A0A087X4D6_POEFO Loading...

Purine nucleoside phosphorylase

Catalyzes the phosphorolytic breakdown of the N-glycosidic bond in the beta-(deoxy)ribonucleoside molecules, with the formation of the corresponding free purine bases and pentose-1-phosphate. Preferentially acts on 6-oxopurine nucleosides including inosine and guanosine. The purine nucleoside phosphorylases catalyze the phosphorolytic breakdown of the N-glycosidic bond in the beta-(deoxy)ribonucleoside molecules, with the formation of the corresponding free purine bases and pentose-1-phosphate.

AlphaFold DB , UniProt , Accession A0A087X4D6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 294 aa.

Structure Viewer

Loading PAE data...

(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	34.8	Very low	53.5	Low	241 Å²	241	111.6 Å²	111.6	100%	1.187	59%	0.593	S	S	*	*				0	98.6	0	-157.9	175.9	-132.2	0	0	105.6
2	F	32	Very low	56.9	Low	199 Å²	199	111.3 Å²	111.3	87%	0.873	59%	0.586	S	S	*	*			trans	-66.5	135.3	173.2	-66.6	-83	0	0	0	106.9	E4	F2-E4 PolarHBondContact O-N 3.37Å
3	P	37.7	Very low	59.6	Low	108 Å²	108	106.3 Å²	106.3	70%	0.701	56%	0.56	S	S	*	*			trans	-59.2	135	175.2	24.4	-30.1	0	0	0	108	S5	P3-S5 PolarHBondContact O-N 3.16Å
4	E	38.6	Very low	62.2	Low	194 Å²	194	98.7 Å²	98.7	91%	0.907	52%	0.52	S	S	*	.			trans	-64	72.6	164.9	-69.7	-178.8	166.3	0	0	108.3	F2 N6	F2-E4 PolarHBondContact O-N 3.37Å; E4-N6 PolarHBondContact O-N 2.92Å
5	S	41.3	Very low	64.5	Low	78 Å²	78	96.9 Å²	96.9	55%	0.545	51%	0.506	S	S	.	.			trans	-74.4	87.1	159.1	53.8	0	0	0	0	105.9	P3 N7	P3-S5 PolarHBondContact O-N 3.16Å; S5-N7 PolarHBondContact O-N 2.77Å
6	N	45.8	Very low	66.6	Low	135 Å²	135	94.1 Å²	94.1	72%	0.722	50%	0.501	S	S	*	.			trans	-67.7	66.5	172.7	-152.7	17.7	0	0	0	108.8	E4 G8	E4-N6 PolarHBondContact O-N 2.92Å; N6-G8 VanDerWaalsContact C-N 3.34Å; N6-G8 PolarHBondContact OD1-O 3.34Å
7	N	51.4	Low	68.4	Low	109 Å²	109	88.5 Å²	88.5	58%	0.583	47%	0.471	S	S	*	.			trans	-92.1	2.3	-174.2	-78.5	-1.3	0	0	0	112.3	S5	S5-N7 PolarHBondContact O-N 2.77Å
8	G	57.4	Low	70.1	Confident	26 Å²	26	83.7 Å²	83.7	27%	0.268	45%	0.446	S	S	.	.	S	Bend	trans	-135.8	139.8	172.9	0	0	0	0	0	109.9	N6	N6-G8 VanDerWaalsContact C-N 3.34Å; N6-G8 PolarHBondContact OD1-O 3.34Å
9	L	70.7	Confident	71.5	Confident	45 Å²	45	83.1 Å²	83.1	24%	0.236	44%	0.443	C	S	.	.			trans	-62.7	139.1	173.6	-74.3	158.3	0	0	0	109.8	D13 N59 L102	L9-D13 HydrophobicContact CB-CB 3.9Å; L9-D13 HydrophobicContact CD2-CB 3.7Å; L9-D13 HydrophobicContact CG-CB 4.36Å; L9-N59 HydrophobicContact CD1-CB 4.11Å; L9-N59 WeakPolarHBondContact CD1-O 3.41Å; L9-N59 HydrophobicContact CD2-CB 4.07Å; L9-L102 HydrophobicContact CB-CD1 3.78Å; L9-L102 HydrophobicContact CD1-CD1 3.59Å; L9-L102 HydrophobicContact CD1-CD2 3.31Å; L9-L102 HydrophobicContact CD1-CG 3.99Å; L9-L102 HydrophobicContact CG-CD1 4.34Å
10	S	86.1	Confident	72.9	Confident	46 Å²	46	83.2 Å²	83.2	32%	0.322	44%	0.436	S	S	.	.			trans	-69.3	168.2	-178.9	69.2	0	0	0	0	111.5	E12 D13 C14	S10-E12 PolarHBondContact O-N 2.95Å; S10-E12 PolarHBondContact OG-N 3.31Å; S10-D13 WeakPolarHBondContact CB-OD2 3.32Å; S10-D13 PolarHBondContact N-OD2 3.36Å; S10-D13 PolarHBondContact O-N 3.39Å; S10-D13 PolarHBondContact OG-N 2.97Å; S10-D13 VanDerWaalsContact OG-N 3.12Å; S10-D13 PolarHBondContact OG-OD2 2.9Å; S10-C14 PolarHBondContact O-N 2.83Å; S10-C14 VanDerWaalsContact O-N 3.17Å; S10-C14 PolarHBondContact O-SG 2.93Å
11	Y	92.4	Very high	74.1	Confident	47 Å²	47	79.2 Å²	79.2	18%	0.184	42%	0.416	C	S	.	.	H	α-helix	trans	-54.7	-41.8	168.1	172	-90.7	0	0	0	111.2	D13 C14 K15 L109 R159 F160	Y11-D13 VanDerWaalsContact C-N 3.32Å; Y11-D13 PolarHBondContact O-N 2.9Å; Y11-C14 WeakPolarHBondContact O-CB 3.27Å; Y11-C14 PolarHBondContact O-N 3.13Å; Y11-K15 HydrophobicContact CE1-CB 4.18Å; Y11-K15 HydrophobicContact CE1-CD 3.81Å; Y11-K15 WeakPolarHBondContact O-CB 3.37Å; Y11-K15 PolarHBondContact O-N 2.91Å; Y11-L109 HydrophobicContact CE2-CD2 3.94Å; Y11-R159 HydrophobicContact CD2-CB 3.7Å; Y11-R159 HydrophobicContact CD2-CG 4.28Å; Y11-R159 HydrophobicContact CE2-CB 3.59Å; Y11-R159 HydrophobicContact CE2-CG 4.03Å; Y11-F160 HydrophobicContact CD2-CD2 4.32Å; Y11-F160 HydrophobicContact CD2-CE1 4.35Å; Y11-F160 AromaticContact CD2-CE2 3.6Å; Y11-F160 HydrophobicContact CD2-CE2 3.6Å; Y11-F160 AromaticContact CD2-CZ 3.6Å; Y11-F160 HydrophobicContact CD2-CZ 3.6Å; Y11-F160 HydrophobicContact CE2-CZ 4.27Å; Y11-F160 HydrophobicContact CG-CE2 4.34Å
12	E	94.1	Very high	77.1	Confident	108 Å²	108	69.3 Å²	69.3	51%	0.505	37%	0.367	S	S	.	.	H	α-helix	trans	-64.9	-36.5	-178.8	-56.7	-51.6	149.3	0	0	111.9	S10 K15 A16 R159	S10-E12 PolarHBondContact O-N 2.95Å; S10-E12 PolarHBondContact OG-N 3.31Å; E12-K15 PolarHBondContact O-N 2.95Å; E12-A16 VanDerWaalsContact O-CB 3.27Å; E12-A16 WeakPolarHBondContact O-CB 3.49Å; E12-A16 PolarHBondContact O-N 3.28Å; E12-R159 IonicContact OE1-NH1 3.51Å; E12-R159 PolarHBondContact OE1-NH1 3.36Å
13	D	93.1	Very high	80.3	Confident	46 Å²	46	63.6 Å²	63.6	25%	0.246	36%	0.357	C	S	.	.	H	α-helix	trans	-65.1	-43.4	174.7	-62.7	-48.9	0	0	0	111.7	L9 S10 Y11 K15 T17 N59	L9-D13 HydrophobicContact CB-CB 3.9Å; L9-D13 HydrophobicContact CD2-CB 3.7Å; L9-D13 HydrophobicContact CG-CB 4.36Å; S10-D13 WeakPolarHBondContact CB-OD2 3.32Å; S10-D13 PolarHBondContact N-OD2 3.36Å; S10-D13 PolarHBondContact O-N 3.39Å; S10-D13 PolarHBondContact OG-N 2.97Å; S10-D13 VanDerWaalsContact OG-N 3.12Å; S10-D13 PolarHBondContact OG-OD2 2.9Å; Y11-D13 VanDerWaalsContact C-N 3.32Å; Y11-D13 PolarHBondContact O-N 2.9Å; D13-K15 VanDerWaalsContact C-N 3.33Å; D13-T17 PolarHBondContact O-N 2.62Å; D13-T17 VanDerWaalsContact O-N 3.1Å; D13-T17 PolarHBondContact O-OG1 3.44Å; D13-T17 VanDerWaalsContact O-OG1 3.07Å; D13-N59 PolarHBondContact O-ND2 3.36Å
14	C	95.6	Very high	83.1	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-62.4	-43.1	176	-60.5	0	0	0	0	110.9	S10 Y11 T17 A18 L102 I106 L109 F160	S10-C14 PolarHBondContact O-N 2.83Å; S10-C14 VanDerWaalsContact O-N 3.17Å; S10-C14 PolarHBondContact O-SG 2.93Å; Y11-C14 WeakPolarHBondContact O-CB 3.27Å; Y11-C14 PolarHBondContact O-N 3.13Å; C14-T17 PolarHBondContact O-N 2.89Å; C14-A18 WeakPolarHBondContact O-CB 3.49Å; C14-A18 PolarHBondContact O-N 3.09Å; C14-L102 WeakPolarHBondContact SG-CD1 3.46Å; C14-I106 HydrophobicContact CB-CG1 4.46Å; C14-L109 HydrophobicContact CB-CD1 3.71Å; C14-F160 HydrophobicContact CB-CZ 4.25Å
15	K	96.8	Very high	85.8	Confident	72 Å²	72	54.3 Å²	54.3	31%	0.313	31%	0.305	S	S	.	.	H	α-helix	trans	-66.8	-45	179.9	-173.1	-178.4	-177.4	-59.6	0	111.5	Y11 E12 D13 T17 A18 D19 L109	Y11-K15 HydrophobicContact CE1-CB 4.18Å; Y11-K15 HydrophobicContact CE1-CD 3.81Å; Y11-K15 WeakPolarHBondContact O-CB 3.37Å; Y11-K15 PolarHBondContact O-N 2.91Å; E12-K15 PolarHBondContact O-N 2.95Å; D13-K15 VanDerWaalsContact C-N 3.33Å; K15-T17 VanDerWaalsContact C-N 3.3Å; K15-T17 PolarHBondContact O-N 3.4Å; K15-A18 PolarHBondContact O-N 2.88Å; K15-D19 IonicContact NZ-OD1 2.63Å; K15-D19 IonicContact NZ-OD2 4Å; K15-D19 PolarHBondContact NZ-OD2 3.26Å; K15-D19 WeakPolarHBondContact O-CB 3.39Å; K15-D19 VanDerWaalsContact O-CG 3.26Å; K15-D19 PolarHBondContact O-N 3.4Å; K15-L109 HydrophobicContact CB-CD1 4.13Å
16	A	97.4	Very high	88.3	Confident	51 Å²	51	59.2 Å²	59.2	42%	0.421	33%	0.325	S	S	.	.	H	α-helix	trans	-59.1	-42.3	176.3	0	0	0	0	0	111.5	E12 W20	E12-A16 VanDerWaalsContact O-CB 3.27Å; E12-A16 WeakPolarHBondContact O-CB 3.49Å; E12-A16 PolarHBondContact O-N 3.28Å; A16-W20 VanDerWaalsContact O-CB 3.31Å; A16-W20 WeakPolarHBondContact O-CB 3.42Å; A16-W20 PolarHBondContact O-N 2.94Å
17	T	97.8	Very high	90.7	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-65.1	-44.1	174.6	-58.2	0	0	0	0	112.1	D13 C14 K15 W20 L21 I57 P58 N59 F60 I106	D13-T17 PolarHBondContact O-N 2.62Å; D13-T17 VanDerWaalsContact O-N 3.1Å; D13-T17 PolarHBondContact O-OG1 3.44Å; D13-T17 VanDerWaalsContact O-OG1 3.07Å; C14-T17 PolarHBondContact O-N 2.89Å; K15-T17 VanDerWaalsContact C-N 3.3Å; K15-T17 PolarHBondContact O-N 3.4Å; T17-W20 PolarHBondContact O-N 3.49Å; T17-L21 HydrophobicContact CG2-CD1 4.15Å; T17-L21 WeakPolarHBondContact O-CG 3.36Å; T17-L21 PolarHBondContact O-N 3.2Å; T17-I57 HydrophobicContact CG2-CG2 3.55Å; T17-P58 VanDerWaalsContact CG2-O 3.23Å; T17-P58 WeakPolarHBondContact CG2-O 3.28Å; T17-P58 PolarHBondContact OG1-O 3.41Å; T17-N59 PolarHBondContact OG1-ND2 2.71Å; T17-F60 HydrophobicContact CG2-CD2 4.18Å; T17-I106 HydrophobicContact CG2-CD1 3.61Å; T17-I106 HydrophobicContact CG2-CG1 4.32Å; T17-I106 HydrophobicContact CG2-CG2 4.47Å
18	A	98.2	Very high	92.8	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.008	30%	0.297	C	S	.	.	H	α-helix	trans	-63.7	-46.8	178.2	0	0	0	0	0	111.7	C14 K15 W20 L21 L22 I106 L109 L110	C14-A18 WeakPolarHBondContact O-CB 3.49Å; C14-A18 PolarHBondContact O-N 3.09Å; K15-A18 PolarHBondContact O-N 2.88Å; A18-W20 VanDerWaalsContact C-N 3.33Å; A18-W20 PolarHBondContact O-N 2.99Å; A18-L21 PolarHBondContact O-N 3.23Å; A18-L22 VanDerWaalsContact O-CG 3.29Å; A18-L22 WeakPolarHBondContact O-CG 3.46Å; A18-L22 PolarHBondContact O-N 3.23Å; A18-I106 HydrophobicContact CB-CG2 4.35Å; A18-L109 HydrophobicContact CB-CB 3.63Å; A18-L109 HydrophobicContact CB-CD1 4.39Å; A18-L110 HydrophobicContact CB-CD2 4.18Å; A18-L110 HydrophobicContact CB-CG 4.46Å
19	D	98.3	Very high	94.7	Very high	73 Å²	73	55 Å²	55	39%	0.39	29%	0.285	S	S	.	.	H	α-helix	trans	-60.8	-42	177.2	-70.6	-18.1	0	0	0	111.4	K15 L21 L22 A23	K15-D19 IonicContact NZ-OD1 2.63Å; K15-D19 IonicContact NZ-OD2 4Å; K15-D19 PolarHBondContact NZ-OD2 3.26Å; K15-D19 WeakPolarHBondContact O-CB 3.39Å; K15-D19 VanDerWaalsContact O-CG 3.26Å; K15-D19 PolarHBondContact O-N 3.4Å; D19-L21 PolarHBondContact O-N 3.41Å; D19-L22 PolarHBondContact O-N 2.9Å; D19-A23 WeakPolarHBondContact O-CB 3.25Å; D19-A23 PolarHBondContact O-N 3.45Å
20	W	98.5	Very high	96	Very high	84 Å²	84	55.2 Å²	55.2	32%	0.318	29%	0.288	S	S	.	.	H	α-helix	trans	-59.9	-46.2	174.7	-176.5	90.9	0	0	0	111.2	A16 T17 A18 A23 Q24 F52 I57 P58	A16-W20 VanDerWaalsContact O-CB 3.31Å; A16-W20 WeakPolarHBondContact O-CB 3.42Å; A16-W20 PolarHBondContact O-N 2.94Å; T17-W20 PolarHBondContact O-N 3.49Å; A18-W20 VanDerWaalsContact C-N 3.33Å; A18-W20 PolarHBondContact O-N 2.99Å; W20-A23 PolarHBondContact O-N 2.91Å; W20-Q24 HydrophobicContact CD2-CG 4.47Å; W20-Q24 HydrophobicContact CH2-CG 4.47Å; W20-Q24 HydrophobicContact CZ2-CG 4.41Å; W20-Q24 VanDerWaalsContact O-CG 3.29Å; W20-Q24 WeakPolarHBondContact O-CG 3.38Å; W20-F52 AromaticContact CH2-CD1 3.79Å; W20-F52 HydrophobicContact CH2-CD1 3.79Å; W20-F52 HydrophobicContact CH2-CE1 4.08Å; W20-F52 AromaticContact CZ3-CD1 3.9Å; W20-F52 HydrophobicContact CZ3-CD1 3.9Å; W20-F52 HydrophobicContact CZ3-CE1 4.16Å; W20-F52 HydrophobicContact CZ3-CG 4.45Å; W20-I57 HydrophobicContact CZ3-CG1 4.24Å; W20-I57 HydrophobicContact CZ3-CG2 4.47Å; W20-P58 HydrophobicContact CB-CG 4.35Å; W20-P58 HydrophobicContact CD2-CG 4Å; W20-P58 HydrophobicContact CG-CG 3.9Å
21	L	98.4	Very high	96.6	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-62.9	-45.7	176.8	-72.1	166.1	0	0	0	111.9	T17 A18 D19 A23 Q24 I25 F52 I57 L72 F74 I106 L110	T17-L21 HydrophobicContact CG2-CD1 4.15Å; T17-L21 WeakPolarHBondContact O-CG 3.36Å; T17-L21 PolarHBondContact O-N 3.2Å; A18-L21 PolarHBondContact O-N 3.23Å; D19-L21 PolarHBondContact O-N 3.41Å; L21-A23 PolarHBondContact O-N 3.11Å; L21-Q24 PolarHBondContact O-N 3.48Å; L21-I25 WeakPolarHBondContact O-CG1 3.42Å; L21-I25 PolarHBondContact O-N 3.17Å; L21-F52 HydrophobicContact CD2-CD2 4.08Å; L21-F52 HydrophobicContact CD2-CE2 4.29Å; L21-F52 HydrophobicContact CD2-CG 4.4Å; L21-I57 HydrophobicContact CD1-CG2 4.42Å; L21-I57 HydrophobicContact CD2-CD1 4.39Å; L21-I57 HydrophobicContact CD2-CG1 4.43Å; L21-I57 HydrophobicContact CD2-CG2 4.29Å; L21-I57 HydrophobicContact CG-CG2 4.43Å; L21-L72 HydrophobicContact CD1-CD2 3.89Å; L21-L72 HydrophobicContact CD2-CD2 4.13Å; L21-F74 HydrophobicContact CB-CZ 4.35Å; L21-F74 HydrophobicContact CD1-CZ 4.31Å; L21-F74 HydrophobicContact CD2-CE2 3.96Å; L21-F74 HydrophobicContact CD2-CZ 4.06Å; L21-F74 HydrophobicContact CG-CZ 4.48Å; L21-I106 HydrophobicContact CD1-CG2 3.89Å; L21-L110 HydrophobicContact CB-CD2 4.04Å; L21-L110 HydrophobicContact CD1-CD1 4.25Å; L21-L110 HydrophobicContact CD1-CD2 4.5Å
22	L	98	Very high	96.9	Very high	33 Å²	33	50.9 Å²	50.9	17%	0.173	27%	0.265	C	S	.	.	H	α-helix	trans	-63.1	-27	179.7	-69.6	178.7	0	0	0	113.3	A18 D19 Q24 I25 L110	A18-L22 VanDerWaalsContact O-CG 3.29Å; A18-L22 WeakPolarHBondContact O-CG 3.46Å; A18-L22 PolarHBondContact O-N 3.23Å; D19-L22 PolarHBondContact O-N 2.9Å; L22-Q24 VanDerWaalsContact C-N 3.29Å; L22-I25 HydrophobicContact CD2-CD1 4.4Å; L22-L110 HydrophobicContact CD1-CD2 4.45Å; L22-L110 HydrophobicContact CD2-CD2 3.57Å; L22-L110 HydrophobicContact CG-CD2 3.66Å
23	A	97.9	Very high	97.1	Very high	80 Å²	80	45.8 Å²	45.8	66%	0.661	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-15.6	175.1	0	0	0	0	0	113.3	D19 W20 L21	D19-A23 WeakPolarHBondContact O-CB 3.25Å; D19-A23 PolarHBondContact O-N 3.45Å; W20-A23 PolarHBondContact O-N 2.91Å; L21-A23 PolarHBondContact O-N 3.11Å
24	Q	97.1	Very high	97.3	Very high	101 Å²	101	43.6 Å²	43.6	47%	0.472	23%	0.229	S	C	.	.	S	Bend	trans	-103.9	-2.6	-177.6	-56.8	-65.8	-24.1	0	0	113	W20 L21 L22 F52	W20-Q24 HydrophobicContact CD2-CG 4.47Å; W20-Q24 HydrophobicContact CH2-CG 4.47Å; W20-Q24 HydrophobicContact CZ2-CG 4.41Å; W20-Q24 VanDerWaalsContact O-CG 3.29Å; W20-Q24 WeakPolarHBondContact O-CG 3.38Å; L21-Q24 PolarHBondContact O-N 3.48Å; L22-Q24 VanDerWaalsContact C-N 3.29Å; Q24-F52 HydrophobicContact CB-CE1 3.73Å; Q24-F52 HydrophobicContact CB-CZ 3.48Å; Q24-F52 VanDerWaalsContact CB-CZ 3.48Å; Q24-F52 HydrophobicContact CG-CE1 4.12Å; Q24-F52 HydrophobicContact CG-CZ 4.32Å
25	I	96.3	Very high	97.3	Very high	6 Å²	6	43.6 Å²	43.6	3%	0.031	23%	0.229	C	C	.	.			trans	-133	140.4	-176.1	68.4	-176.9	0	0	0	111.5	L21 L22 M27 V50 F52 F74	L21-I25 WeakPolarHBondContact O-CG1 3.42Å; L21-I25 PolarHBondContact O-N 3.17Å; L22-I25 HydrophobicContact CD2-CD1 4.4Å; I25-M27 VanDerWaalsContact C-N 3.27Å; I25-M27 HydrophobicContact CB-CG 4.39Å; I25-M27 HydrophobicContact CD1-CG 4.41Å; I25-M27 PolarHBondContact O-N 3.45Å; I25-V50 HydrophobicContact CG2-CB 4.19Å; I25-V50 HydrophobicContact CG2-CG1 4.08Å; I25-F52 HydrophobicContact CG2-CE2 3.86Å; I25-F52 HydrophobicContact CG2-CZ 4Å; I25-F74 HydrophobicContact CD1-CD1 3.44Å; I25-F74 VanDerWaalsContact CD1-CD1 3.44Å; I25-F74 HydrophobicContact CD1-CE1 3.45Å; I25-F74 VanDerWaalsContact CD1-CE1 3.45Å; I25-F74 HydrophobicContact CD1-CG 4.08Å; I25-F74 HydrophobicContact CD1-CZ 4.13Å; I25-F74 HydrophobicContact CG2-CB 4.4Å; I25-F74 HydrophobicContact CG2-CD2 4.17Å; I25-F74 HydrophobicContact CG2-CG 4.11Å
26	D	94.1	Very high	96.8	Very high	180 Å²	180	40.4 Å²	40.4	96%	0.963	22%	0.216	S	C	*	.	S	Bend	trans	-93.1	29.5	176.5	-65.8	-41.2	0	0	0	112.6
27	M	94.3	Very high	96.2	Very high	40 Å²	40	38.7 Å²	38.7	20%	0.197	20%	0.201	C	C	.	.			trans	-140.1	168	178.7	59.5	166.3	42.7	0	0	112.8	I25 F74 T76 P81	I25-M27 VanDerWaalsContact C-N 3.27Å; I25-M27 HydrophobicContact CB-CG 4.39Å; I25-M27 HydrophobicContact CD1-CG 4.41Å; I25-M27 PolarHBondContact O-N 3.45Å; M27-F74 HydrophobicContact SD-CB 4.12Å; M27-T76 HydrophobicContact CE-CG2 3.67Å; M27-P81 HydrophobicContact CE-CB 4.45Å; M27-P81 HydrophobicContact SD-CB 4.4Å
28	R	96	Very high	95.3	Very high	141 Å²	141	39.7 Å²	39.7	53%	0.532	21%	0.212	S	C	.	.			trans	-125.7	105.2	173.1	-67.7	-65.1	-177.5	-90.5	3.7	108.6	T30 P81	R28-T30 PolarHBondContact O-N 2.9Å; R28-P81 WeakPolarHBondContact O-CB 3.25Å; R28-P81 WeakPolarHBondContact O-CG 3.42Å
29	P	97.6	Very high	94.7	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.006	21%	0.212	C	C	.	.			trans	-68.3	131.7	-177.2	29.5	-34.8	0	0	0	110.4	F74 P81 V83 L110 G111 V112	P29-F74 HydrophobicContact CG-CD1 4.34Å; P29-F74 HydrophobicContact CG-CE1 4.16Å; P29-P81 WeakPolarHBondContact CA-O 3.21Å; P29-V83 HydrophobicContact CB-CB 4.05Å; P29-V83 HydrophobicContact CB-CG1 3.87Å; P29-V83 HydrophobicContact CG-CB 4.28Å; P29-V83 HydrophobicContact CG-CG1 4.03Å; P29-L110 HydrophobicContact CG-CB 4.03Å; P29-G111 CarbonylContact O-C 3.5Å; P29-V112 HydrophobicContact CB-CG2 4.24Å; P29-V112 HydrophobicContact CG-CG2 4.15Å; P29-V112 PolarHBondContact O-N 2.93Å
30	T	97.8	Very high	94.1	Very high	50 Å²	50	37.1 Å²	37.1	31%	0.307	20%	0.202	S	C	.	.	S	Bend	trans	-100.5	-21.3	174.3	57.5	0	0	0	0	111.5	R28 P81 Q113 T114	R28-T30 PolarHBondContact O-N 2.9Å; T30-P81 HydrophobicContact CG2-CG 4.13Å; T30-P81 PolarHBondContact N-O 3.49Å; T30-P81 PolarHBondContact OG1-O 2.85Å; T30-Q113 PolarHBondContact O-N 2.79Å; T30-T114 PolarHBondContact O-N 2.83Å
31	V	98.4	Very high	93.7	Very high	2 Å²	2	34 Å²	34	1%	0.012	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	124.1	178.4	-175.2	0	0	0	0	110.8	I33 P81 C82 V83 T114 V116 V284 I287	V31-I33 HydrophobicContact CG1-CG1 4.24Å; V31-P81 PolarHBondContact N-O 2.81Å; V31-C82 CarbonylContact O-C 3.57Å; V31-C82 VanDerWaalsContact O-CA 3.23Å; V31-C82 WeakPolarHBondContact O-CA 3.46Å; V31-V83 PolarHBondContact O-N 3Å; V31-T114 CarbonylContact C-O 3.55Å; V31-T114 WeakPolarHBondContact CA-O 3.41Å; V31-V116 HydrophobicContact CG1-CG2 4.23Å; V31-V284 HydrophobicContact CG1-CG2 4.26Å; V31-I287 HydrophobicContact CG1-CD1 4.35Å; V31-I287 HydrophobicContact CG2-CD1 4.35Å
32	G	98.6	Very high	93.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	139.7	168	0	0	0	0	0	110	V83 V112 T114 V115 V116	G32-V83 CarbonylContact C-O 3.53Å; G32-V83 WeakPolarHBondContact CA-O 3.47Å; G32-V112 VanDerWaalsContact N-CG1 3.26Å; G32-T114 PolarHBondContact N-O 2.83Å; G32-V115 CarbonylContact O-C 3.59Å; G32-V115 VanDerWaalsContact O-CA 3.28Å; G32-V115 WeakPolarHBondContact O-CA 3.24Å; G32-V116 PolarHBondContact O-N 2.97Å
33	I	98.6	Very high	93.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	134.2	174.9	-53.9	174.5	0	0	0	107.5	V31 L42 M77 C82 V83 C84 M85 V116 V284	V31-I33 HydrophobicContact CG1-CG1 4.24Å; I33-L42 HydrophobicContact CG2-CD1 4.47Å; I33-M77 HydrophobicContact CD1-CE 3.73Å; I33-M77 HydrophobicContact CD1-SD 3.99Å; I33-C82 HydrophobicContact CD1-CB 4.48Å; I33-V83 PolarHBondContact N-O 3.14Å; I33-C84 VanDerWaalsContact C-SG 3.54Å; I33-C84 HydrophobicContact CB-CB 3.98Å; I33-C84 HydrophobicContact CG2-CB 4.41Å; I33-C84 VanDerWaalsContact CG2-SG 3.57Å; I33-C84 CarbonylContact O-C 3.36Å; I33-C84 VanDerWaalsContact O-CA 3.26Å; I33-C84 WeakPolarHBondContact O-CA 3.36Å; I33-C84 PolarHBondContact O-SG 2.91Å; I33-M85 PolarHBondContact O-N 3.27Å; I33-V116 CarbonylContact C-O 3.48Å; I33-V116 VanDerWaalsContact CA-O 3.32Å; I33-V116 WeakPolarHBondContact CA-O 3.44Å; I33-V116 HydrophobicContact CG1-CB 4.49Å; I33-V284 HydrophobicContact CD1-CG2 4.35Å
34	V	98.3	Very high	92.9	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	105.5	172.8	-171.8	0	0	0	0	108.3	G36 M85 R88 M104 V115 V116 I117 T118	V34-G36 PolarHBondContact O-N 3.37Å; V34-M85 HydrophobicContact CG1-CB 4.31Å; V34-M85 HydrophobicContact CG1-SD 4.46Å; V34-M85 HydrophobicContact CG2-SD 4.25Å; V34-R88 HydrophobicContact CG1-CB 3.95Å; V34-R88 VanDerWaalsContact CG1-NH2 3.29Å; V34-M104 HydrophobicContact CG2-CE 3.73Å; V34-V115 HydrophobicContact CG2-CG1 4.2Å; V34-V116 PolarHBondContact N-O 3.44Å; V34-I117 HydrophobicContact CB-CG1 4.44Å; V34-I117 HydrophobicContact CB-CG2 4.18Å; V34-I117 HydrophobicContact CG2-CG1 4.25Å; V34-T118 PolarHBondContact O-N 2.94Å; V34-T118 PolarHBondContact O-OG1 2.81Å
35	C	94.9	Very high	92.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	114.3	-177.4	-57.6	0	0	0	0	108.8	L42 C84 M85 G87	C35-L42 VanDerWaalsContact SG-CB 3.55Å; C35-C84 WeakPolarHBondContact CB-SG 3.47Å; C35-C84 PolarHBondContact N-SG 3.3Å; C35-C84 WeakPolarHBondContact SG-CB 3.45Å; C35-C84 CovalentContact SG-SG 2.09Å; C35-C84 PolarHBondContact SG-SG 3.07Å; C35-M85 WeakPolarHBondContact CB-O 3.33Å; C35-M85 PolarHBondContact N-O 2.82Å; C35-G87 PolarHBondContact O-N 3.02Å
36	G	87.3	Confident	92.8	Very high	5 Å²	5	31.5 Å²	31.5	5%	0.052	18%	0.175	C	C	.	.			trans	-81.1	-175.3	179.1	0	0	0	0	0	114.4	V34 G38 L39 T118	V34-G36 PolarHBondContact O-N 3.37Å; G36-G38 PolarHBondContact O-N 3.28Å; G36-L39 PolarHBondContact O-N 2.8Å; G36-T118 VanDerWaalsContact CA-O 3.28Å; G36-T118 WeakPolarHBondContact CA-O 3.26Å; G36-T118 PolarHBondContact N-O 3.23Å; G36-T118 PolarHBondContact N-OG1 2.9Å
37	S	83.4	Confident	93	Very high	15 Å²	15	29.9 Å²	29.9	11%	0.105	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	124.7	179.9	-49.6	0	0	0	0	111.9	L39 H68	S37-L39 PolarHBondContact O-N 2.96Å; S37-H68 PolarHBondContact OG-NE2 3.13Å
38	G	80.5	Confident	93	Very high	22 Å²	22	34.1 Å²	34.1	23%	0.227	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.5	1.3	-178.6	0	0	0	0	0	115.3	G36	G36-G38 PolarHBondContact O-N 3.28Å
39	L	84.8	Confident	93.1	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.01	18%	0.176	C	C	.	.			trans	-112.9	19.9	-177.1	-58.4	176.1	0	0	0	112.6	G36 S37 G41 L42 L245 M276	G36-L39 PolarHBondContact O-N 2.8Å; S37-L39 PolarHBondContact O-N 2.96Å; L39-G41 PolarHBondContact O-N 3.46Å; L39-L42 HydrophobicContact CB-CD1 4.37Å; L39-L42 PolarHBondContact O-N 3.26Å; L39-L245 HydrophobicContact CD2-CD2 4.25Å; L39-M276 HydrophobicContact CD1-CE 4.32Å; L39-M276 HydrophobicContact CD1-CG 4.31Å; L39-M276 HydrophobicContact CD2-CB 4.12Å; L39-M276 HydrophobicContact CD2-CG 3.99Å
40	G	86.2	Confident	93.1	Very high	18 Å²	18	33.9 Å²	33.9	19%	0.186	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-25.2	179.6	0	0	0	0	0	114.1	L42 A43 Q86	G40-L42 PolarHBondContact O-N 3.33Å; G40-L42 VanDerWaalsContact O-N 3.13Å; G40-A43 PolarHBondContact O-N 3.03Å; G40-A43 VanDerWaalsContact O-N 3.1Å; G40-Q86 PolarHBondContact O-NE2 2.77Å
41	G	89.8	Confident	93.1	Very high	19 Å²	19	33.9 Å²	33.9	20%	0.196	20%	0.196	C	C	.	.	H	α-helix	trans	-61.9	-18.8	-179.6	0	0	0	0	0	114.3	L39 A43 D44 L45 E277	L39-G41 PolarHBondContact O-N 3.46Å; G41-A43 PolarHBondContact O-N 3.45Å; G41-D44 WeakPolarHBondContact O-CA 3.33Å; G41-D44 WeakPolarHBondContact O-CB 3.39Å; G41-D44 PolarHBondContact O-N 2.78Å; G41-L45 PolarHBondContact O-N 3.43Å; G41-E277 VanDerWaalsContact C-OE1 3.27Å; G41-E277 VanDerWaalsContact CA-OE1 3.26Å; G41-E277 WeakPolarHBondContact CA-OE1 3.43Å
42	L	90.8	Very high	93.1	Very high	1 Å²	1	35 Å²	35	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-54.6	-36.9	170.6	-79.6	169.4	0	0	0	113.4	I33 C35 L39 G40 D44 L45 M77 T118 E277 V280	I33-L42 HydrophobicContact CG2-CD1 4.47Å; C35-L42 VanDerWaalsContact SG-CB 3.55Å; L39-L42 HydrophobicContact CB-CD1 4.37Å; L39-L42 PolarHBondContact O-N 3.26Å; G40-L42 PolarHBondContact O-N 3.33Å; G40-L42 VanDerWaalsContact O-N 3.13Å; L42-D44 VanDerWaalsContact C-N 3.29Å; L42-L45 PolarHBondContact O-N 2.94Å; L42-M77 WeakPolarHBondContact O-CE 3.26Å; L42-T118 HydrophobicContact CD1-CG2 3.88Å; L42-E277 HydrophobicContact CD2-CB 4.33Å; L42-E277 HydrophobicContact CD2-CG 3.88Å; L42-E277 HydrophobicContact CG-CG 4.04Å; L42-V280 HydrophobicContact CD1-CG2 4.4Å; L42-V280 HydrophobicContact CD2-CB 3.6Å; L42-V280 HydrophobicContact CD2-CG1 3.72Å; L42-V280 HydrophobicContact CD2-CG2 4.02Å
43	A	93.5	Very high	93	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-70	-30.1	176.9	0	0	0	0	0	111.7	G40 G41 L45 L46 Q49 V73 C84 Q86	G40-A43 PolarHBondContact O-N 3.03Å; G40-A43 VanDerWaalsContact O-N 3.1Å; G41-A43 PolarHBondContact O-N 3.45Å; A43-L45 PolarHBondContact O-N 2.81Å; A43-L46 WeakPolarHBondContact O-CB 3.26Å; A43-L46 WeakPolarHBondContact O-CG 3.25Å; A43-L46 PolarHBondContact O-N 3.26Å; A43-Q49 PolarHBondContact O-NE2 2.94Å; A43-Q49 VanDerWaalsContact O-NE2 3.16Å; A43-V73 HydrophobicContact CB-CB 4.23Å; A43-V73 HydrophobicContact CB-CG2 4.09Å; A43-C84 HydrophobicContact CB-CB 3.94Å; A43-Q86 HydrophobicContact CB-CB 4.06Å; A43-Q86 HydrophobicContact CB-CG 3.97Å
44	D	93.6	Very high	92.9	Very high	91 Å²	91	38.3 Å²	38.3	49%	0.487	22%	0.219	S	C	.	.	H	α-helix	trans	-73.5	-17.7	-178	-54.9	-30.6	0	0	0	111.9	G41 L42 L46 Q49 R71 Q86	G41-D44 WeakPolarHBondContact O-CA 3.33Å; G41-D44 WeakPolarHBondContact O-CB 3.39Å; G41-D44 PolarHBondContact O-N 2.78Å; L42-D44 VanDerWaalsContact C-N 3.29Å; D44-L46 PolarHBondContact O-N 3.32Å; D44-Q49 PolarHBondContact O-NE2 3.2Å; D44-R71 IonicContact OD1-NH2 3.62Å; D44-Q86 PolarHBondContact OD1-NE2 2.78Å
45	L	94.9	Very high	92.7	Very high	67 Å²	67	45.1 Å²	45.1	35%	0.351	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-14.4	171.8	-64.9	-172.7	0	0	0	114.3	G41 L42 A43 M77 E277	G41-L45 PolarHBondContact O-N 3.43Å; L42-L45 PolarHBondContact O-N 2.94Å; A43-L45 PolarHBondContact O-N 2.81Å; L45-M77 HydrophobicContact CB-CE 4.05Å; L45-E277 HydrophobicContact CD1-CB 3.81Å; L45-E277 HydrophobicContact CD1-CG 4.04Å; L45-E277 HydrophobicContact CG-CG 4.44Å
46	L	96.6	Very high	92.8	Very high	8 Å²	8	49.1 Å²	49.1	4%	0.042	27%	0.269	C	S	.	.			trans	-68.3	137	178.5	-66.4	173.4	0	0	0	110.3	A43 D44 Q49 V73 M77 C82	A43-L46 WeakPolarHBondContact O-CB 3.26Å; A43-L46 WeakPolarHBondContact O-CG 3.25Å; A43-L46 PolarHBondContact O-N 3.26Å; D44-L46 PolarHBondContact O-N 3.32Å; L46-Q49 HydrophobicContact CB-CG 3.88Å; L46-Q49 VanDerWaalsContact O-CG 3.26Å; L46-Q49 WeakPolarHBondContact O-CG 3.37Å; L46-Q49 PolarHBondContact O-NE2 3.5Å; L46-V73 HydrophobicContact CD1-CB 4.17Å; L46-V73 HydrophobicContact CD1-CG1 3.84Å; L46-V73 WeakPolarHBondContact CD1-O 3.46Å; L46-M77 HydrophobicContact CD2-CB 3.87Å; L46-M77 HydrophobicContact CD2-CE 3.89Å; L46-M77 HydrophobicContact CG-CE 4.35Å; L46-C82 HydrophobicContact CD2-CB 3.67Å
47	K	96.9	Very high	93.3	Very high	146 Å²	146	49.2 Å²	49.2	64%	0.635	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.5	158.6	168.9	-62.8	-174.9	177.3	-173.2	0	110.4	Q49 G75 T76	K47-Q49 VanDerWaalsContact C-N 3.32Å; K47-Q49 PolarHBondContact O-N 3.41Å; K47-G75 CarbonylContact O-C 3.59Å; K47-G75 WeakPolarHBondContact O-CA 3.4Å; K47-T76 PolarHBondContact N-O 3.29Å; K47-T76 PolarHBondContact O-N 2.93Å
48	D	95.3	Very high	93.7	Very high	128 Å²	128	50.8 Å²	50.8	68%	0.684	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	54.5	48.6	175.8	-46.3	-51.7	0	0	0	112
49	Q	96.9	Very high	94.1	Very high	82 Å²	82	52.7 Å²	52.7	38%	0.383	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	135.9	-167.4	-65.3	-177.1	8.9	0	0	112.9	A43 D44 L46 K47 V73 F74	A43-Q49 PolarHBondContact O-NE2 2.94Å; A43-Q49 VanDerWaalsContact O-NE2 3.16Å; D44-Q49 PolarHBondContact O-NE2 3.2Å; L46-Q49 HydrophobicContact CB-CG 3.88Å; L46-Q49 VanDerWaalsContact O-CG 3.26Å; L46-Q49 WeakPolarHBondContact O-CG 3.37Å; L46-Q49 PolarHBondContact O-NE2 3.5Å; K47-Q49 VanDerWaalsContact C-N 3.32Å; K47-Q49 PolarHBondContact O-N 3.41Å; Q49-V73 HydrophobicContact CB-CG1 4.19Å; Q49-V73 HydrophobicContact CG-CG1 4.06Å; Q49-F74 CarbonylContact C-O 3.48Å; Q49-F74 WeakPolarHBondContact CA-O 3.36Å
50	V	97.8	Very high	94.5	Very high	56 Å²	56	53 Å²	53	34%	0.339	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	116.4	160.6	-171.7	0	0	0	0	107.6	I25 F52 F74	I25-V50 HydrophobicContact CG2-CB 4.19Å; I25-V50 HydrophobicContact CG2-CG1 4.08Å; V50-F52 HydrophobicContact CB-CE2 4.44Å; V50-F52 HydrophobicContact CG1-CE1 4.42Å; V50-F52 HydrophobicContact CG1-CE2 3.65Å; V50-F52 HydrophobicContact CG1-CZ 3.54Å; V50-F74 HydrophobicContact CB-CB 4.42Å; V50-F74 PolarHBondContact N-O 3.47Å; V50-F74 PolarHBondContact O-N 3.06Å
51	A	97.6	Very high	94.6	Very high	49 Å²	49	52.2 Å²	52.2	41%	0.405	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	135.9	-173.4	0	0	0	0	0	111.7	L72 V73	A51-L72 WeakPolarHBondContact CA-O 3.26Å; A51-V73 HydrophobicContact CB-CG1 4.34Å; A51-V73 HydrophobicContact CB-CG2 4.1Å
52	F	97.8	Very high	94.6	Very high	26 Å²	26	56.6 Å²	56.6	11%	0.114	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	132.4	177.5	-55.4	-87.4	0	0	0	109.4	W20 L21 Q24 I25 V50 I57 R71 L72 F74	W20-F52 AromaticContact CH2-CD1 3.79Å; W20-F52 HydrophobicContact CH2-CD1 3.79Å; W20-F52 HydrophobicContact CH2-CE1 4.08Å; W20-F52 AromaticContact CZ3-CD1 3.9Å; W20-F52 HydrophobicContact CZ3-CD1 3.9Å; W20-F52 HydrophobicContact CZ3-CE1 4.16Å; W20-F52 HydrophobicContact CZ3-CG 4.45Å; L21-F52 HydrophobicContact CD2-CD2 4.08Å; L21-F52 HydrophobicContact CD2-CE2 4.29Å; L21-F52 HydrophobicContact CD2-CG 4.4Å; Q24-F52 HydrophobicContact CB-CE1 3.73Å; Q24-F52 HydrophobicContact CB-CZ 3.48Å; Q24-F52 VanDerWaalsContact CB-CZ 3.48Å; Q24-F52 HydrophobicContact CG-CE1 4.12Å; Q24-F52 HydrophobicContact CG-CZ 4.32Å; I25-F52 HydrophobicContact CG2-CE2 3.86Å; I25-F52 HydrophobicContact CG2-CZ 4Å; V50-F52 HydrophobicContact CB-CE2 4.44Å; V50-F52 HydrophobicContact CG1-CE1 4.42Å; V50-F52 HydrophobicContact CG1-CE2 3.65Å; V50-F52 HydrophobicContact CG1-CZ 3.54Å; F52-I57 HydrophobicContact CB-CD1 3.86Å; F52-I57 HydrophobicContact CB-CG1 3.78Å; F52-R71 CarbonylContact O-C 3.56Å; F52-R71 VanDerWaalsContact O-CA 3.27Å; F52-R71 WeakPolarHBondContact O-CA 3.47Å; F52-L72 PolarHBondContact N-O 3.18Å; F52-L72 PolarHBondContact O-N 2.8Å; F52-F74 AromaticContact CD2-CD2 3.83Å; F52-F74 HydrophobicContact CD2-CD2 3.83Å; F52-F74 AromaticContact CD2-CE2 3.69Å; F52-F74 HydrophobicContact CD2-CE2 3.69Å; F52-F74 AromaticContact CE2-CD2 3.65Å; F52-F74 HydrophobicContact CE2-CD2 3.65Å; F52-F74 AromaticContact CE2-CE2 3.7Å; F52-F74 HydrophobicContact CE2-CE2 3.7Å
53	N	97.1	Very high	94.2	Very high	67 Å²	67	57.9 Å²	57.9	36%	0.358	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	142.4	168.7	-48.7	-66.1	0	0	0	108.6	K55 D56	N53-K55 HydrophobicContact CB-CG 3.91Å; N53-K55 PolarHBondContact O-N 2.84Å; N53-K55 VanDerWaalsContact O-N 3.12Å; N53-D56 WeakPolarHBondContact CB-OD2 3.34Å; N53-D56 PolarHBondContact ND2-OD2 3.25Å; N53-D56 WeakPolarHBondContact O-CB 3.37Å; N53-D56 PolarHBondContact O-N 3.35Å
54	Y	96.6	Very high	93.7	Very high	3 Å²	3	62.8 Å²	62.8	1%	0.012	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-55.8	-35.2	-178.7	-66	-19.7	0	0	0	113.5	D56 I57 F60 P61 G70 R71 L72 M85 Q86 G87 F89	Y54-D56 PolarHBondContact O-N 3.21Å; Y54-I57 HydrophobicContact CD1-CD1 4.15Å; Y54-I57 PolarHBondContact O-N 3.38Å; Y54-F60 AromaticContact CD1-CD1 3.61Å; Y54-F60 HydrophobicContact CD1-CD1 3.61Å; Y54-F60 AromaticContact CD1-CE1 3.49Å; Y54-F60 HydrophobicContact CD1-CE1 3.49Å; Y54-F60 VanDerWaalsContact CD1-CE1 3.49Å; Y54-F60 HydrophobicContact CD2-CD1 4.49Å; Y54-F60 HydrophobicContact CE1-CD1 4.19Å; Y54-F60 AromaticContact CE1-CE1 3.59Å; Y54-F60 HydrophobicContact CE1-CE1 3.59Å; Y54-F60 HydrophobicContact CE1-CZ 4.48Å; Y54-F60 AromaticContact CG-CD1 3.78Å; Y54-F60 HydrophobicContact CG-CD1 3.78Å; Y54-F60 HydrophobicContact CG-CE1 4.01Å; Y54-P61 WeakPolarHBondContact CB-O 2.98Å; Y54-G70 VanDerWaalsContact CD2-C 3.44Å; Y54-G70 VanDerWaalsContact CE2-CA 3.49Å; Y54-G70 VanDerWaalsContact CG-O 3.29Å; Y54-G70 PolarHBondContact N-O 2.62Å; Y54-R71 VanDerWaalsContact CE1-O 3.3Å; Y54-R71 WeakPolarHBondContact CE1-O 3.27Å; Y54-R71 PolarHBondContact OH-O 2.75Å; Y54-L72 HydrophobicContact CD1-CB 4.24Å; Y54-L72 HydrophobicContact CE1-CB 3.87Å; Y54-L72 HydrophobicContact CE1-CD1 4.4Å; Y54-L72 VanDerWaalsContact CE1-N 3.3Å; Y54-M85 VanDerWaalsContact OH-CA 3.24Å; Y54-M85 WeakPolarHBondContact OH-CA 3.39Å; Y54-M85 VanDerWaalsContact OH-CB 3.26Å; Y54-M85 WeakPolarHBondContact OH-CB 3.28Å; Y54-Q86 PolarHBondContact OH-N 3.29Å; Y54-G87 WeakPolarHBondContact CE2-O 3.41Å; Y54-G87 PolarHBondContact OH-O 2.95Å; Y54-F89 AromaticContact CD2-CE1 3.57Å; Y54-F89 HydrophobicContact CD2-CE1 3.57Å; Y54-F89 AromaticContact CD2-CZ 3.49Å; Y54-F89 HydrophobicContact CD2-CZ 3.49Å; Y54-F89 VanDerWaalsContact CD2-CZ 3.49Å; Y54-F89 AromaticContact CE2-CE1 3.76Å; Y54-F89 HydrophobicContact CE2-CE1 3.76Å; Y54-F89 AromaticContact CE2-CZ 3.58Å; Y54-F89 HydrophobicContact CE2-CZ 3.58Å; Y54-F89 HydrophobicContact CG-CZ 4.16Å
55	K	95.3	Very high	93.2	Very high	142 Å²	142	59.5 Å²	59.5	62%	0.617	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-61.9	-22.8	176.5	64.6	171.7	-170.3	178.9	0	114.2	N53	N53-K55 HydrophobicContact CB-CG 3.91Å; N53-K55 PolarHBondContact O-N 2.84Å; N53-K55 VanDerWaalsContact O-N 3.12Å
56	D	96.2	Very high	92.1	Very high	84 Å²	84	63 Å²	63	45%	0.449	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-95.5	-8.5	-177.1	-54.3	-40.6	0	0	0	111.2	N53 Y54	N53-D56 WeakPolarHBondContact CB-OD2 3.34Å; N53-D56 PolarHBondContact ND2-OD2 3.25Å; N53-D56 WeakPolarHBondContact O-CB 3.37Å; N53-D56 PolarHBondContact O-N 3.35Å; Y54-D56 PolarHBondContact O-N 3.21Å
57	I	97	Very high	90.9	Very high	7 Å²	7	64.8 Å²	64.8	4%	0.036	35%	0.349	C	S	.	.	S	Bend	trans	-92.2	125.8	179.5	-55.1	171.6	0	0	0	109	T17 W20 L21 F52 Y54 N59 F60 L72	T17-I57 HydrophobicContact CG2-CG2 3.55Å; W20-I57 HydrophobicContact CZ3-CG1 4.24Å; W20-I57 HydrophobicContact CZ3-CG2 4.47Å; L21-I57 HydrophobicContact CD1-CG2 4.42Å; L21-I57 HydrophobicContact CD2-CD1 4.39Å; L21-I57 HydrophobicContact CD2-CG1 4.43Å; L21-I57 HydrophobicContact CD2-CG2 4.29Å; L21-I57 HydrophobicContact CG-CG2 4.43Å; F52-I57 HydrophobicContact CB-CD1 3.86Å; F52-I57 HydrophobicContact CB-CG1 3.78Å; Y54-I57 HydrophobicContact CD1-CD1 4.15Å; Y54-I57 PolarHBondContact O-N 3.38Å; I57-N59 PolarHBondContact O-N 2.86Å; I57-F60 HydrophobicContact CB-CB 3.72Å; I57-F60 HydrophobicContact CB-CD2 4.35Å; I57-F60 HydrophobicContact CB-CG 4.08Å; I57-F60 HydrophobicContact CD1-CD1 4.34Å; I57-F60 HydrophobicContact CD1-CG 4.3Å; I57-F60 HydrophobicContact CG2-CB 3.84Å; I57-F60 HydrophobicContact CG2-CD2 3.71Å; I57-F60 HydrophobicContact CG2-CE2 4.5Å; I57-F60 HydrophobicContact CG2-CG 3.95Å; I57-F60 WeakPolarHBondContact O-CB 3.46Å; I57-F60 PolarHBondContact O-N 3.15Å; I57-L72 HydrophobicContact CD1-CB 3.68Å; I57-L72 HydrophobicContact CD1-CD2 3.93Å; I57-L72 HydrophobicContact CD1-CG 4.47Å
58	P	92.9	Very high	90.2	Very high	48 Å²	48	58.7 Å²	58.7	31%	0.312	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	138.2	177.7	-25.4	34.1	0	0	0	112.3	T17 W20 F60	T17-P58 VanDerWaalsContact CG2-O 3.23Å; T17-P58 WeakPolarHBondContact CG2-O 3.28Å; T17-P58 PolarHBondContact OG1-O 3.41Å; W20-P58 HydrophobicContact CB-CG 4.35Å; W20-P58 HydrophobicContact CD2-CG 4Å; W20-P58 HydrophobicContact CG-CG 3.9Å; P58-F60 PolarHBondContact O-N 3.11Å
59	N	89.4	Confident	89.8	Confident	62 Å²	62	55.4 Å²	55.4	33%	0.332	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.8	1.7	177.5	-51.5	-41.1	0	0	0	116.1	L9 D13 T17 I57 L102	L9-N59 HydrophobicContact CD1-CB 4.11Å; L9-N59 WeakPolarHBondContact CD1-O 3.41Å; L9-N59 HydrophobicContact CD2-CB 4.07Å; D13-N59 PolarHBondContact O-ND2 3.36Å; T17-N59 PolarHBondContact OG1-ND2 2.71Å; I57-N59 PolarHBondContact O-N 2.86Å; N59-L102 WeakPolarHBondContact O-CD2 3.42Å
60	F	92.1	Very high	89.6	Confident	10 Å²	10	52 Å²	52	4%	0.044	30%	0.3	C	S	.	.			trans	-78.4	142.8	-174.9	-135.5	-102.7	0	0	0	111.3	T17 Y54 I57 P58 L72 F89 P103 I106	T17-F60 HydrophobicContact CG2-CD2 4.18Å; Y54-F60 AromaticContact CD1-CD1 3.61Å; Y54-F60 HydrophobicContact CD1-CD1 3.61Å; Y54-F60 AromaticContact CD1-CE1 3.49Å; Y54-F60 HydrophobicContact CD1-CE1 3.49Å; Y54-F60 VanDerWaalsContact CD1-CE1 3.49Å; Y54-F60 HydrophobicContact CD2-CD1 4.49Å; Y54-F60 HydrophobicContact CE1-CD1 4.19Å; Y54-F60 AromaticContact CE1-CE1 3.59Å; Y54-F60 HydrophobicContact CE1-CE1 3.59Å; Y54-F60 HydrophobicContact CE1-CZ 4.48Å; Y54-F60 AromaticContact CG-CD1 3.78Å; Y54-F60 HydrophobicContact CG-CD1 3.78Å; Y54-F60 HydrophobicContact CG-CE1 4.01Å; I57-F60 HydrophobicContact CB-CB 3.72Å; I57-F60 HydrophobicContact CB-CD2 4.35Å; I57-F60 HydrophobicContact CB-CG 4.08Å; I57-F60 HydrophobicContact CD1-CD1 4.34Å; I57-F60 HydrophobicContact CD1-CG 4.3Å; I57-F60 HydrophobicContact CG2-CB 3.84Å; I57-F60 HydrophobicContact CG2-CD2 3.71Å; I57-F60 HydrophobicContact CG2-CE2 4.5Å; I57-F60 HydrophobicContact CG2-CG 3.95Å; I57-F60 WeakPolarHBondContact O-CB 3.46Å; I57-F60 PolarHBondContact O-N 3.15Å; P58-F60 PolarHBondContact O-N 3.11Å; F60-L72 HydrophobicContact CZ-CD1 4.4Å; F60-L72 HydrophobicContact CZ-CD2 4.3Å; F60-F89 HydrophobicContact CD1-CE2 4.31Å; F60-F89 AromaticContact CD1-CZ 3.92Å; F60-F89 HydrophobicContact CD1-CZ 3.92Å; F60-F89 HydrophobicContact CE1-CE2 4.02Å; F60-F89 AromaticContact CE1-CZ 3.89Å; F60-F89 HydrophobicContact CE1-CZ 3.89Å; F60-P103 HydrophobicContact CE1-CG 4.12Å; F60-P103 HydrophobicContact CE2-CB 4.37Å; F60-P103 HydrophobicContact CE2-CG 4.25Å; F60-P103 HydrophobicContact CZ-CB 3.87Å; F60-P103 HydrophobicContact CZ-CG 3.69Å; F60-I106 HydrophobicContact CD2-CD1 3.7Å; F60-I106 HydrophobicContact CE2-CD1 3.53Å
61	P	89.3	Confident	89.6	Confident	1 Å²	1	53 Å²	53	1%	0.006	30%	0.298	C	S	.	.			trans	-69	162.6	173.8	-10.7	26.1	0	0	0	111.3	Y54 F89 R99	Y54-P61 WeakPolarHBondContact CB-O 2.98Å; P61-F89 HydrophobicContact CB-CD1 3.86Å; P61-F89 HydrophobicContact CB-CD2 3.91Å; P61-F89 HydrophobicContact CB-CE1 3.74Å; P61-F89 HydrophobicContact CB-CE2 3.78Å; P61-F89 HydrophobicContact CB-CG 3.93Å; P61-F89 HydrophobicContact CB-CZ 3.69Å; P61-F89 HydrophobicContact CG-CD2 3.8Å; P61-F89 HydrophobicContact CG-CE1 4.46Å; P61-F89 HydrophobicContact CG-CE2 3.58Å; P61-F89 HydrophobicContact CG-CG 4.31Å; P61-F89 HydrophobicContact CG-CZ 3.95Å; P61-F89 VanDerWaalsContact O-CE1 3.31Å; P61-F89 WeakPolarHBondContact O-CE1 3.4Å; P61-F89 VanDerWaalsContact O-CZ 3.25Å; P61-F89 WeakPolarHBondContact O-CZ 3.46Å; P61-R99 HydrophobicContact CB-CG 4.2Å; P61-R99 HydrophobicContact CG-CG 3.85Å; P61-R99 WeakPolarHBondContact CG-O 3.42Å
62	Q	88.2	Confident	89.6	Confident	110 Å²	110	50.6 Å²	50.6	51%	0.514	28%	0.279	S	S	.	.			trans	-106.7	146	174.9	-63.3	-176.7	16.7	0	0	109.6	F89 Y95	Q62-F89 VanDerWaalsContact C-CE1 3.5Å; Q62-F89 WeakPolarHBondContact O-CD1 3.47Å; Q62-Y95 PolarHBondContact N-OH 3.49Å; Q62-Y95 WeakPolarHBondContact O-CE2 3.05Å; Q62-Y95 PolarHBondContact O-OH 3.4Å
63	S	82.6	Confident	89.6	Confident	28 Å²	28	49.4 Å²	49.4	20%	0.196	27%	0.273	C	S	.	.			trans	-92.5	131.3	175.7	-170.2	0	0	0	0	109	H68 R88	S63-H68 WeakPolarHBondContact OG-CB 3.2Å; S63-R88 PolarHBondContact OG-O 3.14Å
64	T	84.6	Confident	89.7	Confident	103 Å²	103	46.2 Å²	46.2	63%	0.632	26%	0.256	S	S	*	.			trans	-113.3	-12.1	178.8	63	0	0	0	0	112.9	E93	T64-E93 WeakPolarHBondContact CA-OE1 3.49Å; T64-E93 PolarHBondContact N-OE1 3.39Å; T64-E93 PolarHBondContact OG1-OE1 3.42Å
65	V	81.1	Confident	89.7	Confident	22 Å²	22	46.1 Å²	46.1	13%	0.133	26%	0.256	C	S	.	.	S	Bend	trans	-72.3	134.3	177.4	176	0	0	0	0	112.2	H68 Y92 E93	V65-H68 WeakPolarHBondContact O-CB 3.18Å; V65-H68 PolarHBondContact O-N 3.41Å; V65-Y92 HydrophobicContact CG2-CE2 3.56Å; V65-E93 HydrophobicContact CG2-CG 3.8Å; V65-E93 PolarHBondContact N-OE1 2.95Å
66	H	73.9	Confident	89.9	Confident	140 Å²	140	40.8 Å²	40.8	65%	0.648	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.6	139	173.4	-175.6	-94	0	0	0	111.6	H68	H66-H68 VanDerWaalsContact C-N 3.33Å
67	G	71.2	Confident	89.9	Confident	46 Å²	46	37 Å²	37	47%	0.474	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	87	-3.7	-174.9	0	0	0	0	0	114.8
68	H	81.3	Confident	89.7	Confident	18 Å²	18	42.9 Å²	42.9	8%	0.083	24%	0.24	C	C	.	.			trans	-100.8	110.9	171.4	-71.5	-127.8	0	0	0	109.3	S37 S63 V65 H66 G70 G87 R88 H90	S37-H68 PolarHBondContact OG-NE2 3.13Å; S63-H68 WeakPolarHBondContact OG-CB 3.2Å; V65-H68 WeakPolarHBondContact O-CB 3.18Å; V65-H68 PolarHBondContact O-N 3.41Å; H66-H68 VanDerWaalsContact C-N 3.33Å; H68-G70 PolarHBondContact O-N 3.11Å; H68-G87 WeakPolarHBondContact ND1-CA 3.45Å; H68-R88 PolarHBondContact CE1-N 3.35Å; H68-R88 PolarHBondContact ND1-N 2.9Å; H68-R88 PolarHBondContact ND1-O 3.1Å; H68-H90 AromaticContact CE1-CE1 3.34Å; H68-H90 PolarHBondContact CE1-CE1 3.38Å; H68-H90 AromaticContact CE1-NE2 3.99Å; H68-H90 AromaticContact NE2-CE1 3.76Å
69	A	86.6	Confident	89.7	Confident	59 Å²	59	43.8 Å²	43.8	49%	0.488	26%	0.258	S	S	.	.			trans	-65.8	-25.3	-176.5	0	0	0	0	0	113	R71 Q86	A69-R71 HydrophobicContact CB-CG 4.43Å; A69-Q86 HydrophobicContact CB-CB 4.49Å; A69-Q86 HydrophobicContact CB-CG 4.06Å; A69-Q86 PolarHBondContact N-O 3.28Å
70	G	93.6	Very high	90	Very high	11 Å²	11	42.6 Å²	42.6	11%	0.113	25%	0.25	C	S	.	.			trans	74.7	40.9	177	0	0	0	0	0	112.8	Y54 H68 Q86	Y54-G70 VanDerWaalsContact CD2-C 3.44Å; Y54-G70 VanDerWaalsContact CE2-CA 3.49Å; Y54-G70 VanDerWaalsContact CG-O 3.29Å; Y54-G70 PolarHBondContact N-O 2.62Å; H68-G70 PolarHBondContact O-N 3.11Å; G70-Q86 PolarHBondContact N-O 3.43Å
71	R	96.5	Very high	90.2	Very high	76 Å²	76	43.7 Å²	43.7	29%	0.287	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	142	-177.3	-56.7	-171.5	-62.4	171.7	1.9	112	D44 F52 Y54 A69 V73 Q86	D44-R71 IonicContact OD1-NH2 3.62Å; F52-R71 CarbonylContact O-C 3.56Å; F52-R71 VanDerWaalsContact O-CA 3.27Å; F52-R71 WeakPolarHBondContact O-CA 3.47Å; Y54-R71 VanDerWaalsContact CE1-O 3.3Å; Y54-R71 WeakPolarHBondContact CE1-O 3.27Å; Y54-R71 PolarHBondContact OH-O 2.75Å; A69-R71 HydrophobicContact CB-CG 4.43Å; R71-V73 HydrophobicContact CB-CG2 4.19Å; R71-Q86 HydrophobicContact CB-CB 4.42Å; R71-Q86 PolarHBondContact N-O 2.96Å; R71-Q86 WeakPolarHBondContact O-CB 3.37Å; R71-Q86 PolarHBondContact O-N 3.2Å
72	L	98.1	Very high	90.7	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	116.5	167.9	-162.5	66.1	0	0	0	108.3	L21 A51 F52 Y54 I57 F60 F74 V83 M85 F107	L21-L72 HydrophobicContact CD1-CD2 3.89Å; L21-L72 HydrophobicContact CD2-CD2 4.13Å; A51-L72 WeakPolarHBondContact CA-O 3.26Å; F52-L72 PolarHBondContact N-O 3.18Å; F52-L72 PolarHBondContact O-N 2.8Å; Y54-L72 HydrophobicContact CD1-CB 4.24Å; Y54-L72 HydrophobicContact CE1-CB 3.87Å; Y54-L72 HydrophobicContact CE1-CD1 4.4Å; Y54-L72 VanDerWaalsContact CE1-N 3.3Å; I57-L72 HydrophobicContact CD1-CB 3.68Å; I57-L72 HydrophobicContact CD1-CD2 3.93Å; I57-L72 HydrophobicContact CD1-CG 4.47Å; F60-L72 HydrophobicContact CZ-CD1 4.4Å; F60-L72 HydrophobicContact CZ-CD2 4.3Å; L72-F74 HydrophobicContact CD2-CE2 3.74Å; L72-F74 HydrophobicContact CD2-CZ 3.77Å; L72-F74 HydrophobicContact CG-CE2 3.88Å; L72-F74 HydrophobicContact CG-CZ 4.21Å; L72-V83 HydrophobicContact CD1-CG2 3.64Å; L72-V83 HydrophobicContact CD2-CG2 4.19Å; L72-V83 HydrophobicContact CG-CG2 3.7Å; L72-M85 HydrophobicContact CD1-CG 3.67Å; L72-F107 HydrophobicContact CD1-CE1 4Å; L72-F107 HydrophobicContact CD1-CZ 4.21Å
73	V	98.4	Very high	91.2	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.006	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	117.6	-172.6	-170.9	0	0	0	0	109.5	A43 L46 Q49 A51 R71 V83 C84	A43-V73 HydrophobicContact CB-CB 4.23Å; A43-V73 HydrophobicContact CB-CG2 4.09Å; L46-V73 HydrophobicContact CD1-CB 4.17Å; L46-V73 HydrophobicContact CD1-CG1 3.84Å; L46-V73 WeakPolarHBondContact CD1-O 3.46Å; Q49-V73 HydrophobicContact CB-CG1 4.19Å; Q49-V73 HydrophobicContact CG-CG1 4.06Å; A51-V73 HydrophobicContact CB-CG1 4.34Å; A51-V73 HydrophobicContact CB-CG2 4.1Å; R71-V73 HydrophobicContact CB-CG2 4.19Å; V73-V83 CarbonylContact O-C 3.51Å; V73-V83 WeakPolarHBondContact O-CA 3.46Å; V73-C84 PolarHBondContact N-O 3.06Å; V73-C84 PolarHBondContact O-N 3.16Å
74	F	98.6	Very high	91.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	149.7	172	-62.6	-97.1	0	0	0	109.4	L21 I25 M27 P29 Q49 V50 F52 L72 C82 V83 L110	L21-F74 HydrophobicContact CB-CZ 4.35Å; L21-F74 HydrophobicContact CD1-CZ 4.31Å; L21-F74 HydrophobicContact CD2-CE2 3.96Å; L21-F74 HydrophobicContact CD2-CZ 4.06Å; L21-F74 HydrophobicContact CG-CZ 4.48Å; I25-F74 HydrophobicContact CD1-CD1 3.44Å; I25-F74 VanDerWaalsContact CD1-CD1 3.44Å; I25-F74 HydrophobicContact CD1-CE1 3.45Å; I25-F74 VanDerWaalsContact CD1-CE1 3.45Å; I25-F74 HydrophobicContact CD1-CG 4.08Å; I25-F74 HydrophobicContact CD1-CZ 4.13Å; I25-F74 HydrophobicContact CG2-CB 4.4Å; I25-F74 HydrophobicContact CG2-CD2 4.17Å; I25-F74 HydrophobicContact CG2-CG 4.11Å; M27-F74 HydrophobicContact SD-CB 4.12Å; P29-F74 HydrophobicContact CG-CD1 4.34Å; P29-F74 HydrophobicContact CG-CE1 4.16Å; Q49-F74 CarbonylContact C-O 3.48Å; Q49-F74 WeakPolarHBondContact CA-O 3.36Å; V50-F74 HydrophobicContact CB-CB 4.42Å; V50-F74 PolarHBondContact N-O 3.47Å; V50-F74 PolarHBondContact O-N 3.06Å; F52-F74 AromaticContact CD2-CD2 3.83Å; F52-F74 HydrophobicContact CD2-CD2 3.83Å; F52-F74 AromaticContact CD2-CE2 3.69Å; F52-F74 HydrophobicContact CD2-CE2 3.69Å; F52-F74 AromaticContact CE2-CD2 3.65Å; F52-F74 HydrophobicContact CE2-CD2 3.65Å; F52-F74 AromaticContact CE2-CE2 3.7Å; F52-F74 HydrophobicContact CE2-CE2 3.7Å; L72-F74 HydrophobicContact CD2-CE2 3.74Å; L72-F74 HydrophobicContact CD2-CZ 3.77Å; L72-F74 HydrophobicContact CG-CE2 3.88Å; L72-F74 HydrophobicContact CG-CZ 4.21Å; F74-C82 WeakPolarHBondContact CA-O 3.44Å; F74-V83 HydrophobicContact CD1-CB 3.84Å; F74-V83 HydrophobicContact CD1-CG2 3.87Å; F74-V83 HydrophobicContact CD2-CG2 4.4Å; F74-V83 HydrophobicContact CE1-CB 3.81Å; F74-V83 HydrophobicContact CE1-CG2 3.56Å; F74-V83 HydrophobicContact CE2-CG2 4.11Å; F74-V83 HydrophobicContact CG-CG2 4.29Å; F74-V83 HydrophobicContact CZ-CB 4.44Å; F74-V83 HydrophobicContact CZ-CG2 3.69Å; F74-L110 HydrophobicContact CE1-CD1 4.04Å; F74-L110 HydrophobicContact CZ-CD1 4.14Å
75	G	98.1	Very high	92.5	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.4	-168.4	174.6	0	0	0	0	0	111.3	K47 C82	K47-G75 CarbonylContact O-C 3.59Å; K47-G75 WeakPolarHBondContact O-CA 3.4Å; G75-C82 PolarHBondContact N-O 2.88Å; G75-C82 VanDerWaalsContact N-O 3.11Å; G75-C82 PolarHBondContact O-N 2.86Å
76	T	97.6	Very high	93.2	Very high	31 Å²	31	31.7 Å²	31.7	19%	0.19	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	132.8	177.1	66.5	0	0	0	0	112	M27 K47 K80	M27-T76 HydrophobicContact CE-CG2 3.67Å; K47-T76 PolarHBondContact N-O 3.29Å; K47-T76 PolarHBondContact O-N 2.93Å; T76-K80 CarbonylContact C-O 3.54Å; T76-K80 VanDerWaalsContact CA-O 3.26Å; T76-K80 WeakPolarHBondContact CA-O 3.18Å
77	M	96.3	Very high	94	Very high	4 Å²	4	25.1 Å²	25.1	2%	0.02	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	112.7	170.9	-169	169.2	-69.9	0	0	108.6	I33 L42 L45 L46 G79 K80 V284	I33-M77 HydrophobicContact CD1-CE 3.73Å; I33-M77 HydrophobicContact CD1-SD 3.99Å; L42-M77 WeakPolarHBondContact O-CE 3.26Å; L45-M77 HydrophobicContact CB-CE 4.05Å; L46-M77 HydrophobicContact CD2-CB 3.87Å; L46-M77 HydrophobicContact CD2-CE 3.89Å; L46-M77 HydrophobicContact CG-CE 4.35Å; M77-G79 PolarHBondContact O-N 2.78Å; M77-G79 VanDerWaalsContact O-N 3.17Å; M77-K80 PolarHBondContact N-O 3.22Å; M77-K80 PolarHBondContact O-N 3.25Å; M77-V284 HydrophobicContact CB-CG1 4.05Å; M77-V284 HydrophobicContact CG-CB 4.46Å; M77-V284 HydrophobicContact CG-CG1 4.16Å; M77-V284 HydrophobicContact SD-CB 4.07Å; M77-V284 HydrophobicContact SD-CG1 4.21Å; M77-V284 HydrophobicContact SD-CG2 4.05Å
78	K	93.6	Very high	95.1	Very high	131 Å²	131	23 Å²	23	57%	0.57	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.3	40.2	-178.2	-57.6	-73.2	-172.1	174.5	0	112.5	K80 N285	K78-K80 VanDerWaalsContact C-N 3.32Å; K78-K80 PolarHBondContact O-N 3.24Å; K78-N285 HydrophobicContact CB-CB 3.8Å; K78-N285 WeakPolarHBondContact CB-OD1 3.35Å; K78-N285 HydrophobicContact CG-CB 4Å
79	G	92.5	Very high	95.7	Very high	66 Å²	66	22.3 Å²	22.3	68%	0.68	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.5	-4.9	-179.9	0	0	0	0	0	115.4	M77	M77-G79 PolarHBondContact O-N 2.78Å; M77-G79 VanDerWaalsContact O-N 3.17Å
80	K	95.6	Very high	96.2	Very high	38 Å²	38	19.8 Å²	19.8	17%	0.165	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	133.7	176.8	-60	-167.6	-170	175.2	0	111.4	T76 M77 K78 C82 V284 N285 I287	T76-K80 CarbonylContact C-O 3.54Å; T76-K80 VanDerWaalsContact CA-O 3.26Å; T76-K80 WeakPolarHBondContact CA-O 3.18Å; M77-K80 PolarHBondContact N-O 3.22Å; M77-K80 PolarHBondContact O-N 3.25Å; K78-K80 VanDerWaalsContact C-N 3.32Å; K78-K80 PolarHBondContact O-N 3.24Å; K80-C82 PolarHBondContact O-N 2.78Å; K80-C82 PolarHBondContact O-SG 3.39Å; K80-C82 VanDerWaalsContact O-SG 3.4Å; K80-V284 HydrophobicContact CB-CG1 4.29Å; K80-V284 HydrophobicContact CD-CG1 4.36Å; K80-V284 WeakPolarHBondContact CD-O 3.45Å; K80-V284 WeakPolarHBondContact CE-O 3.39Å; K80-V284 PolarHBondContact NZ-O 2.83Å; K80-N285 WeakPolarHBondContact CE-O 3.47Å; K80-N285 PolarHBondContact NZ-O 3.33Å; K80-I287 VanDerWaalsContact NZ-C 3.31Å; K80-I287 PolarHBondContact NZ-O 3.12Å
81	P	97.4	Very high	96.3	Very high	33 Å²	33	20.2 Å²	20.2	21%	0.214	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	124.4	177.5	31.6	-34.4	0	0	0	109.6	M27 R28 P29 T30 V31	M27-P81 HydrophobicContact CE-CB 4.45Å; M27-P81 HydrophobicContact SD-CB 4.4Å; R28-P81 WeakPolarHBondContact O-CB 3.25Å; R28-P81 WeakPolarHBondContact O-CG 3.42Å; P29-P81 WeakPolarHBondContact CA-O 3.21Å; T30-P81 HydrophobicContact CG2-CG 4.13Å; T30-P81 PolarHBondContact N-O 3.49Å; T30-P81 PolarHBondContact OG1-O 2.85Å; V31-P81 PolarHBondContact N-O 2.81Å
82	C	98.3	Very high	96.2	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	158.3	-172.8	-65.5	0	0	0	0	111.4	V31 I33 L46 F74 G75 K80	V31-C82 CarbonylContact O-C 3.57Å; V31-C82 VanDerWaalsContact O-CA 3.23Å; V31-C82 WeakPolarHBondContact O-CA 3.46Å; I33-C82 HydrophobicContact CD1-CB 4.48Å; L46-C82 HydrophobicContact CD2-CB 3.67Å; F74-C82 WeakPolarHBondContact CA-O 3.44Å; G75-C82 PolarHBondContact N-O 2.88Å; G75-C82 VanDerWaalsContact N-O 3.11Å; G75-C82 PolarHBondContact O-N 2.86Å; K80-C82 PolarHBondContact O-N 2.78Å; K80-C82 PolarHBondContact O-SG 3.39Å; K80-C82 VanDerWaalsContact O-SG 3.4Å
83	V	98.6	Very high	96.1	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	119.5	164.8	57.3	0	0	0	0	108.6	P29 V31 G32 I33 L72 V73 F74 F107 V112	P29-V83 HydrophobicContact CB-CB 4.05Å; P29-V83 HydrophobicContact CB-CG1 3.87Å; P29-V83 HydrophobicContact CG-CB 4.28Å; P29-V83 HydrophobicContact CG-CG1 4.03Å; V31-V83 PolarHBondContact O-N 3Å; G32-V83 CarbonylContact C-O 3.53Å; G32-V83 WeakPolarHBondContact CA-O 3.47Å; I33-V83 PolarHBondContact N-O 3.14Å; L72-V83 HydrophobicContact CD1-CG2 3.64Å; L72-V83 HydrophobicContact CD2-CG2 4.19Å; L72-V83 HydrophobicContact CG-CG2 3.7Å; V73-V83 CarbonylContact O-C 3.51Å; V73-V83 WeakPolarHBondContact O-CA 3.46Å; F74-V83 HydrophobicContact CD1-CB 3.84Å; F74-V83 HydrophobicContact CD1-CG2 3.87Å; F74-V83 HydrophobicContact CD2-CG2 4.4Å; F74-V83 HydrophobicContact CE1-CB 3.81Å; F74-V83 HydrophobicContact CE1-CG2 3.56Å; F74-V83 HydrophobicContact CE2-CG2 4.11Å; F74-V83 HydrophobicContact CG-CG2 4.29Å; F74-V83 HydrophobicContact CZ-CB 4.44Å; F74-V83 HydrophobicContact CZ-CG2 3.69Å; V83-F107 HydrophobicContact CB-CE1 4.46Å; V83-F107 HydrophobicContact CG1-CD1 4.05Å; V83-F107 HydrophobicContact CG1-CE1 3.69Å; V83-F107 HydrophobicContact CG1-CE2 4.25Å; V83-F107 HydrophobicContact CG1-CG 4.45Å; V83-F107 HydrophobicContact CG1-CZ 3.78Å; V83-F107 HydrophobicContact CG2-CE1 3.88Å; V83-F107 HydrophobicContact CG2-CZ 4.13Å; V83-V112 HydrophobicContact CG1-CG2 3.92Å
84	C	98.2	Very high	95.8	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	133.3	167.5	-159.6	0	0	0	0	111.9	I33 C35 A43 V73 Q86	I33-C84 VanDerWaalsContact C-SG 3.54Å; I33-C84 HydrophobicContact CB-CB 3.98Å; I33-C84 HydrophobicContact CG2-CB 4.41Å; I33-C84 VanDerWaalsContact CG2-SG 3.57Å; I33-C84 CarbonylContact O-C 3.36Å; I33-C84 VanDerWaalsContact O-CA 3.26Å; I33-C84 WeakPolarHBondContact O-CA 3.36Å; I33-C84 PolarHBondContact O-SG 2.91Å; C35-C84 WeakPolarHBondContact CB-SG 3.47Å; C35-C84 PolarHBondContact N-SG 3.3Å; C35-C84 WeakPolarHBondContact SG-CB 3.45Å; C35-C84 CovalentContact SG-SG 2.09Å; C35-C84 PolarHBondContact SG-SG 3.07Å; A43-C84 HydrophobicContact CB-CB 3.94Å; V73-C84 PolarHBondContact N-O 3.06Å; V73-C84 PolarHBondContact O-N 3.16Å; C84-Q86 PolarHBondContact O-N 3.33Å
85	M	97.8	Very high	95.5	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	103.7	154.3	-76.3	179.1	72.8	0	0	110.1	I33 V34 C35 Y54 L72 G87 F89 P103 M104 F107	I33-M85 PolarHBondContact O-N 3.27Å; V34-M85 HydrophobicContact CG1-CB 4.31Å; V34-M85 HydrophobicContact CG1-SD 4.46Å; V34-M85 HydrophobicContact CG2-SD 4.25Å; C35-M85 WeakPolarHBondContact CB-O 3.33Å; C35-M85 PolarHBondContact N-O 2.82Å; Y54-M85 VanDerWaalsContact OH-CA 3.24Å; Y54-M85 WeakPolarHBondContact OH-CA 3.39Å; Y54-M85 VanDerWaalsContact OH-CB 3.26Å; Y54-M85 WeakPolarHBondContact OH-CB 3.28Å; L72-M85 HydrophobicContact CD1-CG 3.67Å; M85-G87 VanDerWaalsContact C-N 3.31Å; M85-G87 PolarHBondContact O-N 2.82Å; M85-F89 HydrophobicContact CE-CD2 4.09Å; M85-F89 HydrophobicContact CE-CE2 3.68Å; M85-F89 HydrophobicContact CE-CZ 4.38Å; M85-P103 HydrophobicContact CE-CB 3.88Å; M85-P103 HydrophobicContact CE-CG 3.57Å; M85-P103 HydrophobicContact SD-CB 3.33Å; M85-P103 WeakPolarHBondContact SD-CB 3.47Å; M85-P103 HydrophobicContact SD-CG 3.78Å; M85-M104 HydrophobicContact SD-CE 4.21Å; M85-F107 HydrophobicContact CG-CE1 4.5Å; M85-F107 HydrophobicContact CG-CZ 3.79Å; M85-F107 HydrophobicContact SD-CZ 4.16Å
86	Q	94.7	Very high	95.2	Very high	11 Å²	11	29.4 Å²	29.4	5%	0.051	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	80.9	175.1	-158.4	-178.5	38.4	0	0	110	G40 A43 D44 Y54 A69 G70 R71 C84	G40-Q86 PolarHBondContact O-NE2 2.77Å; A43-Q86 HydrophobicContact CB-CB 4.06Å; A43-Q86 HydrophobicContact CB-CG 3.97Å; D44-Q86 PolarHBondContact OD1-NE2 2.78Å; Y54-Q86 PolarHBondContact OH-N 3.29Å; A69-Q86 HydrophobicContact CB-CB 4.49Å; A69-Q86 HydrophobicContact CB-CG 4.06Å; A69-Q86 PolarHBondContact N-O 3.28Å; G70-Q86 PolarHBondContact N-O 3.43Å; R71-Q86 HydrophobicContact CB-CB 4.42Å; R71-Q86 PolarHBondContact N-O 2.96Å; R71-Q86 WeakPolarHBondContact O-CB 3.37Å; R71-Q86 PolarHBondContact O-N 3.2Å; C84-Q86 PolarHBondContact O-N 3.33Å
87	G	90.4	Very high	95.2	Very high	3 Å²	3	28.1 Å²	28.1	3%	0.031	17%	0.169	C	C	.	.	S	Bend	trans	103.6	138.6	-168.4	0	0	0	0	0	111.3	C35 Y54 H68 M85	C35-G87 PolarHBondContact O-N 3.02Å; Y54-G87 WeakPolarHBondContact CE2-O 3.41Å; Y54-G87 PolarHBondContact OH-O 2.95Å; H68-G87 WeakPolarHBondContact ND1-CA 3.45Å; M85-G87 VanDerWaalsContact C-N 3.31Å; M85-G87 PolarHBondContact O-N 2.82Å
88	R	94.5	Very high	95.1	Very high	1 Å²	1	29.9 Å²	29.9	0%	0.004	18%	0.178	C	C	.	.			trans	-111.9	-178	175.4	66.5	171	57.6	147.8	3.6	112.9	V34 S63 H68 T118 S225 T226 E229	V34-R88 HydrophobicContact CG1-CB 3.95Å; V34-R88 VanDerWaalsContact CG1-NH2 3.29Å; S63-R88 PolarHBondContact OG-O 3.14Å; H68-R88 PolarHBondContact CE1-N 3.35Å; H68-R88 PolarHBondContact ND1-N 2.9Å; H68-R88 PolarHBondContact ND1-O 3.1Å; R88-T118 VanDerWaalsContact CZ-O 3.28Å; R88-T118 PolarHBondContact NH1-O 2.75Å; R88-T118 PolarHBondContact NH2-O 2.88Å; R88-S225 VanDerWaalsContact CD-CB 3.45Å; R88-S225 PolarHBondContact NH1-OG 2.84Å; R88-T226 PolarHBondContact NH1-OG1 2.85Å; R88-E229 IonicContact CZ-OE2 2.75Å; R88-E229 IonicContact NE-OE1 2.94Å; R88-E229 IonicContact NE-OE2 2.89Å; R88-E229 IonicContact NH1-OE2 3.9Å; R88-E229 IonicContact NH2-OE2 3Å
89	F	95.1	Very high	95.1	Very high	3 Å²	3	29 Å²	29	1%	0.013	17%	0.171	C	C	.	.			trans	-112.5	150.6	176.4	-41.4	-67.6	0	0	0	110.9	Y54 F60 P61 Q62 M85 E93 Y95 I100 P103	Y54-F89 AromaticContact CD2-CE1 3.57Å; Y54-F89 HydrophobicContact CD2-CE1 3.57Å; Y54-F89 AromaticContact CD2-CZ 3.49Å; Y54-F89 HydrophobicContact CD2-CZ 3.49Å; Y54-F89 VanDerWaalsContact CD2-CZ 3.49Å; Y54-F89 AromaticContact CE2-CE1 3.76Å; Y54-F89 HydrophobicContact CE2-CE1 3.76Å; Y54-F89 AromaticContact CE2-CZ 3.58Å; Y54-F89 HydrophobicContact CE2-CZ 3.58Å; Y54-F89 HydrophobicContact CG-CZ 4.16Å; F60-F89 HydrophobicContact CD1-CE2 4.31Å; F60-F89 AromaticContact CD1-CZ 3.92Å; F60-F89 HydrophobicContact CD1-CZ 3.92Å; F60-F89 HydrophobicContact CE1-CE2 4.02Å; F60-F89 AromaticContact CE1-CZ 3.89Å; F60-F89 HydrophobicContact CE1-CZ 3.89Å; P61-F89 HydrophobicContact CB-CD1 3.86Å; P61-F89 HydrophobicContact CB-CD2 3.91Å; P61-F89 HydrophobicContact CB-CE1 3.74Å; P61-F89 HydrophobicContact CB-CE2 3.78Å; P61-F89 HydrophobicContact CB-CG 3.93Å; P61-F89 HydrophobicContact CB-CZ 3.69Å; P61-F89 HydrophobicContact CG-CD2 3.8Å; P61-F89 HydrophobicContact CG-CE1 4.46Å; P61-F89 HydrophobicContact CG-CE2 3.58Å; P61-F89 HydrophobicContact CG-CG 4.31Å; P61-F89 HydrophobicContact CG-CZ 3.95Å; P61-F89 VanDerWaalsContact O-CE1 3.31Å; P61-F89 WeakPolarHBondContact O-CE1 3.4Å; P61-F89 VanDerWaalsContact O-CZ 3.25Å; P61-F89 WeakPolarHBondContact O-CZ 3.46Å; Q62-F89 VanDerWaalsContact C-CE1 3.5Å; Q62-F89 WeakPolarHBondContact O-CD1 3.47Å; M85-F89 HydrophobicContact CE-CD2 4.09Å; M85-F89 HydrophobicContact CE-CE2 3.68Å; M85-F89 HydrophobicContact CE-CZ 4.38Å; F89-E93 VanDerWaalsContact CA-OE2 3.28Å; F89-E93 WeakPolarHBondContact CA-OE2 3.41Å; F89-Y95 HydrophobicContact CB-CD2 4.49Å; F89-I100 HydrophobicContact CB-CB 3.74Å; F89-I100 HydrophobicContact CB-CG2 3.64Å; F89-P103 HydrophobicContact CD2-CG 4.27Å; F89-P103 HydrophobicContact CE2-CG 3.77Å
90	H	96.3	Very high	95.2	Very high	6 Å²	6	26.2 Å²	26.2	3%	0.028	14%	0.14	C	C	.	.			trans	-129.4	154.8	-174.6	-50.5	81.9	0	0	0	111.7	H68 Y92 E93	H68-H90 AromaticContact CE1-CE1 3.34Å; H68-H90 PolarHBondContact CE1-CE1 3.38Å; H68-H90 AromaticContact CE1-NE2 3.99Å; H68-H90 AromaticContact NE2-CE1 3.76Å; H90-Y92 VanDerWaalsContact C-N 3.3Å; H90-Y92 HydrophobicContact CB-CD1 3.68Å; H90-Y92 HydrophobicContact CB-CD2 4.12Å; H90-Y92 HydrophobicContact CB-CE1 3.35Å; H90-Y92 HydrophobicContact CB-CE2 3.81Å; H90-Y92 HydrophobicContact CB-CG 4.05Å; H90-Y92 VanDerWaalsContact CB-CZ 3.43Å; H90-Y92 AromaticContact CD2-CE1 3.59Å; H90-Y92 AromaticContact CD2-CZ 3.66Å; H90-Y92 PolarHBondContact CD2-OH 3.31Å; H90-Y92 PolarHBondContact CE1-OH 2.96Å; H90-Y92 AromaticContact CG-CE1 3.52Å; H90-Y92 AromaticContact CG-CZ 3.34Å; H90-Y92 VanDerWaalsContact CG-OH 3.28Å; H90-Y92 AromaticContact ND1-CZ 3.72Å; H90-Y92 PolarHBondContact ND1-OH 3.44Å; H90-Y92 PolarHBondContact NE2-OH 3.3Å; H90-Y92 PolarHBondContact O-N 2.98Å; H90-E93 HydrophobicContact CB-CG 4.31Å; H90-E93 IonicContact CG-OE2 2.66Å; H90-E93 PolarHBondContact N-OE2 2.81Å; H90-E93 IonicContact ND1-OE2 3.05Å; H90-E93 PolarHBondContact ND1-OE2 3.17Å; H90-E93 VanDerWaalsContact ND1-OE2 3.13Å; H90-E93 WeakPolarHBondContact O-CB 3.33Å; H90-E93 PolarHBondContact O-N 3.33Å
91	L	95.4	Very high	95.3	Very high	20 Å²	20	24.5 Å²	24.5	11%	0.105	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-61.2	-39.9	176.1	-72.5	176.7	0	0	0	112.1	E93 G94 I97 I100 P143 H228	L91-E93 PolarHBondContact O-N 2.88Å; L91-E93 VanDerWaalsContact O-N 3.14Å; L91-G94 PolarHBondContact O-N 2.85Å; L91-I97 HydrophobicContact CD1-CD1 4.3Å; L91-I97 HydrophobicContact CD2-CB 3.68Å; L91-I97 HydrophobicContact CD2-CD1 4.22Å; L91-I97 HydrophobicContact CD2-CG1 3.91Å; L91-I100 HydrophobicContact CD2-CD1 3.64Å; L91-I100 HydrophobicContact CG-CD1 3.7Å; L91-P143 HydrophobicContact CD1-CB 4.43Å; L91-P143 HydrophobicContact CD1-CG 4.42Å; L91-H228 WeakPolarHBondContact CD1-NE2 3.31Å
92	Y	95.8	Very high	95.2	Very high	66 Å²	66	23.1 Å²	23.1	26%	0.259	12%	0.124	S	C	.	.	G	3₁₀ helix	trans	-66	-12.9	-179.8	60.7	-110.2	0	0	0	114.1	V65 H90 G94 S201 P203 M224	V65-Y92 HydrophobicContact CG2-CE2 3.56Å; H90-Y92 VanDerWaalsContact C-N 3.3Å; H90-Y92 HydrophobicContact CB-CD1 3.68Å; H90-Y92 HydrophobicContact CB-CD2 4.12Å; H90-Y92 HydrophobicContact CB-CE1 3.35Å; H90-Y92 HydrophobicContact CB-CE2 3.81Å; H90-Y92 HydrophobicContact CB-CG 4.05Å; H90-Y92 VanDerWaalsContact CB-CZ 3.43Å; H90-Y92 AromaticContact CD2-CE1 3.59Å; H90-Y92 AromaticContact CD2-CZ 3.66Å; H90-Y92 PolarHBondContact CD2-OH 3.31Å; H90-Y92 PolarHBondContact CE1-OH 2.96Å; H90-Y92 AromaticContact CG-CE1 3.52Å; H90-Y92 AromaticContact CG-CZ 3.34Å; H90-Y92 VanDerWaalsContact CG-OH 3.28Å; H90-Y92 AromaticContact ND1-CZ 3.72Å; H90-Y92 PolarHBondContact ND1-OH 3.44Å; H90-Y92 PolarHBondContact NE2-OH 3.3Å; H90-Y92 PolarHBondContact O-N 2.98Å; Y92-G94 PolarHBondContact O-N 3.2Å; Y92-S201 WeakPolarHBondContact CB-O 3.39Å; Y92-S201 WeakPolarHBondContact CD1-O 3.46Å; Y92-P203 HydrophobicContact CD2-CB 4.27Å; Y92-P203 HydrophobicContact CG-CB 4Å; Y92-M224 HydrophobicContact CD1-CB 4.01Å; Y92-M224 HydrophobicContact CD1-SD 3.95Å; Y92-M224 HydrophobicContact CE1-CB 3.75Å; Y92-M224 HydrophobicContact CE1-CG 4.46Å; Y92-M224 HydrophobicContact CE1-SD 3.89Å
93	E	94.3	Very high	95.2	Very high	34 Å²	34	23.1 Å²	23.1	16%	0.159	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-74.9	-3.2	171.6	-66.1	179	97.6	0	0	112.2	T64 V65 F89 H90 L91 Y95	T64-E93 WeakPolarHBondContact CA-OE1 3.49Å; T64-E93 PolarHBondContact N-OE1 3.39Å; T64-E93 PolarHBondContact OG1-OE1 3.42Å; V65-E93 HydrophobicContact CG2-CG 3.8Å; V65-E93 PolarHBondContact N-OE1 2.95Å; F89-E93 VanDerWaalsContact CA-OE2 3.28Å; F89-E93 WeakPolarHBondContact CA-OE2 3.41Å; H90-E93 HydrophobicContact CB-CG 4.31Å; H90-E93 IonicContact CG-OE2 2.66Å; H90-E93 PolarHBondContact N-OE2 2.81Å; H90-E93 IonicContact ND1-OE2 3.05Å; H90-E93 PolarHBondContact ND1-OE2 3.17Å; H90-E93 VanDerWaalsContact ND1-OE2 3.13Å; H90-E93 WeakPolarHBondContact O-CB 3.33Å; H90-E93 PolarHBondContact O-N 3.33Å; L91-E93 PolarHBondContact O-N 2.88Å; L91-E93 VanDerWaalsContact O-N 3.14Å; E93-Y95 HydrophobicContact CB-CD2 3.87Å; E93-Y95 HydrophobicContact CB-CE2 4.12Å
94	G	93.3	Very high	95.2	Very high	67 Å²	67	23.2 Å²	23.2	69%	0.691	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.3	6.3	177.8	0	0	0	0	0	114	L91 Y92	L91-G94 PolarHBondContact O-N 2.85Å; Y92-G94 PolarHBondContact O-N 3.2Å
95	Y	91.1	Very high	95.2	Very high	48 Å²	48	25.1 Å²	25.1	19%	0.188	13%	0.131	C	C	.	.			trans	-77.6	143	176.4	-71	-57.7	0	0	0	112.1	Q62 F89 E93 R99 I100	Q62-Y95 PolarHBondContact N-OH 3.49Å; Q62-Y95 WeakPolarHBondContact O-CE2 3.05Å; Q62-Y95 PolarHBondContact O-OH 3.4Å; F89-Y95 HydrophobicContact CB-CD2 4.49Å; E93-Y95 HydrophobicContact CB-CD2 3.87Å; E93-Y95 HydrophobicContact CB-CE2 4.12Å; Y95-R99 HydrophobicContact CD1-CG 4.29Å; Y95-I100 HydrophobicContact CD2-CG2 4.16Å; Y95-I100 HydrophobicContact CG-CG2 4.14Å
96	P	93.3	Very high	95.2	Very high	56 Å²	56	25.1 Å²	25.1	36%	0.364	13%	0.131	S	C	.	.			trans	-57.2	145.6	164.2	-22.8	33.3	0	0	0	111.2	Q98 R99 I100	P96-Q98 PolarHBondContact O-N 2.92Å; P96-R99 HydrophobicContact CB-CB 4.46Å; P96-R99 WeakPolarHBondContact O-CA 3.48Å; P96-R99 WeakPolarHBondContact O-CB 3.48Å; P96-R99 PolarHBondContact O-N 3.22Å; P96-I100 PolarHBondContact O-N 3.4Å
97	I	95.9	Very high	95.4	Very high	3 Å²	3	24.6 Å²	24.6	2%	0.015	13%	0.129	C	C	.	.	H	α-helix	trans	-60.3	-31.3	-176.3	-166.2	162.1	0	0	0	113.1	L91 R99 I100 T101 N148 P150 H228	L91-I97 HydrophobicContact CD1-CD1 4.3Å; L91-I97 HydrophobicContact CD2-CB 3.68Å; L91-I97 HydrophobicContact CD2-CD1 4.22Å; L91-I97 HydrophobicContact CD2-CG1 3.91Å; I97-R99 VanDerWaalsContact C-N 3.29Å; I97-R99 PolarHBondContact O-N 3.35Å; I97-I100 HydrophobicContact CG1-CD1 4.39Å; I97-I100 VanDerWaalsContact O-CG1 3.25Å; I97-I100 WeakPolarHBondContact O-CG1 3.45Å; I97-T101 WeakPolarHBondContact O-CG2 3.26Å; I97-T101 PolarHBondContact O-N 3.41Å; I97-T101 PolarHBondContact O-OG1 3.16Å; I97-N148 VanDerWaalsContact CD1-O 3.3Å; I97-N148 WeakPolarHBondContact CD1-O 3.49Å; I97-N148 WeakPolarHBondContact CG2-OD1 3.39Å; I97-P150 HydrophobicContact CG1-CB 4.15Å; I97-H228 HydrophobicContact CD1-CB 4.21Å; I97-H228 HydrophobicContact CG1-CB 4.14Å
98	Q	95	Very high	95.7	Very high	41 Å²	41	27.6 Å²	27.6	19%	0.192	14%	0.141	C	C	.	.	H	α-helix	trans	-68	-30.2	174.7	-64.5	83.1	-6.9	0	0	111.9	P96 T101 L102 V152	P96-Q98 PolarHBondContact O-N 2.92Å; Q98-T101 PolarHBondContact O-OG1 3.07Å; Q98-L102 PolarHBondContact O-N 3.43Å; Q98-V152 PolarHBondContact NE2-O 3Å
99	R	93.9	Very high	95.9	Very high	113 Å²	113	29.6 Å²	29.6	43%	0.426	15%	0.152	S	C	.	.	H	α-helix	trans	-76.1	-42.1	179.9	-169.6	163.2	-174	160.2	4.1	111.3	P61 Y95 P96 I97 T101 L102	P61-R99 HydrophobicContact CB-CG 4.2Å; P61-R99 HydrophobicContact CG-CG 3.85Å; P61-R99 WeakPolarHBondContact CG-O 3.42Å; Y95-R99 HydrophobicContact CD1-CG 4.29Å; P96-R99 HydrophobicContact CB-CB 4.46Å; P96-R99 WeakPolarHBondContact O-CA 3.48Å; P96-R99 WeakPolarHBondContact O-CB 3.48Å; P96-R99 PolarHBondContact O-N 3.22Å; I97-R99 VanDerWaalsContact C-N 3.29Å; I97-R99 PolarHBondContact O-N 3.35Å; R99-T101 PolarHBondContact O-N 3.4Å; R99-L102 VanDerWaalsContact O-CB 3.31Å; R99-L102 WeakPolarHBondContact O-CB 3.46Å; R99-L102 PolarHBondContact O-N 3.44Å
100	I	94.9	Very high	96	Very high	7 Å²	7	29.6 Å²	29.6	4%	0.036	15%	0.152	C	C	.	.	H	α-helix	trans	-68.9	-25.1	177.9	68.7	174.7	0	0	0	112.8	F89 L91 Y95 P96 I97	F89-I100 HydrophobicContact CB-CB 3.74Å; F89-I100 HydrophobicContact CB-CG2 3.64Å; L91-I100 HydrophobicContact CD2-CD1 3.64Å; L91-I100 HydrophobicContact CG-CD1 3.7Å; Y95-I100 HydrophobicContact CD2-CG2 4.16Å; Y95-I100 HydrophobicContact CG-CG2 4.14Å; P96-I100 PolarHBondContact O-N 3.4Å; I97-I100 HydrophobicContact CG1-CD1 4.39Å; I97-I100 VanDerWaalsContact O-CG1 3.25Å; I97-I100 WeakPolarHBondContact O-CG1 3.45Å
101	T	96.9	Very high	96.1	Very high	3 Å²	3	31.2 Å²	31.2	2%	0.018	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-2.9	179.5	55.2	0	0	0	0	114.1	I97 Q98 R99 P103 M104 P150 H228 V232	I97-T101 WeakPolarHBondContact O-CG2 3.26Å; I97-T101 PolarHBondContact O-N 3.41Å; I97-T101 PolarHBondContact O-OG1 3.16Å; Q98-T101 PolarHBondContact O-OG1 3.07Å; R99-T101 PolarHBondContact O-N 3.4Å; T101-P103 VanDerWaalsContact C-N 3.29Å; T101-M104 WeakPolarHBondContact O-CB 3.5Å; T101-M104 PolarHBondContact O-N 2.99Å; T101-M104 VanDerWaalsContact O-N 3.07Å; T101-P150 HydrophobicContact CG2-CB 4.05Å; T101-P150 HydrophobicContact CG2-CG 4.4Å; T101-H228 VanDerWaalsContact CG2-C 3.42Å; T101-H228 HydrophobicContact CG2-CB 3.46Å; T101-H228 VanDerWaalsContact CG2-CB 3.46Å; T101-H228 WeakPolarHBondContact CG2-O 3.35Å; T101-V232 HydrophobicContact CG2-CG2 4.08Å
102	L	95.8	Very high	96.2	Very high	3 Å²	3	30.4 Å²	30.4	2%	0.016	17%	0.166	C	C	.	.	H	α-helix	trans	-46.9	-44.1	176.1	-178.6	76.9	0	0	0	113.7	L9 C14 N59 Q98 R99 M104 R105 I106	L9-L102 HydrophobicContact CB-CD1 3.78Å; L9-L102 HydrophobicContact CD1-CD1 3.59Å; L9-L102 HydrophobicContact CD1-CD2 3.31Å; L9-L102 HydrophobicContact CD1-CG 3.99Å; L9-L102 HydrophobicContact CG-CD1 4.34Å; C14-L102 WeakPolarHBondContact SG-CD1 3.46Å; N59-L102 WeakPolarHBondContact O-CD2 3.42Å; Q98-L102 PolarHBondContact O-N 3.43Å; R99-L102 VanDerWaalsContact O-CB 3.31Å; R99-L102 WeakPolarHBondContact O-CB 3.46Å; R99-L102 PolarHBondContact O-N 3.44Å; L102-M104 PolarHBondContact O-N 2.87Å; L102-M104 VanDerWaalsContact O-N 3.09Å; L102-R105 PolarHBondContact O-N 3.18Å; L102-I106 HydrophobicContact CD2-CD1 3.83Å; L102-I106 HydrophobicContact CG-CD1 3.78Å; L102-I106 HydrophobicContact CG-CG1 4.38Å; L102-I106 PolarHBondContact O-N 2.94Å; L102-I106 VanDerWaalsContact O-N 3.15Å
103	P	97.5	Very high	96.3	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.006	17%	0.169	C	C	.	.	H	α-helix	trans	-57.7	-28.8	-177.6	-27.2	38.1	0	0	0	113.7	F60 M85 F89 T101 I106 F107	F60-P103 HydrophobicContact CE1-CG 4.12Å; F60-P103 HydrophobicContact CE2-CB 4.37Å; F60-P103 HydrophobicContact CE2-CG 4.25Å; F60-P103 HydrophobicContact CZ-CB 3.87Å; F60-P103 HydrophobicContact CZ-CG 3.69Å; M85-P103 HydrophobicContact CE-CB 3.88Å; M85-P103 HydrophobicContact CE-CG 3.57Å; M85-P103 HydrophobicContact SD-CB 3.33Å; M85-P103 WeakPolarHBondContact SD-CB 3.47Å; M85-P103 HydrophobicContact SD-CG 3.78Å; F89-P103 HydrophobicContact CD2-CG 4.27Å; F89-P103 HydrophobicContact CE2-CG 3.77Å; T101-P103 VanDerWaalsContact C-N 3.29Å; P103-I106 PolarHBondContact O-N 3.31Å; P103-F107 WeakPolarHBondContact O-CB 3.15Å; P103-F107 WeakPolarHBondContact O-CD1 3.27Å; P103-F107 WeakPolarHBondContact O-CG 3.32Å; P103-F107 PolarHBondContact O-N 3.23Å
104	M	98.4	Very high	96.6	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-67.5	-36.9	177.2	-63.1	-60.5	99.9	0	0	112.2	V34 M85 T101 L102 F107 K108 V115 E229 V232 A233 M238	V34-M104 HydrophobicContact CG2-CE 3.73Å; M85-M104 HydrophobicContact SD-CE 4.21Å; T101-M104 WeakPolarHBondContact O-CB 3.5Å; T101-M104 PolarHBondContact O-N 2.99Å; T101-M104 VanDerWaalsContact O-N 3.07Å; L102-M104 PolarHBondContact O-N 2.87Å; L102-M104 VanDerWaalsContact O-N 3.09Å; M104-F107 HydrophobicContact CE-CD2 3.47Å; M104-F107 VanDerWaalsContact CE-CD2 3.47Å; M104-F107 HydrophobicContact CE-CE2 3.57Å; M104-F107 HydrophobicContact CE-CG 4.31Å; M104-F107 HydrophobicContact CE-CZ 4.46Å; M104-F107 PolarHBondContact O-N 2.92Å; M104-F107 HydrophobicContact SD-CD2 4.33Å; M104-K108 PolarHBondContact O-N 2.91Å; M104-K108 VanDerWaalsContact O-N 3.07Å; M104-V115 HydrophobicContact CE-CG1 4.48Å; M104-V115 HydrophobicContact SD-CG1 4.09Å; M104-V115 HydrophobicContact SD-CG2 4.34Å; M104-E229 HydrophobicContact CG-CB 3.95Å; M104-E229 HydrophobicContact CG-CG 4.48Å; M104-E229 HydrophobicContact SD-CB 4.19Å; M104-V232 HydrophobicContact CB-CB 4Å; M104-V232 HydrophobicContact CB-CG1 3.66Å; M104-V232 HydrophobicContact CG-CB 4.49Å; M104-A233 HydrophobicContact SD-CB 4.24Å; M104-M238 HydrophobicContact CB-CE 4.24Å; M104-M238 VanDerWaalsContact O-CE 3.24Å; M104-M238 WeakPolarHBondContact O-CE 3.31Å
105	R	98.2	Very high	96.8	Very high	40 Å²	40	26 Å²	26	15%	0.151	13%	0.13	C	C	.	.	H	α-helix	trans	-68.3	-39.8	173	-71	-178.9	178.6	173.4	-0.6	111.2	L102 F107 K108 L109 F160 V232	L102-R105 PolarHBondContact O-N 3.18Å; R105-F107 VanDerWaalsContact C-N 3.35Å; R105-K108 WeakPolarHBondContact O-CB 3.26Å; R105-K108 PolarHBondContact O-N 2.89Å; R105-L109 WeakPolarHBondContact O-CG 3.45Å; R105-L109 PolarHBondContact O-N 2.64Å; R105-L109 VanDerWaalsContact O-N 3.16Å; R105-F160 HydrophobicContact CB-CD1 4.4Å; R105-F160 HydrophobicContact CB-CE1 3.66Å; R105-F160 HydrophobicContact CB-CZ 3.9Å; R105-F160 HydrophobicContact CG-CD1 4.12Å; R105-F160 HydrophobicContact CG-CE1 3.8Å; R105-F160 HydrophobicContact CG-CE2 4.49Å; R105-F160 HydrophobicContact CG-CZ 4.01Å; R105-V232 HydrophobicContact CG-CG1 3.8Å
106	I	98.2	Very high	97.2	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-63.1	-44	175	-65.8	165.9	0	0	0	110	C14 T17 A18 L21 F60 L102 P103 K108 L109 L110	C14-I106 HydrophobicContact CB-CG1 4.46Å; T17-I106 HydrophobicContact CG2-CD1 3.61Å; T17-I106 HydrophobicContact CG2-CG1 4.32Å; T17-I106 HydrophobicContact CG2-CG2 4.47Å; A18-I106 HydrophobicContact CB-CG2 4.35Å; L21-I106 HydrophobicContact CD1-CG2 3.89Å; F60-I106 HydrophobicContact CD2-CD1 3.7Å; F60-I106 HydrophobicContact CE2-CD1 3.53Å; L102-I106 HydrophobicContact CD2-CD1 3.83Å; L102-I106 HydrophobicContact CG-CD1 3.78Å; L102-I106 HydrophobicContact CG-CG1 4.38Å; L102-I106 PolarHBondContact O-N 2.94Å; L102-I106 VanDerWaalsContact O-N 3.15Å; P103-I106 PolarHBondContact O-N 3.31Å; I106-K108 VanDerWaalsContact C-N 3.32Å; I106-K108 PolarHBondContact O-N 2.93Å; I106-L109 CarbonylContact O-C 3.35Å; I106-L109 PolarHBondContact O-N 3.06Å; I106-L110 HydrophobicContact CG2-CD1 3.96Å; I106-L110 HydrophobicContact CG2-CG 4.16Å; I106-L110 VanDerWaalsContact O-CG 3.31Å; I106-L110 WeakPolarHBondContact O-CG 3.14Å; I106-L110 PolarHBondContact O-N 2.8Å
107	F	98.6	Very high	97.4	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-57	-44.6	176.2	-77	7.9	0	0	0	111.9	L72 V83 M85 P103 M104 R105 L109 L110 G111 V112 M238	L72-F107 HydrophobicContact CD1-CE1 4Å; L72-F107 HydrophobicContact CD1-CZ 4.21Å; V83-F107 HydrophobicContact CB-CE1 4.46Å; V83-F107 HydrophobicContact CG1-CD1 4.05Å; V83-F107 HydrophobicContact CG1-CE1 3.69Å; V83-F107 HydrophobicContact CG1-CE2 4.25Å; V83-F107 HydrophobicContact CG1-CG 4.45Å; V83-F107 HydrophobicContact CG1-CZ 3.78Å; V83-F107 HydrophobicContact CG2-CE1 3.88Å; V83-F107 HydrophobicContact CG2-CZ 4.13Å; M85-F107 HydrophobicContact CG-CE1 4.5Å; M85-F107 HydrophobicContact CG-CZ 3.79Å; M85-F107 HydrophobicContact SD-CZ 4.16Å; P103-F107 WeakPolarHBondContact O-CB 3.15Å; P103-F107 WeakPolarHBondContact O-CD1 3.27Å; P103-F107 WeakPolarHBondContact O-CG 3.32Å; P103-F107 PolarHBondContact O-N 3.23Å; M104-F107 HydrophobicContact CE-CD2 3.47Å; M104-F107 VanDerWaalsContact CE-CD2 3.47Å; M104-F107 HydrophobicContact CE-CE2 3.57Å; M104-F107 HydrophobicContact CE-CG 4.31Å; M104-F107 HydrophobicContact CE-CZ 4.46Å; M104-F107 PolarHBondContact O-N 2.92Å; M104-F107 HydrophobicContact SD-CD2 4.33Å; R105-F107 VanDerWaalsContact C-N 3.35Å; F107-L109 VanDerWaalsContact C-N 3.3Å; F107-L109 PolarHBondContact O-N 3.07Å; F107-L110 HydrophobicContact CD1-CD1 4.24Å; F107-L110 PolarHBondContact O-N 2.84Å; F107-G111 PolarHBondContact O-N 2.93Å; F107-V112 HydrophobicContact CB-CB 3.93Å; F107-V112 HydrophobicContact CB-CG1 4.38Å; F107-V112 HydrophobicContact CB-CG2 3.89Å; F107-V112 HydrophobicContact CG-CG2 4.21Å; F107-V112 VanDerWaalsContact O-CB 3.27Å; F107-V112 WeakPolarHBondContact O-CB 3.32Å; F107-V112 WeakPolarHBondContact O-CG2 3.48Å; F107-V112 PolarHBondContact O-N 3.41Å; F107-M238 HydrophobicContact CB-CE 4.4Å; F107-M238 HydrophobicContact CB-SD 4.27Å
108	K	97.9	Very high	97.5	Very high	66 Å²	66	21 Å²	21	29%	0.287	10%	0.103	S	C	.	.	H	α-helix	trans	-55.2	-46.1	172.8	174.2	61.7	174.4	-163.2	0	111.9	M104 R105 I106 L110 G111 C236	M104-K108 PolarHBondContact O-N 2.91Å; M104-K108 VanDerWaalsContact O-N 3.07Å; R105-K108 WeakPolarHBondContact O-CB 3.26Å; R105-K108 PolarHBondContact O-N 2.89Å; I106-K108 VanDerWaalsContact C-N 3.32Å; I106-K108 PolarHBondContact O-N 2.93Å; K108-L110 VanDerWaalsContact C-N 3.34Å; K108-G111 PolarHBondContact O-N 3.13Å; K108-C236 HydrophobicContact CB-CB 3.91Å; K108-C236 HydrophobicContact CD-CB 4.05Å; K108-C236 WeakPolarHBondContact CD-O 3.36Å; K108-C236 VanDerWaalsContact CE-O 3.25Å; K108-C236 WeakPolarHBondContact CE-O 3.42Å; K108-C236 HydrophobicContact CG-CB 3.88Å; K108-C236 PolarHBondContact NZ-O 2.86Å
109	L	98	Very high	97.7	Very high	44 Å²	44	19.1 Å²	19.1	23%	0.23	10%	0.095	C	C	.	.	H	α-helix	trans	-72.5	-25.5	-179.3	-62.1	177.5	0	0	0	113.3	Y11 C14 K15 A18 R105 I106 F107 G111 F160	Y11-L109 HydrophobicContact CE2-CD2 3.94Å; C14-L109 HydrophobicContact CB-CD1 3.71Å; K15-L109 HydrophobicContact CB-CD1 4.13Å; A18-L109 HydrophobicContact CB-CB 3.63Å; A18-L109 HydrophobicContact CB-CD1 4.39Å; R105-L109 WeakPolarHBondContact O-CG 3.45Å; R105-L109 PolarHBondContact O-N 2.64Å; R105-L109 VanDerWaalsContact O-N 3.16Å; I106-L109 CarbonylContact O-C 3.35Å; I106-L109 PolarHBondContact O-N 3.06Å; F107-L109 VanDerWaalsContact C-N 3.3Å; F107-L109 PolarHBondContact O-N 3.07Å; L109-G111 PolarHBondContact O-N 2.86Å; L109-F160 HydrophobicContact CD1-CE1 4.45Å; L109-F160 HydrophobicContact CD1-CZ 4.49Å; L109-F160 HydrophobicContact CD2-CE1 4.46Å; L109-F160 HydrophobicContact CG-CE1 4.37Å
110	L	98.3	Very high	97.7	Very high	3 Å²	3	14.5 Å²	14.5	2%	0.016	8%	0.081	C	C	.	.	H	α-helix	trans	-73.7	-12.9	171.3	-67.1	174.8	0	0	0	113.2	A18 L21 L22 P29 F74 I106 F107 K108	A18-L110 HydrophobicContact CB-CD2 4.18Å; A18-L110 HydrophobicContact CB-CG 4.46Å; L21-L110 HydrophobicContact CB-CD2 4.04Å; L21-L110 HydrophobicContact CD1-CD1 4.25Å; L21-L110 HydrophobicContact CD1-CD2 4.5Å; L22-L110 HydrophobicContact CD1-CD2 4.45Å; L22-L110 HydrophobicContact CD2-CD2 3.57Å; L22-L110 HydrophobicContact CG-CD2 3.66Å; P29-L110 HydrophobicContact CG-CB 4.03Å; F74-L110 HydrophobicContact CE1-CD1 4.04Å; F74-L110 HydrophobicContact CZ-CD1 4.14Å; I106-L110 HydrophobicContact CG2-CD1 3.96Å; I106-L110 HydrophobicContact CG2-CG 4.16Å; I106-L110 VanDerWaalsContact O-CG 3.31Å; I106-L110 WeakPolarHBondContact O-CG 3.14Å; I106-L110 PolarHBondContact O-N 2.8Å; F107-L110 HydrophobicContact CD1-CD1 4.24Å; F107-L110 PolarHBondContact O-N 2.84Å; K108-L110 VanDerWaalsContact C-N 3.34Å
111	G	97.5	Very high	97.8	Very high	39 Å²	39	14.3 Å²	14.3	40%	0.402	8%	0.08	S	C	.	.	T	Hydrogen-bonded Turn	trans	97.3	11.9	-178.5	0	0	0	0	0	114.9	P29 F107 K108 L109 Q113	P29-G111 CarbonylContact O-C 3.5Å; F107-G111 PolarHBondContact O-N 2.93Å; K108-G111 PolarHBondContact O-N 3.13Å; L109-G111 PolarHBondContact O-N 2.86Å; G111-Q113 PolarHBondContact O-N 3.29Å
112	V	98.5	Very high	97.9	Very high	4 Å²	4	14.4 Å²	14.4	2%	0.024	8%	0.082	C	C	.	.			trans	-63.3	132	175.9	175.3	0	0	0	0	109.9	P29 G32 V83 F107 T114 V115 M238	P29-V112 HydrophobicContact CB-CG2 4.24Å; P29-V112 HydrophobicContact CG-CG2 4.15Å; P29-V112 PolarHBondContact O-N 2.93Å; G32-V112 VanDerWaalsContact N-CG1 3.26Å; V83-V112 HydrophobicContact CG1-CG2 3.92Å; F107-V112 HydrophobicContact CB-CB 3.93Å; F107-V112 HydrophobicContact CB-CG1 4.38Å; F107-V112 HydrophobicContact CB-CG2 3.89Å; F107-V112 HydrophobicContact CG-CG2 4.21Å; F107-V112 VanDerWaalsContact O-CB 3.27Å; F107-V112 WeakPolarHBondContact O-CB 3.32Å; F107-V112 WeakPolarHBondContact O-CG2 3.48Å; F107-V112 PolarHBondContact O-N 3.41Å; V112-T114 VanDerWaalsContact CG1-O 3.23Å; V112-T114 WeakPolarHBondContact CG1-O 3.47Å; V112-V115 HydrophobicContact CG1-CG2 4.06Å; V112-M238 HydrophobicContact CB-SD 4.06Å; V112-M238 HydrophobicContact CG1-SD 3.85Å
113	Q	98.1	Very high	98	Very high	71 Å²	71	14.3 Å²	14.3	33%	0.332	8%	0.081	S	C	.	.			trans	-109.3	-27	-179.4	-60.4	179.6	-0.1	0	0	112.2	T30 G111 M238 R239	T30-Q113 PolarHBondContact O-N 2.79Å; G111-Q113 PolarHBondContact O-N 3.29Å; Q113-M238 WeakPolarHBondContact O-CA 3.31Å; Q113-R239 PolarHBondContact O-N 3.17Å
114	T	98.6	Very high	98	Very high	3 Å²	3	14.2 Å²	14.2	2%	0.018	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	137.5	-178.8	-60.1	0	0	0	0	110.3	T30 V31 G32 V112 L175 R239 I287	T30-T114 PolarHBondContact O-N 2.83Å; V31-T114 CarbonylContact C-O 3.55Å; V31-T114 WeakPolarHBondContact CA-O 3.41Å; G32-T114 PolarHBondContact N-O 2.83Å; V112-T114 VanDerWaalsContact CG1-O 3.23Å; V112-T114 WeakPolarHBondContact CG1-O 3.47Å; T114-L175 HydrophobicContact CG2-CD1 3.5Å; T114-R239 CarbonylContact C-O 3.49Å; T114-R239 VanDerWaalsContact CA-O 3.31Å; T114-R239 WeakPolarHBondContact CA-O 3.46Å; T114-R239 HydrophobicContact CG2-CB 4.29Å; T114-I287 HydrophobicContact CG2-CD1 3.9Å; T114-I287 HydrophobicContact CG2-CG2 4.33Å
115	V	98.7	Very high	97.9	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	128.6	175.7	-168.9	0	0	0	0	110.1	G32 V34 M104 V112 I117 A233 M238 R239 V240 V241	G32-V115 CarbonylContact O-C 3.59Å; G32-V115 VanDerWaalsContact O-CA 3.28Å; G32-V115 WeakPolarHBondContact O-CA 3.24Å; V34-V115 HydrophobicContact CG2-CG1 4.2Å; M104-V115 HydrophobicContact CE-CG1 4.48Å; M104-V115 HydrophobicContact SD-CG1 4.09Å; M104-V115 HydrophobicContact SD-CG2 4.34Å; V112-V115 HydrophobicContact CG1-CG2 4.06Å; V115-I117 HydrophobicContact CB-CG1 4.48Å; V115-I117 HydrophobicContact CG1-CD1 4.12Å; V115-I117 HydrophobicContact CG1-CG1 3.63Å; V115-A233 HydrophobicContact CG2-CB 4.38Å; V115-M238 HydrophobicContact CG2-CB 4.24Å; V115-M238 HydrophobicContact CG2-CE 3.94Å; V115-M238 HydrophobicContact CG2-SD 3.73Å; V115-R239 PolarHBondContact N-O 2.73Å; V115-V240 WeakPolarHBondContact O-CA 3.44Å; V115-V241 PolarHBondContact O-N 2.99Å
116	V	98.7	Very high	97.7	Very high	2 Å²	2	19.4 Å²	19.4	1%	0.012	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	116.2	170.1	-176.3	0	0	0	0	108.4	V31 G32 I33 V34 V241 V280 V284 I287	V31-V116 HydrophobicContact CG1-CG2 4.23Å; G32-V116 PolarHBondContact O-N 2.97Å; I33-V116 CarbonylContact C-O 3.48Å; I33-V116 VanDerWaalsContact CA-O 3.32Å; I33-V116 WeakPolarHBondContact CA-O 3.44Å; I33-V116 HydrophobicContact CG1-CB 4.49Å; V34-V116 PolarHBondContact N-O 3.44Å; V116-V241 WeakPolarHBondContact CA-O 3.5Å; V116-V241 HydrophobicContact CB-CG1 4.23Å; V116-V241 HydrophobicContact CG1-CG1 4.17Å; V116-V241 HydrophobicContact CG2-CG1 3.79Å; V116-V280 HydrophobicContact CG1-CG1 4.06Å; V116-V280 HydrophobicContact CG1-CG2 4.25Å; V116-V284 HydrophobicContact CG2-CG2 4.28Å; V116-I287 HydrophobicContact CG2-CD1 4.24Å
117	I	98.8	Very high	97.5	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	126.7	-175.5	-54.2	177.6	0	0	0	109.5	V34 V115 T226 E229 V230 V240 V241 A242 L243	V34-I117 HydrophobicContact CB-CG1 4.44Å; V34-I117 HydrophobicContact CB-CG2 4.18Å; V34-I117 HydrophobicContact CG2-CG1 4.25Å; V115-I117 HydrophobicContact CB-CG1 4.48Å; V115-I117 HydrophobicContact CG1-CD1 4.12Å; V115-I117 HydrophobicContact CG1-CG1 3.63Å; I117-T226 HydrophobicContact CB-CG2 4.42Å; I117-T226 HydrophobicContact CG2-CG2 3.74Å; I117-E229 HydrophobicContact CD1-CB 4.03Å; I117-V230 HydrophobicContact CD1-CG2 3.81Å; I117-V240 HydrophobicContact CD1-CG1 4.08Å; I117-V241 PolarHBondContact N-O 3.09Å; I117-A242 HydrophobicContact CB-CB 4.07Å; I117-A242 CarbonylContact O-C 3.58Å; I117-A242 WeakPolarHBondContact O-CA 3.4Å; I117-L243 PolarHBondContact O-N 3.37Å
118	T	98.3	Very high	97.5	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	139.9	-179.8	64	0	0	0	0	111.3	V34 G36 L42 R88 L243 M276 V280	V34-T118 PolarHBondContact O-N 2.94Å; V34-T118 PolarHBondContact O-OG1 2.81Å; G36-T118 VanDerWaalsContact CA-O 3.28Å; G36-T118 WeakPolarHBondContact CA-O 3.26Å; G36-T118 PolarHBondContact N-O 3.23Å; G36-T118 PolarHBondContact N-OG1 2.9Å; L42-T118 HydrophobicContact CD1-CG2 3.88Å; R88-T118 VanDerWaalsContact CZ-O 3.28Å; R88-T118 PolarHBondContact NH1-O 2.75Å; R88-T118 PolarHBondContact NH2-O 2.88Å; T118-L243 CarbonylContact C-O 3.57Å; T118-L243 VanDerWaalsContact CA-O 3.27Å; T118-L243 WeakPolarHBondContact CA-O 3.25Å; T118-M276 HydrophobicContact CG2-SD 4.43Å; T118-V280 HydrophobicContact CG2-CG2 4.16Å
119	N	97.3	Very high	97.4	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	165.4	175.9	68	66.3	0	0	0	112	T226 L243 S244 L245	N119-T226 WeakPolarHBondContact CB-OG1 3.34Å; N119-T226 PolarHBondContact ND2-OG1 3.41Å; N119-L243 PolarHBondContact N-O 3.18Å; N119-S244 VanDerWaalsContact CG-OG 3.23Å; N119-S244 PolarHBondContact ND2-OG 3.48Å; N119-S244 VanDerWaalsContact ND2-OG 3.07Å; N119-S244 CarbonylContact O-C 3.54Å; N119-S244 WeakPolarHBondContact O-CA 3.44Å; N119-S244 VanDerWaalsContact OD1-CB 3.32Å; N119-S244 WeakPolarHBondContact OD1-CB 3.28Å; N119-S244 PolarHBondContact OD1-OG 3Å; N119-L245 PolarHBondContact O-N 2.86Å
120	A	95.3	Very high	97.2	Very high	16 Å²	16	30.5 Å²	30.5	13%	0.132	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	141.4	160.3	0	0	0	0	0	108.8	L245 T247 V265	A120-L245 WeakPolarHBondContact CA-O 3.46Å; A120-T247 HydrophobicContact CB-CG2 3.63Å; A120-V265 HydrophobicContact CB-CG1 3.68Å
121	A	97.3	Very high	97.1	Very high	3 Å²	3	30.4 Å²	30.4	3%	0.025	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	150.8	-179.1	0	0	0	0	0	112.1	Y197 A221 V222 L245 I246 T247	A121-Y197 HydrophobicContact CB-CD2 4.37Å; A121-Y197 HydrophobicContact CB-CE2 4.03Å; A121-A221 HydrophobicContact CB-CB 3.92Å; A121-V222 CarbonylContact C-O 3.53Å; A121-V222 VanDerWaalsContact CA-O 3.31Å; A121-V222 WeakPolarHBondContact CA-O 3.5Å; A121-V222 WeakPolarHBondContact CB-O 3.19Å; A121-L245 PolarHBondContact N-O 3.29Å; A121-I246 HydrophobicContact CB-CD1 4.5Å; A121-I246 WeakPolarHBondContact O-CA 3.43Å; A121-T247 PolarHBondContact O-N 3.22Å; A121-T247 PolarHBondContact O-OG1 3.42Å
122	G	97.3	Very high	97.1	Very high	6 Å²	6	28.9 Å²	28.9	6%	0.062	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	129.6	166.3	0	0	0	0	0	110.4	A221 V222 N248	G122-A221 CarbonylContact O-C 3.54Å; G122-A221 VanDerWaalsContact O-CA 3.27Å; G122-A221 WeakPolarHBondContact O-CA 3.23Å; G122-V222 PolarHBondContact N-O 3.4Å; G122-V222 PolarHBondContact O-N 2.89Å; G122-N248 WeakPolarHBondContact CA-O 3.25Å
123	G	97.9	Very high	97.1	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	119.9	176.6	0	0	0	0	0	111.5	N248 A250	G123-N248 PolarHBondContact N-O 3.07Å; G123-A250 WeakPolarHBondContact O-CB 3.44Å; G123-A250 PolarHBondContact O-N 3.17Å
124	L	97.9	Very high	97.1	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.131	C	C	.	.			trans	-95.4	-32.9	172.7	-72.9	164.8	0	0	0	111.3	Q126 C211 L214 H215 V219 D220 V222 A250 M252	L124-Q126 PolarHBondContact O-N 3.29Å; L124-Q126 PolarHBondContact O-NE2 2.89Å; L124-Q126 VanDerWaalsContact O-NE2 3.14Å; L124-C211 HydrophobicContact CD2-CB 3.77Å; L124-C211 WeakPolarHBondContact CD2-O 3.27Å; L124-L214 HydrophobicContact CD1-CB 3.59Å; L124-L214 HydrophobicContact CD1-CD1 4.11Å; L124-H215 PolarHBondContact O-ND1 2.95Å; L124-V219 WeakPolarHBondContact CB-O 3.38Å; L124-V219 HydrophobicContact CD1-CB 3.94Å; L124-V219 HydrophobicContact CD1-CG1 3.57Å; L124-D220 PolarHBondContact N-O 3.1Å; L124-V222 HydrophobicContact CD1-CB 3.81Å; L124-V222 HydrophobicContact CD1-CG1 3.92Å; L124-V222 HydrophobicContact CG-CG1 4.12Å; L124-A250 HydrophobicContact CD2-CB 3.51Å; L124-A250 HydrophobicContact CG-CB 4.16Å; L124-M252 HydrophobicContact CD2-SD 4.42Å
125	N	97.5	Very high	97.1	Very high	33 Å²	33	25.2 Å²	25.2	18%	0.176	13%	0.13	C	C	.	.	S	Bend	trans	-65.1	123	172.4	-169.8	-35.5	0	0	0	110.2	D127 F128 D220	N125-D127 PolarHBondContact O-N 3.16Å; N125-D127 WeakPolarHBondContact OD1-CB 3.4Å; N125-D127 PolarHBondContact OD1-N 3.19Å; N125-F128 HydrophobicContact CB-CD1 3.97Å; N125-F128 HydrophobicContact CB-CD2 4.08Å; N125-F128 HydrophobicContact CB-CE1 4.06Å; N125-F128 HydrophobicContact CB-CE2 4.18Å; N125-F128 HydrophobicContact CB-CG 3.98Å; N125-F128 HydrophobicContact CB-CZ 4.18Å; N125-F128 WeakPolarHBondContact O-CB 3.48Å; N125-F128 PolarHBondContact O-N 3.16Å; N125-F128 VanDerWaalsContact O-N 3.13Å; N125-D220 HydrophobicContact CB-CB 4.09Å; N125-D220 PolarHBondContact N-O 3Å; N125-D220 PolarHBondContact ND2-OD1 2.84Å
126	Q	92.6	Very high	97.1	Very high	116 Å²	116	25.2 Å²	25.2	54%	0.542	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-14.7	-175.7	-62.7	-59	-82.9	0	0	113.9	L124 F128 M252	L124-Q126 PolarHBondContact O-N 3.29Å; L124-Q126 PolarHBondContact O-NE2 2.89Å; L124-Q126 VanDerWaalsContact O-NE2 3.14Å; Q126-F128 VanDerWaalsContact C-N 3.31Å; Q126-M252 HydrophobicContact CG-CE 3.97Å
127	D	95.7	Very high	97.1	Very high	129 Å²	129	29.4 Å²	29.4	69%	0.69	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-10.2	174	-65.4	-28.3	0	0	0	112.7	N125	N125-D127 PolarHBondContact O-N 3.16Å; N125-D127 WeakPolarHBondContact OD1-CB 3.4Å; N125-D127 PolarHBondContact OD1-N 3.19Å
128	F	97.4	Very high	97.1	Very high	10 Å²	10	33 Å²	33	4%	0.044	17%	0.167	C	C	.	.			trans	-80.6	155.4	177	-70.6	7.1	0	0	0	111.3	N125 Q126 D132 M134 K193 D220 I246 L249	N125-F128 HydrophobicContact CB-CD1 3.97Å; N125-F128 HydrophobicContact CB-CD2 4.08Å; N125-F128 HydrophobicContact CB-CE1 4.06Å; N125-F128 HydrophobicContact CB-CE2 4.18Å; N125-F128 HydrophobicContact CB-CG 3.98Å; N125-F128 HydrophobicContact CB-CZ 4.18Å; N125-F128 WeakPolarHBondContact O-CB 3.48Å; N125-F128 PolarHBondContact O-N 3.16Å; N125-F128 VanDerWaalsContact O-N 3.13Å; Q126-F128 VanDerWaalsContact C-N 3.31Å; F128-D132 WeakPolarHBondContact CA-OD2 3.32Å; F128-M134 HydrophobicContact CE2-CB 4.21Å; F128-M134 HydrophobicContact CE2-CG 3.97Å; F128-M134 HydrophobicContact CE2-SD 3.46Å; F128-M134 WeakPolarHBondContact CE2-SD 3.44Å; F128-M134 HydrophobicContact CZ-CG 4.02Å; F128-M134 HydrophobicContact CZ-SD 3.81Å; F128-K193 HydrophobicContact CD1-CB 4.25Å; F128-K193 HydrophobicContact CD1-CD 4.17Å; F128-K193 HydrophobicContact CD1-CG 3.82Å; F128-K193 HydrophobicContact CE1-CB 3.59Å; F128-K193 HydrophobicContact CE1-CD 4.11Å; F128-K193 HydrophobicContact CE1-CG 3.68Å; F128-K193 HydrophobicContact CE2-CB 4.48Å; F128-K193 HydrophobicContact CG-CG 4.46Å; F128-K193 HydrophobicContact CZ-CB 3.72Å; F128-K193 HydrophobicContact CZ-CG 4.2Å; F128-D220 HydrophobicContact CE2-CB 3.9Å; F128-D220 HydrophobicContact CZ-CB 3.96Å; F128-I246 HydrophobicContact CD2-CD1 3.78Å; F128-I246 HydrophobicContact CD2-CG1 3.82Å; F128-I246 HydrophobicContact CE2-CD1 4.16Å; F128-I246 HydrophobicContact CE2-CG1 4.47Å; F128-L249 HydrophobicContact CB-CD2 4.43Å; F128-L249 WeakPolarHBondContact O-CD2 3.44Å
129	K	95.6	Very high	97.2	Very high	144 Å²	144	34.2 Å²	34.2	63%	0.626	17%	0.173	S	C	*	.			trans	-127.2	154	176.4	-61.4	179.1	-175.6	178.3	0	110.2	G131 D132	K129-G131 PolarHBondContact O-N 3.1Å; K129-D132 PolarHBondContact N-OD2 2.97Å; K129-D132 VanDerWaalsContact O-CB 3.28Å; K129-D132 WeakPolarHBondContact O-CB 3.17Å; K129-D132 PolarHBondContact O-N 3.22Å
130	V	95	Very high	97.2	Very high	60 Å²	60	35.6 Å²	35.6	36%	0.364	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	127.9	168	-179.3	0	0	0	0	109.2	L249 T268	V130-L249 HydrophobicContact CG2-CG 4.16Å; V130-T268 HydrophobicContact CG1-CG2 3.56Å; V130-T268 WeakPolarHBondContact CG1-OG1 3.3Å
131	G	95	Very high	97.4	Very high	2 Å²	2	35.6 Å²	35.6	2%	0.021	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.9	0.1	-175.5	0	0	0	0	0	115.4	K129 I246 R272	K129-G131 PolarHBondContact O-N 3.1Å; G131-I246 PolarHBondContact N-O 3.47Å; G131-R272 PolarHBondContact O-NE 2.8Å; G131-R272 VanDerWaalsContact O-NE 3.11Å
132	D	97.9	Very high	97.5	Very high	6 Å²	6	37.9 Å²	37.9	3%	0.032	19%	0.19	C	C	.	.			trans	-66.6	146.5	168	-76.7	-11.6	0	0	0	110.8	F128 K129 F191 K193 I246	F128-D132 WeakPolarHBondContact CA-OD2 3.32Å; K129-D132 PolarHBondContact N-OD2 2.97Å; K129-D132 VanDerWaalsContact O-CB 3.28Å; K129-D132 WeakPolarHBondContact O-CB 3.17Å; K129-D132 PolarHBondContact O-N 3.22Å; D132-F191 CarbonylContact C-O 3.57Å; D132-F191 WeakPolarHBondContact CA-O 3.49Å; D132-F191 WeakPolarHBondContact OD1-CA 3.45Å; D132-F191 VanDerWaalsContact OD1-CB 3.26Å; D132-F191 WeakPolarHBondContact OD1-CB 3.31Å; D132-K193 HydrophobicContact CB-CG 4.03Å; D132-K193 WeakPolarHBondContact OD2-CE 3.02Å; D132-I246 HydrophobicContact CB-CB 4.28Å; D132-I246 HydrophobicContact CB-CG1 4.03Å; D132-I246 PolarHBondContact O-N 3.13Å
133	I	98.2	Very high	97.5	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	115.2	172.9	-61.4	175.8	0	0	0	107.5	F191 L192 K193 S244 L245 Q275 M276 L279	I133-F191 HydrophobicContact CD1-CE2 4.3Å; I133-F191 PolarHBondContact N-O 2.78Å; I133-L192 HydrophobicContact CB-CD1 4.19Å; I133-L192 HydrophobicContact CG2-CD1 4.03Å; I133-L192 CarbonylContact O-C 3.51Å; I133-L192 WeakPolarHBondContact O-CA 3.2Å; I133-K193 PolarHBondContact O-N 2.83Å; I133-S244 CarbonylContact C-O 3.57Å; I133-S244 WeakPolarHBondContact CA-O 3.42Å; I133-L245 HydrophobicContact CG1-CD1 4.27Å; I133-Q275 HydrophobicContact CD1-CB 4.48Å; I133-M276 HydrophobicContact CB-CE 4.44Å; I133-M276 HydrophobicContact CD1-CB 4.49Å; I133-M276 HydrophobicContact CD1-CE 4.1Å; I133-M276 HydrophobicContact CD1-SD 4.38Å; I133-M276 HydrophobicContact CG1-CE 3.93Å; I133-M276 HydrophobicContact CG2-CE 3.83Å; I133-M276 HydrophobicContact CG2-SD 4.25Å; I133-L279 HydrophobicContact CD1-CD2 4.41Å; I133-L279 HydrophobicContact CG2-CD2 4.02Å
134	M	98.8	Very high	97.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	121.7	177	-173.7	-171.2	78.8	0	0	110.6	F128 I136 K193 G195 D220 A221 L243 S244 I246	F128-M134 HydrophobicContact CE2-CB 4.21Å; F128-M134 HydrophobicContact CE2-CG 3.97Å; F128-M134 HydrophobicContact CE2-SD 3.46Å; F128-M134 WeakPolarHBondContact CE2-SD 3.44Å; F128-M134 HydrophobicContact CZ-CG 4.02Å; F128-M134 HydrophobicContact CZ-SD 3.81Å; M134-I136 HydrophobicContact CE-CG1 3.8Å; M134-I136 PolarHBondContact O-N 3.45Å; M134-K193 CarbonylContact C-O 3.6Å; M134-K193 WeakPolarHBondContact CA-O 3.19Å; M134-K193 HydrophobicContact CB-CB 4.31Å; M134-K193 HydrophobicContact CG-CB 4.35Å; M134-G195 VanDerWaalsContact SD-CA 3.54Å; M134-D220 HydrophobicContact SD-CB 3.9Å; M134-A221 HydrophobicContact CE-CB 3.65Å; M134-A221 HydrophobicContact SD-CB 3.9Å; M134-L243 CarbonylContact O-C 3.52Å; M134-L243 WeakPolarHBondContact O-CA 3.3Å; M134-S244 PolarHBondContact N-O 3.37Å; M134-S244 PolarHBondContact O-N 2.9Å; M134-I246 HydrophobicContact CB-CD1 4.39Å
135	I	98.8	Very high	97.5	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	122.3	163.7	-59.3	168.8	0	0	0	107.7	K137 Q176 A179 M180 L192 K193 E194 G195 L243	I135-K137 PolarHBondContact O-N 3.15Å; I135-Q176 HydrophobicContact CG2-CB 4.16Å; I135-Q176 HydrophobicContact CG2-CG 3.98Å; I135-A179 HydrophobicContact CD1-CB 3.89Å; I135-A179 HydrophobicContact CG1-CB 4.32Å; I135-M180 HydrophobicContact CD1-CB 4.03Å; I135-M180 HydrophobicContact CD1-CE 4.05Å; I135-L192 HydrophobicContact CD1-CD1 4.17Å; I135-L192 HydrophobicContact CD1-CD2 4.34Å; I135-L192 HydrophobicContact CD1-CG 4.27Å; I135-L192 HydrophobicContact CG1-CD1 4.18Å; I135-K193 PolarHBondContact N-O 3.4Å; I135-E194 WeakPolarHBondContact O-CA 3.36Å; I135-G195 PolarHBondContact O-N 3.29Å; I135-L243 HydrophobicContact CB-CD2 4.27Å; I135-L243 HydrophobicContact CG1-CD2 3.7Å
136	I	98.9	Very high	97.5	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	113	179.9	-59.9	168.6	0	0	0	108.4	M134 D138 Y171 Q176 Y197 T226 A242	M134-I136 HydrophobicContact CE-CG1 3.8Å; M134-I136 PolarHBondContact O-N 3.45Å; I136-D138 WeakPolarHBondContact CG2-O 3.13Å; I136-Y171 HydrophobicContact CB-CD1 4.37Å; I136-Y171 HydrophobicContact CB-CE1 4.06Å; I136-Y171 HydrophobicContact CG2-CD1 4.16Å; I136-Y171 HydrophobicContact CG2-CD2 4.42Å; I136-Y171 HydrophobicContact CG2-CE1 3.61Å; I136-Y171 HydrophobicContact CG2-CE2 3.92Å; I136-Y171 VanDerWaalsContact CG2-CZ 3.47Å; I136-Q176 PolarHBondContact O-NE2 2.88Å; I136-Y197 HydrophobicContact CD1-CD2 4.38Å; I136-Y197 HydrophobicContact CD1-CG 4.16Å; I136-T226 HydrophobicContact CD1-CG2 4.14Å; I136-A242 HydrophobicContact CB-CB 4.17Å; I136-A242 HydrophobicContact CD1-CB 3.6Å; I136-A242 HydrophobicContact CG1-CB 4.28Å; I136-A242 PolarHBondContact N-O 3.07Å
137	K	98.7	Very high	97.7	Very high	90 Å²	90	46.3 Å²	46.3	39%	0.391	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	-31.4	175.7	70.2	-179.6	172.1	-162.9	0	113.2	I135 Q176 E194 G195 V196	I135-K137 PolarHBondContact O-N 3.15Å; K137-Q176 PolarHBondContact O-NE2 2.88Å; K137-E194 HydrophobicContact CB-CG 3.78Å; K137-E194 HydrophobicContact CD-CG 3.99Å; K137-E194 WeakPolarHBondContact CD-OE1 3.37Å; K137-E194 HydrophobicContact CG-CG 4.2Å; K137-G195 WeakPolarHBondContact CG-O 3.25Å; K137-G195 PolarHBondContact N-O 3.04Å; K137-V196 HydrophobicContact CG-CG2 4.45Å
138	D	98.9	Very high	97.8	Very high	75 Å²	75	43.2 Å²	43.2	40%	0.401	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	172.7	-177.8	-157.1	0.1	0	0	0	110.9	I136 V196 Y197	I136-D138 WeakPolarHBondContact CG2-O 3.13Å; D138-V196 HydrophobicContact CB-CG2 4.33Å; D138-V196 WeakPolarHBondContact O-CA 3.4Å; D138-Y197 PolarHBondContact O-N 3.04Å
139	H	98.9	Very high	97.8	Very high	26 Å²	26	44.7 Å²	44.7	12%	0.12	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	159.7	174.8	67.2	-120.1	0	0	0	116	Y171 Y197 V227	H139-Y171 HydrophobicContact CB-CE2 4.14Å; H139-Y171 WeakPolarHBondContact CB-OH 3.33Å; H139-Y171 AromaticContact ND1-CE2 3.32Å; H139-Y171 VanDerWaalsContact ND1-CE2 3.32Å; H139-Y171 WeakPolarHBondContact ND1-CE2 3.43Å; H139-Y171 AromaticContact ND1-CZ 3.46Å; H139-Y171 PolarHBondContact ND1-OH 2.83Å; H139-Y197 CarbonylContact C-O 3.57Å; H139-Y197 WeakPolarHBondContact CA-O 3.44Å; H139-Y197 WeakPolarHBondContact CB-O 3.49Å; H139-V227 HydrophobicContact CB-CG2 3.61Å
140	I	98.9	Very high	97.9	Very high	31 Å²	31	37.9 Å²	37.9	16%	0.159	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	124	160.5	-58.3	-171.7	0	0	0	109	L142 F145 V196 Y197 C198 V199 L217 V219	I140-L142 HydrophobicContact CG2-CD2 3.99Å; I140-L142 HydrophobicContact CG2-CG 4.03Å; I140-F145 HydrophobicContact CG2-CE2 4.01Å; I140-F145 HydrophobicContact CG2-CZ 4.39Å; I140-V196 HydrophobicContact CG1-CG1 4.22Å; I140-Y197 PolarHBondContact N-O 2.87Å; I140-C198 HydrophobicContact CB-CB 4.33Å; I140-C198 WeakPolarHBondContact O-CA 3.49Å; I140-V199 PolarHBondContact O-N 3.41Å; I140-V199 VanDerWaalsContact O-N 3.07Å; I140-L217 HydrophobicContact CD1-CB 4.31Å; I140-V219 HydrophobicContact CD1-CG2 3.6Å; I140-V219 HydrophobicContact CG1-CG2 4.29Å
141	N	98.6	Very high	98	Very high	15 Å²	15	36.5 Å²	36.5	8%	0.08	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	77.4	178.6	-174.5	12.5	0	0	0	111.5	G144 F145 V199 V227 I231	N141-G144 WeakPolarHBondContact ND2-CA 3.38Å; N141-G144 WeakPolarHBondContact O-CA 3.45Å; N141-G144 PolarHBondContact O-N 2.98Å; N141-G144 PolarHBondContact OD1-N 2.95Å; N141-G144 VanDerWaalsContact OD1-N 3.12Å; N141-F145 PolarHBondContact O-N 3.38Å; N141-F145 VanDerWaalsContact O-N 3.13Å; N141-V199 HydrophobicContact CB-CG1 4.45Å; N141-V227 HydrophobicContact CB-CG1 3.71Å; N141-I231 WeakPolarHBondContact ND2-CD1 3.45Å
142	L	98.3	Very high	98.1	Very high	51 Å²	51	40.2 Å²	40.2	27%	0.267	23%	0.233	S	C	.	.	H	α-helix	trans	-59.1	-45	-177.8	-73.9	-178.9	0	0	0	113.8	I140 G144 F145 L200 L214	I140-L142 HydrophobicContact CG2-CD2 3.99Å; I140-L142 HydrophobicContact CG2-CG 4.03Å; L142-G144 PolarHBondContact O-N 3.47Å; L142-F145 HydrophobicContact CD2-CD2 3.96Å; L142-F145 HydrophobicContact CD2-CE2 4.26Å; L142-F145 PolarHBondContact O-N 2.86Å; L142-L200 HydrophobicContact CB-CD2 4.43Å; L142-L200 HydrophobicContact CD1-CD2 3.47Å; L142-L200 VanDerWaalsContact CD1-CD2 3.47Å; L142-L200 HydrophobicContact CG-CD2 4.49Å; L142-L214 HydrophobicContact CD1-CD2 3.74Å
143	P	98.1	Very high	97.9	Very high	10 Å²	10	41.5 Å²	41.5	7%	0.065	25%	0.247	C	C	.	.	H	α-helix	trans	-57.4	-37	172.3	-25.6	35.5	0	0	0	112.6	L91 F145 A146 G147 N148 V199	L91-P143 HydrophobicContact CD1-CB 4.43Å; L91-P143 HydrophobicContact CD1-CG 4.42Å; P143-F145 PolarHBondContact O-N 2.83Å; P143-A146 PolarHBondContact O-N 3.23Å; P143-G147 PolarHBondContact O-N 3.16Å; P143-N148 CarbonylContact C-O 3.45Å; P143-N148 HydrophobicContact CB-CB 4.09Å; P143-N148 WeakPolarHBondContact O-CA 3.43Å; P143-N148 WeakPolarHBondContact O-CB 3.3Å; P143-N148 PolarHBondContact O-N 3.31Å; P143-V199 VanDerWaalsContact CD-O 3.29Å; P143-V199 WeakPolarHBondContact CD-O 3.32Å
144	G	98.2	Very high	97.7	Very high	18 Å²	18	48 Å²	48	19%	0.186	29%	0.289	C	S	.	.	H	α-helix	trans	-62.5	-38.4	177.7	0	0	0	0	0	113.9	N141 L142 A146 G147 N148	N141-G144 WeakPolarHBondContact ND2-CA 3.38Å; N141-G144 WeakPolarHBondContact O-CA 3.45Å; N141-G144 PolarHBondContact O-N 2.98Å; N141-G144 PolarHBondContact OD1-N 2.95Å; N141-G144 VanDerWaalsContact OD1-N 3.12Å; L142-G144 PolarHBondContact O-N 3.47Å; G144-A146 PolarHBondContact O-N 3.43Å; G144-G147 PolarHBondContact O-N 2.81Å; G144-N148 PolarHBondContact N-O 3.1Å
145	F	98.3	Very high	97.6	Very high	166 Å²	166	50.2 Å²	50.2	73%	0.728	30%	0.301	S	S	*	.	H	α-helix	trans	-62.6	-30.8	175.9	-66.8	-19.4	0	0	0	112.7	I140 N141 L142 P143 G147	I140-F145 HydrophobicContact CG2-CE2 4.01Å; I140-F145 HydrophobicContact CG2-CZ 4.39Å; N141-F145 PolarHBondContact O-N 3.38Å; N141-F145 VanDerWaalsContact O-N 3.13Å; L142-F145 HydrophobicContact CD2-CD2 3.96Å; L142-F145 HydrophobicContact CD2-CE2 4.26Å; L142-F145 PolarHBondContact O-N 2.86Å; P143-F145 PolarHBondContact O-N 2.83Å; F145-G147 VanDerWaalsContact C-N 3.28Å; F145-G147 PolarHBondContact O-N 3.11Å
146	A	97.4	Very high	97.4	Very high	94 Å²	94	51.7 Å²	51.7	78%	0.777	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	6.7	175.1	0	0	0	0	0	113.7	P143 G144	P143-A146 PolarHBondContact O-N 3.23Å; G144-A146 PolarHBondContact O-N 3.43Å
147	G	96.6	Very high	97	Very high	44 Å²	44	57.3 Å²	57.3	45%	0.454	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.6	2.3	-179.7	0	0	0	0	0	114.9	P143 G144 F145 N149 V152	P143-G147 PolarHBondContact O-N 3.16Å; G144-G147 PolarHBondContact O-N 2.81Å; F145-G147 VanDerWaalsContact C-N 3.28Å; F145-G147 PolarHBondContact O-N 3.11Å; G147-N149 PolarHBondContact O-N 2.82Å; G147-N149 VanDerWaalsContact O-N 3.14Å; G147-V152 WeakPolarHBondContact O-CG2 3.28Å
148	N	97	Very high	96.7	Very high	64 Å²	64	58.4 Å²	58.4	34%	0.342	36%	0.355	S	S	.	.			trans	-86.3	79.3	171.7	-166.8	11.1	0	0	0	109.9	I97 P143 G144	I97-N148 VanDerWaalsContact CD1-O 3.3Å; I97-N148 WeakPolarHBondContact CD1-O 3.49Å; I97-N148 WeakPolarHBondContact CG2-OD1 3.39Å; P143-N148 CarbonylContact C-O 3.45Å; P143-N148 HydrophobicContact CB-CB 4.09Å; P143-N148 WeakPolarHBondContact O-CA 3.43Å; P143-N148 WeakPolarHBondContact O-CB 3.3Å; P143-N148 PolarHBondContact O-N 3.31Å; G144-N148 PolarHBondContact N-O 3.1Å
149	N	98.2	Very high	96.5	Very high	41 Å²	41	60 Å²	60	22%	0.219	36%	0.355	C	S	.	.			trans	-124.7	139.3	-178.9	-176.6	-57.2	0	0	0	110	G147 L151 V152	G147-N149 PolarHBondContact O-N 2.82Å; G147-N149 VanDerWaalsContact O-N 3.14Å; N149-L151 PolarHBondContact O-N 3.13Å; N149-L151 WeakPolarHBondContact OD1-CB 3.38Å; N149-L151 PolarHBondContact OD1-N 3.44Å; N149-V152 HydrophobicContact CB-CG2 3.89Å; N149-V152 WeakPolarHBondContact O-CB 3.49Å; N149-V152 WeakPolarHBondContact O-CG2 3.34Å; N149-V152 PolarHBondContact O-N 3.26Å
150	P	97.3	Very high	96.3	Very high	2 Å²	2	59.4 Å²	59.4	1%	0.013	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-15.8	-178.8	27.1	-36.7	0	0	0	114.7	I97 T101 H228 I231 V232	I97-P150 HydrophobicContact CG1-CB 4.15Å; T101-P150 HydrophobicContact CG2-CB 4.05Å; T101-P150 HydrophobicContact CG2-CG 4.4Å; P150-H228 HydrophobicContact CG-CB 4.31Å; P150-I231 HydrophobicContact CG-CB 4.13Å; P150-I231 HydrophobicContact CG-CG2 3.83Å; P150-V232 HydrophobicContact CB-CG2 3.55Å; P150-V232 HydrophobicContact CG-CG2 3.68Å
151	L	97.4	Very high	96.2	Very high	30 Å²	30	58.5 Å²	58.5	16%	0.157	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	2.4	178.2	-51.2	-177.9	0	0	0	113.3	N149 G153 P165 I231 V232 H235	N149-L151 PolarHBondContact O-N 3.13Å; N149-L151 WeakPolarHBondContact OD1-CB 3.38Å; N149-L151 PolarHBondContact OD1-N 3.44Å; L151-G153 PolarHBondContact O-N 3.38Å; L151-P165 HydrophobicContact CD1-CG 3.54Å; L151-I231 HydrophobicContact CD1-CG2 3.62Å; L151-I231 HydrophobicContact CG-CG2 3.78Å; L151-V232 HydrophobicContact CD2-CG2 4.33Å; L151-H235 HydrophobicContact CD1-CB 4.06Å; L151-H235 HydrophobicContact CD2-CB 4.1Å
152	V	96.8	Very high	96.2	Very high	81 Å²	81	61.5 Å²	61.5	49%	0.491	37%	0.369	S	S	.	.			trans	-66.7	129.9	169.2	176.3	0	0	0	0	109.6	Q98 G147 N149	Q98-V152 PolarHBondContact NE2-O 3Å; G147-V152 WeakPolarHBondContact O-CG2 3.28Å; N149-V152 HydrophobicContact CB-CG2 3.89Å; N149-V152 WeakPolarHBondContact O-CB 3.49Å; N149-V152 WeakPolarHBondContact O-CG2 3.34Å; N149-V152 PolarHBondContact O-N 3.26Å
153	G	94.6	Very high	96.1	Very high	33 Å²	33	63.9 Å²	63.9	34%	0.34	37%	0.374	S	S	.	.	S	Bend	trans	124.6	-171.9	-175.7	0	0	0	0	0	112	L151 R163	L151-G153 PolarHBondContact O-N 3.38Å; G153-R163 PolarHBondContact O-NH1 3.21Å; G153-R163 PolarHBondContact O-NH2 3.5Å
154	P	94.3	Very high	96.1	Very high	135 Å²	135	71.7 Å²	71.7	88%	0.877	41%	0.408	S	S	*	.			trans	-59.3	146	168.8	-22.4	34.4	0	0	0	111.6
155	N	95.8	Very high	96.1	Very high	47 Å²	47	72.4 Å²	72.4	25%	0.251	41%	0.409	S	S	.	.			trans	-105.3	144.3	176.8	-174	52.4	0	0	0	111.4	G161 R163 H235	N155-G161 PolarHBondContact ND2-O 2.98Å; N155-R163 WeakPolarHBondContact ND2-CA 3.26Å; N155-R163 PolarHBondContact ND2-N 3.28Å; N155-H235 PolarHBondContact OD1-CE1 2.79Å; N155-H235 PolarHBondContact OD1-NE2 3.36Å; N155-H235 VanDerWaalsContact OD1-NE2 3.11Å
156	D	94.2	Very high	96.1	Very high	32 Å²	32	68.2 Å²	68.2	17%	0.171	40%	0.399	C	S	.	.			trans	-107.9	81.7	176.5	-166	-19.5	0	0	0	109.9	R159 F160	D156-R159 VanDerWaalsContact CG-NE 3.3Å; D156-R159 WeakPolarHBondContact OD1-CB 3.45Å; D156-R159 IonicContact OD1-CZ 3.6Å; D156-R159 IonicContact OD1-NE 3.02Å; D156-R159 PolarHBondContact OD1-NE 2.09Å; D156-R159 IonicContact OD1-NH2 3.6Å; D156-R159 IonicContact OD2-CZ 3.33Å; D156-R159 IonicContact OD2-NE 3.95Å; D156-R159 PolarHBondContact OD2-NE 3.47Å; D156-R159 IonicContact OD2-NH2 3.68Å; D156-R159 PolarHBondContact OD2-NH2 2.93Å; D156-F160 HydrophobicContact CB-CD2 4.1Å; D156-F160 PolarHBondContact O-N 3.14Å; D156-F160 VanDerWaalsContact O-N 3.07Å
157	E	91.1	Very high	96.1	Very high	119 Å²	119	65.9 Å²	65.9	56%	0.556	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-35.8	-165.9	-172.6	153	-138.7	0	0	114	G161 R163	E157-G161 VanDerWaalsContact CA-O 3.27Å; E157-G161 WeakPolarHBondContact CA-O 3.18Å; E157-R163 PolarHBondContact OE1-N 2.79Å
158	S	91.4	Very high	96.2	Very high	113 Å²	113	68.7 Å²	68.7	79%	0.79	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-24.5	-177.8	56.3	0	0	0	0	113.4
159	R	94.6	Very high	96.2	Very high	107 Å²	107	69.3 Å²	69.3	40%	0.404	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	-27.8	-169.9	-65.2	178.7	-69.7	-175.1	-1.8	114.7	Y11 E12 D156	Y11-R159 HydrophobicContact CD2-CB 3.7Å; Y11-R159 HydrophobicContact CD2-CG 4.28Å; Y11-R159 HydrophobicContact CE2-CB 3.59Å; Y11-R159 HydrophobicContact CE2-CG 4.03Å; E12-R159 IonicContact OE1-NH1 3.51Å; E12-R159 PolarHBondContact OE1-NH1 3.36Å; D156-R159 VanDerWaalsContact CG-NE 3.3Å; D156-R159 WeakPolarHBondContact OD1-CB 3.45Å; D156-R159 IonicContact OD1-CZ 3.6Å; D156-R159 IonicContact OD1-NE 3.02Å; D156-R159 PolarHBondContact OD1-NE 2.09Å; D156-R159 IonicContact OD1-NH2 3.6Å; D156-R159 IonicContact OD2-CZ 3.33Å; D156-R159 IonicContact OD2-NE 3.95Å; D156-R159 PolarHBondContact OD2-NE 3.47Å; D156-R159 IonicContact OD2-NH2 3.68Å; D156-R159 PolarHBondContact OD2-NH2 2.93Å
160	F	96.1	Very high	96.2	Very high	15 Å²	15	67.4 Å²	67.4	7%	0.066	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.9	-57.7	178.3	-72.2	-58.4	0	0	0	113	Y11 C14 R105 L109 D156 C236	Y11-F160 HydrophobicContact CD2-CD2 4.32Å; Y11-F160 HydrophobicContact CD2-CE1 4.35Å; Y11-F160 AromaticContact CD2-CE2 3.6Å; Y11-F160 HydrophobicContact CD2-CE2 3.6Å; Y11-F160 AromaticContact CD2-CZ 3.6Å; Y11-F160 HydrophobicContact CD2-CZ 3.6Å; Y11-F160 HydrophobicContact CE2-CZ 4.27Å; Y11-F160 HydrophobicContact CG-CE2 4.34Å; C14-F160 HydrophobicContact CB-CZ 4.25Å; R105-F160 HydrophobicContact CB-CD1 4.4Å; R105-F160 HydrophobicContact CB-CE1 3.66Å; R105-F160 HydrophobicContact CB-CZ 3.9Å; R105-F160 HydrophobicContact CG-CD1 4.12Å; R105-F160 HydrophobicContact CG-CE1 3.8Å; R105-F160 HydrophobicContact CG-CE2 4.49Å; R105-F160 HydrophobicContact CG-CZ 4.01Å; L109-F160 HydrophobicContact CD1-CE1 4.45Å; L109-F160 HydrophobicContact CD1-CZ 4.49Å; L109-F160 HydrophobicContact CD2-CE1 4.46Å; L109-F160 HydrophobicContact CG-CE1 4.37Å; D156-F160 HydrophobicContact CB-CD2 4.1Å; D156-F160 PolarHBondContact O-N 3.14Å; D156-F160 VanDerWaalsContact O-N 3.07Å; F160-C236 WeakPolarHBondContact O-CA 3.29Å
161	G	96.4	Very high	96.3	Very high	11 Å²	11	67.7 Å²	67.7	11%	0.113	38%	0.38	C	S	.	.			trans	177.6	167.8	-172.5	0	0	0	0	0	114.5	N155 E157 H235	N155-G161 PolarHBondContact ND2-O 2.98Å; E157-G161 VanDerWaalsContact CA-O 3.27Å; E157-G161 WeakPolarHBondContact CA-O 3.18Å; G161-H235 VanDerWaalsContact C-NE2 3.29Å; G161-H235 VanDerWaalsContact CA-O 3.29Å; G161-H235 WeakPolarHBondContact CA-O 3.27Å; G161-H235 PolarHBondContact O-NE2 3.29Å; G161-H235 VanDerWaalsContact O-NE2 3.14Å
162	V	97.8	Very high	96.3	Very high	79 Å²	79	67.5 Å²	67.5	48%	0.479	38%	0.379	S	S	.	.			trans	-60.6	152.5	-177	-62.7	0	0	0	0	112.8	F164 P165 H235	V162-F164 PolarHBondContact O-N 3.41Å; V162-F164 VanDerWaalsContact O-N 3.16Å; V162-P165 HydrophobicContact CG2-CB 4.28Å; V162-H235 PolarHBondContact O-CD2 2.88Å; V162-H235 PolarHBondContact O-NE2 2.86Å
163	R	97.4	Very high	96.4	Very high	100 Å²	100	72.9 Å²	72.9	38%	0.377	39%	0.39	S	S	.	.	S	Bend	trans	-56.9	-34.5	-179.7	177.2	59.9	-170.7	-170.9	7	113.8	G153 N155 E157	G153-R163 PolarHBondContact O-NH1 3.21Å; G153-R163 PolarHBondContact O-NH2 3.5Å; N155-R163 WeakPolarHBondContact ND2-CA 3.26Å; N155-R163 PolarHBondContact ND2-N 3.28Å; E157-R163 PolarHBondContact OE1-N 2.79Å
164	F	98	Very high	96.5	Very high	175 Å²	175	77 Å²	77	77%	0.768	41%	0.405	S	S	*	.	S	Bend	trans	-128	80.5	-175.3	-55.6	-68.1	0	0	0	109.6	V162	V162-F164 PolarHBondContact O-N 3.41Å; V162-F164 VanDerWaalsContact O-N 3.16Å
165	P	97.6	Very high	96.7	Very high	33 Å²	33	70.7 Å²	70.7	21%	0.214	36%	0.363	C	S	.	.			trans	-69.6	142.1	-179.6	29.1	-34.3	0	0	0	111	L151 V162 H235	L151-P165 HydrophobicContact CD1-CG 3.54Å; V162-P165 HydrophobicContact CG2-CB 4.28Å; P165-H235 HydrophobicContact CG-CB 4.36Å
166	C	97.3	Very high	96.8	Very high	77 Å²	77	69.4 Å²	69.4	52%	0.52	36%	0.356	S	S	.	.			trans	-72.8	139.2	170.8	-167.9	0	0	0	0	110	S168	C166-S168 PolarHBondContact SG-OG 3.14Å
167	M	98.6	Very high	97	Very high	46 Å²	46	72.8 Å²	72.8	23%	0.227	37%	0.371	C	S	.	.			trans	-120	-1.5	177.7	-64.4	-57.4	-64.3	0	0	113.4	D169 A170 V230 I231 R234	M167-D169 PolarHBondContact O-N 3.37Å; M167-A170 HydrophobicContact CB-CB 4.36Å; M167-A170 HydrophobicContact CE-CB 3.39Å; M167-A170 WeakPolarHBondContact O-CB 3.38Å; M167-A170 PolarHBondContact O-N 2.87Å; M167-A170 VanDerWaalsContact O-N 3.1Å; M167-A170 HydrophobicContact SD-CB 4.32Å; M167-V230 HydrophobicContact CE-CG1 4.19Å; M167-I231 HydrophobicContact CE-CB 4.25Å; M167-I231 HydrophobicContact CE-CG1 3.63Å; M167-I231 HydrophobicContact SD-CG1 4.42Å; M167-R234 HydrophobicContact CE-CB 4.33Å; M167-R234 HydrophobicContact CE-CG 4.28Å; M167-R234 HydrophobicContact SD-CB 3.97Å; M167-R234 HydrophobicContact SD-CG 4.47Å
168	S	98.1	Very high	97.4	Very high	103 Å²	103	68 Å²	68	72%	0.72	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-9.2	177	59	0	0	0	0	113.5	C166	C166-S168 PolarHBondContact SG-OG 3.14Å
169	D	97.6	Very high	97.7	Very high	76 Å²	76	62.6 Å²	62.6	41%	0.406	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.1	24.5	172.9	74.1	-14.7	0	0	0	111.4	M167 Y171 R234	M167-D169 PolarHBondContact O-N 3.37Å; D169-Y171 PolarHBondContact O-N 2.9Å; D169-R234 PolarHBondContact O-NH2 3.3Å; D169-R234 IonicContact OD1-CZ 3.6Å; D169-R234 IonicContact OD1-NE 3.99Å; D169-R234 IonicContact OD1-NH2 3.88Å; D169-R234 PolarHBondContact OD1-NH2 3.01Å; D169-R234 IonicContact OD2-NH2 3.81Å; D169-R234 PolarHBondContact OD2-NH2 2.87Å
170	A	98.6	Very high	97.9	Very high	2 Å²	2	59.6 Å²	59.6	2%	0.017	30%	0.302	C	S	.	.			trans	-61.4	-28.2	-172.2	0	0	0	0	0	114.1	M167 V230 R234	M167-A170 HydrophobicContact CB-CB 4.36Å; M167-A170 HydrophobicContact CE-CB 3.39Å; M167-A170 WeakPolarHBondContact O-CB 3.38Å; M167-A170 PolarHBondContact O-N 2.87Å; M167-A170 VanDerWaalsContact O-N 3.1Å; M167-A170 HydrophobicContact SD-CB 4.32Å; A170-V230 HydrophobicContact CB-CG1 4.08Å; A170-R234 HydrophobicContact CB-CG 4.14Å; A170-R234 WeakPolarHBondContact O-CD 3.42Å; A170-R234 WeakPolarHBondContact O-CG 3.26Å
171	Y	98.8	Very high	98	Very high	7 Å²	7	62.4 Å²	62.4	3%	0.027	32%	0.315	C	S	.	.	S	Bend	trans	-109.9	120.8	174.1	-57.6	-85	0	0	0	107.5	I136 H139 D169 R173 V230 V240 A242	I136-Y171 HydrophobicContact CB-CD1 4.37Å; I136-Y171 HydrophobicContact CB-CE1 4.06Å; I136-Y171 HydrophobicContact CG2-CD1 4.16Å; I136-Y171 HydrophobicContact CG2-CD2 4.42Å; I136-Y171 HydrophobicContact CG2-CE1 3.61Å; I136-Y171 HydrophobicContact CG2-CE2 3.92Å; I136-Y171 VanDerWaalsContact CG2-CZ 3.47Å; H139-Y171 HydrophobicContact CB-CE2 4.14Å; H139-Y171 WeakPolarHBondContact CB-OH 3.33Å; H139-Y171 AromaticContact ND1-CE2 3.32Å; H139-Y171 VanDerWaalsContact ND1-CE2 3.32Å; H139-Y171 WeakPolarHBondContact ND1-CE2 3.43Å; H139-Y171 AromaticContact ND1-CZ 3.46Å; H139-Y171 PolarHBondContact ND1-OH 2.83Å; D169-Y171 PolarHBondContact O-N 2.9Å; Y171-R173 PolarHBondContact O-N 2.95Å; Y171-V230 HydrophobicContact CE1-CG1 4.08Å; Y171-V230 HydrophobicContact CE1-CG2 3.81Å; Y171-V240 HydrophobicContact CD1-CG1 4.47Å; Y171-A242 HydrophobicContact CD1-CB 4.11Å; Y171-A242 HydrophobicContact CE1-CB 3.75Å
172	D	98.4	Very high	98.1	Very high	26 Å²	26	61.9 Å²	61.9	14%	0.139	31%	0.31	C	S	.	.			trans	-70.3	118.4	-170.1	-174.7	-75	0	0	0	110.2	D174 L175 Q176 R239 V240	D172-D174 VanDerWaalsContact C-N 3.29Å; D172-D174 PolarHBondContact O-N 3.05Å; D172-D174 WeakPolarHBondContact OD1-CB 3.4Å; D172-D174 PolarHBondContact OD1-N 3.28Å; D172-D174 VanDerWaalsContact OD1-N 3.16Å; D172-L175 HydrophobicContact CB-CB 4.06Å; D172-L175 HydrophobicContact CB-CD1 3.87Å; D172-L175 HydrophobicContact CB-CG 3.92Å; D172-L175 PolarHBondContact O-N 2.61Å; D172-L175 VanDerWaalsContact O-N 3.14Å; D172-L175 WeakPolarHBondContact OD1-CG 3.23Å; D172-L175 PolarHBondContact OD1-N 3.39Å; D172-Q176 WeakPolarHBondContact O-CG 3.46Å; D172-Q176 PolarHBondContact O-N 3.37Å; D172-R239 HydrophobicContact CB-CB 4.39Å; D172-R239 IonicContact OD1-CZ 3.66Å; D172-R239 IonicContact OD1-NE 3.13Å; D172-R239 IonicContact OD1-NH2 2.81Å; D172-R239 PolarHBondContact OD1-NH2 3.16Å; D172-R239 IonicContact OD2-CZ 3.51Å; D172-R239 IonicContact OD2-NE 3.65Å; D172-R239 PolarHBondContact OD2-NE 2.8Å; D172-R239 IonicContact OD2-NH2 3.39Å; D172-R239 PolarHBondContact OD2-NH2 3.29Å; D172-V240 WeakPolarHBondContact CB-O 3.16Å; D172-V240 PolarHBondContact N-O 3.15Å
173	R	97.4	Very high	98.1	Very high	195 Å²	195	58.1 Å²	58.1	74%	0.736	29%	0.287	S	S	*	.	H	α-helix	trans	-60.9	-37.6	-174.4	-68.2	-175.4	-178.9	177.4	0.6	112.7	Y171 L175 Q176 Q177	Y171-R173 PolarHBondContact O-N 2.95Å; R173-L175 VanDerWaalsContact C-N 3.35Å; R173-Q176 PolarHBondContact O-N 2.87Å; R173-Q177 WeakPolarHBondContact O-CB 3.36Å; R173-Q177 PolarHBondContact O-N 3.49Å
174	D	97.8	Very high	98.2	Very high	119 Å²	119	58.1 Å²	58.1	64%	0.636	29%	0.292	S	S	*	.	H	α-helix	trans	-69.3	-37.5	179.2	-60.4	-24.4	0	0	0	110.5	D172 L178	D172-D174 VanDerWaalsContact C-N 3.29Å; D172-D174 PolarHBondContact O-N 3.05Å; D172-D174 WeakPolarHBondContact OD1-CB 3.4Å; D172-D174 PolarHBondContact OD1-N 3.28Å; D172-D174 VanDerWaalsContact OD1-N 3.16Å; D174-L178 VanDerWaalsContact O-CB 3.25Å; D174-L178 WeakPolarHBondContact O-CB 3.34Å; D174-L178 PolarHBondContact O-N 3.37Å
175	L	98.3	Very high	98.2	Very high	2 Å²	2	56 Å²	56	1%	0.01	28%	0.284	C	S	.	.	H	α-helix	trans	-70.6	-34.9	174.5	-61.7	-179.2	0	0	0	112.9	T114 D172 R173 L178 A179 R239 V241 I287	T114-L175 HydrophobicContact CG2-CD1 3.5Å; D172-L175 HydrophobicContact CB-CB 4.06Å; D172-L175 HydrophobicContact CB-CD1 3.87Å; D172-L175 HydrophobicContact CB-CG 3.92Å; D172-L175 PolarHBondContact O-N 2.61Å; D172-L175 VanDerWaalsContact O-N 3.14Å; D172-L175 WeakPolarHBondContact OD1-CG 3.23Å; D172-L175 PolarHBondContact OD1-N 3.39Å; R173-L175 VanDerWaalsContact C-N 3.35Å; L175-L178 HydrophobicContact CD2-CD2 4.47Å; L175-A179 WeakPolarHBondContact O-CB 3.15Å; L175-A179 PolarHBondContact O-N 3.36Å; L175-R239 HydrophobicContact CD1-CB 3.89Å; L175-V241 HydrophobicContact CB-CB 3.78Å; L175-V241 HydrophobicContact CB-CG1 4.3Å; L175-V241 HydrophobicContact CB-CG2 4.33Å; L175-V241 HydrophobicContact CD1-CB 4.21Å; L175-V241 HydrophobicContact CD1-CG1 4.25Å; L175-I287 HydrophobicContact CD2-CG1 4.03Å
176	Q	98.5	Very high	98.2	Very high	21 Å²	21	57.5 Å²	57.5	10%	0.098	29%	0.29	C	S	.	.	H	α-helix	trans	-62.9	-48.7	172.8	-71.6	169.6	-4.4	0	0	111	I135 I136 K137 D172 R173 L178 A179 M180	I135-Q176 HydrophobicContact CG2-CB 4.16Å; I135-Q176 HydrophobicContact CG2-CG 3.98Å; I136-Q176 PolarHBondContact O-NE2 2.88Å; K137-Q176 PolarHBondContact O-NE2 2.88Å; D172-Q176 WeakPolarHBondContact O-CG 3.46Å; D172-Q176 PolarHBondContact O-N 3.37Å; R173-Q176 PolarHBondContact O-N 2.87Å; Q176-L178 VanDerWaalsContact C-N 3.32Å; Q176-L178 PolarHBondContact O-N 3.48Å; Q176-A179 PolarHBondContact O-N 2.9Å; Q176-M180 PolarHBondContact O-N 2.9Å
177	Q	98.3	Very high	98.2	Very high	103 Å²	103	56.5 Å²	56.5	48%	0.481	29%	0.293	S	S	.	.	H	α-helix	trans	-60.5	-43.8	177.3	-178.7	57.6	39.5	0	0	110.9	R173 A179 M180 E181	R173-Q177 WeakPolarHBondContact O-CB 3.36Å; R173-Q177 PolarHBondContact O-N 3.49Å; Q177-A179 PolarHBondContact O-N 2.84Å; Q177-M180 WeakPolarHBondContact O-CB 3.43Å; Q177-M180 PolarHBondContact O-N 3Å; Q177-E181 WeakPolarHBondContact CG-OE1 3.33Å; Q177-E181 PolarHBondContact NE2-OE1 2.93Å; Q177-E181 WeakPolarHBondContact O-CG 3.23Å; Q177-E181 PolarHBondContact O-N 2.74Å
178	L	98.4	Very high	98.2	Very high	18 Å²	18	55 Å²	55	9%	0.094	29%	0.285	C	S	.	.	H	α-helix	trans	-59.7	-44.6	174.2	175.6	61.9	0	0	0	112.2	D174 L175 Q176 M180 E181 V182 V283 R286 I287	D174-L178 VanDerWaalsContact O-CB 3.25Å; D174-L178 WeakPolarHBondContact O-CB 3.34Å; D174-L178 PolarHBondContact O-N 3.37Å; L175-L178 HydrophobicContact CD2-CD2 4.47Å; Q176-L178 VanDerWaalsContact C-N 3.32Å; Q176-L178 PolarHBondContact O-N 3.48Å; L178-M180 VanDerWaalsContact C-N 3.31Å; L178-M180 PolarHBondContact O-N 3.07Å; L178-E181 PolarHBondContact O-N 2.94Å; L178-V182 HydrophobicContact CD1-CG2 3.93Å; L178-V182 HydrophobicContact CG-CG2 4.43Å; L178-V182 WeakPolarHBondContact O-CB 3.32Å; L178-V182 VanDerWaalsContact O-CG2 3.26Å; L178-V182 WeakPolarHBondContact O-CG2 3.28Å; L178-V182 PolarHBondContact O-N 2.97Å; L178-V283 HydrophobicContact CD2-CG1 4.22Å; L178-R286 HydrophobicContact CD1-CB 3.66Å; L178-R286 HydrophobicContact CD1-CG 4.42Å; L178-R286 HydrophobicContact CD2-CB 3.94Å; L178-R286 HydrophobicContact CG-CB 4.36Å; L178-I287 HydrophobicContact CD2-CG1 4.43Å
179	A	98.4	Very high	98.1	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-63.5	-38.6	177.2	0	0	0	0	0	112.1	I135 L175 Q176 Q177 G183 V241 V283	I135-A179 HydrophobicContact CD1-CB 3.89Å; I135-A179 HydrophobicContact CG1-CB 4.32Å; L175-A179 WeakPolarHBondContact O-CB 3.15Å; L175-A179 PolarHBondContact O-N 3.36Å; Q176-A179 PolarHBondContact O-N 2.9Å; Q177-A179 PolarHBondContact O-N 2.84Å; A179-G183 PolarHBondContact O-N 3.29Å; A179-V241 HydrophobicContact CB-CG2 4.36Å; A179-V283 HydrophobicContact CB-CG2 4.03Å
180	M	98.4	Very high	98.1	Very high	44 Å²	44	52 Å²	52	22%	0.217	28%	0.279	C	S	.	.	H	α-helix	trans	-62.7	-51.7	174.2	-176.3	60.9	73.3	0	0	111.1	I135 Q176 Q177 L178 V182 G183 Q184 L192 E194	I135-M180 HydrophobicContact CD1-CB 4.03Å; I135-M180 HydrophobicContact CD1-CE 4.05Å; Q176-M180 PolarHBondContact O-N 2.9Å; Q177-M180 WeakPolarHBondContact O-CB 3.43Å; Q177-M180 PolarHBondContact O-N 3Å; L178-M180 VanDerWaalsContact C-N 3.31Å; L178-M180 PolarHBondContact O-N 3.07Å; M180-V182 PolarHBondContact O-N 3.33Å; M180-G183 PolarHBondContact O-N 2.84Å; M180-Q184 WeakPolarHBondContact O-CG 3.43Å; M180-Q184 PolarHBondContact O-N 3.02Å; M180-Q184 HydrophobicContact SD-CG 4.49Å; M180-L192 HydrophobicContact SD-CD2 3.66Å; M180-L192 HydrophobicContact SD-CG 4.24Å; M180-E194 HydrophobicContact CE-CB 4.49Å
181	E	98.4	Very high	97.9	Very high	73 Å²	73	53.2 Å²	53.2	34%	0.341	28%	0.284	S	S	.	.	H	α-helix	trans	-57.4	-51.2	179	-74.9	170.6	-165.1	0	0	112.4	Q177 L178 G183 Q184 E185 R286	Q177-E181 WeakPolarHBondContact CG-OE1 3.33Å; Q177-E181 PolarHBondContact NE2-OE1 2.93Å; Q177-E181 WeakPolarHBondContact O-CG 3.23Å; Q177-E181 PolarHBondContact O-N 2.74Å; L178-E181 PolarHBondContact O-N 2.94Å; E181-G183 VanDerWaalsContact C-N 3.26Å; E181-G183 PolarHBondContact O-N 2.94Å; E181-Q184 PolarHBondContact O-N 2.9Å; E181-Q184 VanDerWaalsContact O-N 3.13Å; E181-E185 WeakPolarHBondContact O-CG 3.31Å; E181-E185 PolarHBondContact O-N 3.49Å; E181-R286 IonicContact OE2-NH2 3.16Å; E181-R286 PolarHBondContact OE2-NH2 3.17Å; E181-R286 VanDerWaalsContact OE2-NH2 3.16Å
182	V	98.5	Very high	97.9	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.006	29%	0.286	C	S	.	.	H	α-helix	trans	-58.9	-42.2	177.7	170.1	0	0	0	0	110.5	L178 M180 E185 L186 L279 V283	L178-V182 HydrophobicContact CD1-CG2 3.93Å; L178-V182 HydrophobicContact CG-CG2 4.43Å; L178-V182 WeakPolarHBondContact O-CB 3.32Å; L178-V182 VanDerWaalsContact O-CG2 3.26Å; L178-V182 WeakPolarHBondContact O-CG2 3.28Å; L178-V182 PolarHBondContact O-N 2.97Å; M180-V182 PolarHBondContact O-N 3.33Å; V182-E185 PolarHBondContact O-N 2.88Å; V182-L186 HydrophobicContact CG1-CD1 3.89Å; V182-L186 HydrophobicContact CG1-CG 4.42Å; V182-L186 WeakPolarHBondContact O-CB 3.42Å; V182-L186 VanDerWaalsContact O-CG 3.24Å; V182-L186 WeakPolarHBondContact O-CG 3.41Å; V182-L186 PolarHBondContact O-N 2.91Å; V182-L279 HydrophobicContact CB-CD1 4.2Å; V182-L279 HydrophobicContact CG1-CD1 3.76Å; V182-V283 HydrophobicContact CB-CG2 4.1Å; V182-V283 HydrophobicContact CG1-CG2 4.15Å; V182-V283 HydrophobicContact CG2-CG2 4.23Å
183	G	98.1	Very high	97.9	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-65	-38.7	177.2	0	0	0	0	0	113	A179 M180 E181 L186 G187 Y188	A179-G183 PolarHBondContact O-N 3.29Å; M180-G183 PolarHBondContact O-N 2.84Å; E181-G183 VanDerWaalsContact C-N 3.26Å; E181-G183 PolarHBondContact O-N 2.94Å; G183-L186 PolarHBondContact O-N 3.07Å; G183-G187 PolarHBondContact O-N 2.75Å; G183-Y188 WeakPolarHBondContact O-CA 3.28Å; G183-Y188 VanDerWaalsContact O-CB 3.28Å; G183-Y188 WeakPolarHBondContact O-CB 3.5Å; G183-Y188 PolarHBondContact O-N 2.98Å
184	Q	97.9	Very high	97.9	Very high	100 Å²	100	49.5 Å²	49.5	47%	0.467	27%	0.274	S	S	.	.	H	α-helix	trans	-64.7	-43.7	173.2	-65.1	-60.1	-22.7	0	0	111.8	M180 E181 L186 G187	M180-Q184 WeakPolarHBondContact O-CG 3.43Å; M180-Q184 PolarHBondContact O-N 3.02Å; M180-Q184 HydrophobicContact SD-CG 4.49Å; E181-Q184 PolarHBondContact O-N 2.9Å; E181-Q184 VanDerWaalsContact O-N 3.13Å; Q184-L186 VanDerWaalsContact C-N 3.27Å; Q184-L186 PolarHBondContact O-N 3.17Å; Q184-G187 WeakPolarHBondContact O-CA 3.39Å; Q184-G187 PolarHBondContact O-N 3.3Å
185	E	98.4	Very high	98	Very high	131 Å²	131	43.9 Å²	43.9	61%	0.612	24%	0.244	S	C	*	.	H	α-helix	trans	-60.4	-35.6	176.1	-72	168.3	-164.8	0	0	112.5	E181 V182 G187 R286	E181-E185 WeakPolarHBondContact O-CG 3.31Å; E181-E185 PolarHBondContact O-N 3.49Å; V182-E185 PolarHBondContact O-N 2.88Å; E185-G187 PolarHBondContact O-N 3.07Å; E185-R286 IonicContact OE1-CZ 3.85Å; E185-R286 IonicContact OE1-NH1 2.77Å; E185-R286 PolarHBondContact OE1-NH1 3.21Å; E185-R286 IonicContact OE2-NH1 2.92Å; E185-R286 PolarHBondContact OE2-NH1 3.42Å
186	L	98.1	Very high	98	Very high	63 Å²	63	44.9 Å²	44.9	33%	0.33	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-2.9	174.8	-67.8	172.5	0	0	0	113.4	V182 G183 Q184 Y188 R278 L279	V182-L186 HydrophobicContact CG1-CD1 3.89Å; V182-L186 HydrophobicContact CG1-CG 4.42Å; V182-L186 WeakPolarHBondContact O-CB 3.42Å; V182-L186 VanDerWaalsContact O-CG 3.24Å; V182-L186 WeakPolarHBondContact O-CG 3.41Å; V182-L186 PolarHBondContact O-N 2.91Å; G183-L186 PolarHBondContact O-N 3.07Å; Q184-L186 VanDerWaalsContact C-N 3.27Å; Q184-L186 PolarHBondContact O-N 3.17Å; L186-Y188 HydrophobicContact CB-CD1 3.91Å; L186-Y188 HydrophobicContact CB-CD2 4.18Å; L186-Y188 HydrophobicContact CB-CE1 3.77Å; L186-Y188 HydrophobicContact CB-CE2 4.04Å; L186-Y188 HydrophobicContact CB-CG 4.11Å; L186-Y188 HydrophobicContact CD1-CD2 4.43Å; L186-Y188 HydrophobicContact CD1-CE2 3.87Å; L186-Y188 VanDerWaalsContact O-CD1 3.27Å; L186-Y188 WeakPolarHBondContact O-CD1 3.11Å; L186-Y188 WeakPolarHBondContact O-CE1 3.24Å; L186-R278 HydrophobicContact CD1-CB 4.47Å; L186-L279 HydrophobicContact CD1-CB 4.39Å; L186-L279 HydrophobicContact CD1-CD1 4.38Å
187	G	98.1	Very high	98	Very high	57 Å²	57	43.9 Å²	43.9	59%	0.588	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.8	22.7	-179.1	0	0	0	0	0	114.1	G183 Q184 E185	G183-G187 PolarHBondContact O-N 2.75Å; Q184-G187 WeakPolarHBondContact O-CA 3.39Å; Q184-G187 PolarHBondContact O-N 3.3Å; E185-G187 PolarHBondContact O-N 3.07Å
188	Y	97.9	Very high	98.1	Very high	15 Å²	15	39 Å²	39	6%	0.059	22%	0.223	C	C	.	.			trans	-89.6	2.1	-174.7	-60.9	-4.5	0	0	0	113.8	G183 L186 A190 F191 L192 Q275 L279	G183-Y188 WeakPolarHBondContact O-CA 3.28Å; G183-Y188 VanDerWaalsContact O-CB 3.28Å; G183-Y188 WeakPolarHBondContact O-CB 3.5Å; G183-Y188 PolarHBondContact O-N 2.98Å; L186-Y188 HydrophobicContact CB-CD1 3.91Å; L186-Y188 HydrophobicContact CB-CD2 4.18Å; L186-Y188 HydrophobicContact CB-CE1 3.77Å; L186-Y188 HydrophobicContact CB-CE2 4.04Å; L186-Y188 HydrophobicContact CB-CG 4.11Å; L186-Y188 HydrophobicContact CD1-CD2 4.43Å; L186-Y188 HydrophobicContact CD1-CE2 3.87Å; L186-Y188 VanDerWaalsContact O-CD1 3.27Å; L186-Y188 WeakPolarHBondContact O-CD1 3.11Å; L186-Y188 WeakPolarHBondContact O-CE1 3.24Å; Y188-A190 PolarHBondContact O-N 2.94Å; Y188-F191 AromaticContact CD1-CE1 3.99Å; Y188-F191 HydrophobicContact CD1-CE1 3.99Å; Y188-F191 HydrophobicContact CD1-CE2 4Å; Y188-F191 AromaticContact CD1-CZ 3.26Å; Y188-F191 HydrophobicContact CD1-CZ 3.26Å; Y188-F191 AromaticContact CD2-CE2 3.91Å; Y188-F191 HydrophobicContact CD2-CE2 3.91Å; Y188-F191 HydrophobicContact CD2-CZ 4.03Å; Y188-F191 AromaticContact CE1-CZ 3.91Å; Y188-F191 HydrophobicContact CE1-CZ 3.91Å; Y188-F191 HydrophobicContact CG-CE1 4.21Å; Y188-F191 AromaticContact CG-CE2 3.6Å; Y188-F191 HydrophobicContact CG-CE2 3.6Å; Y188-F191 AromaticContact CG-CZ 3.33Å; Y188-F191 HydrophobicContact CG-CZ 3.33Å; Y188-F191 CarbonylContact O-C 3.57Å; Y188-F191 PolarHBondContact O-N 3.36Å; Y188-L192 WeakPolarHBondContact O-CB 3.46Å; Y188-L192 PolarHBondContact O-N 2.81Å; Y188-Q275 HydrophobicContact CE1-CB 4.43Å; Y188-Q275 HydrophobicContact CE1-CG 4.09Å; Y188-Q275 HydrophobicContact CE2-CB 3.86Å; Y188-Q275 HydrophobicContact CE2-CG 4.41Å; Y188-Q275 WeakPolarHBondContact CE2-O 3.37Å; Y188-Q275 WeakPolarHBondContact OH-CA 3.49Å; Y188-Q275 PolarHBondContact OH-O 2.87Å; Y188-L279 HydrophobicContact CE2-CB 4.12Å
189	G	96.4	Very high	98.1	Very high	31 Å²	31	38.1 Å²	38.1	32%	0.32	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-26.8	-172.6	0	0	0	0	0	115.6
190	A	96.2	Very high	98.1	Very high	83 Å²	83	39.8 Å²	39.8	69%	0.686	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-30.7	176.9	0	0	0	0	0	114	Y188 K193	Y188-A190 PolarHBondContact O-N 2.94Å; A190-K193 PolarHBondContact O-NZ 3.44Å
191	F	96.3	Very high	98	Very high	28 Å²	28	40 Å²	40	12%	0.123	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.6	7.2	-173.3	61.7	-94.5	0	0	0	113.3	D132 I133 Y188 Q275	D132-F191 CarbonylContact C-O 3.57Å; D132-F191 WeakPolarHBondContact CA-O 3.49Å; D132-F191 WeakPolarHBondContact OD1-CA 3.45Å; D132-F191 VanDerWaalsContact OD1-CB 3.26Å; D132-F191 WeakPolarHBondContact OD1-CB 3.31Å; I133-F191 HydrophobicContact CD1-CE2 4.3Å; I133-F191 PolarHBondContact N-O 2.78Å; Y188-F191 AromaticContact CD1-CE1 3.99Å; Y188-F191 HydrophobicContact CD1-CE1 3.99Å; Y188-F191 HydrophobicContact CD1-CE2 4Å; Y188-F191 AromaticContact CD1-CZ 3.26Å; Y188-F191 HydrophobicContact CD1-CZ 3.26Å; Y188-F191 AromaticContact CD2-CE2 3.91Å; Y188-F191 HydrophobicContact CD2-CE2 3.91Å; Y188-F191 HydrophobicContact CD2-CZ 4.03Å; Y188-F191 AromaticContact CE1-CZ 3.91Å; Y188-F191 HydrophobicContact CE1-CZ 3.91Å; Y188-F191 HydrophobicContact CG-CE1 4.21Å; Y188-F191 AromaticContact CG-CE2 3.6Å; Y188-F191 HydrophobicContact CG-CE2 3.6Å; Y188-F191 AromaticContact CG-CZ 3.33Å; Y188-F191 HydrophobicContact CG-CZ 3.33Å; Y188-F191 CarbonylContact O-C 3.57Å; Y188-F191 PolarHBondContact O-N 3.36Å; F191-Q275 HydrophobicContact CE2-CB 4.48Å; F191-Q275 HydrophobicContact CZ-CG 4.31Å
192	L	97.7	Very high	97.8	Very high	10 Å²	10	37.8 Å²	37.8	5%	0.052	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	121.1	170	-168.3	67.7	0	0	0	109.1	I133 I135 M180 Y188 L279	I133-L192 HydrophobicContact CB-CD1 4.19Å; I133-L192 HydrophobicContact CG2-CD1 4.03Å; I133-L192 CarbonylContact O-C 3.51Å; I133-L192 WeakPolarHBondContact O-CA 3.2Å; I135-L192 HydrophobicContact CD1-CD1 4.17Å; I135-L192 HydrophobicContact CD1-CD2 4.34Å; I135-L192 HydrophobicContact CD1-CG 4.27Å; I135-L192 HydrophobicContact CG1-CD1 4.18Å; M180-L192 HydrophobicContact SD-CD2 3.66Å; M180-L192 HydrophobicContact SD-CG 4.24Å; Y188-L192 WeakPolarHBondContact O-CB 3.46Å; Y188-L192 PolarHBondContact O-N 2.81Å; L192-L279 HydrophobicContact CD1-CD2 4.14Å
193	K	98.4	Very high	97.7	Very high	53 Å²	53	42.1 Å²	42.1	23%	0.23	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	169.8	-176.1	-51.7	-58.7	-174.3	-168.6	0	110.2	F128 D132 I133 M134 I135 A190	F128-K193 HydrophobicContact CD1-CB 4.25Å; F128-K193 HydrophobicContact CD1-CD 4.17Å; F128-K193 HydrophobicContact CD1-CG 3.82Å; F128-K193 HydrophobicContact CE1-CB 3.59Å; F128-K193 HydrophobicContact CE1-CD 4.11Å; F128-K193 HydrophobicContact CE1-CG 3.68Å; F128-K193 HydrophobicContact CE2-CB 4.48Å; F128-K193 HydrophobicContact CG-CG 4.46Å; F128-K193 HydrophobicContact CZ-CB 3.72Å; F128-K193 HydrophobicContact CZ-CG 4.2Å; D132-K193 HydrophobicContact CB-CG 4.03Å; D132-K193 WeakPolarHBondContact OD2-CE 3.02Å; I133-K193 PolarHBondContact O-N 2.83Å; M134-K193 CarbonylContact C-O 3.6Å; M134-K193 WeakPolarHBondContact CA-O 3.19Å; M134-K193 HydrophobicContact CB-CB 4.31Å; M134-K193 HydrophobicContact CG-CB 4.35Å; I135-K193 PolarHBondContact N-O 3.4Å; A190-K193 PolarHBondContact O-NZ 3.44Å
194	E	98.5	Very high	97.6	Very high	88 Å²	88	46.7 Å²	46.7	41%	0.411	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	138.5	170.2	-173.2	-168.4	79	0	0	108.4	I135 K137 M180	I135-E194 WeakPolarHBondContact O-CA 3.36Å; K137-E194 HydrophobicContact CB-CG 3.78Å; K137-E194 HydrophobicContact CD-CG 3.99Å; K137-E194 WeakPolarHBondContact CD-OE1 3.37Å; K137-E194 HydrophobicContact CG-CG 4.2Å; M180-E194 HydrophobicContact CE-CB 4.49Å
195	G	98.7	Very high	97.5	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.2	174.3	-177.3	0	0	0	0	0	116	M134 I135 K137 D220	M134-G195 VanDerWaalsContact SD-CA 3.54Å; I135-G195 PolarHBondContact O-N 3.29Å; K137-G195 WeakPolarHBondContact CG-O 3.25Å; K137-G195 PolarHBondContact N-O 3.04Å; G195-D220 WeakPolarHBondContact CA-OD2 3.47Å
196	V	98.9	Very high	97.4	Very high	23 Å²	23	40.7 Å²	40.7	14%	0.139	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	127.6	178.6	-177.1	0	0	0	0	110	K137 D138 I140 D220 A221	K137-V196 HydrophobicContact CG-CG2 4.45Å; D138-V196 HydrophobicContact CB-CG2 4.33Å; D138-V196 WeakPolarHBondContact O-CA 3.4Å; I140-V196 HydrophobicContact CG1-CG1 4.22Å; V196-D220 PolarHBondContact N-OD2 3.27Å; V196-D220 PolarHBondContact O-N 3.16Å; V196-A221 PolarHBondContact O-N 2.95Å; V196-A221 VanDerWaalsContact O-N 3.16Å
197	Y	98.9	Very high	97.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	132	178.5	175.4	-89.3	0	0	0	111.9	A121 I136 D138 H139 I140 V199 A221 G223 M224 S225 V227	A121-Y197 HydrophobicContact CB-CD2 4.37Å; A121-Y197 HydrophobicContact CB-CE2 4.03Å; I136-Y197 HydrophobicContact CD1-CD2 4.38Å; I136-Y197 HydrophobicContact CD1-CG 4.16Å; D138-Y197 PolarHBondContact O-N 3.04Å; H139-Y197 CarbonylContact C-O 3.57Å; H139-Y197 WeakPolarHBondContact CA-O 3.44Å; H139-Y197 WeakPolarHBondContact CB-O 3.49Å; I140-Y197 PolarHBondContact N-O 2.87Å; Y197-V199 HydrophobicContact CE1-CB 4Å; Y197-A221 CarbonylContact C-O 3.56Å; Y197-A221 VanDerWaalsContact CA-O 3.3Å; Y197-A221 WeakPolarHBondContact CA-O 3.14Å; Y197-A221 HydrophobicContact CD2-CB 4.41Å; Y197-G223 WeakPolarHBondContact OH-CA 3.44Å; Y197-M224 PolarHBondContact OH-N 3.23Å; Y197-S225 VanDerWaalsContact CE1-O 3.31Å; Y197-S225 WeakPolarHBondContact CE1-O 3.43Å; Y197-S225 PolarHBondContact OH-N 3.43Å; Y197-S225 PolarHBondContact OH-O 3.25Å; Y197-V227 HydrophobicContact CD1-CG2 3.68Å; Y197-V227 HydrophobicContact CE1-CG2 3.79Å
198	C	98.9	Very high	97.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	131.7	171.2	-173.2	0	0	0	0	110.9	I140 L214 V219 A221 V222 G223	I140-C198 HydrophobicContact CB-CB 4.33Å; I140-C198 WeakPolarHBondContact O-CA 3.49Å; C198-L214 HydrophobicContact CB-CD2 4.42Å; C198-V219 HydrophobicContact CB-CB 4.29Å; C198-V219 HydrophobicContact CB-CG1 3.44Å; C198-V219 VanDerWaalsContact CB-CG1 3.44Å; C198-V219 HydrophobicContact CB-CG2 3.81Å; C198-A221 PolarHBondContact N-O 3.49Å; C198-V222 HydrophobicContact CB-CG2 4.39Å; C198-V222 WeakPolarHBondContact O-CA 3.25Å; C198-G223 PolarHBondContact O-N 3.16Å
199	V	98.7	Very high	97.3	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	131.2	169.1	65	0	0	0	0	110.9	I140 N141 P143 Y197 G223 S225 V227	I140-V199 PolarHBondContact O-N 3.41Å; I140-V199 VanDerWaalsContact O-N 3.07Å; N141-V199 HydrophobicContact CB-CG1 4.45Å; P143-V199 VanDerWaalsContact CD-O 3.29Å; P143-V199 WeakPolarHBondContact CD-O 3.32Å; Y197-V199 HydrophobicContact CE1-CB 4Å; V199-G223 CarbonylContact C-O 3.56Å; V199-G223 WeakPolarHBondContact CA-O 3.41Å; V199-S225 WeakPolarHBondContact CG2-O 3.49Å; V199-V227 HydrophobicContact CB-CB 3.84Å; V199-V227 HydrophobicContact CB-CG2 3.75Å; V199-V227 HydrophobicContact CG1-CB 3.49Å; V199-V227 VanDerWaalsContact CG1-CB 3.49Å; V199-V227 HydrophobicContact CG1-CG1 3.71Å; V199-V227 HydrophobicContact CG1-CG2 3.72Å; V199-V227 HydrophobicContact CG2-CB 4.5Å
200	L	98.3	Very high	97.4	Very high	35 Å²	35	45 Å²	45	18%	0.183	27%	0.272	C	S	.	.			trans	-110.7	162	165.4	-59.6	-176.4	0	0	0	110.4	L142 E206 L214 V222 G223 M224	L142-L200 HydrophobicContact CB-CD2 4.43Å; L142-L200 HydrophobicContact CD1-CD2 3.47Å; L142-L200 VanDerWaalsContact CD1-CD2 3.47Å; L142-L200 HydrophobicContact CG-CD2 4.49Å; L200-E206 HydrophobicContact CD1-CG 3.57Å; L200-E206 WeakPolarHBondContact CD1-OE1 3.31Å; L200-L214 HydrophobicContact CD1-CD1 4.36Å; L200-V222 HydrophobicContact CD1-CG2 3.67Å; L200-V222 HydrophobicContact CG-CG2 3.73Å; L200-G223 PolarHBondContact N-O 3.47Å; L200-M224 VanDerWaalsContact O-CA 3.31Å; L200-M224 WeakPolarHBondContact O-CA 3.26Å
201	S	96.6	Very high	97.5	Very high	49 Å²	49	41.2 Å²	41.2	34%	0.343	24%	0.239	S	C	.	.			trans	-74.7	-32.3	175.2	-60.3	0	0	0	0	113	Y92	Y92-S201 WeakPolarHBondContact CB-O 3.39Å; Y92-S201 WeakPolarHBondContact CD1-O 3.46Å
202	G	95.4	Very high	97.6	Very high	27 Å²	27	45.2 Å²	45.2	28%	0.278	25%	0.254	S	S	.	.			trans	70.2	-167.6	-171.6	0	0	0	0	0	113.6
203	P	95.1	Very high	97.6	Very high	92 Å²	92	49.9 Å²	49.9	60%	0.597	28%	0.277	S	S	*	.	S	Bend	cis	-91.5	-10.3	5	34.1	-34	0	0	0	114.8	Y92	Y92-P203 HydrophobicContact CD2-CB 4.27Å; Y92-P203 HydrophobicContact CG-CB 4Å
204	S	96.2	Very high	97.6	Very high	95 Å²	95	47.6 Å²	47.6	66%	0.664	27%	0.267	S	S	*	.	S	Bend	trans	-64.6	138	175.3	52.1	0	0	0	0	110	M224	S204-M224 WeakPolarHBondContact O-CE 3.29Å
205	F	95.3	Very high	97.6	Very high	73 Å²	73	47.1 Å²	47.1	32%	0.32	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-63.4	163.9	164.6	-68.8	-71.5	0	0	0	110.8	M224 A260	F205-M224 HydrophobicContact CD1-CE 4.24Å; F205-A260 HydrophobicContact CB-CB 4.11Å; F205-A260 HydrophobicContact CD1-CB 3.9Å; F205-A260 HydrophobicContact CD2-CB 3.79Å; F205-A260 HydrophobicContact CE1-CB 4.23Å; F205-A260 HydrophobicContact CE2-CB 4.14Å; F205-A260 HydrophobicContact CG-CB 3.66Å; F205-A260 HydrophobicContact CZ-CB 4.34Å
206	E	97.3	Very high	97.6	Very high	33 Å²	33	54.4 Å²	54.4	15%	0.154	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-70.2	143.8	-176.2	-54.5	76.5	-163.6	0	0	111.4	L200 E210 C211 V222	L200-E206 HydrophobicContact CD1-CG 3.57Å; L200-E206 WeakPolarHBondContact CD1-OE1 3.31Å; E206-E210 HydrophobicContact CB-CB 4.18Å; E206-C211 WeakPolarHBondContact CB-SG 3.24Å; E206-V222 HydrophobicContact CG-CG1 4.33Å; E206-V222 HydrophobicContact CG-CG2 4.4Å; E206-V222 WeakPolarHBondContact OE1-CG1 3.48Å; E206-V222 WeakPolarHBondContact OE1-CG2 3.22Å
207	T	97.1	Very high	97.5	Very high	77 Å²	77	57.7 Å²	57.7	47%	0.472	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-74	160.2	163.5	64.6	0	0	0	0	110.6	A209 E210 C211	T207-A209 PolarHBondContact O-N 2.98Å; T207-E210 WeakPolarHBondContact CB-OE2 3.42Å; T207-E210 WeakPolarHBondContact CG2-OE2 3.49Å; T207-E210 PolarHBondContact N-OE2 3.39Å; T207-E210 PolarHBondContact O-N 3.5Å; T207-E210 VanDerWaalsContact O-N 3.07Å; T207-E210 VanDerWaalsContact OG1-CD 3.27Å; T207-E210 VanDerWaalsContact OG1-CG 3.31Å; T207-E210 WeakPolarHBondContact OG1-CG 3.26Å; T207-E210 PolarHBondContact OG1-N 3.31Å; T207-E210 PolarHBondContact OG1-OE2 3.35Å; T207-C211 PolarHBondContact O-N 2.96Å; T207-C211 PolarHBondContact O-SG 3.45Å
208	I	96.9	Very high	97.5	Very high	34 Å²	34	59.8 Å²	59.8	17%	0.174	34%	0.34	C	S	.	.	H	α-helix	trans	-54.3	-37.9	175.4	-70.3	162.3	0	0	0	112.2	R212 V251 D253 Y254	I208-R212 HydrophobicContact CG2-CG 4.48Å; I208-R212 WeakPolarHBondContact O-CB 3.3Å; I208-R212 VanDerWaalsContact O-CG 3.28Å; I208-R212 WeakPolarHBondContact O-CG 3.45Å; I208-R212 PolarHBondContact O-N 3.19Å; I208-V251 HydrophobicContact CD1-CG1 4.32Å; I208-V251 HydrophobicContact CG1-CG1 4.18Å; I208-V251 WeakPolarHBondContact CG1-O 3.38Å; I208-D253 WeakPolarHBondContact CD1-O 3.34Å; I208-Y254 HydrophobicContact CB-CD1 4.21Å; I208-Y254 HydrophobicContact CB-CE1 3.76Å; I208-Y254 HydrophobicContact CD1-CD1 3.44Å; I208-Y254 VanDerWaalsContact CD1-CD1 3.44Å; I208-Y254 HydrophobicContact CD1-CE1 3.86Å; I208-Y254 HydrophobicContact CD1-CG 4.02Å; I208-Y254 HydrophobicContact CG1-CD1 4.43Å; I208-Y254 HydrophobicContact CG1-CE1 4.43Å; I208-Y254 HydrophobicContact CG2-CD1 4.08Å; I208-Y254 HydrophobicContact CG2-CD2 4.12Å; I208-Y254 HydrophobicContact CG2-CE1 3.72Å; I208-Y254 HydrophobicContact CG2-CE2 3.76Å; I208-Y254 HydrophobicContact CG2-CG 4.26Å
209	A	98.2	Very high	97.5	Very high	53 Å²	53	59.8 Å²	59.8	44%	0.438	34%	0.34	S	S	.	.	H	α-helix	trans	-67.9	-41.4	179.2	0	0	0	0	0	111.8	T207 R212 M213	T207-A209 PolarHBondContact O-N 2.98Å; A209-R212 PolarHBondContact O-N 3.24Å; A209-M213 WeakPolarHBondContact O-CB 3.02Å; A209-M213 PolarHBondContact O-N 3.38Å
210	E	98.4	Very high	97.5	Very high	93 Å²	93	60.9 Å²	60.9	44%	0.435	35%	0.346	S	S	.	.	H	α-helix	trans	-64.9	-45	174.8	-71.2	161.3	153.6	0	0	111	E206 T207 R212 M213 L214	E206-E210 HydrophobicContact CB-CB 4.18Å; T207-E210 WeakPolarHBondContact CB-OE2 3.42Å; T207-E210 WeakPolarHBondContact CG2-OE2 3.49Å; T207-E210 PolarHBondContact N-OE2 3.39Å; T207-E210 PolarHBondContact O-N 3.5Å; T207-E210 VanDerWaalsContact O-N 3.07Å; T207-E210 VanDerWaalsContact OG1-CD 3.27Å; T207-E210 VanDerWaalsContact OG1-CG 3.31Å; T207-E210 WeakPolarHBondContact OG1-CG 3.26Å; T207-E210 PolarHBondContact OG1-N 3.31Å; T207-E210 PolarHBondContact OG1-OE2 3.35Å; E210-R212 PolarHBondContact O-N 3.19Å; E210-M213 PolarHBondContact O-N 3.36Å; E210-L214 WeakPolarHBondContact O-CG 3.21Å; E210-L214 PolarHBondContact O-N 3.34Å
211	C	97.9	Very high	97.5	Very high	2 Å²	2	59.2 Å²	59.2	1%	0.014	34%	0.337	C	S	.	.	H	α-helix	trans	-55.9	-50	174.5	-64	0	0	0	0	111.7	L124 E206 T207 M213 L214 H215 A250 M252	L124-C211 HydrophobicContact CD2-CB 3.77Å; L124-C211 WeakPolarHBondContact CD2-O 3.27Å; E206-C211 WeakPolarHBondContact CB-SG 3.24Å; T207-C211 PolarHBondContact O-N 2.96Å; T207-C211 PolarHBondContact O-SG 3.45Å; C211-M213 VanDerWaalsContact C-N 3.33Å; C211-M213 PolarHBondContact O-N 3.42Å; C211-L214 PolarHBondContact O-N 2.96Å; C211-H215 WeakPolarHBondContact O-CB 3.37Å; C211-H215 PolarHBondContact O-N 3.07Å; C211-A250 HydrophobicContact CB-CB 4.33Å; C211-M252 HydrophobicContact CB-CG 3.55Å; C211-M252 HydrophobicContact CB-SD 4.13Å
212	R	97.9	Very high	97.6	Very high	113 Å²	113	56.9 Å²	56.9	43%	0.426	32%	0.321	S	S	.	.	H	α-helix	trans	-61	-41.2	178.3	-74.3	175.5	178.8	-165.3	-0.6	112.2	I208 A209 E210 L216 M252	I208-R212 HydrophobicContact CG2-CG 4.48Å; I208-R212 WeakPolarHBondContact O-CB 3.3Å; I208-R212 VanDerWaalsContact O-CG 3.28Å; I208-R212 WeakPolarHBondContact O-CG 3.45Å; I208-R212 PolarHBondContact O-N 3.19Å; A209-R212 PolarHBondContact O-N 3.24Å; E210-R212 PolarHBondContact O-N 3.19Å; R212-L216 WeakPolarHBondContact O-CB 3.23Å; R212-L216 PolarHBondContact O-N 3.34Å; R212-M252 HydrophobicContact CG-CB 4.33Å; R212-M252 HydrophobicContact CG-CG 4.4Å; R212-M252 HydrophobicContact CG-SD 4.35Å; R212-M252 VanDerWaalsContact CZ-O 3.25Å; R212-M252 PolarHBondContact NE-O 3.47Å; R212-M252 PolarHBondContact NH2-O 2.82Å
213	M	98.5	Very high	97.7	Very high	108 Å²	108	56 Å²	56	53%	0.532	31%	0.312	S	S	.	.	H	α-helix	trans	-61.7	-50.2	175.9	173.8	-178.1	166.3	0	0	111.1	A209 E210 C211 H215 L216 L217	A209-M213 WeakPolarHBondContact O-CB 3.02Å; A209-M213 PolarHBondContact O-N 3.38Å; E210-M213 PolarHBondContact O-N 3.36Å; C211-M213 VanDerWaalsContact C-N 3.33Å; C211-M213 PolarHBondContact O-N 3.42Å; M213-H215 VanDerWaalsContact C-N 3.33Å; M213-H215 PolarHBondContact O-N 3.3Å; M213-L216 WeakPolarHBondContact O-CB 3.45Å; M213-L216 PolarHBondContact O-N 3.33Å; M213-L217 HydrophobicContact CE-CD1 3.92Å; M213-L217 HydrophobicContact CG-CD1 4.2Å; M213-L217 WeakPolarHBondContact O-CG 3.27Å; M213-L217 PolarHBondContact O-N 2.9Å
214	L	98.5	Very high	97.9	Very high	5 Å²	5	52.9 Å²	52.9	3%	0.026	29%	0.29	C	S	.	.	H	α-helix	trans	-61.8	-42.4	179.8	-68.4	177.5	0	0	0	111.5	L124 L142 C198 L200 E210 C211 L216 L217 G218 V219 V222	L124-L214 HydrophobicContact CD1-CB 3.59Å; L124-L214 HydrophobicContact CD1-CD1 4.11Å; L142-L214 HydrophobicContact CD1-CD2 3.74Å; C198-L214 HydrophobicContact CB-CD2 4.42Å; L200-L214 HydrophobicContact CD1-CD1 4.36Å; E210-L214 WeakPolarHBondContact O-CG 3.21Å; E210-L214 PolarHBondContact O-N 3.34Å; C211-L214 PolarHBondContact O-N 2.96Å; L214-L216 PolarHBondContact O-N 3.31Å; L214-L217 WeakPolarHBondContact O-CB 3.21Å; L214-L217 PolarHBondContact O-N 3.35Å; L214-L217 VanDerWaalsContact O-N 3.15Å; L214-G218 PolarHBondContact O-N 2.81Å; L214-V219 HydrophobicContact CB-CB 4.21Å; L214-V219 HydrophobicContact CB-CG2 4.27Å; L214-V219 HydrophobicContact CD2-CG2 4.42Å; L214-V219 VanDerWaalsContact O-CB 3.25Å; L214-V219 WeakPolarHBondContact O-CB 3.33Å; L214-V219 VanDerWaalsContact O-CG2 3.3Å; L214-V219 WeakPolarHBondContact O-CG2 3.24Å; L214-V219 PolarHBondContact O-N 2.93Å; L214-V219 VanDerWaalsContact O-N 3.1Å; L214-V222 HydrophobicContact CD1-CB 4.22Å; L214-V222 HydrophobicContact CD1-CG2 3.77Å
215	H	97.9	Very high	97.9	Very high	78 Å²	78	49 Å²	49	36%	0.361	26%	0.262	S	S	.	.	H	α-helix	trans	-60.9	-43.8	175.4	-175	60.3	0	0	0	112	L124 C211 M213 L217 G218 M252	L124-H215 PolarHBondContact O-ND1 2.95Å; C211-H215 WeakPolarHBondContact O-CB 3.37Å; C211-H215 PolarHBondContact O-N 3.07Å; M213-H215 VanDerWaalsContact C-N 3.33Å; M213-H215 PolarHBondContact O-N 3.3Å; H215-L217 PolarHBondContact O-N 3.43Å; H215-G218 PolarHBondContact O-N 3.23Å; H215-M252 HydrophobicContact CB-SD 3.94Å
216	L	98.1	Very high	98.1	Very high	153 Å²	153	45.5 Å²	45.5	80%	0.801	25%	0.247	S	C	*	.	H	α-helix	trans	-61.6	-31.3	175.6	-176.2	66.2	0	0	0	112.6	R212 M213 L214 G218	R212-L216 WeakPolarHBondContact O-CB 3.23Å; R212-L216 PolarHBondContact O-N 3.34Å; M213-L216 WeakPolarHBondContact O-CB 3.45Å; M213-L216 PolarHBondContact O-N 3.33Å; L214-L216 PolarHBondContact O-N 3.31Å; L216-G218 PolarHBondContact O-N 3.33Å
217	L	98.3	Very high	98.2	Very high	92 Å²	92	44 Å²	44	48%	0.482	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	2.7	174.8	-66.3	173.6	0	0	0	113.5	I140 M213 L214 H215	I140-L217 HydrophobicContact CD1-CB 4.31Å; M213-L217 HydrophobicContact CE-CD1 3.92Å; M213-L217 HydrophobicContact CG-CD1 4.2Å; M213-L217 WeakPolarHBondContact O-CG 3.27Å; M213-L217 PolarHBondContact O-N 2.9Å; L214-L217 WeakPolarHBondContact O-CB 3.21Å; L214-L217 PolarHBondContact O-N 3.35Å; L214-L217 VanDerWaalsContact O-N 3.15Å; H215-L217 PolarHBondContact O-N 3.43Å
218	G	98.2	Very high	98.2	Very high	43 Å²	43	40.5 Å²	40.5	44%	0.443	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.6	23.4	178.8	0	0	0	0	0	114	L214 H215 L216	L214-G218 PolarHBondContact O-N 2.81Å; H215-G218 PolarHBondContact O-N 3.23Å; L216-G218 PolarHBondContact O-N 3.33Å
219	V	98.8	Very high	98.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.211	C	C	.	.			trans	-82.5	130.6	174.9	-177.5	0	0	0	0	110.1	L124 I140 C198 L214 A221	L124-V219 WeakPolarHBondContact CB-O 3.38Å; L124-V219 HydrophobicContact CD1-CB 3.94Å; L124-V219 HydrophobicContact CD1-CG1 3.57Å; I140-V219 HydrophobicContact CD1-CG2 3.6Å; I140-V219 HydrophobicContact CG1-CG2 4.29Å; C198-V219 HydrophobicContact CB-CB 4.29Å; C198-V219 HydrophobicContact CB-CG1 3.44Å; C198-V219 VanDerWaalsContact CB-CG1 3.44Å; C198-V219 HydrophobicContact CB-CG2 3.81Å; L214-V219 HydrophobicContact CB-CB 4.21Å; L214-V219 HydrophobicContact CB-CG2 4.27Å; L214-V219 HydrophobicContact CD2-CG2 4.42Å; L214-V219 VanDerWaalsContact O-CB 3.25Å; L214-V219 WeakPolarHBondContact O-CB 3.33Å; L214-V219 VanDerWaalsContact O-CG2 3.3Å; L214-V219 WeakPolarHBondContact O-CG2 3.24Å; L214-V219 PolarHBondContact O-N 2.93Å; L214-V219 VanDerWaalsContact O-N 3.1Å; V219-A221 WeakPolarHBondContact CG1-O 3.37Å
220	D	98.8	Very high	98.4	Very high	23 Å²	23	36.7 Å²	36.7	12%	0.123	19%	0.19	C	C	.	.	S	Bend	trans	-94.2	-35.2	178.4	-64.6	-65.9	0	0	0	112.6	L124 N125 F128 M134 G195 V196	L124-D220 PolarHBondContact N-O 3.1Å; N125-D220 HydrophobicContact CB-CB 4.09Å; N125-D220 PolarHBondContact N-O 3Å; N125-D220 PolarHBondContact ND2-OD1 2.84Å; F128-D220 HydrophobicContact CE2-CB 3.9Å; F128-D220 HydrophobicContact CZ-CB 3.96Å; M134-D220 HydrophobicContact SD-CB 3.9Å; G195-D220 WeakPolarHBondContact CA-OD2 3.47Å; V196-D220 PolarHBondContact N-OD2 3.27Å; V196-D220 PolarHBondContact O-N 3.16Å
221	A	98.8	Very high	98.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	147.4	176.7	0	0	0	0	0	112	A121 G122 M134 V196 Y197 C198 V219 I246	A121-A221 HydrophobicContact CB-CB 3.92Å; G122-A221 CarbonylContact O-C 3.54Å; G122-A221 VanDerWaalsContact O-CA 3.27Å; G122-A221 WeakPolarHBondContact O-CA 3.23Å; M134-A221 HydrophobicContact CE-CB 3.65Å; M134-A221 HydrophobicContact SD-CB 3.9Å; V196-A221 PolarHBondContact O-N 2.95Å; V196-A221 VanDerWaalsContact O-N 3.16Å; Y197-A221 CarbonylContact C-O 3.56Å; Y197-A221 VanDerWaalsContact CA-O 3.3Å; Y197-A221 WeakPolarHBondContact CA-O 3.14Å; Y197-A221 HydrophobicContact CD2-CB 4.41Å; C198-A221 PolarHBondContact N-O 3.49Å; V219-A221 WeakPolarHBondContact CG1-O 3.37Å; A221-I246 HydrophobicContact CB-CD1 3.84Å
222	V	98.6	Very high	98.4	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.006	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	142	178.8	62.9	0	0	0	0	110.9	A121 G122 L124 C198 L200 E206 L214	A121-V222 CarbonylContact C-O 3.53Å; A121-V222 VanDerWaalsContact CA-O 3.31Å; A121-V222 WeakPolarHBondContact CA-O 3.5Å; A121-V222 WeakPolarHBondContact CB-O 3.19Å; G122-V222 PolarHBondContact N-O 3.4Å; G122-V222 PolarHBondContact O-N 2.89Å; L124-V222 HydrophobicContact CD1-CB 3.81Å; L124-V222 HydrophobicContact CD1-CG1 3.92Å; L124-V222 HydrophobicContact CG-CG1 4.12Å; C198-V222 HydrophobicContact CB-CG2 4.39Å; C198-V222 WeakPolarHBondContact O-CA 3.25Å; L200-V222 HydrophobicContact CD1-CG2 3.67Å; L200-V222 HydrophobicContact CG-CG2 3.73Å; E206-V222 HydrophobicContact CG-CG1 4.33Å; E206-V222 HydrophobicContact CG-CG2 4.4Å; E206-V222 WeakPolarHBondContact OE1-CG1 3.48Å; E206-V222 WeakPolarHBondContact OE1-CG2 3.22Å; L214-V222 HydrophobicContact CD1-CB 4.22Å; L214-V222 HydrophobicContact CD1-CG2 3.77Å
223	G	98	Very high	98.5	Very high	7 Å²	7	27 Å²	27	7%	0.072	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	-171.2	174.7	0	0	0	0	0	112.3	Y197 C198 V199 L200	Y197-G223 WeakPolarHBondContact OH-CA 3.44Å; C198-G223 PolarHBondContact O-N 3.16Å; V199-G223 CarbonylContact C-O 3.56Å; V199-G223 WeakPolarHBondContact CA-O 3.41Å; L200-G223 PolarHBondContact N-O 3.47Å
224	M	97.8	Very high	98.5	Very high	28 Å²	28	24 Å²	24	14%	0.138	13%	0.133	C	C	.	.	S	Bend	trans	-120.6	21.3	-166.8	-57.3	176.3	-172.9	0	0	114.2	Y92 Y197 L200 S204 F205	Y92-M224 HydrophobicContact CD1-CB 4.01Å; Y92-M224 HydrophobicContact CD1-SD 3.95Å; Y92-M224 HydrophobicContact CE1-CB 3.75Å; Y92-M224 HydrophobicContact CE1-CG 4.46Å; Y92-M224 HydrophobicContact CE1-SD 3.89Å; Y197-M224 PolarHBondContact OH-N 3.23Å; L200-M224 VanDerWaalsContact O-CA 3.31Å; L200-M224 WeakPolarHBondContact O-CA 3.26Å; S204-M224 WeakPolarHBondContact O-CE 3.29Å; F205-M224 HydrophobicContact CD1-CE 4.24Å
225	S	97.8	Very high	98.5	Very high	12 Å²	12	24.1 Å²	24.1	8%	0.084	13%	0.133	C	C	.	.	S	Bend	trans	-156.7	-159.8	-177.2	56.4	0	0	0	0	112.5	R88 Y197 V199 V227	R88-S225 VanDerWaalsContact CD-CB 3.45Å; R88-S225 PolarHBondContact NH1-OG 2.84Å; Y197-S225 VanDerWaalsContact CE1-O 3.31Å; Y197-S225 WeakPolarHBondContact CE1-O 3.43Å; Y197-S225 PolarHBondContact OH-N 3.43Å; Y197-S225 PolarHBondContact OH-O 3.25Å; V199-S225 WeakPolarHBondContact CG2-O 3.49Å; S225-V227 VanDerWaalsContact C-N 3.29Å; S225-V227 PolarHBondContact O-N 3.33Å
226	T	98.7	Very high	98.5	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.006	12%	0.117	C	C	.	.	S	Bend	trans	76.2	-62.3	173.9	-52.8	0	0	0	0	114.1	R88 I117 N119 I136 H228 E229 V230 A242	R88-T226 PolarHBondContact NH1-OG1 2.85Å; I117-T226 HydrophobicContact CB-CG2 4.42Å; I117-T226 HydrophobicContact CG2-CG2 3.74Å; N119-T226 WeakPolarHBondContact CB-OG1 3.34Å; N119-T226 PolarHBondContact ND2-OG1 3.41Å; I136-T226 HydrophobicContact CD1-CG2 4.14Å; T226-H228 VanDerWaalsContact C-N 3.29Å; T226-H228 PolarHBondContact O-N 3.17Å; T226-H228 VanDerWaalsContact O-N 3.17Å; T226-E229 VanDerWaalsContact CA-OE2 3.23Å; T226-E229 WeakPolarHBondContact CA-OE2 3.28Å; T226-E229 PolarHBondContact N-OE2 3.5Å; T226-E229 WeakPolarHBondContact O-CA 3.42Å; T226-E229 WeakPolarHBondContact O-CB 3.29Å; T226-E229 PolarHBondContact O-N 2.95Å; T226-V230 HydrophobicContact CG2-CG2 3.93Å; T226-V230 WeakPolarHBondContact O-CG2 3.29Å; T226-V230 PolarHBondContact O-N 3.45Å; T226-A242 HydrophobicContact CG2-CB 4.13Å
227	V	98.8	Very high	98.4	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-59.2	-38.3	-166.7	167.6	0	0	0	0	113	H139 N141 Y197 V199 S225 E229 V230 I231	H139-V227 HydrophobicContact CB-CG2 3.61Å; N141-V227 HydrophobicContact CB-CG1 3.71Å; Y197-V227 HydrophobicContact CD1-CG2 3.68Å; Y197-V227 HydrophobicContact CE1-CG2 3.79Å; V199-V227 HydrophobicContact CB-CB 3.84Å; V199-V227 HydrophobicContact CB-CG2 3.75Å; V199-V227 HydrophobicContact CG1-CB 3.49Å; V199-V227 VanDerWaalsContact CG1-CB 3.49Å; V199-V227 HydrophobicContact CG1-CG1 3.71Å; V199-V227 HydrophobicContact CG1-CG2 3.72Å; V199-V227 HydrophobicContact CG2-CB 4.5Å; S225-V227 VanDerWaalsContact C-N 3.29Å; S225-V227 PolarHBondContact O-N 3.33Å; V227-E229 VanDerWaalsContact C-N 3.35Å; V227-E229 PolarHBondContact O-N 3.33Å; V227-V230 WeakPolarHBondContact O-CB 3.49Å; V227-V230 PolarHBondContact O-N 3.17Å; V227-I231 HydrophobicContact CG1-CD1 3.9Å; V227-I231 WeakPolarHBondContact O-CD1 3.41Å; V227-I231 VanDerWaalsContact O-CG1 3.29Å; V227-I231 WeakPolarHBondContact O-CG1 3.44Å; V227-I231 PolarHBondContact O-N 2.9Å
228	H	98.3	Very high	98.4	Very high	4 Å²	4	9.5 Å²	9.5	2%	0.019	6%	0.062	C	C	.	.	H	α-helix	trans	-67.8	-36.9	178.7	-41.4	-45.1	0	0	0	111.8	L91 I97 T101 P150 T226 I231 V232	L91-H228 WeakPolarHBondContact CD1-NE2 3.31Å; I97-H228 HydrophobicContact CD1-CB 4.21Å; I97-H228 HydrophobicContact CG1-CB 4.14Å; T101-H228 VanDerWaalsContact CG2-C 3.42Å; T101-H228 HydrophobicContact CG2-CB 3.46Å; T101-H228 VanDerWaalsContact CG2-CB 3.46Å; T101-H228 WeakPolarHBondContact CG2-O 3.35Å; P150-H228 HydrophobicContact CG-CB 4.31Å; T226-H228 VanDerWaalsContact C-N 3.29Å; T226-H228 PolarHBondContact O-N 3.17Å; T226-H228 VanDerWaalsContact O-N 3.17Å; H228-I231 PolarHBondContact O-N 3.47Å; H228-V232 PolarHBondContact O-N 2.94Å
229	E	98.8	Very high	98.4	Very high	7 Å²	7	8.9 Å²	8.9	3%	0.033	5%	0.046	C	C	.	.	H	α-helix	trans	-66.5	-43	174.8	-60.6	158.6	137.2	0	0	110	R88 M104 I117 T226 V227 I231 V232 A233	R88-E229 IonicContact CZ-OE2 2.75Å; R88-E229 IonicContact NE-OE1 2.94Å; R88-E229 IonicContact NE-OE2 2.89Å; R88-E229 IonicContact NH1-OE2 3.9Å; R88-E229 IonicContact NH2-OE2 3Å; M104-E229 HydrophobicContact CG-CB 3.95Å; M104-E229 HydrophobicContact CG-CG 4.48Å; M104-E229 HydrophobicContact SD-CB 4.19Å; I117-E229 HydrophobicContact CD1-CB 4.03Å; T226-E229 VanDerWaalsContact CA-OE2 3.23Å; T226-E229 WeakPolarHBondContact CA-OE2 3.28Å; T226-E229 PolarHBondContact N-OE2 3.5Å; T226-E229 WeakPolarHBondContact O-CA 3.42Å; T226-E229 WeakPolarHBondContact O-CB 3.29Å; T226-E229 PolarHBondContact O-N 2.95Å; V227-E229 VanDerWaalsContact C-N 3.35Å; V227-E229 PolarHBondContact O-N 3.33Å; E229-I231 PolarHBondContact O-N 2.98Å; E229-V232 PolarHBondContact O-N 3.12Å; E229-A233 VanDerWaalsContact O-CB 3.26Å; E229-A233 WeakPolarHBondContact O-CB 3.43Å; E229-A233 PolarHBondContact O-N 3.2Å
230	V	98.9	Very high	98.4	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-57	-49.1	174.2	177.3	0	0	0	0	110.8	I117 M167 A170 Y171 T226 V227 V232 A233 R234 V240	I117-V230 HydrophobicContact CD1-CG2 3.81Å; M167-V230 HydrophobicContact CE-CG1 4.19Å; A170-V230 HydrophobicContact CB-CG1 4.08Å; Y171-V230 HydrophobicContact CE1-CG1 4.08Å; Y171-V230 HydrophobicContact CE1-CG2 3.81Å; T226-V230 HydrophobicContact CG2-CG2 3.93Å; T226-V230 WeakPolarHBondContact O-CG2 3.29Å; T226-V230 PolarHBondContact O-N 3.45Å; V227-V230 WeakPolarHBondContact O-CB 3.49Å; V227-V230 PolarHBondContact O-N 3.17Å; V230-V232 PolarHBondContact O-N 2.84Å; V230-A233 PolarHBondContact O-N 3.02Å; V230-R234 HydrophobicContact CG1-CG 4.23Å; V230-R234 WeakPolarHBondContact O-CB 3.19Å; V230-R234 VanDerWaalsContact O-CG 3.29Å; V230-R234 WeakPolarHBondContact O-CG 3.29Å; V230-R234 PolarHBondContact O-N 3.28Å; V230-V240 HydrophobicContact CG1-CG1 4.27Å; V230-V240 HydrophobicContact CG2-CG1 4.07Å
231	I	98.9	Very high	98.4	Very high	5 Å²	5	7.9 Å²	7.9	3%	0.026	4%	0.041	C	C	.	.	H	α-helix	trans	-56.9	-48.4	179.3	-71.1	160.1	0	0	0	111.2	N141 P150 L151 M167 V227 H228 E229 R234 H235	N141-I231 WeakPolarHBondContact ND2-CD1 3.45Å; P150-I231 HydrophobicContact CG-CB 4.13Å; P150-I231 HydrophobicContact CG-CG2 3.83Å; L151-I231 HydrophobicContact CD1-CG2 3.62Å; L151-I231 HydrophobicContact CG-CG2 3.78Å; M167-I231 HydrophobicContact CE-CB 4.25Å; M167-I231 HydrophobicContact CE-CG1 3.63Å; M167-I231 HydrophobicContact SD-CG1 4.42Å; V227-I231 HydrophobicContact CG1-CD1 3.9Å; V227-I231 WeakPolarHBondContact O-CD1 3.41Å; V227-I231 VanDerWaalsContact O-CG1 3.29Å; V227-I231 WeakPolarHBondContact O-CG1 3.44Å; V227-I231 PolarHBondContact O-N 2.9Å; H228-I231 PolarHBondContact O-N 3.47Å; E229-I231 PolarHBondContact O-N 2.98Å; I231-R234 PolarHBondContact O-N 3.42Å; I231-H235 VanDerWaalsContact O-CB 3.28Å; I231-H235 WeakPolarHBondContact O-CB 3.42Å; I231-H235 PolarHBondContact O-N 3.28Å
232	V	98.7	Very high	98.4	Very high	1 Å²	1	7.9 Å²	7.9	1%	0.006	4%	0.041	C	C	.	.	H	α-helix	trans	-70	-36.6	-179.4	178.1	0	0	0	0	111.6	T101 M104 R105 P150 L151 H228 E229 V230 H235 C236	T101-V232 HydrophobicContact CG2-CG2 4.08Å; M104-V232 HydrophobicContact CB-CB 4Å; M104-V232 HydrophobicContact CB-CG1 3.66Å; M104-V232 HydrophobicContact CG-CB 4.49Å; R105-V232 HydrophobicContact CG-CG1 3.8Å; P150-V232 HydrophobicContact CB-CG2 3.55Å; P150-V232 HydrophobicContact CG-CG2 3.68Å; L151-V232 HydrophobicContact CD2-CG2 4.33Å; H228-V232 PolarHBondContact O-N 2.94Å; E229-V232 PolarHBondContact O-N 3.12Å; V230-V232 PolarHBondContact O-N 2.84Å; V232-H235 PolarHBondContact O-N 3.13Å; V232-C236 WeakPolarHBondContact O-CB 3.26Å; V232-C236 PolarHBondContact O-N 2.85Å; V232-C236 PolarHBondContact O-SG 3.47Å
233	A	98.7	Very high	98.4	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-62.2	-46.3	176	0	0	0	0	0	111.8	M104 V115 E229 V230 C236 G237 M238 V240	M104-A233 HydrophobicContact SD-CB 4.24Å; V115-A233 HydrophobicContact CG2-CB 4.38Å; E229-A233 VanDerWaalsContact O-CB 3.26Å; E229-A233 WeakPolarHBondContact O-CB 3.43Å; E229-A233 PolarHBondContact O-N 3.2Å; V230-A233 PolarHBondContact O-N 3.02Å; A233-C236 CarbonylContact O-C 3.56Å; A233-C236 PolarHBondContact O-N 2.57Å; A233-C236 VanDerWaalsContact O-N 3.16Å; A233-G237 PolarHBondContact O-N 3.44Å; A233-M238 HydrophobicContact CB-CB 4.29Å; A233-M238 HydrophobicContact CB-CE 3.7Å; A233-M238 WeakPolarHBondContact O-CB 3.31Å; A233-M238 PolarHBondContact O-N 3.02Å; A233-V240 HydrophobicContact CB-CG2 3.72Å
234	R	98.6	Very high	98.5	Very high	44 Å²	44	7.7 Å²	7.7	17%	0.166	4%	0.038	C	C	.	.	H	α-helix	trans	-66.6	-41.6	176.7	-68.1	-58.7	-62.7	157.4	-7.5	112.7	M167 D169 A170 V230 I231 C236 G237 M238 V240	M167-R234 HydrophobicContact CE-CB 4.33Å; M167-R234 HydrophobicContact CE-CG 4.28Å; M167-R234 HydrophobicContact SD-CB 3.97Å; M167-R234 HydrophobicContact SD-CG 4.47Å; D169-R234 PolarHBondContact O-NH2 3.3Å; D169-R234 IonicContact OD1-CZ 3.6Å; D169-R234 IonicContact OD1-NE 3.99Å; D169-R234 IonicContact OD1-NH2 3.88Å; D169-R234 PolarHBondContact OD1-NH2 3.01Å; D169-R234 IonicContact OD2-NH2 3.81Å; D169-R234 PolarHBondContact OD2-NH2 2.87Å; A170-R234 HydrophobicContact CB-CG 4.14Å; A170-R234 WeakPolarHBondContact O-CD 3.42Å; A170-R234 WeakPolarHBondContact O-CG 3.26Å; V230-R234 HydrophobicContact CG1-CG 4.23Å; V230-R234 WeakPolarHBondContact O-CB 3.19Å; V230-R234 VanDerWaalsContact O-CG 3.29Å; V230-R234 WeakPolarHBondContact O-CG 3.29Å; V230-R234 PolarHBondContact O-N 3.28Å; I231-R234 PolarHBondContact O-N 3.42Å; R234-C236 PolarHBondContact O-N 3.27Å; R234-G237 PolarHBondContact O-N 2.79Å; R234-M238 WeakPolarHBondContact CD-O 3.25Å; R234-M238 PolarHBondContact NH1-O 3.3Å; R234-V240 HydrophobicContact CG-CG2 4.15Å
235	H	98.6	Very high	98.5	Very high	8 Å²	8	6.3 Å²	6.3	4%	0.037	3%	0.032	C	C	.	.	H	α-helix	trans	-54.5	-40.5	170.7	176.7	-104.7	0	0	0	111.6	L151 N155 G161 V162 P165 I231 V232 G237	L151-H235 HydrophobicContact CD1-CB 4.06Å; L151-H235 HydrophobicContact CD2-CB 4.1Å; N155-H235 PolarHBondContact OD1-CE1 2.79Å; N155-H235 PolarHBondContact OD1-NE2 3.36Å; N155-H235 VanDerWaalsContact OD1-NE2 3.11Å; G161-H235 VanDerWaalsContact C-NE2 3.29Å; G161-H235 VanDerWaalsContact CA-O 3.29Å; G161-H235 WeakPolarHBondContact CA-O 3.27Å; G161-H235 PolarHBondContact O-NE2 3.29Å; G161-H235 VanDerWaalsContact O-NE2 3.14Å; V162-H235 PolarHBondContact O-CD2 2.88Å; V162-H235 PolarHBondContact O-NE2 2.86Å; P165-H235 HydrophobicContact CG-CB 4.36Å; I231-H235 VanDerWaalsContact O-CB 3.28Å; I231-H235 WeakPolarHBondContact O-CB 3.42Å; I231-H235 PolarHBondContact O-N 3.28Å; V232-H235 PolarHBondContact O-N 3.13Å; H235-G237 PolarHBondContact O-N 3.37Å
236	C	98.1	Very high	98.4	Very high	2 Å²	2	5.8 Å²	5.8	1%	0.014	3%	0.028	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	2.7	176.9	-62	0	0	0	0	114.7	K108 F160 V232 A233 R234 M238	K108-C236 HydrophobicContact CB-CB 3.91Å; K108-C236 HydrophobicContact CD-CB 4.05Å; K108-C236 WeakPolarHBondContact CD-O 3.36Å; K108-C236 VanDerWaalsContact CE-O 3.25Å; K108-C236 WeakPolarHBondContact CE-O 3.42Å; K108-C236 HydrophobicContact CG-CB 3.88Å; K108-C236 PolarHBondContact NZ-O 2.86Å; F160-C236 WeakPolarHBondContact O-CA 3.29Å; V232-C236 WeakPolarHBondContact O-CB 3.26Å; V232-C236 PolarHBondContact O-N 2.85Å; V232-C236 PolarHBondContact O-SG 3.47Å; A233-C236 CarbonylContact O-C 3.56Å; A233-C236 PolarHBondContact O-N 2.57Å; A233-C236 VanDerWaalsContact O-N 3.16Å; R234-C236 PolarHBondContact O-N 3.27Å; C236-M238 VanDerWaalsContact C-N 3.34Å; C236-M238 HydrophobicContact CB-CE 4.28Å; C236-M238 PolarHBondContact O-N 3.5Å
237	G	97.3	Very high	98.2	Very high	12 Å²	12	5.8 Å²	5.8	12%	0.124	3%	0.028	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.2	13.9	-178.8	0	0	0	0	0	115.2	A233 R234 H235 Y293	A233-G237 PolarHBondContact O-N 3.44Å; R234-G237 PolarHBondContact O-N 2.79Å; H235-G237 PolarHBondContact O-N 3.37Å; G237-Y293 WeakPolarHBondContact CA-OH 3.41Å; G237-Y293 VanDerWaalsContact O-CE2 3.24Å; G237-Y293 WeakPolarHBondContact O-CE2 3.33Å; G237-Y293 PolarHBondContact O-OH 3.34Å
238	M	98.3	Very high	98	Very high	1 Å²	1	6.3 Å²	6.3	1%	0.005	3%	0.03	C	C	.	.			trans	-76.1	145.2	175	-62.7	-173.9	-73.1	0	0	110.4	M104 F107 V112 Q113 V115 A233 R234 C236	M104-M238 HydrophobicContact CB-CE 4.24Å; M104-M238 VanDerWaalsContact O-CE 3.24Å; M104-M238 WeakPolarHBondContact O-CE 3.31Å; F107-M238 HydrophobicContact CB-CE 4.4Å; F107-M238 HydrophobicContact CB-SD 4.27Å; V112-M238 HydrophobicContact CB-SD 4.06Å; V112-M238 HydrophobicContact CG1-SD 3.85Å; Q113-M238 WeakPolarHBondContact O-CA 3.31Å; V115-M238 HydrophobicContact CG2-CB 4.24Å; V115-M238 HydrophobicContact CG2-CE 3.94Å; V115-M238 HydrophobicContact CG2-SD 3.73Å; A233-M238 HydrophobicContact CB-CB 4.29Å; A233-M238 HydrophobicContact CB-CE 3.7Å; A233-M238 WeakPolarHBondContact O-CB 3.31Å; A233-M238 PolarHBondContact O-N 3.02Å; R234-M238 WeakPolarHBondContact CD-O 3.25Å; R234-M238 PolarHBondContact NH1-O 3.3Å; C236-M238 VanDerWaalsContact C-N 3.34Å; C236-M238 HydrophobicContact CB-CE 4.28Å; C236-M238 PolarHBondContact O-N 3.5Å
239	R	98.4	Very high	97.8	Very high	30 Å²	30	9.1 Å²	9.1	11%	0.113	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	145.6	167.8	-60.3	175.1	67	-165.7	4.3	108.8	Q113 T114 V115 D172 L175	Q113-R239 PolarHBondContact O-N 3.17Å; T114-R239 CarbonylContact C-O 3.49Å; T114-R239 VanDerWaalsContact CA-O 3.31Å; T114-R239 WeakPolarHBondContact CA-O 3.46Å; T114-R239 HydrophobicContact CG2-CB 4.29Å; V115-R239 PolarHBondContact N-O 2.73Å; D172-R239 HydrophobicContact CB-CB 4.39Å; D172-R239 IonicContact OD1-CZ 3.66Å; D172-R239 IonicContact OD1-NE 3.13Å; D172-R239 IonicContact OD1-NH2 2.81Å; D172-R239 PolarHBondContact OD1-NH2 3.16Å; D172-R239 IonicContact OD2-CZ 3.51Å; D172-R239 IonicContact OD2-NE 3.65Å; D172-R239 PolarHBondContact OD2-NE 2.8Å; D172-R239 IonicContact OD2-NH2 3.39Å; D172-R239 PolarHBondContact OD2-NH2 3.29Å; L175-R239 HydrophobicContact CD1-CB 3.89Å
240	V	98.8	Very high	97.3	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	133.6	-175.1	-177.1	0	0	0	0	110.6	V115 I117 Y171 D172 V230 A233 R234	V115-V240 WeakPolarHBondContact O-CA 3.44Å; I117-V240 HydrophobicContact CD1-CG1 4.08Å; Y171-V240 HydrophobicContact CD1-CG1 4.47Å; D172-V240 WeakPolarHBondContact CB-O 3.16Å; D172-V240 PolarHBondContact N-O 3.15Å; V230-V240 HydrophobicContact CG1-CG1 4.27Å; V230-V240 HydrophobicContact CG2-CG1 4.07Å; A233-V240 HydrophobicContact CB-CG2 3.72Å; R234-V240 HydrophobicContact CG-CG2 4.15Å
241	V	98.6	Very high	96.8	Very high	2 Å²	2	10.8 Å²	10.8	1%	0.012	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	137.9	161.6	60	0	0	0	0	108.2	V115 V116 I117 L175 A179	V115-V241 PolarHBondContact O-N 2.99Å; V116-V241 WeakPolarHBondContact CA-O 3.5Å; V116-V241 HydrophobicContact CB-CG1 4.23Å; V116-V241 HydrophobicContact CG1-CG1 4.17Å; V116-V241 HydrophobicContact CG2-CG1 3.79Å; I117-V241 PolarHBondContact N-O 3.09Å; L175-V241 HydrophobicContact CB-CB 3.78Å; L175-V241 HydrophobicContact CB-CG1 4.3Å; L175-V241 HydrophobicContact CB-CG2 4.33Å; L175-V241 HydrophobicContact CD1-CB 4.21Å; L175-V241 HydrophobicContact CD1-CG1 4.25Å; A179-V241 HydrophobicContact CB-CG2 4.36Å
242	A	98.8	Very high	96.4	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	142.3	-179	0	0	0	0	0	111.7	I117 I136 Y171 T226	I117-A242 HydrophobicContact CB-CB 4.07Å; I117-A242 CarbonylContact O-C 3.58Å; I117-A242 WeakPolarHBondContact O-CA 3.4Å; I136-A242 HydrophobicContact CB-CB 4.17Å; I136-A242 HydrophobicContact CD1-CB 3.6Å; I136-A242 HydrophobicContact CG1-CB 4.28Å; I136-A242 PolarHBondContact N-O 3.07Å; Y171-A242 HydrophobicContact CD1-CB 4.11Å; Y171-A242 HydrophobicContact CE1-CB 3.75Å; T226-A242 HydrophobicContact CG2-CB 4.13Å
243	L	98.7	Very high	96.1	Very high	4 Å²	4	16.5 Å²	16.5	2%	0.021	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	130.6	-175.1	-55	174	0	0	0	109.2	I117 T118 N119 M134 I135 M276 L279 V280	I117-L243 PolarHBondContact O-N 3.37Å; T118-L243 CarbonylContact C-O 3.57Å; T118-L243 VanDerWaalsContact CA-O 3.27Å; T118-L243 WeakPolarHBondContact CA-O 3.25Å; N119-L243 PolarHBondContact N-O 3.18Å; M134-L243 CarbonylContact O-C 3.52Å; M134-L243 WeakPolarHBondContact O-CA 3.3Å; I135-L243 HydrophobicContact CB-CD2 4.27Å; I135-L243 HydrophobicContact CG1-CD2 3.7Å; L243-M276 HydrophobicContact CB-CE 4.33Å; L243-M276 HydrophobicContact CB-SD 4.09Å; L243-M276 HydrophobicContact CD1-SD 3.76Å; L243-L279 HydrophobicContact CD1-CD2 4.12Å; L243-V280 HydrophobicContact CD1-CG2 3.83Å
244	S	98.5	Very high	95.8	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	128.8	170.3	-73.5	0	0	0	0	109.5	N119 I133 M134	N119-S244 VanDerWaalsContact CG-OG 3.23Å; N119-S244 PolarHBondContact ND2-OG 3.48Å; N119-S244 VanDerWaalsContact ND2-OG 3.07Å; N119-S244 CarbonylContact O-C 3.54Å; N119-S244 WeakPolarHBondContact O-CA 3.44Å; N119-S244 VanDerWaalsContact OD1-CB 3.32Å; N119-S244 WeakPolarHBondContact OD1-CB 3.28Å; N119-S244 PolarHBondContact OD1-OG 3Å; I133-S244 CarbonylContact C-O 3.57Å; I133-S244 WeakPolarHBondContact CA-O 3.42Å; M134-S244 PolarHBondContact N-O 3.37Å; M134-S244 PolarHBondContact O-N 2.9Å
245	L	97.6	Very high	95.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	121.3	161.5	178	63.8	0	0	0	108	L39 N119 A120 A121 I133 T247 R272 M276	L39-L245 HydrophobicContact CD2-CD2 4.25Å; N119-L245 PolarHBondContact O-N 2.86Å; A120-L245 WeakPolarHBondContact CA-O 3.46Å; A121-L245 PolarHBondContact N-O 3.29Å; I133-L245 HydrophobicContact CG1-CD1 4.27Å; L245-T247 HydrophobicContact CB-CG2 4.42Å; L245-T247 HydrophobicContact CD2-CG2 3.96Å; L245-T247 HydrophobicContact CG-CG2 3.92Å; L245-T247 PolarHBondContact O-N 2.76Å; L245-T247 VanDerWaalsContact O-N 3.13Å; L245-R272 HydrophobicContact CD1-CB 3.59Å; L245-R272 HydrophobicContact CD1-CG 3.93Å; L245-R272 HydrophobicContact CD2-CB 4.12Å; L245-M276 HydrophobicContact CB-CE 3.97Å
246	I	97.6	Very high	95	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	104.1	174.6	-55	-53.8	0	0	0	108	A121 F128 G131 D132 M134 A221 L249	A121-I246 HydrophobicContact CB-CD1 4.5Å; A121-I246 WeakPolarHBondContact O-CA 3.43Å; F128-I246 HydrophobicContact CD2-CD1 3.78Å; F128-I246 HydrophobicContact CD2-CG1 3.82Å; F128-I246 HydrophobicContact CE2-CD1 4.16Å; F128-I246 HydrophobicContact CE2-CG1 4.47Å; G131-I246 PolarHBondContact N-O 3.47Å; D132-I246 HydrophobicContact CB-CB 4.28Å; D132-I246 HydrophobicContact CB-CG1 4.03Å; D132-I246 PolarHBondContact O-N 3.13Å; M134-I246 HydrophobicContact CB-CD1 4.39Å; A221-I246 HydrophobicContact CB-CD1 3.84Å; I246-L249 HydrophobicContact CG2-CD2 4.06Å
247	T	94.5	Very high	94.4	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.012	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	-19.5	-171.4	45.8	0	0	0	0	114.2	A120 A121 L245 V265 T268	A120-T247 HydrophobicContact CB-CG2 3.63Å; A121-T247 PolarHBondContact O-N 3.22Å; A121-T247 PolarHBondContact O-OG1 3.42Å; L245-T247 HydrophobicContact CB-CG2 4.42Å; L245-T247 HydrophobicContact CD2-CG2 3.96Å; L245-T247 HydrophobicContact CG-CG2 3.92Å; L245-T247 PolarHBondContact O-N 2.76Å; L245-T247 VanDerWaalsContact O-N 3.13Å; T247-V265 HydrophobicContact CG2-CG1 4Å; T247-T268 HydrophobicContact CG2-CG2 4.25Å; T247-T268 PolarHBondContact O-OG1 2.89Å
248	N	93.3	Very high	93.9	Very high	10 Å²	10	41.6 Å²	41.6	5%	0.053	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	161.8	176	61.9	-74.4	0	0	0	108.1	G122 G123	G122-N248 WeakPolarHBondContact CA-O 3.25Å; G123-N248 PolarHBondContact N-O 3.07Å
249	L	93.5	Very high	93.2	Very high	63 Å²	63	50 Å²	50	33%	0.33	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	141.1	167.6	-62.5	179.5	0	0	0	109.3	F128 V130 I246 V251	F128-L249 HydrophobicContact CB-CD2 4.43Å; F128-L249 WeakPolarHBondContact O-CD2 3.44Å; V130-L249 HydrophobicContact CG2-CG 4.16Å; I246-L249 HydrophobicContact CG2-CD2 4.06Å; L249-V251 PolarHBondContact O-N 3.43Å
250	A	89	Confident	92.4	Very high	10 Å²	10	50.2 Å²	50.2	8%	0.083	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-70.6	128.8	177.7	0	0	0	0	0	109.6	G123 L124 C211 M252	G123-A250 WeakPolarHBondContact O-CB 3.44Å; G123-A250 PolarHBondContact O-N 3.17Å; L124-A250 HydrophobicContact CD2-CB 3.51Å; L124-A250 HydrophobicContact CG-CB 4.16Å; C211-A250 HydrophobicContact CB-CB 4.33Å; A250-M252 PolarHBondContact O-N 2.79Å
251	V	89.3	Confident	91.7	Very high	32 Å²	32	53.2 Å²	53.2	19%	0.194	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-73.2	118.5	177.7	-177	0	0	0	0	108.8	I208 L249 E258	I208-V251 HydrophobicContact CD1-CG1 4.32Å; I208-V251 HydrophobicContact CG1-CG1 4.18Å; I208-V251 WeakPolarHBondContact CG1-O 3.38Å; L249-V251 PolarHBondContact O-N 3.43Å; V251-E258 HydrophobicContact CG2-CB 4.05Å
252	M	90.4	Very high	90.7	Very high	28 Å²	28	56.6 Å²	56.6	14%	0.138	30%	0.297	C	S	.	.			trans	-121	1.1	-179.3	-70.9	-162.4	-65.3	0	0	114.3	L124 Q126 C211 R212 H215 A250	L124-M252 HydrophobicContact CD2-SD 4.42Å; Q126-M252 HydrophobicContact CG-CE 3.97Å; C211-M252 HydrophobicContact CB-CG 3.55Å; C211-M252 HydrophobicContact CB-SD 4.13Å; R212-M252 HydrophobicContact CG-CB 4.33Å; R212-M252 HydrophobicContact CG-CG 4.4Å; R212-M252 HydrophobicContact CG-SD 4.35Å; R212-M252 VanDerWaalsContact CZ-O 3.25Å; R212-M252 PolarHBondContact NE-O 3.47Å; R212-M252 PolarHBondContact NH2-O 2.82Å; H215-M252 HydrophobicContact CB-SD 3.94Å; A250-M252 PolarHBondContact O-N 2.79Å
253	D	91.1	Very high	89.9	Confident	99 Å²	99	62.4 Å²	62.4	53%	0.529	32%	0.324	S	S	.	.			trans	-110.9	129.7	174.8	-171.6	3.2	0	0	0	110.6	I208 G255 S256	I208-D253 WeakPolarHBondContact CD1-O 3.34Å; D253-G255 PolarHBondContact O-N 3.14Å; D253-G255 PolarHBondContact OD1-N 3.11Å; D253-S256 WeakPolarHBondContact O-CB 3.27Å; D253-S256 PolarHBondContact O-N 3.29Å
254	Y	92.6	Very high	89.1	Confident	152 Å²	152	65.5 Å²	65.5	60%	0.596	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-15.8	175.2	-67.9	-73	0	0	0	112.7	I208	I208-Y254 HydrophobicContact CB-CD1 4.21Å; I208-Y254 HydrophobicContact CB-CE1 3.76Å; I208-Y254 HydrophobicContact CD1-CD1 3.44Å; I208-Y254 VanDerWaalsContact CD1-CD1 3.44Å; I208-Y254 HydrophobicContact CD1-CE1 3.86Å; I208-Y254 HydrophobicContact CD1-CG 4.02Å; I208-Y254 HydrophobicContact CG1-CD1 4.43Å; I208-Y254 HydrophobicContact CG1-CE1 4.43Å; I208-Y254 HydrophobicContact CG2-CD1 4.08Å; I208-Y254 HydrophobicContact CG2-CD2 4.12Å; I208-Y254 HydrophobicContact CG2-CE1 3.72Å; I208-Y254 HydrophobicContact CG2-CE2 3.76Å; I208-Y254 HydrophobicContact CG2-CG 4.26Å
255	G	91.3	Very high	88.3	Confident	64 Å²	64	66 Å²	66	66%	0.66	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-6.8	172.1	0	0	0	0	0	115.1	D253	D253-G255 PolarHBondContact O-N 3.14Å; D253-G255 PolarHBondContact OD1-N 3.11Å
256	S	88.7	Confident	87.5	Confident	50 Å²	50	66.7 Å²	66.7	35%	0.35	34%	0.344	S	S	.	.			trans	-79	141.9	-179.8	-176.7	0	0	0	0	112.2	D253 E258	D253-S256 WeakPolarHBondContact O-CB 3.27Å; D253-S256 PolarHBondContact O-N 3.29Å; S256-E258 PolarHBondContact OG-N 3.47Å
257	E	86.3	Confident	86.8	Confident	186 Å²	186	72 Å²	72	87%	0.869	37%	0.369	S	S	*	.			trans	-96.1	-5.3	172	-62.3	-170.2	167.8	0	0	113
258	E	86.1	Confident	86.2	Confident	141 Å²	141	72.2 Å²	72.2	66%	0.659	37%	0.371	S	S	*	.			trans	-66	146.2	-179.8	-65.9	-174.7	171.3	0	0	111.7	V251 S256	V251-E258 HydrophobicContact CG2-CB 4.05Å; S256-E258 PolarHBondContact OG-N 3.47Å
259	K	83.9	Confident	85.5	Confident	176 Å²	176	71.7 Å²	71.7	77%	0.765	37%	0.368	S	S	*	.			trans	-138.1	126	-180	-63.9	-178.7	-175.1	175.9	0	110.4	N261	K259-N261 PolarHBondContact O-N 3.32Å; K259-N261 PolarHBondContact O-ND2 2.89Å
260	A	82.2	Confident	84.9	Confident	35 Å²	35	76.3 Å²	76.3	29%	0.289	39%	0.385	S	S	.	.			trans	-58.7	133.2	171.7	0	0	0	0	0	110.3	F205	F205-A260 HydrophobicContact CB-CB 4.11Å; F205-A260 HydrophobicContact CD1-CB 3.9Å; F205-A260 HydrophobicContact CD2-CB 3.79Å; F205-A260 HydrophobicContact CE1-CB 4.23Å; F205-A260 HydrophobicContact CE2-CB 4.14Å; F205-A260 HydrophobicContact CG-CB 3.66Å; F205-A260 HydrophobicContact CZ-CB 4.34Å
261	N	83.3	Confident	84.7	Confident	64 Å²	64	81.6 Å²	81.6	34%	0.342	41%	0.408	S	S	.	.			trans	-145	148.8	179.1	70.7	85.5	0	0	0	110.4	K259 E263 E264 V265	K259-N261 PolarHBondContact O-N 3.32Å; K259-N261 PolarHBondContact O-ND2 2.89Å; N261-E263 PolarHBondContact O-N 3.05Å; N261-E263 PolarHBondContact OD1-N 3.01Å; N261-E264 PolarHBondContact ND2-OE2 3.16Å; N261-E264 VanDerWaalsContact OD1-CB 3.26Å; N261-E264 WeakPolarHBondContact OD1-CB 3.45Å; N261-E264 PolarHBondContact OD1-N 3.33Å; N261-V265 WeakPolarHBondContact O-CG2 3.47Å
262	H	78.8	Confident	84.6	Confident	73 Å²	73	82.9 Å²	82.9	34%	0.338	41%	0.41	S	S	.	.	H	α-helix	trans	-72.4	-26.8	-174	-173.2	66.8	0	0	0	113.7	V265 L266	H262-V265 WeakPolarHBondContact O-CB 3.48Å; H262-V265 PolarHBondContact O-N 3.27Å; H262-L266 PolarHBondContact O-N 3.14Å
263	E	82.3	Confident	84.5	Confident	121 Å²	121	82.3 Å²	82.3	57%	0.565	41%	0.409	S	S	*	.	H	α-helix	trans	-68.4	-42.9	-179.1	-172.2	62	-160.3	0	0	111.4	N261 V265 L266 Q267	N261-E263 PolarHBondContact O-N 3.05Å; N261-E263 PolarHBondContact OD1-N 3.01Å; E263-V265 VanDerWaalsContact C-N 3.26Å; E263-V265 PolarHBondContact O-N 3.42Å; E263-L266 PolarHBondContact O-N 2.91Å; E263-L266 VanDerWaalsContact O-N 3.14Å; E263-Q267 PolarHBondContact O-N 3.41Å
264	E	81.5	Confident	84.6	Confident	70 Å²	70	82.2 Å²	82.2	33%	0.327	41%	0.405	S	S	.	.	H	α-helix	trans	-59.1	-39	173.3	-176.9	-179.8	174.9	0	0	111.6	N261 L266 Q267 T268	N261-E264 PolarHBondContact ND2-OE2 3.16Å; N261-E264 VanDerWaalsContact OD1-CB 3.26Å; N261-E264 WeakPolarHBondContact OD1-CB 3.45Å; N261-E264 PolarHBondContact OD1-N 3.33Å; E264-L266 VanDerWaalsContact C-N 3.33Å; E264-L266 PolarHBondContact O-N 3.02Å; E264-Q267 PolarHBondContact O-N 3.48Å; E264-T268 PolarHBondContact O-N 3.33Å; E264-T268 PolarHBondContact O-OG1 3.37Å
265	V	81.6	Confident	84.7	Confident	9 Å²	9	77 Å²	77	6%	0.055	39%	0.387	C	S	.	.	H	α-helix	trans	-58.2	-46	175.3	172.5	0	0	0	0	111.3	A120 T247 N261 H262 E263 G269	A120-V265 HydrophobicContact CB-CG1 3.68Å; T247-V265 HydrophobicContact CG2-CG1 4Å; N261-V265 WeakPolarHBondContact O-CG2 3.47Å; H262-V265 WeakPolarHBondContact O-CB 3.48Å; H262-V265 PolarHBondContact O-N 3.27Å; E263-V265 VanDerWaalsContact C-N 3.26Å; E263-V265 PolarHBondContact O-N 3.42Å; V265-G269 PolarHBondContact O-N 3.03Å
266	L	79.9	Confident	84.9	Confident	15 Å²	15	74 Å²	74	8%	0.079	36%	0.355	C	S	.	.	H	α-helix	trans	-67.8	-36.2	177.6	-64.5	178.1	0	0	0	112.1	H262 E263 E264 G269 K270	H262-L266 PolarHBondContact O-N 3.14Å; E263-L266 PolarHBondContact O-N 2.91Å; E263-L266 VanDerWaalsContact O-N 3.14Å; E264-L266 VanDerWaalsContact C-N 3.33Å; E264-L266 PolarHBondContact O-N 3.02Å; L266-G269 PolarHBondContact O-N 2.9Å; L266-K270 WeakPolarHBondContact O-CG 3.39Å; L266-K270 PolarHBondContact O-N 3.12Å; L266-K270 VanDerWaalsContact O-N 3.07Å
267	Q	83.3	Confident	85.3	Confident	112 Å²	112	73.4 Å²	73.4	52%	0.523	35%	0.347	S	S	.	.	H	α-helix	trans	-66.2	-48.2	177.7	-174.3	175.9	0.2	0	0	111.7	E263 E264 G269 K270 Q271	E263-Q267 PolarHBondContact O-N 3.41Å; E264-Q267 PolarHBondContact O-N 3.48Å; Q267-G269 VanDerWaalsContact C-N 3.28Å; Q267-G269 PolarHBondContact O-N 3.22Å; Q267-K270 WeakPolarHBondContact O-CB 3.42Å; Q267-K270 PolarHBondContact O-N 3.43Å; Q267-K270 VanDerWaalsContact O-N 3.16Å; Q267-Q271 WeakPolarHBondContact O-CG 3.45Å; Q267-Q271 PolarHBondContact O-N 3.44Å; Q267-Q271 VanDerWaalsContact O-N 3.1Å
268	T	82.4	Confident	85.8	Confident	6 Å²	6	70.6 Å²	70.6	4%	0.037	33%	0.328	C	S	.	.	H	α-helix	trans	-62.4	-39.1	175.3	-58.5	0	0	0	0	111	V130 T247 E264 K270 Q271 R272	V130-T268 HydrophobicContact CG1-CG2 3.56Å; V130-T268 WeakPolarHBondContact CG1-OG1 3.3Å; T247-T268 HydrophobicContact CG2-CG2 4.25Å; T247-T268 PolarHBondContact O-OG1 2.89Å; E264-T268 PolarHBondContact O-N 3.33Å; E264-T268 PolarHBondContact O-OG1 3.37Å; T268-K270 VanDerWaalsContact C-N 3.32Å; T268-K270 PolarHBondContact O-N 3.19Å; T268-Q271 PolarHBondContact O-N 3.5Å; T268-Q271 VanDerWaalsContact O-N 3.11Å; T268-R272 PolarHBondContact O-N 3.01Å; T268-R272 VanDerWaalsContact O-N 3.15Å
269	G	79.1	Confident	86.3	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-49.2	-52.1	170.4	0	0	0	0	0	112.2	V265 L266 Q267 Q271 R272 A273	V265-G269 PolarHBondContact O-N 3.03Å; L266-G269 PolarHBondContact O-N 2.9Å; Q267-G269 VanDerWaalsContact C-N 3.28Å; Q267-G269 PolarHBondContact O-N 3.22Å; G269-Q271 VanDerWaalsContact C-N 3.35Å; G269-Q271 PolarHBondContact O-N 3.17Å; G269-R272 PolarHBondContact O-N 3.17Å; G269-A273 WeakPolarHBondContact O-CA 3.47Å; G269-A273 WeakPolarHBondContact O-CB 3.29Å; G269-A273 PolarHBondContact O-N 3.39Å
270	K	80.3	Confident	87	Confident	159 Å²	159	55.5 Å²	55.5	69%	0.691	26%	0.261	S	S	*	.	H	α-helix	trans	-63.1	-36.9	177.9	-70.2	172.6	-177.5	172.3	0	113.3	L266 Q267 T268 R272	L266-K270 WeakPolarHBondContact O-CG 3.39Å; L266-K270 PolarHBondContact O-N 3.12Å; L266-K270 VanDerWaalsContact O-N 3.07Å; Q267-K270 WeakPolarHBondContact O-CB 3.42Å; Q267-K270 PolarHBondContact O-N 3.43Å; Q267-K270 VanDerWaalsContact O-N 3.16Å; T268-K270 VanDerWaalsContact C-N 3.32Å; T268-K270 PolarHBondContact O-N 3.19Å; K270-R272 VanDerWaalsContact C-N 3.32Å; K270-R272 PolarHBondContact O-N 2.97Å
271	Q	83.9	Confident	87.7	Confident	121 Å²	121	54.4 Å²	54.4	57%	0.565	25%	0.251	S	S	*	.	H	α-helix	trans	-67.6	-31.1	-178.9	-70.7	175.8	2.1	0	0	113.2	Q267 T268 G269 Q275	Q267-Q271 WeakPolarHBondContact O-CG 3.45Å; Q267-Q271 PolarHBondContact O-N 3.44Å; Q267-Q271 VanDerWaalsContact O-N 3.1Å; T268-Q271 PolarHBondContact O-N 3.5Å; T268-Q271 VanDerWaalsContact O-N 3.11Å; G269-Q271 VanDerWaalsContact C-N 3.35Å; G269-Q271 PolarHBondContact O-N 3.17Å; Q271-Q275 PolarHBondContact O-OE1 3.07Å
272	R	88.8	Confident	88.4	Confident	60 Å²	60	52.9 Å²	52.9	23%	0.226	25%	0.245	C	C	.	.	H	α-helix	trans	-111.3	2.9	-178.8	-68.7	-63.4	-166	170.8	5.8	114.5	G131 L245 T268 G269 K270 E274 Q275 M276	G131-R272 PolarHBondContact O-NE 2.8Å; G131-R272 VanDerWaalsContact O-NE 3.11Å; L245-R272 HydrophobicContact CD1-CB 3.59Å; L245-R272 HydrophobicContact CD1-CG 3.93Å; L245-R272 HydrophobicContact CD2-CB 4.12Å; T268-R272 PolarHBondContact O-N 3.01Å; T268-R272 VanDerWaalsContact O-N 3.15Å; G269-R272 PolarHBondContact O-N 3.17Å; K270-R272 VanDerWaalsContact C-N 3.32Å; K270-R272 PolarHBondContact O-N 2.97Å; R272-E274 VanDerWaalsContact C-N 3.33Å; R272-E274 PolarHBondContact O-N 3.18Å; R272-Q275 PolarHBondContact O-N 2.94Å; R272-M276 PolarHBondContact O-N 2.69Å
273	A	87.1	Confident	89.3	Confident	15 Å²	15	49.6 Å²	49.6	12%	0.124	23%	0.23	C	C	.	.	H	α-helix	trans	-54	-50.1	179.7	0	0	0	0	0	111	G269 Q275 M276 E277	G269-A273 WeakPolarHBondContact O-CA 3.47Å; G269-A273 WeakPolarHBondContact O-CB 3.29Å; G269-A273 PolarHBondContact O-N 3.39Å; A273-Q275 VanDerWaalsContact C-N 3.34Å; A273-Q275 PolarHBondContact O-N 3.41Å; A273-M276 PolarHBondContact O-N 3.46Å; A273-E277 WeakPolarHBondContact O-CB 3.38Å; A273-E277 VanDerWaalsContact O-CG 3.25Å; A273-E277 WeakPolarHBondContact O-CG 3.33Å; A273-E277 PolarHBondContact O-N 2.95Å
274	E	92.7	Very high	90	Very high	97 Å²	97	43.8 Å²	43.8	45%	0.453	20%	0.203	S	C	.	.	H	α-helix	trans	-61	-41.3	-178.9	-174.3	179.9	-166.7	0	0	112.2	R272 E277 R278	R272-E274 VanDerWaalsContact C-N 3.33Å; R272-E274 PolarHBondContact O-N 3.18Å; E274-E277 PolarHBondContact O-N 3.5Å; E274-R278 WeakPolarHBondContact O-CB 3.23Å; E274-R278 VanDerWaalsContact O-CG 3.25Å; E274-R278 WeakPolarHBondContact O-CG 3.18Å; E274-R278 PolarHBondContact O-N 2.86Å; E274-R278 IonicContact OE1-CZ 3.23Å; E274-R278 VanDerWaalsContact OE1-CZ 3.23Å; E274-R278 IonicContact OE1-NE 3.28Å; E274-R278 PolarHBondContact OE1-NE 3.33Å; E274-R278 IonicContact OE1-NH2 2.62Å; E274-R278 PolarHBondContact OE1-NH2 3.14Å
275	Q	95.8	Very high	90.7	Very high	43 Å²	43	44.3 Å²	44.3	20%	0.201	21%	0.208	C	C	.	.	H	α-helix	trans	-68.1	-44.1	178.8	-70	75.3	19.6	0	0	111.3	I133 Y188 F191 Q271 R272 A273 E277 R278 L279	I133-Q275 HydrophobicContact CD1-CB 4.48Å; Y188-Q275 HydrophobicContact CE1-CB 4.43Å; Y188-Q275 HydrophobicContact CE1-CG 4.09Å; Y188-Q275 HydrophobicContact CE2-CB 3.86Å; Y188-Q275 HydrophobicContact CE2-CG 4.41Å; Y188-Q275 WeakPolarHBondContact CE2-O 3.37Å; Y188-Q275 WeakPolarHBondContact OH-CA 3.49Å; Y188-Q275 PolarHBondContact OH-O 2.87Å; F191-Q275 HydrophobicContact CE2-CB 4.48Å; F191-Q275 HydrophobicContact CZ-CG 4.31Å; Q271-Q275 PolarHBondContact O-OE1 3.07Å; R272-Q275 PolarHBondContact O-N 2.94Å; A273-Q275 VanDerWaalsContact C-N 3.34Å; A273-Q275 PolarHBondContact O-N 3.41Å; Q275-E277 VanDerWaalsContact C-N 3.33Å; Q275-E277 PolarHBondContact O-N 3.36Å; Q275-R278 PolarHBondContact O-N 3.3Å; Q275-L279 WeakPolarHBondContact O-CB 3.39Å; Q275-L279 PolarHBondContact O-N 2.89Å
276	M	95.8	Very high	91.4	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-60.8	-43.8	175.2	-174.3	67.9	76.1	0	0	111.3	L39 T118 I133 L243 L245 R272 A273 L279 V280	L39-M276 HydrophobicContact CD1-CE 4.32Å; L39-M276 HydrophobicContact CD1-CG 4.31Å; L39-M276 HydrophobicContact CD2-CB 4.12Å; L39-M276 HydrophobicContact CD2-CG 3.99Å; T118-M276 HydrophobicContact CG2-SD 4.43Å; I133-M276 HydrophobicContact CB-CE 4.44Å; I133-M276 HydrophobicContact CD1-CB 4.49Å; I133-M276 HydrophobicContact CD1-CE 4.1Å; I133-M276 HydrophobicContact CD1-SD 4.38Å; I133-M276 HydrophobicContact CG1-CE 3.93Å; I133-M276 HydrophobicContact CG2-CE 3.83Å; I133-M276 HydrophobicContact CG2-SD 4.25Å; L243-M276 HydrophobicContact CB-CE 4.33Å; L243-M276 HydrophobicContact CB-SD 4.09Å; L243-M276 HydrophobicContact CD1-SD 3.76Å; L245-M276 HydrophobicContact CB-CE 3.97Å; R272-M276 PolarHBondContact O-N 2.69Å; A273-M276 PolarHBondContact O-N 3.46Å; M276-L279 PolarHBondContact O-N 2.94Å; M276-V280 HydrophobicContact CG-CG2 4.36Å; M276-V280 WeakPolarHBondContact O-CB 3.34Å; M276-V280 WeakPolarHBondContact O-CG2 3.31Å; M276-V280 PolarHBondContact O-N 2.96Å; M276-V280 HydrophobicContact SD-CG2 4.27Å
277	E	95.5	Very high	92.1	Very high	38 Å²	38	47.6 Å²	47.6	18%	0.178	22%	0.219	C	C	.	.	H	α-helix	trans	-59.4	-47.3	176.7	-85.6	172.2	-155	0	0	112.9	G41 L42 L45 A273 E274 Q275 S281	G41-E277 VanDerWaalsContact C-OE1 3.27Å; G41-E277 VanDerWaalsContact CA-OE1 3.26Å; G41-E277 WeakPolarHBondContact CA-OE1 3.43Å; L42-E277 HydrophobicContact CD2-CB 4.33Å; L42-E277 HydrophobicContact CD2-CG 3.88Å; L42-E277 HydrophobicContact CG-CG 4.04Å; L45-E277 HydrophobicContact CD1-CB 3.81Å; L45-E277 HydrophobicContact CD1-CG 4.04Å; L45-E277 HydrophobicContact CG-CG 4.44Å; A273-E277 WeakPolarHBondContact O-CB 3.38Å; A273-E277 VanDerWaalsContact O-CG 3.25Å; A273-E277 WeakPolarHBondContact O-CG 3.33Å; A273-E277 PolarHBondContact O-N 2.95Å; E274-E277 PolarHBondContact O-N 3.5Å; Q275-E277 VanDerWaalsContact C-N 3.33Å; Q275-E277 PolarHBondContact O-N 3.36Å; E277-S281 VanDerWaalsContact O-CB 3.27Å; E277-S281 WeakPolarHBondContact O-CB 3.41Å; E277-S281 PolarHBondContact O-N 3.18Å; E277-S281 PolarHBondContact O-OG 2.7Å
278	R	96.8	Very high	92.2	Very high	127 Å²	127	48.6 Å²	48.6	48%	0.479	22%	0.224	S	C	.	.	H	α-helix	trans	-64.4	-41.5	175.1	-72.8	173.8	-178.8	-155.2	2.7	111.9	L186 E274 Q275 S281 S282	L186-R278 HydrophobicContact CD1-CB 4.47Å; E274-R278 WeakPolarHBondContact O-CB 3.23Å; E274-R278 VanDerWaalsContact O-CG 3.25Å; E274-R278 WeakPolarHBondContact O-CG 3.18Å; E274-R278 PolarHBondContact O-N 2.86Å; E274-R278 IonicContact OE1-CZ 3.23Å; E274-R278 VanDerWaalsContact OE1-CZ 3.23Å; E274-R278 IonicContact OE1-NE 3.28Å; E274-R278 PolarHBondContact OE1-NE 3.33Å; E274-R278 IonicContact OE1-NH2 2.62Å; E274-R278 PolarHBondContact OE1-NH2 3.14Å; Q275-R278 PolarHBondContact O-N 3.3Å; R278-S281 PolarHBondContact O-OG 3.25Å; R278-S282 WeakPolarHBondContact O-CB 3.47Å; R278-S282 PolarHBondContact O-N 2.98Å; R278-S282 VanDerWaalsContact O-N 3.09Å; R278-S282 PolarHBondContact O-OG 2.63Å
279	L	98.1	Very high	91.7	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-62.7	-56.2	177.4	178.1	58.3	0	0	0	110.7	I133 V182 L186 Y188 L192 L243 Q275 M276 S281 S282 V283	I133-L279 HydrophobicContact CD1-CD2 4.41Å; I133-L279 HydrophobicContact CG2-CD2 4.02Å; V182-L279 HydrophobicContact CB-CD1 4.2Å; V182-L279 HydrophobicContact CG1-CD1 3.76Å; L186-L279 HydrophobicContact CD1-CB 4.39Å; L186-L279 HydrophobicContact CD1-CD1 4.38Å; Y188-L279 HydrophobicContact CE2-CB 4.12Å; L192-L279 HydrophobicContact CD1-CD2 4.14Å; L243-L279 HydrophobicContact CD1-CD2 4.12Å; Q275-L279 WeakPolarHBondContact O-CB 3.39Å; Q275-L279 PolarHBondContact O-N 2.89Å; M276-L279 PolarHBondContact O-N 2.94Å; L279-S281 PolarHBondContact O-N 3.21Å; L279-S282 PolarHBondContact O-N 3.27Å; L279-V283 HydrophobicContact CD1-CG2 4.14Å; L279-V283 WeakPolarHBondContact O-CG2 3.34Å; L279-V283 PolarHBondContact O-N 2.8Å
280	V	97.8	Very high	91.2	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.006	25%	0.253	C	S	.	.	H	α-helix	trans	-60.1	-47.2	-178.3	170.3	0	0	0	0	111	L42 V116 T118 L243 M276 S282 V283 V284	L42-V280 HydrophobicContact CD1-CG2 4.4Å; L42-V280 HydrophobicContact CD2-CB 3.6Å; L42-V280 HydrophobicContact CD2-CG1 3.72Å; L42-V280 HydrophobicContact CD2-CG2 4.02Å; V116-V280 HydrophobicContact CG1-CG1 4.06Å; V116-V280 HydrophobicContact CG1-CG2 4.25Å; T118-V280 HydrophobicContact CG2-CG2 4.16Å; L243-V280 HydrophobicContact CD1-CG2 3.83Å; M276-V280 HydrophobicContact CG-CG2 4.36Å; M276-V280 WeakPolarHBondContact O-CB 3.34Å; M276-V280 WeakPolarHBondContact O-CG2 3.31Å; M276-V280 PolarHBondContact O-N 2.96Å; M276-V280 HydrophobicContact SD-CG2 4.27Å; V280-S282 VanDerWaalsContact C-N 3.27Å; V280-S282 PolarHBondContact O-N 3.44Å; V280-V283 PolarHBondContact O-N 2.66Å; V280-V284 HydrophobicContact CG1-CG2 4.2Å; V280-V284 WeakPolarHBondContact O-CB 3.22Å; V280-V284 VanDerWaalsContact O-CG2 3.26Å; V280-V284 WeakPolarHBondContact O-CG2 3.4Å; V280-V284 PolarHBondContact O-N 2.87Å
281	S	97.4	Very high	90	Very high	12 Å²	12	51.8 Å²	51.8	8%	0.084	25%	0.253	C	S	.	.	H	α-helix	trans	-63.7	-33.3	179.9	61.7	0	0	0	0	113.1	E277 R278 L279 N285	E277-S281 VanDerWaalsContact O-CB 3.27Å; E277-S281 WeakPolarHBondContact O-CB 3.41Å; E277-S281 PolarHBondContact O-N 3.18Å; E277-S281 PolarHBondContact O-OG 2.7Å; R278-S281 PolarHBondContact O-OG 3.25Å; L279-S281 PolarHBondContact O-N 3.21Å; S281-N285 WeakPolarHBondContact O-CB 3.46Å; S281-N285 PolarHBondContact O-N 3.27Å
282	S	97.8	Very high	88.5	Confident	31 Å²	31	52.9 Å²	52.9	22%	0.217	26%	0.263	C	S	.	.	H	α-helix	trans	-75.4	-37.4	176.5	-58.4	0	0	0	0	112.3	R278 L279 V280 N285 R286	R278-S282 WeakPolarHBondContact O-CB 3.47Å; R278-S282 PolarHBondContact O-N 2.98Å; R278-S282 VanDerWaalsContact O-N 3.09Å; R278-S282 PolarHBondContact O-OG 2.63Å; L279-S282 PolarHBondContact O-N 3.27Å; V280-S282 VanDerWaalsContact C-N 3.27Å; V280-S282 PolarHBondContact O-N 3.44Å; S282-N285 WeakPolarHBondContact O-CB 3.31Å; S282-N285 PolarHBondContact O-N 3.44Å; S282-R286 PolarHBondContact O-N 3.29Å
283	V	97.8	Very high	86.5	Confident	4 Å²	4	56.3 Å²	56.3	2%	0.024	28%	0.277	C	S	.	.	H	α-helix	trans	-61.5	-51.7	170.2	169.9	0	0	0	0	109.8	L178 A179 V182 L279 V280 N285 R286 I287	L178-V283 HydrophobicContact CD2-CG1 4.22Å; A179-V283 HydrophobicContact CB-CG2 4.03Å; V182-V283 HydrophobicContact CB-CG2 4.1Å; V182-V283 HydrophobicContact CG1-CG2 4.15Å; V182-V283 HydrophobicContact CG2-CG2 4.23Å; L279-V283 HydrophobicContact CD1-CG2 4.14Å; L279-V283 WeakPolarHBondContact O-CG2 3.34Å; L279-V283 PolarHBondContact O-N 2.8Å; V280-V283 PolarHBondContact O-N 2.66Å; V283-N285 VanDerWaalsContact C-N 3.27Å; V283-N285 PolarHBondContact O-N 3.1Å; V283-R286 CarbonylContact O-C 3.49Å; V283-R286 WeakPolarHBondContact O-CA 3.37Å; V283-R286 PolarHBondContact O-N 3.38Å; V283-I287 HydrophobicContact CG1-CD1 4.41Å; V283-I287 HydrophobicContact CG1-CG1 4.33Å; V283-I287 WeakPolarHBondContact O-CG1 3.18Å; V283-I287 PolarHBondContact O-N 2.71Å
284	V	97.3	Very high	84	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-53.9	-46.2	178.3	170.7	0	0	0	0	110.5	V31 I33 M77 K80 V116 V280 R286 I287	V31-V284 HydrophobicContact CG1-CG2 4.26Å; I33-V284 HydrophobicContact CD1-CG2 4.35Å; M77-V284 HydrophobicContact CB-CG1 4.05Å; M77-V284 HydrophobicContact CG-CB 4.46Å; M77-V284 HydrophobicContact CG-CG1 4.16Å; M77-V284 HydrophobicContact SD-CB 4.07Å; M77-V284 HydrophobicContact SD-CG1 4.21Å; M77-V284 HydrophobicContact SD-CG2 4.05Å; K80-V284 HydrophobicContact CB-CG1 4.29Å; K80-V284 HydrophobicContact CD-CG1 4.36Å; K80-V284 WeakPolarHBondContact CD-O 3.45Å; K80-V284 WeakPolarHBondContact CE-O 3.39Å; K80-V284 PolarHBondContact NZ-O 2.83Å; V116-V284 HydrophobicContact CG2-CG2 4.28Å; V280-V284 HydrophobicContact CG1-CG2 4.2Å; V280-V284 WeakPolarHBondContact O-CB 3.22Å; V280-V284 VanDerWaalsContact O-CG2 3.26Å; V280-V284 WeakPolarHBondContact O-CG2 3.4Å; V280-V284 PolarHBondContact O-N 2.87Å; V284-R286 PolarHBondContact O-N 3.37Å; V284-I287 HydrophobicContact CG2-CD1 4.36Å; V284-I287 PolarHBondContact O-N 2.83Å
285	N	96.6	Very high	83.6	Confident	80 Å²	80	64.8 Å²	64.8	43%	0.428	32%	0.319	S	S	.	.	H	α-helix	trans	-52.8	-31.3	176	-171.7	50.6	0	0	0	113.9	K78 K80 S281 S282 V283	K78-N285 HydrophobicContact CB-CB 3.8Å; K78-N285 WeakPolarHBondContact CB-OD1 3.35Å; K78-N285 HydrophobicContact CG-CB 4Å; K80-N285 WeakPolarHBondContact CE-O 3.47Å; K80-N285 PolarHBondContact NZ-O 3.33Å; S281-N285 WeakPolarHBondContact O-CB 3.46Å; S281-N285 PolarHBondContact O-N 3.27Å; S282-N285 WeakPolarHBondContact O-CB 3.31Å; S282-N285 PolarHBondContact O-N 3.44Å; V283-N285 VanDerWaalsContact C-N 3.27Å; V283-N285 PolarHBondContact O-N 3.1Å
286	R	96.3	Very high	82.9	Confident	83 Å²	83	65.9 Å²	65.9	31%	0.313	33%	0.325	S	S	.	.	H	α-helix	trans	-103.7	-1.2	-176.1	-69	175.8	62.9	177.7	-8.1	115	L178 E181 E185 S282 V283 V284 E288	L178-R286 HydrophobicContact CD1-CB 3.66Å; L178-R286 HydrophobicContact CD1-CG 4.42Å; L178-R286 HydrophobicContact CD2-CB 3.94Å; L178-R286 HydrophobicContact CG-CB 4.36Å; E181-R286 IonicContact OE2-NH2 3.16Å; E181-R286 PolarHBondContact OE2-NH2 3.17Å; E181-R286 VanDerWaalsContact OE2-NH2 3.16Å; E185-R286 IonicContact OE1-CZ 3.85Å; E185-R286 IonicContact OE1-NH1 2.77Å; E185-R286 PolarHBondContact OE1-NH1 3.21Å; E185-R286 IonicContact OE2-NH1 2.92Å; E185-R286 PolarHBondContact OE2-NH1 3.42Å; S282-R286 PolarHBondContact O-N 3.29Å; V283-R286 CarbonylContact O-C 3.49Å; V283-R286 WeakPolarHBondContact O-CA 3.37Å; V283-R286 PolarHBondContact O-N 3.38Å; V284-R286 PolarHBondContact O-N 3.37Å; R286-E288 PolarHBondContact O-N 3.27Å; R286-E288 VanDerWaalsContact O-N 3.11Å
287	I	94.3	Very high	82.2	Confident	10 Å²	10	69.6 Å²	69.6	5%	0.051	34%	0.344	C	S	.	.			trans	-64.8	107.8	173.1	-67.5	172.1	0	0	0	110.9	V31 K80 T114 V116 L175 L178 V283 V284	V31-I287 HydrophobicContact CG1-CD1 4.35Å; V31-I287 HydrophobicContact CG2-CD1 4.35Å; K80-I287 VanDerWaalsContact NZ-C 3.31Å; K80-I287 PolarHBondContact NZ-O 3.12Å; T114-I287 HydrophobicContact CG2-CD1 3.9Å; T114-I287 HydrophobicContact CG2-CG2 4.33Å; V116-I287 HydrophobicContact CG2-CD1 4.24Å; L175-I287 HydrophobicContact CD2-CG1 4.03Å; L178-I287 HydrophobicContact CD2-CG1 4.43Å; V283-I287 HydrophobicContact CG1-CD1 4.41Å; V283-I287 HydrophobicContact CG1-CG1 4.33Å; V283-I287 WeakPolarHBondContact O-CG1 3.18Å; V283-I287 PolarHBondContact O-N 2.71Å; V284-I287 HydrophobicContact CG2-CD1 4.36Å; V284-I287 PolarHBondContact O-N 2.83Å
288	E	85.8	Confident	81.4	Confident	133 Å²	133	71.5 Å²	71.5	62%	0.621	35%	0.353	S	S	*	.			trans	-72	150.5	172.7	-65.4	-55.7	138.6	0	0	111.9	R286	R286-E288 PolarHBondContact O-N 3.27Å; R286-E288 VanDerWaalsContact O-N 3.11Å
289	P	72.1	Confident	80.5	Confident	83 Å²	83	68 Å²	68	54%	0.539	35%	0.345	S	S	.	.			trans	-54	142.2	172.9	-22.2	32.6	0	0	0	111.4	N291	P289-N291 PolarHBondContact O-N 2.71Å
290	N	67.8	Low	79.3	Confident	21 Å²	21	72.5 Å²	72.5	11%	0.112	37%	0.368	C	S	.	.			trans	-76.9	100	179	-169.5	0.2	0	0	0	110.2	N292 Y293	N290-N292 PolarHBondContact O-N 3.49Å; N290-N292 WeakPolarHBondContact OD1-CB 3.4Å; N290-N292 PolarHBondContact OD1-N 2.74Å; N290-Y293 HydrophobicContact CB-CD2 4.49Å; N290-Y293 VanDerWaalsContact ND2-CD2 3.26Å; N290-Y293 WeakPolarHBondContact ND2-CD2 3.46Å; N290-Y293 WeakPolarHBondContact ND2-CE2 3.27Å
291	N	55.2	Low	78	Confident	129 Å²	129	77.6 Å²	77.6	69%	0.69	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-3	179.8	-69.5	-21.2	0	0	0	114	P289 Y293	P289-N291 PolarHBondContact O-N 2.71Å; N291-Y293 VanDerWaalsContact C-N 3.3Å; N291-Y293 PolarHBondContact O-N 2.99Å
292	N	52.3	Low	76.5	Confident	144 Å²	144	82.7 Å²	82.7	77%	0.77	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	8.6	-179	-66.1	-27.8	0	0	0	114.2	N290	N290-N292 PolarHBondContact O-N 3.49Å; N290-N292 WeakPolarHBondContact OD1-CB 3.4Å; N290-N292 PolarHBondContact OD1-N 2.74Å
293	Y	45.9	Very low	74.7	Confident	132 Å²	132	87 Å²	87	52%	0.518	44%	0.435	S	S	.	.			trans	-124.5	49.3	179.2	-74.7	-76	0	0	0	112.8	G237 N290 N291	G237-Y293 WeakPolarHBondContact CA-OH 3.41Å; G237-Y293 VanDerWaalsContact O-CE2 3.24Å; G237-Y293 WeakPolarHBondContact O-CE2 3.33Å; G237-Y293 PolarHBondContact O-OH 3.34Å; N290-Y293 HydrophobicContact CB-CD2 4.49Å; N290-Y293 VanDerWaalsContact ND2-CD2 3.26Å; N290-Y293 WeakPolarHBondContact ND2-CD2 3.46Å; N290-Y293 WeakPolarHBondContact ND2-CE2 3.27Å; N291-Y293 VanDerWaalsContact C-N 3.3Å; N291-Y293 PolarHBondContact O-N 2.99Å
294	I	35.2	Very low	72.6	Confident	225 Å²	225	94.5 Å²	94.5	100%	1.154	47%	0.472	S	S	*	.			trans	-107.5	0	159.6	-55.9	179.4	0	0	0	108.2

Retrieved 294 of 294 residues in 93.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).