R531 PolarHBondContact OE1-NH1 3.12Å; E209-R531 IonicContact OE1-NH2 3.24Å; E209-R531 PolarHBondContact OE1-NH2 3.49Å; E209-R531 IonicContact OE2-NH2 2.8Å; R527-R531 PolarHBondContact O-N 3.14Å; R527-R531 VanDerWaalsContact O-N 3.07Å; N528-R531 PolarHBondContact OD1-NH1 3.23Å; Y529-R531 VanDerWaalsContact C-N 3.34Å; Y529-R531 PolarHBondContact O-N 3.42Å; R531-I533 PolarHBondContact O-N 2.74Å; R531-G534 PolarHBondContact O-N 2.86Å; R531-Y535 WeakPolarHBondContact CA-O 3.29Å; R531-M542 HydrophobicContact CG-CE 3.58Å
532	K	94.8	Very high	96.1	Very high	182 Å²	182	47.8 Å²	47.8	79%	0.791	24%	0.243	S	C	*	.	H	α-helix	trans	-67	-25.7	179.1	-67.9	175.6	-177.1	-173.7	0	112.9	N528 Y529 Y530	N528-K532 WeakPolarHBondContact O-CG 3.1Å; N528-K532 PolarHBondContact O-N 3.06Å; Y529-K532 WeakPolarHBondContact O-CB 3.4Å; Y529-K532 PolarHBondContact O-N 3.28Å; Y529-K532 VanDerWaalsContact O-N 3.15Å; Y530-K532 VanDerWaalsContact C-N 3.25Å; Y530-K532 PolarHBondContact O-N 2.91Å
533	I	94.5	Very high	96.1	Very high	34 Å²	34	48.3 Å²	48.3	17%	0.174	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	19.6	178	58.2	167.7	0	0	0	112.5	M499 M502 Y529 Y530 R531 Y535 K544	M499-I533 HydrophobicContact CE-CG2 3.94Å; M499-I533 HydrophobicContact CG-CG2 4.36Å; M502-I533 HydrophobicContact CB-CD1 4.35Å; M502-I533 HydrophobicContact CG-CD1 4.15Å; Y529-I533 HydrophobicContact CE1-CD1 4.28Å; Y530-I533 HydrophobicContact CD1-CD1 4.2Å; Y530-I533 CarbonylContact O-C 3.41Å; Y530-I533 VanDerWaalsContact O-CG1 3.22Å; Y530-I533 WeakPolarHBondContact O-CG1 3.25Å; Y530-I533 PolarHBondContact O-N 3.02Å; Y530-I533 VanDerWaalsContact O-N 3.13Å; R531-I533 PolarHBondContact O-N 2.74Å; I533-Y535 HydrophobicContact CD1-CD2 4.17Å; I533-Y535 HydrophobicContact CD1-CE2 3.99Å; I533-Y535 HydrophobicContact CG1-CD2 3.89Å; I533-Y535 HydrophobicContact CG1-CE2 4.17Å; I533-K544 PolarHBondContact O-NZ 2.79Å
534	G	96.3	Very high	96.2	Very high	45 Å²	45	50.8 Å²	50.8	46%	0.464	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.6	3.7	168.1	0	0	0	0	0	116.3	Y530 R531	Y530-G534 PolarHBondContact O-N 3.21Å; R531-G534 PolarHBondContact O-N 2.86Å
535	Y	98.1	Very high	96.3	Very high	3 Å²	3	57 Å²	57	1%	0.012	29%	0.286	C	S	.	.			trans	-79.7	151.8	176.6	-70.9	-110.5	0	0	0	112	M502 E506 I518 V520 Y530 R531 I533 M542 V543 K544	M502-Y535 HydrophobicContact CE-CE1 4.42Å; M502-Y535 HydrophobicContact CE-CE2 3.93Å; M502-Y535 WeakPolarHBondContact CE-OH 3.25Å; E506-Y535 WeakPolarHBondContact OE1-CE2 3.49Å; E506-Y535 PolarHBondContact OE1-OH 3.14Å; I518-Y535 HydrophobicContact CG2-CE1 3.81Å; I518-Y535 VanDerWaalsContact CG2-OH 3.29Å; I518-Y535 WeakPolarHBondContact CG2-OH 3.5Å; V520-Y535 HydrophobicContact CG2-CD1 3.95Å; V520-Y535 HydrophobicContact CG2-CE1 3.5Å; V520-Y535 VanDerWaalsContact CG2-CE1 3.5Å; Y530-Y535 WeakPolarHBondContact O-CB 3.45Å; Y530-Y535 PolarHBondContact O-N 3.19Å; R531-Y535 WeakPolarHBondContact CA-O 3.29Å; I533-Y535 HydrophobicContact CD1-CD2 4.17Å; I533-Y535 HydrophobicContact CD1-CE2 3.99Å; I533-Y535 HydrophobicContact CG1-CD2 3.89Å; I533-Y535 HydrophobicContact CG1-CE2 4.17Å; Y535-M542 HydrophobicContact CD1-CB 4.25Å; Y535-M542 WeakPolarHBondContact CD1-O 3.14Å; Y535-V543 CarbonylContact C-O 3.6Å; Y535-V543 VanDerWaalsContact CA-O 3.3Å; Y535-V543 WeakPolarHBondContact CA-O 3.48Å; Y535-V543 VanDerWaalsContact CD1-C 3.46Å; Y535-K544 HydrophobicContact CG-CB 3.87Å; Y535-K544 HydrophobicContact CE2-CD 3.64Å; Y535-K544 HydrophobicContact CD2-CD 3.94Å; Y535-K544 HydrophobicContact CE2-CB 4.03Å; Y535-K544 HydrophobicContact CE1-CB 3.63Å; Y535-K544 HydrophobicContact CD2-CB 4.04Å; Y535-K544 HydrophobicContact CD1-CB 3.66Å
536	R	97.8	Very high	96.3	Very high	199 Å²	199	57.7 Å²	57.7	75%	0.751	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.7	152.4	176.8	-59.6	-179.4	-176.2	179.9	0.2	110.1	M542 V543	R536-M542 CarbonylContact O-C 3.55Å; R536-M542 WeakPolarHBondContact O-CA 3.33Å; R536-V543 PolarHBondContact N-O 3.24Å; R536-V543 PolarHBondContact O-N 3Å
537	L	97.3	Very high	95.6	Very high	78 Å²	78	67.1 Å²	67.1	41%	0.408	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	126	178.5	-173.6	70.3	0	0	0	109.6	Y541 M542	L537-Y541 WeakPolarHBondContact CA-O 3.23Å; L537-M542 HydrophobicContact CB-SD 4.03Å; L537-M542 HydrophobicContact CD1-SD 3.76Å
538	Q	96.4	Very high	95.6	Very high	72 Å²	72	69.6 Å²	69.6	34%	0.336	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	111.5	170.7	-177.4	-179.4	29.6	0	0	108.4	E464 Y541 V543	E464-Q538 HydrophobicContact CG-CG 4.19Å; Q538-Y541 PolarHBondContact N-O 2.92Å; Q538-Y541 PolarHBondContact O-N 3.11Å; Q538-Y541 VanDerWaalsContact O-N 3.12Å; Q538-V543 HydrophobicContact CB-CB 4.44Å; Q538-V543 HydrophobicContact CB-CG1 4Å; Q538-V543 HydrophobicContact CB-CG2 3.54Å
539	G	94.6	Very high	95.6	Very high	50 Å²	50	69.6 Å²	69.6	52%	0.515	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.1	-130.2	-170.9	0	0	0	0	0	110.7
540	P	96.3	Very high	95.8	Very high	18 Å²	18	69.1 Å²	69.1	12%	0.117	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-11.3	177.3	32.2	-31.6	0	0	0	113.9	L236 E464	L236-P540 HydrophobicContact CB-CB 3.84Å; L236-P540 HydrophobicContact CB-CG 3.94Å; L236-P540 HydrophobicContact CD1-CG 4.02Å; L236-P540 HydrophobicContact CD2-CB 4.38Å; L236-P540 HydrophobicContact CD2-CG 4.33Å; L236-P540 HydrophobicContact CG-CG 4.31Å; E464-P540 WeakPolarHBondContact OE1-CD 3.5Å
541	Y	98.4	Very high	95.7	Very high	0 Å²	0	72.3 Å²	72.3	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	153.4	-170.5	-53.5	-75.3	0	0	0	113.4	L236 S277 E464 L465 I471 V520 I521 L537 Q538	L236-Y541 VanDerWaalsContact CD1-OH 3.29Å; L236-Y541 WeakPolarHBondContact CD1-OH 3.44Å; L236-Y541 HydrophobicContact CD2-CE1 4.15Å; S277-Y541 WeakPolarHBondContact O-CE1 3.27Å; S277-Y541 PolarHBondContact O-OH 3.38Å; E464-Y541 HydrophobicContact CB-CD2 3.95Å; E464-Y541 HydrophobicContact CB-CE2 4.23Å; E464-Y541 HydrophobicContact CG-CD2 4.35Å; L465-Y541 HydrophobicContact CD1-CE1 4.23Å; L465-Y541 HydrophobicContact CD1-CE2 4.09Å; L465-Y541 HydrophobicContact CD2-CD2 4.2Å; L465-Y541 HydrophobicContact CD2-CE2 4.14Å; L465-Y541 HydrophobicContact CD2-CG 4.43Å; L465-Y541 HydrophobicContact CG-CD2 4.5Å; L465-Y541 HydrophobicContact CG-CE2 3.98Å; I471-Y541 HydrophobicContact CD1-CD1 4.05Å; I471-Y541 HydrophobicContact CD1-CE1 3.78Å; V520-Y541 WeakPolarHBondContact O-CA 3.5Å; I521-Y541 HydrophobicContact CB-CD1 4.39Å; I521-Y541 HydrophobicContact CB-CE1 4.42Å; L537-Y541 WeakPolarHBondContact CA-O 3.23Å; Q538-Y541 PolarHBondContact N-O 2.92Å; Q538-Y541 PolarHBondContact O-N 3.11Å; Q538-Y541 VanDerWaalsContact O-N 3.12Å
542	M	98.4	Very high	95.7	Very high	0 Å²	0	71.6 Å²	71.6	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	122.1	162.5	-62.2	-60	-61.1	0	0	108.3	A519 V520 R527 Y530 R531 Y535 R536 L537	A519-M542 CarbonylContact C-O 3.57Å; A519-M542 WeakPolarHBondContact CA-O 3.46Å; V520-M542 HydrophobicContact CB-CB 4.26Å; V520-M542 PolarHBondContact N-O 2.97Å; V520-M542 PolarHBondContact O-N 3.11Å; R527-M542 HydrophobicContact CB-CG 4.44Å; R527-M542 HydrophobicContact CB-SD 3.85Å; R527-M542 HydrophobicContact CG-CG 4.12Å; R527-M542 HydrophobicContact CG-SD 3.81Å; Y530-M542 HydrophobicContact CD2-CG 4.3Å; Y530-M542 HydrophobicContact CG-CB 4.44Å; Y530-M542 HydrophobicContact CG-CG 4.44Å; R531-M542 HydrophobicContact CG-CE 3.58Å; Y535-M542 HydrophobicContact CD1-CB 4.25Å; Y535-M542 WeakPolarHBondContact CD1-O 3.14Å; R536-M542 CarbonylContact O-C 3.55Å; R536-M542 WeakPolarHBondContact O-CA 3.33Å; L537-M542 HydrophobicContact CB-SD 4.03Å; L537-M542 HydrophobicContact CD1-SD 3.76Å
543	V	98.2	Very high	95.7	Very high	17 Å²	17	64.2 Å²	64.2	10%	0.103	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	149.9	-175	-58.2	0	0	0	0	112.5	K517 I518 A519 Y535 R536 Q538	K517-V543 HydrophobicContact CD-CB 4.39Å; I518-V543 CarbonylContact O-C 3.59Å; I518-V543 WeakPolarHBondContact O-CA 3.48Å; A519-V543 HydrophobicContact CB-CG1 4.07Å; Y535-V543 CarbonylContact C-O 3.6Å; Y535-V543 VanDerWaalsContact CA-O 3.3Å; Y535-V543 WeakPolarHBondContact CA-O 3.48Å; Y535-V543 VanDerWaalsContact CD1-C 3.46Å; R536-V543 PolarHBondContact N-O 3.24Å; R536-V543 PolarHBondContact O-N 3Å; Q538-V543 HydrophobicContact CB-CB 4.44Å; Q538-V543 HydrophobicContact CB-CG1 4Å; Q538-V543 HydrophobicContact CB-CG2 3.54Å
544	K	97.9	Very high	95.8	Very high	55 Å²	55	66.4 Å²	66.4	24%	0.239	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	134.5	172.5	-177.5	178.2	173.8	-174.6	0	108.8	E506 I518 I533 Y535	E506-K544 WeakPolarHBondContact OE1-CD 3.42Å; E506-K544 IonicContact OE1-NZ 2.76Å; E506-K544 PolarHBondContact OE1-NZ 2.94Å; E506-K544 WeakPolarHBondContact OE2-CE 3.42Å; E506-K544 IonicContact OE2-NZ 3.31Å; E506-K544 PolarHBondContact OE2-NZ 3.43Å; I518-K544 HydrophobicContact CG2-CB 3.98Å; I518-K544 PolarHBondContact N-O 2.83Å; I518-K544 PolarHBondContact O-N 2.64Å; I533-K544 PolarHBondContact O-NZ 2.79Å; Y535-K544 HydrophobicContact CG-CB 3.87Å; Y535-K544 HydrophobicContact CE2-CD 3.64Å; Y535-K544 HydrophobicContact CD2-CD 3.94Å; Y535-K544 HydrophobicContact CE2-CB 4.03Å; Y535-K544 HydrophobicContact CE1-CB 3.63Å; Y535-K544 HydrophobicContact CD2-CB 4.04Å; Y535-K544 HydrophobicContact CD1-CB 3.66Å
545	M	97.3	Very high	95.8	Very high	131 Å²	131	68 Å²	68	65%	0.645	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.9	132.3	172.2	-63.3	-56.1	-64	0	0	108.7	G516 K517	G516-M545 WeakPolarHBondContact O-CE 3.43Å; K517-M545 HydrophobicContact CB-CE 4.42Å; K517-M545 HydrophobicContact CB-SD 3.99Å; K517-M545 HydrophobicContact CD-SD 3.87Å; K517-M545 HydrophobicContact CG-SD 3.9Å
546	L	95	Very high	95.6	Very high	24 Å²	24	73.4 Å²	73.4	13%	0.126	36%	0.356	C	S	.	.			trans	-86.3	132.3	175.6	-59.9	176.7	0	0	0	107.7	E506 A509 R510 S515 G516 I518	E506-L546 HydrophobicContact CB-CD2 4.04Å; E506-L546 HydrophobicContact CG-CD2 4.05Å; A509-L546 HydrophobicContact CB-CD1 3.63Å; R510-L546 HydrophobicContact CB-CB 4.4Å; R510-L546 HydrophobicContact CB-CD1 4.19Å; S515-L546 WeakPolarHBondContact O-CD1 3.27Å; G516-L546 PolarHBondContact O-N 3.41Å; I518-L546 HydrophobicContact CB-CD1 4.15Å; I518-L546 HydrophobicContact CB-CD2 4.19Å; I518-L546 HydrophobicContact CB-CG 4.29Å; I518-L546 HydrophobicContact CG2-CD2 3.66Å; I518-L546 HydrophobicContact CG2-CG 4.15Å
547	K	79.8	Confident	95.4	Very high	237 Å²	237	62 Å²	62	100%	1.03	32%	0.32	S	S	*	.			trans	-104.5	0	179.5	-71.1	-171.9	179.7	-175.6	0	110.9	R510	R510-K547 WeakPolarHBondContact CD-O 3.29Å; R510-K547 PolarHBondContact NH1-O 3.28Å

Retrieved 547 of 547 residues in 114 ms (Link to these results)

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