A0A077ZE66_TRITR Loading...

Sugar phosphate phosphatase

Metal-dependent phosphatase that shows phosphatase activity against several substrates, including fructose-1-phosphate and fructose-6-phosphate. Its preference for fructose-1-phosphate, a strong glycating agent that causes DNA damage rather than a canonical yeast metabolite, suggests a damage-control function in hexose phosphate metabolism. Has also been shown to have O-methyltransferase activity that methylates glutamate residues of target proteins to form gamma-glutamyl methyl ester residues. Possibly methylates PCNA, suggesting it is involved in the DNA damage response.

AlphaFold DB , UniProt , Accession A0A077ZE66, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 482 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.2	Very low	46.8	Very low	240 Å²	240	152.3 Å²	152.3	100%	1.182	77%	0.773	S	S	*	*				0	102.8	0	-79.9	175.1	169.2	0	0	108.5	R3	M1-R3 PolarHBondContact O-N 3.12Å; M1-R3 VanDerWaalsContact O-N 3.1Å
2	H	30.2	Very low	50	Low	200 Å²	200	152.2 Å²	152.2	93%	0.926	77%	0.767	S	S	*	*			trans	-60.1	113.4	168.9	-79	-69.1	0	0	0	107.6	A4	H2-A4 PolarHBondContact O-N 3.29Å
3	R	34.4	Very low	53	Low	237 Å²	237	141.6 Å²	141.6	89%	0.894	72%	0.715	S	S	*	*			trans	-50.1	119.1	167.8	-78.7	-177.5	175.8	179.1	-1.4	106.2	M1 R5	M1-R3 PolarHBondContact O-N 3.12Å; M1-R3 VanDerWaalsContact O-N 3.1Å; R3-R5 PolarHBondContact O-N 2.77Å
4	A	37.1	Very low	55.8	Low	97 Å²	97	136.5 Å²	136.5	80%	0.802	70%	0.696	S	S	*	*			trans	-46.5	110.5	170.7	0	0	0	0	0	106.3	H2 D6	H2-A4 PolarHBondContact O-N 3.29Å; A4-D6 PolarHBondContact O-N 3.24Å; A4-D6 VanDerWaalsContact O-N 3.13Å
5	R	43.9	Very low	58.3	Low	224 Å²	224	132.9 Å²	132.9	85%	0.845	68%	0.684	S	S	*	*			trans	-55.8	125.3	174.1	-76.1	179.3	175.4	176	-1.8	104.8	R3 V7	R3-R5 PolarHBondContact O-N 2.77Å; R5-V7 WeakPolarHBondContact O-CG2 3.46Å; R5-V7 PolarHBondContact O-N 3.46Å
6	D	43.9	Very low	60.5	Low	110 Å²	110	128 Å²	128	59%	0.588	68%	0.676	S	S	*	*			trans	-55.4	84.7	171.3	-111.7	-57.6	0	0	0	108.3	A4 G8 R24	A4-D6 PolarHBondContact O-N 3.24Å; A4-D6 VanDerWaalsContact O-N 3.13Å; D6-G8 PolarHBondContact O-N 3.36Å; D6-R24 VanDerWaalsContact CG-NH1 3.33Å; D6-R24 IonicContact OD1-CZ 2.69Å; D6-R24 IonicContact OD1-NH1 2.72Å; D6-R24 PolarHBondContact OD1-NH1 3.2Å; D6-R24 IonicContact OD1-NH2 2.9Å; D6-R24 PolarHBondContact OD1-NH2 3.47Å
7	V	41.4	Very low	62.4	Low	140 Å²	140	121.9 Å²	121.9	85%	0.848	65%	0.648	S	S	*	*			trans	-80.4	35.9	-177.4	-155.2	0	0	0	0	111	R5	R5-V7 WeakPolarHBondContact O-CG2 3.46Å; R5-V7 PolarHBondContact O-N 3.46Å
8	G	46.9	Very low	64.1	Low	37 Å²	37	118.2 Å²	118.2	38%	0.381	63%	0.632	S	S	.	*	S	Bend	trans	-73.5	133.5	164.3	0	0	0	0	0	108.2	D6 L10	D6-G8 PolarHBondContact O-N 3.36Å; G8-L10 PolarHBondContact O-N 3.43Å
9	L	55.4	Low	65.7	Low	163 Å²	163	112 Å²	112	85%	0.853	60%	0.599	S	S	*	*			trans	-44.2	127	168.9	-80.4	151.8	0	0	0	109	I11	L9-I11 VanDerWaalsContact C-N 3.29Å; L9-I11 PolarHBondContact O-N 3.49Å
10	L	71.1	Confident	67.1	Low	121 Å²	121	106.7 Å²	106.7	63%	0.634	57%	0.571	S	S	*	*			trans	-68.7	90.3	175.9	-74.5	170.2	0	0	0	107.8	G8 E12 R24	G8-L10 PolarHBondContact O-N 3.43Å; L10-E12 PolarHBondContact O-N 2.82Å; L10-R24 HydrophobicContact CD2-CB 3.89Å
11	I	78.3	Confident	68.4	Low	106 Å²	106	101.6 Å²	101.6	54%	0.544	54%	0.544	S	S	.	.	P	Polyproline II helix	trans	-66.9	116.9	177.5	-53.4	175.3	0	0	0	107.7	L9 F23 S25	L9-I11 VanDerWaalsContact C-N 3.29Å; L9-I11 PolarHBondContact O-N 3.49Å; I11-F23 HydrophobicContact CB-CD1 4.34Å; I11-F23 HydrophobicContact CG2-CD1 3.73Å; I11-F23 HydrophobicContact CG2-CE1 4.06Å; I11-F23 WeakPolarHBondContact O-CB 3.45Å; I11-S25 PolarHBondContact O-OG 3.45Å; I11-S25 VanDerWaalsContact O-OG 3.12Å
12	E	85.1	Confident	71.3	Confident	151 Å²	151	94.6 Å²	94.6	71%	0.706	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-72.1	150.3	171.1	-65.2	-174.9	170.5	0	0	111.3	L10 P14 S25	L10-E12 PolarHBondContact O-N 2.82Å; E12-P14 VanDerWaalsContact O-CD 3.31Å; E12-P14 WeakPolarHBondContact O-CD 3.42Å; E12-S25 VanDerWaalsContact CA-OG 3.31Å; E12-S25 WeakPolarHBondContact CA-OG 3.23Å
13	T	89.4	Confident	74.2	Confident	15 Å²	15	86 Å²	86	9%	0.092	47%	0.467	C	S	.	.	P	Polyproline II helix	trans	-66.4	122.9	171.8	-52.8	0	0	0	0	108.4	A17 L19 F23 N408	T13-A17 HydrophobicContact CG2-CB 4.22Å; T13-L19 HydrophobicContact CG2-CD2 4.11Å; T13-F23 HydrophobicContact CG2-CD2 3.78Å; T13-F23 HydrophobicContact CG2-CE2 3.77Å; T13-F23 WeakPolarHBondContact OG1-CD2 3.45Å; T13-N408 HydrophobicContact CG2-CB 3.73Å; T13-N408 PolarHBondContact O-ND2 3.34Å
14	P	92.1	Very high	76.9	Confident	70 Å²	70	78.9 Å²	78.9	46%	0.455	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-61.7	145.8	175.4	-22.5	33.8	0	0	0	111.9	E12 G16 A17 F23 N408	E12-P14 VanDerWaalsContact O-CD 3.31Å; E12-P14 WeakPolarHBondContact O-CD 3.42Å; P14-G16 PolarHBondContact O-N 3.26Å; P14-A17 HydrophobicContact CB-CB 4.22Å; P14-A17 HydrophobicContact CG-CB 4.48Å; P14-A17 WeakPolarHBondContact O-CB 3.45Å; P14-A17 PolarHBondContact O-N 3.1Å; P14-A17 VanDerWaalsContact O-N 3.12Å; P14-F23 HydrophobicContact CG-CE1 4.37Å; P14-F23 HydrophobicContact CG-CZ 4.26Å; P14-N408 PolarHBondContact O-ND2 3.04Å
15	T	92.7	Very high	79.2	Confident	82 Å²	82	76.8 Å²	76.8	50%	0.503	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	137.2	168.8	-54.9	0	0	0	0	109.9	A17 N408 E410	T15-A17 VanDerWaalsContact C-N 3.27Å; T15-A17 PolarHBondContact O-N 3.46Å; T15-N408 CarbonylContact C-O 3.46Å; T15-N408 WeakPolarHBondContact CA-O 3.48Å; T15-E410 WeakPolarHBondContact CB-OE1 3.43Å; T15-E410 HydrophobicContact CG2-CG 3.89Å; T15-E410 WeakPolarHBondContact CG2-OE1 3.36Å; T15-E410 PolarHBondContact OG1-OE1 2.88Å
16	G	93.4	Very high	81.3	Confident	55 Å²	55	66.2 Å²	66.2	57%	0.567	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.4	-6.7	-175.7	0	0	0	0	0	114.6	P14 N408	P14-G16 PolarHBondContact O-N 3.26Å; G16-N408 PolarHBondContact N-O 3.05Å
17	A	92.7	Very high	83.6	Confident	24 Å²	24	62.1 Å²	62.1	20%	0.198	36%	0.357	C	S	.	.	S	Bend	trans	-92.3	146.6	177.6	0	0	0	0	0	111.7	T13 P14 T15 L19 N408	T13-A17 HydrophobicContact CG2-CB 4.22Å; P14-A17 HydrophobicContact CB-CB 4.22Å; P14-A17 HydrophobicContact CG-CB 4.48Å; P14-A17 WeakPolarHBondContact O-CB 3.45Å; P14-A17 PolarHBondContact O-N 3.1Å; P14-A17 VanDerWaalsContact O-N 3.12Å; T15-A17 VanDerWaalsContact C-N 3.27Å; T15-A17 PolarHBondContact O-N 3.46Å; A17-L19 PolarHBondContact O-N 3.11Å; A17-N408 PolarHBondContact O-N 3.33Å
18	P	93.7	Very high	86.2	Confident	55 Å²	55	55.4 Å²	55.4	36%	0.357	32%	0.316	S	S	.	.	B	Isolated β-bridge	trans	-59.5	137.1	167.5	-21.2	32.3	0	0	0	111.3	C20 P126 D406	P18-C20 PolarHBondContact O-N 3.1Å; P18-P126 HydrophobicContact CB-CB 3.94Å; P18-P126 HydrophobicContact CB-CG 4.2Å; P18-D406 CarbonylContact C-O 3.54Å; P18-D406 WeakPolarHBondContact CA-O 3.33Å
19	L	94.8	Very high	88.4	Confident	1 Å²	1	55.2 Å²	55.2	1%	0.005	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-55	135.9	167.7	-65.2	176.8	0	0	0	108.7	T13 A17 W127 D406 N408 L437	T13-L19 HydrophobicContact CG2-CD2 4.11Å; A17-L19 PolarHBondContact O-N 3.11Å; L19-W127 HydrophobicContact CB-CB 4.2Å; L19-W127 HydrophobicContact CB-CE3 4.04Å; L19-W127 HydrophobicContact CD1-CE3 3.8Å; L19-W127 HydrophobicContact CD1-CZ3 3.99Å; L19-W127 VanDerWaalsContact O-CB 3.29Å; L19-W127 WeakPolarHBondContact O-CB 3.35Å; L19-W127 PolarHBondContact O-N 3.35Å; L19-D406 HydrophobicContact CB-CB 4.36Å; L19-D406 HydrophobicContact CD1-CB 4.38Å; L19-D406 WeakPolarHBondContact CG-O 2.94Å; L19-D406 PolarHBondContact N-O 3.15Å; L19-N408 HydrophobicContact CD2-CB 4.17Å; L19-L437 HydrophobicContact CD1-CB 4.17Å
20	C	93.9	Very high	90.2	Very high	5 Å²	5	49.1 Å²	49.1	3%	0.034	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-156.4	139	-169.1	-177.8	0	0	0	0	110.1	P18 K22 F23 S26 F123 T124 C125	P18-C20 PolarHBondContact O-N 3.1Å; C20-K22 HydrophobicContact CB-CG 4.18Å; C20-K22 PolarHBondContact O-N 3.34Å; C20-K22 VanDerWaalsContact O-N 3.11Å; C20-F23 HydrophobicContact CB-CD2 3.84Å; C20-F23 HydrophobicContact CB-CE2 3.93Å; C20-F23 WeakPolarHBondContact O-CD2 3.5Å; C20-F23 PolarHBondContact O-N 3.1Å; C20-S26 PolarHBondContact O-OG 3.37Å; C20-F123 PolarHBondContact SG-O 3.47Å; C20-T124 VanDerWaalsContact SG-C 3.51Å; C20-T124 PolarHBondContact SG-O 2.85Å; C20-C125 PolarHBondContact SG-O 3.17Å
21	A	94.8	Very high	91.4	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.008	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-14.4	-177.4	0	0	0	0	0	113.6	F23 A28 Y29 V32 F123	A21-F23 PolarHBondContact O-N 3.37Å; A21-A28 HydrophobicContact CB-CB 4.48Å; A21-Y29 WeakPolarHBondContact O-CD2 3.45Å; A21-V32 HydrophobicContact CB-CB 3.74Å; A21-V32 HydrophobicContact CB-CG1 4.23Å; A21-V32 HydrophobicContact CB-CG2 3.65Å; A21-F123 CarbonylContact C-O 3.53Å; A21-F123 HydrophobicContact CB-CB 4.39Å; A21-F123 HydrophobicContact CB-CD1 3.85Å; A21-F123 HydrophobicContact CB-CE1 4.39Å; A21-F123 HydrophobicContact CB-CG 4.2Å
22	K	91.7	Very high	92.3	Very high	92 Å²	92	38.4 Å²	38.4	40%	0.4	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-25.6	170.8	74.4	-169.6	-179.5	-176.9	0	113	C20 R24 F123	C20-K22 HydrophobicContact CB-CG 4.18Å; C20-K22 PolarHBondContact O-N 3.34Å; C20-K22 VanDerWaalsContact O-N 3.11Å; K22-R24 PolarHBondContact O-N 3.29Å; K22-F123 WeakPolarHBondContact CB-O 3.37Å; K22-F123 PolarHBondContact N-O 3.37Å
23	F	92.3	Very high	92.8	Very high	19 Å²	19	35.3 Å²	35.3	8%	0.083	20%	0.202	C	C	.	.	S	Bend	trans	-85.9	102.2	177.6	-58	-59.8	0	0	0	109.8	I11 T13 P14 C20 A21 S25 S26 Y29	I11-F23 HydrophobicContact CB-CD1 4.34Å; I11-F23 HydrophobicContact CG2-CD1 3.73Å; I11-F23 HydrophobicContact CG2-CE1 4.06Å; I11-F23 WeakPolarHBondContact O-CB 3.45Å; T13-F23 HydrophobicContact CG2-CD2 3.78Å; T13-F23 HydrophobicContact CG2-CE2 3.77Å; T13-F23 WeakPolarHBondContact OG1-CD2 3.45Å; P14-F23 HydrophobicContact CG-CE1 4.37Å; P14-F23 HydrophobicContact CG-CZ 4.26Å; C20-F23 HydrophobicContact CB-CD2 3.84Å; C20-F23 HydrophobicContact CB-CE2 3.93Å; C20-F23 WeakPolarHBondContact O-CD2 3.5Å; C20-F23 PolarHBondContact O-N 3.1Å; A21-F23 PolarHBondContact O-N 3.37Å; F23-S25 PolarHBondContact O-N 3.08Å; F23-S26 WeakPolarHBondContact O-CB 3.49Å; F23-S26 PolarHBondContact O-N 3.16Å; F23-S26 PolarHBondContact O-OG 2.94Å; F23-Y29 WeakPolarHBondContact O-CB 3.47Å
24	R	89.8	Confident	93.1	Very high	89 Å²	89	38.5 Å²	38.5	34%	0.336	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-20.7	-169.7	-68.3	-176.4	175.9	-161.3	-5.1	114.7	D6 L10 K22 Y29	D6-R24 VanDerWaalsContact CG-NH1 3.33Å; D6-R24 IonicContact OD1-CZ 2.69Å; D6-R24 IonicContact OD1-NH1 2.72Å; D6-R24 PolarHBondContact OD1-NH1 3.2Å; D6-R24 IonicContact OD1-NH2 2.9Å; D6-R24 PolarHBondContact OD1-NH2 3.47Å; L10-R24 HydrophobicContact CD2-CB 3.89Å; K22-R24 PolarHBondContact O-N 3.29Å; R24-Y29 HydrophobicContact CG-CD2 4.27Å; R24-Y29 HydrophobicContact CG-CE2 4Å
25	S	86	Confident	93.3	Very high	52 Å²	52	39.7 Å²	39.7	36%	0.364	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-17.4	173.5	52.7	0	0	0	0	113.5	I11 E12 F23	I11-S25 PolarHBondContact O-OG 3.45Å; I11-S25 VanDerWaalsContact O-OG 3.12Å; E12-S25 VanDerWaalsContact CA-OG 3.31Å; E12-S25 WeakPolarHBondContact CA-OG 3.23Å; F23-S25 PolarHBondContact O-N 3.08Å
26	S	89.3	Confident	93.5	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.014	19%	0.19	C	C	.	.	S	Bend	trans	-72.4	153.7	-177.2	72.7	0	0	0	0	112.6	C20 F23 A28 Y29 D436	C20-S26 PolarHBondContact O-OG 3.37Å; F23-S26 WeakPolarHBondContact O-CB 3.49Å; F23-S26 PolarHBondContact O-N 3.16Å; F23-S26 PolarHBondContact O-OG 2.94Å; S26-A28 PolarHBondContact O-N 3.07Å; S26-Y29 WeakPolarHBondContact O-CB 3.42Å; S26-Y29 PolarHBondContact O-N 3.09Å; S26-Y29 PolarHBondContact OG-N 3.39Å; S26-D436 VanDerWaalsContact CA-OD2 3.26Å; S26-D436 WeakPolarHBondContact CA-OD2 3.34Å
27	F	91.8	Very high	93.7	Very high	24 Å²	24	34.2 Å²	34.2	11%	0.105	17%	0.17	C	C	.	.	H	α-helix	trans	-69.7	-22.2	171.8	-171.3	-134	0	0	0	112.7	Y29 V30 T31 R35 W127 K434 D436 L467	F27-Y29 VanDerWaalsContact C-N 3.29Å; F27-Y29 PolarHBondContact O-N 3.03Å; F27-V30 HydrophobicContact CD2-CB 4Å; F27-V30 HydrophobicContact CD2-CG1 4.34Å; F27-V30 HydrophobicContact CE2-CB 4.4Å; F27-V30 HydrophobicContact CE2-CG1 4.27Å; F27-V30 PolarHBondContact O-N 2.79Å; F27-T31 WeakPolarHBondContact O-CB 3.25Å; F27-T31 PolarHBondContact O-N 3.24Å; F27-T31 PolarHBondContact O-OG1 2.84Å; F27-R35 VanDerWaalsContact CE1-NH1 3.31Å; F27-W127 AromaticContact CD1-CH2 3.48Å; F27-W127 HydrophobicContact CD1-CH2 3.48Å; F27-W127 VanDerWaalsContact CD1-CH2 3.48Å; F27-W127 AromaticContact CD1-CZ2 3.97Å; F27-W127 HydrophobicContact CD1-CZ2 3.97Å; F27-W127 HydrophobicContact CD1-CZ3 4.36Å; F27-W127 HydrophobicContact CE1-CH2 4.13Å; F27-W127 HydrophobicContact CE1-CZ2 4.38Å; F27-W127 HydrophobicContact CG-CH2 4.35Å; F27-K434 VanDerWaalsContact CE1-O 3.24Å; F27-K434 WeakPolarHBondContact CE1-O 3.32Å; F27-D436 HydrophobicContact CB-CB 4.49Å; F27-D436 WeakPolarHBondContact CB-OD1 3.48Å; F27-D436 PolarHBondContact N-OD2 3.2Å; F27-L467 HydrophobicContact CB-CD1 3.89Å; F27-L467 HydrophobicContact CB-CD2 3.67Å; F27-L467 HydrophobicContact CB-CG 4.48Å; F27-L467 HydrophobicContact CD1-CD2 3.72Å; F27-L467 HydrophobicContact CD2-CD1 3.56Å; F27-L467 HydrophobicContact CD2-CD2 4.16Å; F27-L467 HydrophobicContact CD2-CG 4.39Å; F27-L467 HydrophobicContact CE1-CD2 4.34Å; F27-L467 HydrophobicContact CE2-CD1 4.17Å; F27-L467 HydrophobicContact CG-CD1 3.79Å; F27-L467 HydrophobicContact CG-CD2 3.6Å; F27-L467 HydrophobicContact CG-CG 4.3Å
28	A	94.6	Very high	93.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-56.4	-43.1	169.3	0	0	0	0	0	111.7	A21 S26 T31 V32 W127	A21-A28 HydrophobicContact CB-CB 4.48Å; S26-A28 PolarHBondContact O-N 3.07Å; A28-T31 PolarHBondContact O-N 3.32Å; A28-V32 WeakPolarHBondContact O-CG2 3.46Å; A28-V32 PolarHBondContact O-N 3.34Å; A28-W127 HydrophobicContact CB-CB 3.64Å; A28-W127 HydrophobicContact CB-CD2 3.53Å; A28-W127 HydrophobicContact CB-CE3 3.95Å; A28-W127 HydrophobicContact CB-CG 3.37Å
29	Y	94.8	Very high	94	Very high	33 Å²	33	35.4 Å²	35.4	13%	0.129	17%	0.173	C	C	.	.	H	α-helix	trans	-60.6	-49.6	177.2	176.7	-104	0	0	0	111.8	A21 F23 R24 S26 F27 T31 V32 K33 F123	A21-Y29 WeakPolarHBondContact O-CD2 3.45Å; F23-Y29 WeakPolarHBondContact O-CB 3.47Å; R24-Y29 HydrophobicContact CG-CD2 4.27Å; R24-Y29 HydrophobicContact CG-CE2 4Å; S26-Y29 WeakPolarHBondContact O-CB 3.42Å; S26-Y29 PolarHBondContact O-N 3.09Å; S26-Y29 PolarHBondContact OG-N 3.39Å; F27-Y29 VanDerWaalsContact C-N 3.29Å; F27-Y29 PolarHBondContact O-N 3.03Å; Y29-T31 VanDerWaalsContact C-N 3.27Å; Y29-T31 PolarHBondContact O-N 3.44Å; Y29-V32 PolarHBondContact O-N 3.2Å; Y29-K33 HydrophobicContact CD1-CD 4.43Å; Y29-K33 HydrophobicContact CE1-CD 3.62Å; Y29-K33 HydrophobicContact CE2-CD 4.07Å; Y29-K33 VanDerWaalsContact CZ-CD 3.43Å; Y29-K33 WeakPolarHBondContact O-CB 3.47Å; Y29-K33 PolarHBondContact O-N 2.87Å; Y29-K33 WeakPolarHBondContact OH-CD 3.45Å; Y29-K33 PolarHBondContact OH-NZ 3.13Å; Y29-F123 HydrophobicContact CD2-CD1 4.06Å; Y29-F123 AromaticContact CD2-CE1 3.65Å; Y29-F123 HydrophobicContact CD2-CE1 3.65Å; Y29-F123 HydrophobicContact CE2-CD1 4.26Å; Y29-F123 AromaticContact CE2-CE1 3.68Å; Y29-F123 HydrophobicContact CE2-CE1 3.68Å
30	V	93.3	Very high	94.1	Very high	34 Å²	34	35.4 Å²	35.4	21%	0.206	17%	0.172	C	C	.	.	H	α-helix	trans	-61.1	-40.6	178	179.8	0	0	0	0	110.7	F27 D34 R35	F27-V30 HydrophobicContact CD2-CB 4Å; F27-V30 HydrophobicContact CD2-CG1 4.34Å; F27-V30 HydrophobicContact CE2-CB 4.4Å; F27-V30 HydrophobicContact CE2-CG1 4.27Å; F27-V30 PolarHBondContact O-N 2.79Å; V30-D34 WeakPolarHBondContact O-CA 3.48Å; V30-D34 WeakPolarHBondContact O-CB 3.38Å; V30-D34 PolarHBondContact O-N 3.43Å; V30-R35 PolarHBondContact O-N 2.88Å
31	T	95.4	Very high	94.2	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.184	C	C	.	.	I	π-helix	trans	-64.2	-53.6	179.8	-63.4	0	0	0	0	111.3	F27 A28 Y29 R35 L36 W127 E131	F27-T31 WeakPolarHBondContact O-CB 3.25Å; F27-T31 PolarHBondContact O-N 3.24Å; F27-T31 PolarHBondContact O-OG1 2.84Å; A28-T31 PolarHBondContact O-N 3.32Å; Y29-T31 VanDerWaalsContact C-N 3.27Å; Y29-T31 PolarHBondContact O-N 3.44Å; T31-R35 HydrophobicContact CG2-CB 4.47Å; T31-R35 WeakPolarHBondContact O-CB 3.42Å; T31-R35 PolarHBondContact O-N 2.74Å; T31-R35 VanDerWaalsContact O-N 3.11Å; T31-R35 PolarHBondContact OG1-NH1 3.01Å; T31-L36 HydrophobicContact CG2-CD2 4.19Å; T31-L36 HydrophobicContact CG2-CG 4.15Å; T31-L36 WeakPolarHBondContact O-CG 3.38Å; T31-L36 PolarHBondContact O-N 3.2Å; T31-W127 HydrophobicContact CG2-CZ2 4.1Å; T31-W127 WeakPolarHBondContact OG1-CZ2 3.44Å; T31-E131 HydrophobicContact CG2-CG 4.48Å; T31-E131 WeakPolarHBondContact CG2-OE1 3.18Å
32	V	96.9	Very high	94.2	Very high	2 Å²	2	42 Å²	42	1%	0.012	20%	0.204	C	C	.	.	I	π-helix	trans	-66.7	-42.8	-178.1	175.9	0	0	0	0	111.9	A21 A28 Y29 L36 P37 L80 W122 F123	A21-V32 HydrophobicContact CB-CB 3.74Å; A21-V32 HydrophobicContact CB-CG1 4.23Å; A21-V32 HydrophobicContact CB-CG2 3.65Å; A28-V32 WeakPolarHBondContact O-CG2 3.46Å; A28-V32 PolarHBondContact O-N 3.34Å; Y29-V32 PolarHBondContact O-N 3.2Å; V32-L36 HydrophobicContact CG2-CD1 4.33Å; V32-P37 WeakPolarHBondContact O-CD 3.4Å; V32-L80 HydrophobicContact CG1-CD1 3.89Å; V32-W122 HydrophobicContact CG1-CB 3.99Å; V32-F123 HydrophobicContact CG1-CD2 3.88Å; V32-F123 HydrophobicContact CG1-CE1 4.47Å; V32-F123 HydrophobicContact CG1-CE2 3.61Å; V32-F123 HydrophobicContact CG1-CG 4.46Å; V32-F123 HydrophobicContact CG1-CZ 3.94Å
33	K	96.4	Very high	94.4	Very high	87 Å²	87	37.7 Å²	37.7	38%	0.378	19%	0.186	S	C	.	.	I	π-helix	trans	-74.7	-44	-176	-174.6	-175.7	175.3	-179.7	0	113.3	Y29 P37 F123	Y29-K33 HydrophobicContact CD1-CD 4.43Å; Y29-K33 HydrophobicContact CE1-CD 3.62Å; Y29-K33 HydrophobicContact CE2-CD 4.07Å; Y29-K33 VanDerWaalsContact CZ-CD 3.43Å; Y29-K33 WeakPolarHBondContact O-CB 3.47Å; Y29-K33 PolarHBondContact O-N 2.87Å; Y29-K33 WeakPolarHBondContact OH-CD 3.45Å; Y29-K33 PolarHBondContact OH-NZ 3.13Å; K33-P37 WeakPolarHBondContact O-CG 3.47Å; K33-F123 HydrophobicContact CB-CE1 4.28Å; K33-F123 HydrophobicContact CB-CZ 3.99Å; K33-F123 HydrophobicContact CG-CZ 4.47Å
34	D	94.7	Very high	94.6	Very high	81 Å²	81	37.7 Å²	37.7	43%	0.433	19%	0.186	S	C	.	.	I	π-helix	trans	-113.5	-46.2	-166.2	-55.2	-44.5	0	0	0	111.9	V30 V38	V30-D34 WeakPolarHBondContact O-CA 3.48Å; V30-D34 WeakPolarHBondContact O-CB 3.38Å; V30-D34 PolarHBondContact O-N 3.43Å; D34-V38 VanDerWaalsContact O-CG2 3.3Å; D34-V38 WeakPolarHBondContact O-CG2 3.47Å
35	R	95.8	Very high	94.9	Very high	95 Å²	95	37.4 Å²	37.4	36%	0.358	19%	0.191	S	C	.	.	I	π-helix	trans	-76.2	-49.4	-173.3	-59.9	175.4	66.1	-151.8	3.4	113.1	F27 V30 T31 V38 I39	F27-R35 VanDerWaalsContact CE1-NH1 3.31Å; V30-R35 PolarHBondContact O-N 2.88Å; T31-R35 HydrophobicContact CG2-CB 4.47Å; T31-R35 WeakPolarHBondContact O-CB 3.42Å; T31-R35 PolarHBondContact O-N 2.74Å; T31-R35 VanDerWaalsContact O-N 3.11Å; T31-R35 PolarHBondContact OG1-NH1 3.01Å; R35-V38 PolarHBondContact O-N 3.47Å; R35-I39 WeakPolarHBondContact O-CG1 3.38Å; R35-I39 PolarHBondContact O-N 3.43Å
36	L	97.9	Very high	95.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-60.3	-42.3	-176.6	-64.2	-172.1	0	0	0	113	T31 V32 V38 I39 L40 L80 E131 F134	T31-L36 HydrophobicContact CG2-CD2 4.19Å; T31-L36 HydrophobicContact CG2-CG 4.15Å; T31-L36 WeakPolarHBondContact O-CG 3.38Å; T31-L36 PolarHBondContact O-N 3.2Å; V32-L36 HydrophobicContact CG2-CD1 4.33Å; L36-V38 VanDerWaalsContact C-N 3.32Å; L36-V38 PolarHBondContact O-N 2.96Å; L36-I39 HydrophobicContact CD2-CD1 4.39Å; L36-I39 PolarHBondContact O-N 3.36Å; L36-L40 WeakPolarHBondContact O-CB 3.43Å; L36-L40 PolarHBondContact O-N 3.43Å; L36-L80 HydrophobicContact CB-CD1 4.49Å; L36-L80 HydrophobicContact CB-CD2 3.66Å; L36-L80 HydrophobicContact CD1-CD1 4.34Å; L36-E131 HydrophobicContact CD2-CG 4.3Å; L36-F134 HydrophobicContact CB-CD2 4.11Å; L36-F134 HydrophobicContact CB-CE2 3.93Å; L36-F134 HydrophobicContact CB-CZ 4.23Å; L36-F134 HydrophobicContact CD1-CB 4.09Å; L36-F134 HydrophobicContact CD1-CD2 4.15Å; L36-F134 HydrophobicContact CD1-CG 4.08Å; L36-F134 HydrophobicContact CD2-CD1 3.78Å; L36-F134 HydrophobicContact CD2-CD2 4.41Å; L36-F134 HydrophobicContact CD2-CE1 3.95Å; L36-F134 HydrophobicContact CD2-CG 4.02Å; L36-F134 HydrophobicContact CD2-CZ 4.33Å; L36-F134 HydrophobicContact CG-CD2 4.45Å; L36-F134 HydrophobicContact CG-CG 4.44Å; L36-F134 VanDerWaalsContact O-CZ 3.31Å; L36-F134 WeakPolarHBondContact O-CZ 3.47Å
37	P	97.5	Very high	95.3	Very high	22 Å²	22	35.5 Å²	35.5	14%	0.143	18%	0.177	C	C	.	.	H	α-helix	trans	-63.2	-35.2	175.3	-25.8	37.2	0	0	0	114	V32 K33 T41 L80	V32-P37 WeakPolarHBondContact O-CD 3.4Å; K33-P37 WeakPolarHBondContact O-CG 3.47Å; P37-T41 WeakPolarHBondContact O-CB 3.3Å; P37-T41 PolarHBondContact O-N 3.02Å; P37-T41 PolarHBondContact O-OG1 3.14Å; P37-L80 HydrophobicContact CG-CD2 3.85Å; P37-L80 HydrophobicContact CG-CG 4.36Å
38	V	96.2	Very high	95.4	Very high	81 Å²	81	39.2 Å²	39.2	49%	0.491	20%	0.195	S	C	.	.	H	α-helix	trans	-67.6	-46.7	176.1	171.6	0	0	0	0	110.4	D34 R35 L36 L40 T41 K42	D34-V38 VanDerWaalsContact O-CG2 3.3Å; D34-V38 WeakPolarHBondContact O-CG2 3.47Å; R35-V38 PolarHBondContact O-N 3.47Å; L36-V38 VanDerWaalsContact C-N 3.32Å; L36-V38 PolarHBondContact O-N 2.96Å; V38-L40 VanDerWaalsContact C-N 3.32Å; V38-L40 PolarHBondContact O-N 2.86Å; V38-T41 PolarHBondContact O-N 3.44Å; V38-K42 WeakPolarHBondContact O-CG 3.45Å; V38-K42 PolarHBondContact O-N 3.49Å
39	I	95.9	Very high	95.2	Very high	24 Å²	24	46.5 Å²	46.5	12%	0.123	22%	0.222	C	C	.	.	H	α-helix	trans	-58.1	-47.8	176.4	-67.1	167.1	0	0	0	110	R35 L36 T41 K42 V43 F134 Y135 F168 V319	R35-I39 WeakPolarHBondContact O-CG1 3.38Å; R35-I39 PolarHBondContact O-N 3.43Å; L36-I39 HydrophobicContact CD2-CD1 4.39Å; L36-I39 PolarHBondContact O-N 3.36Å; I39-T41 VanDerWaalsContact C-N 3.3Å; I39-T41 PolarHBondContact O-N 3.03Å; I39-K42 WeakPolarHBondContact O-CB 3.45Å; I39-K42 PolarHBondContact O-N 3.29Å; I39-K42 VanDerWaalsContact O-N 3.15Å; I39-V43 WeakPolarHBondContact O-CG2 3.46Å; I39-V43 PolarHBondContact O-N 3.15Å; I39-F134 HydrophobicContact CB-CE1 4.34Å; I39-F134 HydrophobicContact CB-CZ 4.22Å; I39-F134 HydrophobicContact CG2-CE1 3.84Å; I39-F134 HydrophobicContact CG2-CZ 4.06Å; I39-Y135 HydrophobicContact CG2-CE1 4.37Å; I39-F168 HydrophobicContact CG2-CE1 4.24Å; I39-V319 HydrophobicContact CD1-CG2 4.14Å; I39-V319 HydrophobicContact CG1-CG2 4.24Å; I39-V319 HydrophobicContact CG2-CG2 3.88Å
40	L	96.6	Very high	94.8	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-63.2	-37	-179.2	-168.9	52.2	0	0	0	112.5	L36 V38 V43 I44 L73 L76 R77 F134 I138	L36-L40 WeakPolarHBondContact O-CB 3.43Å; L36-L40 PolarHBondContact O-N 3.43Å; V38-L40 VanDerWaalsContact C-N 3.32Å; V38-L40 PolarHBondContact O-N 2.86Å; L40-V43 PolarHBondContact O-N 3.36Å; L40-I44 HydrophobicContact CG-CD1 4.47Å; L40-I44 WeakPolarHBondContact O-CG1 3.27Å; L40-I44 PolarHBondContact O-N 3.5Å; L40-L73 HydrophobicContact CD1-CB 4.21Å; L40-L73 HydrophobicContact CD1-CD2 3.82Å; L40-L76 HydrophobicContact CD1-CD2 4.16Å; L40-L76 HydrophobicContact CD2-CB 4.11Å; L40-L76 HydrophobicContact CD2-CD2 4.08Å; L40-L76 HydrophobicContact CD2-CG 3.91Å; L40-R77 VanDerWaalsContact CD2-CA 3.45Å; L40-R77 HydrophobicContact CD2-CB 3.53Å; L40-R77 HydrophobicContact CD2-CG 4.15Å; L40-R77 HydrophobicContact CG-CB 4.24Å; L40-F134 HydrophobicContact CB-CE2 3.85Å; L40-F134 HydrophobicContact CB-CZ 3.8Å; L40-F134 HydrophobicContact CD1-CE2 4.39Å; L40-F134 HydrophobicContact CD1-CZ 4.42Å; L40-F134 HydrophobicContact CD2-CE2 4Å; L40-F134 HydrophobicContact CG-CE2 4.32Å; L40-I138 HydrophobicContact CD1-CD1 4.09Å; L40-I138 HydrophobicContact CD1-CG1 3.94Å
41	T	96.6	Very high	94.6	Very high	44 Å²	44	48.8 Å²	48.8	27%	0.27	23%	0.229	S	C	.	.	H	α-helix	trans	-63.9	-45	174.5	-58.4	0	0	0	0	110.9	P37 V38 I39 V43 I44 D45 R77	P37-T41 WeakPolarHBondContact O-CB 3.3Å; P37-T41 PolarHBondContact O-N 3.02Å; P37-T41 PolarHBondContact O-OG1 3.14Å; V38-T41 PolarHBondContact O-N 3.44Å; I39-T41 VanDerWaalsContact C-N 3.3Å; I39-T41 PolarHBondContact O-N 3.03Å; T41-V43 VanDerWaalsContact C-N 3.28Å; T41-V43 PolarHBondContact O-N 2.87Å; T41-I44 WeakPolarHBondContact O-CB 3.45Å; T41-I44 PolarHBondContact O-N 3.35Å; T41-I44 VanDerWaalsContact O-N 3.16Å; T41-D45 VanDerWaalsContact O-CG 3.29Å; T41-D45 PolarHBondContact O-N 3.47Å; T41-R77 PolarHBondContact OG1-NH1 3.03Å
42	K	95.9	Very high	94.2	Very high	102 Å²	102	55.1 Å²	55.1	44%	0.443	26%	0.258	S	S	.	.	H	α-helix	trans	-60.2	-36.5	174.3	-69.5	178.7	177.6	-177.8	0	112.7	V38 I39 T46	V38-K42 WeakPolarHBondContact O-CG 3.45Å; V38-K42 PolarHBondContact O-N 3.49Å; I39-K42 WeakPolarHBondContact O-CB 3.45Å; I39-K42 PolarHBondContact O-N 3.29Å; I39-K42 VanDerWaalsContact O-N 3.15Å; K42-T46 WeakPolarHBondContact O-CB 2.99Å; K42-T46 PolarHBondContact O-N 3.35Å; K42-T46 PolarHBondContact O-OG1 2.96Å
43	V	95.7	Very high	93.7	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.006	28%	0.279	C	S	.	.	H	α-helix	trans	-65.2	-46.4	174.9	172.8	0	0	0	0	110.7	I39 L40 T41 D45 T46 V47 L73 I138 P167 F168	I39-V43 WeakPolarHBondContact O-CG2 3.46Å; I39-V43 PolarHBondContact O-N 3.15Å; L40-V43 PolarHBondContact O-N 3.36Å; T41-V43 VanDerWaalsContact C-N 3.28Å; T41-V43 PolarHBondContact O-N 2.87Å; V43-D45 VanDerWaalsContact C-N 3.33Å; V43-D45 PolarHBondContact O-N 3.08Å; V43-T46 PolarHBondContact O-N 3.01Å; V43-T46 VanDerWaalsContact O-N 3.14Å; V43-V47 HydrophobicContact CG1-CG2 4.45Å; V43-V47 WeakPolarHBondContact O-CG2 3.38Å; V43-V47 PolarHBondContact O-N 2.99Å; V43-L73 HydrophobicContact CG1-CD1 3.84Å; V43-I138 HydrophobicContact CG1-CG2 4.08Å; V43-I138 HydrophobicContact CG2-CD1 4.35Å; V43-P167 HydrophobicContact CG1-CB 3.87Å; V43-P167 HydrophobicContact CG1-CG 4.31Å; V43-P167 HydrophobicContact CG2-CB 4.45Å; V43-F168 HydrophobicContact CG2-CD1 4.32Å; V43-F168 HydrophobicContact CG2-CE1 3.39Å; V43-F168 HydrophobicContact CG2-CZ 3.8Å
44	I	95.8	Very high	93.2	Very high	19 Å²	19	54.2 Å²	54.2	10%	0.097	26%	0.263	C	S	.	.	H	α-helix	trans	-57.5	-46.5	175.9	-69.7	165	0	0	0	110.7	L40 T41 T46 V47 H48 I70 L73	L40-I44 HydrophobicContact CG-CD1 4.47Å; L40-I44 WeakPolarHBondContact O-CG1 3.27Å; L40-I44 PolarHBondContact O-N 3.5Å; T41-I44 WeakPolarHBondContact O-CB 3.45Å; T41-I44 PolarHBondContact O-N 3.35Å; T41-I44 VanDerWaalsContact O-N 3.16Å; I44-T46 VanDerWaalsContact C-N 3.27Å; I44-T46 PolarHBondContact O-N 2.62Å; I44-V47 PolarHBondContact O-N 3.32Å; I44-H48 WeakPolarHBondContact O-CB 3.48Å; I44-H48 PolarHBondContact O-N 3.06Å; I44-I70 HydrophobicContact CG2-CG2 4.18Å; I44-L73 HydrophobicContact CD1-CB 4.04Å; I44-L73 HydrophobicContact CG1-CB 3.63Å; I44-L73 HydrophobicContact CG1-CD1 4.05Å
45	D	95	Very high	92.8	Very high	82 Å²	82	52.2 Å²	52.2	44%	0.439	25%	0.252	S	S	.	.	H	α-helix	trans	-63.5	-35.1	178.4	-64.3	-23.4	0	0	0	112	T41 V43 H48 R49	T41-D45 VanDerWaalsContact O-CG 3.29Å; T41-D45 PolarHBondContact O-N 3.47Å; V43-D45 VanDerWaalsContact C-N 3.33Å; V43-D45 PolarHBondContact O-N 3.08Å; D45-H48 PolarHBondContact O-N 3.03Å; D45-R49 WeakPolarHBondContact O-CG 3.31Å; D45-R49 PolarHBondContact O-N 3.11Å; D45-R49 PolarHBondContact O-NE 3Å
46	T	93.4	Very high	92.5	Very high	15 Å²	15	52.9 Å²	52.9	9%	0.092	27%	0.271	C	S	.	.	H	α-helix	trans	-71.6	-43.3	178.1	-57.3	0	0	0	0	111.4	K42 V43 I44 H48 R49 H50 W165	K42-T46 WeakPolarHBondContact O-CB 2.99Å; K42-T46 PolarHBondContact O-N 3.35Å; K42-T46 PolarHBondContact O-OG1 2.96Å; V43-T46 PolarHBondContact O-N 3.01Å; V43-T46 VanDerWaalsContact O-N 3.14Å; I44-T46 VanDerWaalsContact C-N 3.27Å; I44-T46 PolarHBondContact O-N 2.62Å; T46-H48 VanDerWaalsContact C-N 3.31Å; T46-H48 PolarHBondContact O-N 3.34Å; T46-R49 PolarHBondContact O-N 2.89Å; T46-R49 PolarHBondContact OG1-NH2 2.88Å; T46-H50 WeakPolarHBondContact O-CB 3.42Å; T46-H50 PolarHBondContact O-N 3.29Å; T46-W165 HydrophobicContact CG2-CH2 3.97Å; T46-W165 HydrophobicContact CG2-CZ2 4.22Å
47	V	91.9	Very high	92	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-58.5	-44.7	171.6	171.6	0	0	0	0	110.6	V43 I44 H50 R51 V66 V69 I70 L73 M162 W165	V43-V47 HydrophobicContact CG1-CG2 4.45Å; V43-V47 WeakPolarHBondContact O-CG2 3.38Å; V43-V47 PolarHBondContact O-N 2.99Å; I44-V47 PolarHBondContact O-N 3.32Å; V47-H50 PolarHBondContact O-N 3.24Å; V47-R51 PolarHBondContact O-N 3.36Å; V47-V66 HydrophobicContact CG1-CG1 4.01Å; V47-V69 HydrophobicContact CG1-CB 4.28Å; V47-V69 HydrophobicContact CG1-CG1 3.98Å; V47-V69 HydrophobicContact CG2-CG1 4.07Å; V47-I70 HydrophobicContact CB-CG1 4.37Å; V47-I70 HydrophobicContact CG1-CD1 4.24Å; V47-I70 HydrophobicContact CG1-CG1 3.72Å; V47-L73 HydrophobicContact CG2-CD1 4.12Å; V47-M162 HydrophobicContact CG1-CE 4.31Å; V47-M162 HydrophobicContact CG2-CE 4.45Å; V47-W165 HydrophobicContact CG2-CH2 3.93Å; V47-W165 HydrophobicContact CG2-CZ3 3.55Å
48	H	92.5	Very high	91.4	Very high	102 Å²	102	63.3 Å²	63.3	47%	0.472	31%	0.314	S	S	.	.	H	α-helix	trans	-61.6	-46	178.9	-176.3	72.1	0	0	0	112.4	I44 D45 T46 H50 R51 I70	I44-H48 WeakPolarHBondContact O-CB 3.48Å; I44-H48 PolarHBondContact O-N 3.06Å; D45-H48 PolarHBondContact O-N 3.03Å; T46-H48 VanDerWaalsContact C-N 3.31Å; T46-H48 PolarHBondContact O-N 3.34Å; H48-H50 VanDerWaalsContact C-N 3.32Å; H48-H50 PolarHBondContact O-N 3.38Å; H48-R51 WeakPolarHBondContact O-CB 3.48Å; H48-R51 PolarHBondContact O-N 3.48Å; H48-I70 HydrophobicContact CB-CD1 4.08Å
49	R	90.7	Very high	91	Very high	152 Å²	152	61 Å²	61	57%	0.574	31%	0.307	S	S	*	.	H	α-helix	trans	-64.5	-36.3	176	-73.5	-178.2	-66.3	167	2.6	112.3	D45 T46 R51	D45-R49 WeakPolarHBondContact O-CG 3.31Å; D45-R49 PolarHBondContact O-N 3.11Å; D45-R49 PolarHBondContact O-NE 3Å; T46-R49 PolarHBondContact O-N 2.89Å; T46-R49 PolarHBondContact OG1-NH2 2.88Å; R49-R51 PolarHBondContact O-N 3.49Å
50	H	86.8	Confident	90.6	Very high	47 Å²	47	65 Å²	65	22%	0.218	33%	0.325	C	S	.	.	H	α-helix	trans	-68.4	-16.4	178.8	-162.7	51.9	0	0	0	113.3	T46 V47 H48 H52 S53 L54 W165	T46-H50 WeakPolarHBondContact O-CB 3.42Å; T46-H50 PolarHBondContact O-N 3.29Å; V47-H50 PolarHBondContact O-N 3.24Å; H48-H50 VanDerWaalsContact C-N 3.32Å; H48-H50 PolarHBondContact O-N 3.38Å; H50-H52 VanDerWaalsContact C-N 3.29Å; H50-H52 PolarHBondContact O-N 3.25Å; H50-S53 WeakPolarHBondContact O-CB 3.4Å; H50-S53 PolarHBondContact O-N 3.04Å; H50-S53 VanDerWaalsContact O-N 3.08Å; H50-L54 PolarHBondContact O-N 3.02Å; H50-W165 HydrophobicContact CB-CH2 4.28Å; H50-W165 HydrophobicContact CB-CZ2 3.8Å; H50-W165 AromaticContact CD2-CE2 3.46Å; H50-W165 VanDerWaalsContact CD2-CE2 3.46Å; H50-W165 AromaticContact CD2-CZ2 3.67Å; H50-W165 AromaticContact CD2-NE1 3.41Å; H50-W165 PolarHBondContact CD2-NE1 3.28Å; H50-W165 AromaticContact CE1-NE1 3.76Å; H50-W165 AromaticContact CG-CE2 3.93Å; H50-W165 AromaticContact CG-CZ2 3.69Å; H50-W165 AromaticContact CG-NE1 3.98Å; H50-W165 AromaticContact NE2-CD1 3.7Å; H50-W165 AromaticContact NE2-CE2 3.86Å; H50-W165 AromaticContact NE2-NE1 3.28Å; H50-W165 PolarHBondContact NE2-NE1 2.85Å
51	R	88.1	Confident	90	Very high	69 Å²	69	72 Å²	72	26%	0.26	36%	0.358	S	S	.	.	H	α-helix	trans	-48.5	-47.2	176.8	-172.6	178.2	169.8	-123.6	-7.7	113.2	V47 H48 R49 S53 L54 I55 E60 S63 V66	V47-R51 PolarHBondContact O-N 3.36Å; H48-R51 WeakPolarHBondContact O-CB 3.48Å; H48-R51 PolarHBondContact O-N 3.48Å; R49-R51 PolarHBondContact O-N 3.49Å; R51-S53 VanDerWaalsContact C-N 3.34Å; R51-S53 PolarHBondContact O-N 2.94Å; R51-L54 PolarHBondContact O-N 3.48Å; R51-I55 HydrophobicContact CG-CD1 3.76Å; R51-I55 HydrophobicContact CG-CG1 4.39Å; R51-I55 WeakPolarHBondContact O-CG1 3.45Å; R51-I55 PolarHBondContact O-N 3.35Å; R51-E60 IonicContact NH2-OE1 2.83Å; R51-S63 PolarHBondContact NE-OG 3.19Å; R51-S63 VanDerWaalsContact NE-OG 3.12Å; R51-S63 PolarHBondContact NH2-OG 3.03Å; R51-V66 HydrophobicContact CB-CG1 4.01Å; R51-V66 HydrophobicContact CB-CG2 4.42Å; R51-V66 HydrophobicContact CG-CB 4.43Å; R51-V66 HydrophobicContact CG-CG1 4.1Å; R51-V66 HydrophobicContact CG-CG2 4.42Å
52	H	87.8	Confident	89.5	Confident	132 Å²	132	69.9 Å²	69.9	61%	0.611	35%	0.345	S	S	*	.	H	α-helix	trans	-63.6	-40.9	-177.9	-67.3	-71	0	0	0	112.1	H50 S56	H50-H52 VanDerWaalsContact C-N 3.29Å; H50-H52 PolarHBondContact O-N 3.25Å; H52-S56 WeakPolarHBondContact O-CB 3.45Å; H52-S56 PolarHBondContact O-N 3.08Å
53	S	87.1	Confident	89	Confident	65 Å²	65	65 Å²	65	46%	0.455	32%	0.324	S	S	.	.	H	α-helix	trans	-65.7	-39.1	176.8	-175.1	0	0	0	0	111.9	H50 R51 K57	H50-S53 WeakPolarHBondContact O-CB 3.4Å; H50-S53 PolarHBondContact O-N 3.04Å; H50-S53 VanDerWaalsContact O-N 3.08Å; R51-S53 VanDerWaalsContact C-N 3.34Å; R51-S53 PolarHBondContact O-N 2.94Å; S53-K57 WeakPolarHBondContact O-CB 3.33Å; S53-K57 PolarHBondContact O-N 3.22Å; S53-K57 VanDerWaalsContact O-N 3.15Å
54	L	85.1	Confident	88.5	Confident	6 Å²	6	70.2 Å²	70.2	3%	0.031	35%	0.348	C	S	.	.	H	α-helix	trans	-69.4	-43.8	178.4	-72	173.7	0	0	0	112	H50 R51 S56 K57 F58 A62 V66 M162	H50-L54 PolarHBondContact O-N 3.02Å; R51-L54 PolarHBondContact O-N 3.48Å; L54-S56 VanDerWaalsContact C-N 3.33Å; L54-S56 PolarHBondContact O-N 2.91Å; L54-K57 PolarHBondContact O-N 3.13Å; L54-K57 VanDerWaalsContact O-N 3.17Å; L54-F58 HydrophobicContact CD2-CD2 3.89Å; L54-F58 HydrophobicContact CD2-CE2 3.8Å; L54-F58 WeakPolarHBondContact O-CB 3.48Å; L54-F58 PolarHBondContact O-N 3.12Å; L54-A62 HydrophobicContact CB-CB 4.02Å; L54-V66 HydrophobicContact CD1-CG2 3.52Å; L54-M162 HydrophobicContact CD1-CE 4.28Å; L54-M162 HydrophobicContact CD1-CG 3.81Å; L54-M162 HydrophobicContact CD1-SD 3.75Å
55	I	87.1	Confident	88	Confident	39 Å²	39	69.9 Å²	69.9	20%	0.2	35%	0.346	C	S	.	.	H	α-helix	trans	-61.6	-43.9	175.8	-67.5	169.8	0	0	0	110.5	R51 K57 G59	R51-I55 HydrophobicContact CG-CD1 3.76Å; R51-I55 HydrophobicContact CG-CG1 4.39Å; R51-I55 WeakPolarHBondContact O-CG1 3.45Å; R51-I55 PolarHBondContact O-N 3.35Å; I55-K57 PolarHBondContact O-N 3.16Å; I55-G59 VanDerWaalsContact O-CA 3.29Å; I55-G59 WeakPolarHBondContact O-CA 3.21Å; I55-G59 PolarHBondContact O-N 2.91Å
56	S	89.6	Confident	87.7	Confident	109 Å²	109	66 Å²	66	76%	0.762	33%	0.326	S	S	*	.	H	α-helix	trans	-62.6	-30.3	177.7	-174.8	0	0	0	0	113	H52 L54	H52-S56 WeakPolarHBondContact O-CB 3.45Å; H52-S56 PolarHBondContact O-N 3.08Å; L54-S56 VanDerWaalsContact C-N 3.33Å; L54-S56 PolarHBondContact O-N 2.91Å
57	K	86.5	Confident	87.6	Confident	156 Å²	156	70.4 Å²	70.4	68%	0.678	34%	0.343	S	S	*	.	H	α-helix	trans	-91.4	-33	-176.2	-171.5	172.6	178.1	179	0	113.3	S53 L54 I55	S53-K57 WeakPolarHBondContact O-CB 3.33Å; S53-K57 PolarHBondContact O-N 3.22Å; S53-K57 VanDerWaalsContact O-N 3.15Å; L54-K57 PolarHBondContact O-N 3.13Å; L54-K57 VanDerWaalsContact O-N 3.17Å; I55-K57 PolarHBondContact O-N 3.16Å
58	F	85.8	Confident	87.5	Confident	84 Å²	84	72.4 Å²	72.4	37%	0.368	35%	0.351	S	S	.	.	H	α-helix	trans	-130	-3.4	-167.8	-58.5	-64	0	0	0	114.7	L54 A62 Y161	L54-F58 HydrophobicContact CD2-CD2 3.89Å; L54-F58 HydrophobicContact CD2-CE2 3.8Å; L54-F58 WeakPolarHBondContact O-CB 3.48Å; L54-F58 PolarHBondContact O-N 3.12Å; F58-A62 HydrophobicContact CB-CB 3.99Å; F58-Y161 HydrophobicContact CB-CD1 3.53Å; F58-Y161 HydrophobicContact CB-CE1 3.58Å; F58-Y161 HydrophobicContact CB-CG 4.29Å; F58-Y161 AromaticContact CD1-CD1 3.77Å; F58-Y161 HydrophobicContact CD1-CD1 3.77Å; F58-Y161 HydrophobicContact CD1-CE1 4.12Å; F58-Y161 AromaticContact CD2-CD1 3.76Å; F58-Y161 HydrophobicContact CD2-CD1 3.76Å; F58-Y161 HydrophobicContact CD2-CG 4.19Å; F58-Y161 HydrophobicContact CE1-CD1 4.36Å; F58-Y161 HydrophobicContact CE2-CD1 4.35Å; F58-Y161 AromaticContact CG-CD1 3.42Å; F58-Y161 HydrophobicContact CG-CD1 3.42Å; F58-Y161 VanDerWaalsContact CG-CD1 3.42Å; F58-Y161 AromaticContact CG-CE1 3.91Å; F58-Y161 HydrophobicContact CG-CE1 3.91Å; F58-Y161 HydrophobicContact CG-CG 4.25Å
59	G	86.8	Confident	87.4	Confident	33 Å²	33	67.6 Å²	67.6	34%	0.34	33%	0.328	S	S	.	.			trans	86.6	-177.8	-178.6	0	0	0	0	0	114.3	I55 E61 A62	I55-G59 VanDerWaalsContact O-CA 3.29Å; I55-G59 WeakPolarHBondContact O-CA 3.21Å; I55-G59 PolarHBondContact O-N 2.91Å; G59-E61 PolarHBondContact O-N 3.33Å; G59-A62 WeakPolarHBondContact O-CB 3.34Å; G59-A62 PolarHBondContact O-N 2.89Å
60	E	87.6	Confident	87.6	Confident	108 Å²	108	62.1 Å²	62.1	51%	0.505	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-21.2	-172	-164.2	59.1	-147.3	0	0	113.2	R51 A62 S63	R51-E60 IonicContact NH2-OE1 2.83Å; E60-A62 PolarHBondContact O-N 2.91Å; E60-S63 WeakPolarHBondContact O-CA 3.13Å; E60-S63 WeakPolarHBondContact O-CB 2.98Å; E60-S63 PolarHBondContact O-N 3.31Å; E60-S63 WeakPolarHBondContact OE1-CB 3.45Å; E60-S63 PolarHBondContact OE1-OG 3.18Å
61	E	84.2	Confident	87.9	Confident	147 Å²	147	63.3 Å²	63.3	69%	0.687	32%	0.324	S	S	*	.	H	α-helix	trans	-59.7	-30.2	174.2	-66.1	-175	172.8	0	0	112.6	G59 S63 E64 Y161	G59-E61 PolarHBondContact O-N 3.33Å; E61-S63 PolarHBondContact O-N 3.13Å; E61-E64 PolarHBondContact O-N 3.38Å; E61-Y161 HydrophobicContact CB-CE2 4.22Å; E61-Y161 PolarHBondContact OE2-OH 3.33Å
62	A	85.1	Confident	88.2	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-68.3	-23.8	175.4	0	0	0	0	0	112.9	L54 F58 G59 E60 E64 D65 V66 Y161	L54-A62 HydrophobicContact CB-CB 4.02Å; F58-A62 HydrophobicContact CB-CB 3.99Å; G59-A62 WeakPolarHBondContact O-CB 3.34Å; G59-A62 PolarHBondContact O-N 2.89Å; E60-A62 PolarHBondContact O-N 2.91Å; A62-E64 VanDerWaalsContact C-N 3.32Å; A62-E64 PolarHBondContact O-N 2.84Å; A62-D65 PolarHBondContact O-N 2.98Å; A62-V66 WeakPolarHBondContact O-CG2 3.46Å; A62-V66 PolarHBondContact O-N 3.17Å; A62-Y161 HydrophobicContact CB-CD2 3.75Å; A62-Y161 HydrophobicContact CB-CE2 4.08Å; A62-Y161 HydrophobicContact CB-CG 3.99Å
63	S	86.7	Confident	88.6	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-62.4	-38.6	174	-162.9	0	0	0	0	111.3	R51 E60 E61 V66 K67	R51-S63 PolarHBondContact NE-OG 3.19Å; R51-S63 VanDerWaalsContact NE-OG 3.12Å; R51-S63 PolarHBondContact NH2-OG 3.03Å; E60-S63 WeakPolarHBondContact O-CA 3.13Å; E60-S63 WeakPolarHBondContact O-CB 2.98Å; E60-S63 PolarHBondContact O-N 3.31Å; E60-S63 WeakPolarHBondContact OE1-CB 3.45Å; E60-S63 PolarHBondContact OE1-OG 3.18Å; E61-S63 PolarHBondContact O-N 3.13Å; S63-V66 PolarHBondContact O-N 2.69Å; S63-K67 WeakPolarHBondContact O-CG 3.41Å; S63-K67 PolarHBondContact O-N 2.67Å
64	E	85.6	Confident	89.1	Confident	109 Å²	109	55.6 Å²	55.6	51%	0.509	29%	0.289	S	S	.	.	H	α-helix	trans	-70.1	-37.8	176.9	-66.2	-54.1	126.4	0	0	111.9	E61 A62 V66 K67 R68	E61-E64 PolarHBondContact O-N 3.38Å; A62-E64 VanDerWaalsContact C-N 3.32Å; A62-E64 PolarHBondContact O-N 2.84Å; E64-V66 VanDerWaalsContact C-N 3.33Å; E64-V66 PolarHBondContact O-N 2.75Å; E64-K67 PolarHBondContact O-N 2.64Å; E64-K67 IonicContact OE1-NZ 3.46Å; E64-K67 PolarHBondContact OE1-NZ 2.98Å; E64-R68 WeakPolarHBondContact O-CB 3.45Å; E64-R68 PolarHBondContact O-N 3.18Å
65	D	84.5	Confident	89.6	Confident	13 Å²	13	60.4 Å²	60.4	7%	0.07	31%	0.311	C	S	.	.	H	α-helix	trans	-63.8	-40.8	174.9	-154.1	29.6	0	0	0	111.1	A62 R68 V69 S159 Y161	A62-D65 PolarHBondContact O-N 2.98Å; D65-R68 WeakPolarHBondContact O-CB 3.19Å; D65-R68 PolarHBondContact O-N 3.34Å; D65-R68 IonicContact OD1-CZ 2.79Å; D65-R68 IonicContact OD1-NE 2.87Å; D65-R68 PolarHBondContact OD1-NE 2.85Å; D65-R68 IonicContact OD1-NH2 3.3Å; D65-R68 PolarHBondContact OD1-NH2 2.89Å; D65-R68 IonicContact OD2-NH2 2.94Å; D65-V69 WeakPolarHBondContact O-CG2 3.48Å; D65-V69 PolarHBondContact O-N 3.24Å; D65-S159 PolarHBondContact OD2-OG 2.83Å; D65-Y161 HydrophobicContact CB-CD2 4.11Å
66	V	89.4	Confident	90.1	Very high	1 Å²	1	59 Å²	59	1%	0.006	30%	0.304	C	S	.	.	H	α-helix	trans	-61.4	-47	174.2	170.1	0	0	0	0	112	V47 R51 L54 A62 S63 E64 R68 V69 I70 M162	V47-V66 HydrophobicContact CG1-CG1 4.01Å; R51-V66 HydrophobicContact CB-CG1 4.01Å; R51-V66 HydrophobicContact CB-CG2 4.42Å; R51-V66 HydrophobicContact CG-CB 4.43Å; R51-V66 HydrophobicContact CG-CG1 4.1Å; R51-V66 HydrophobicContact CG-CG2 4.42Å; L54-V66 HydrophobicContact CD1-CG2 3.52Å; A62-V66 WeakPolarHBondContact O-CG2 3.46Å; A62-V66 PolarHBondContact O-N 3.17Å; S63-V66 PolarHBondContact O-N 2.69Å; E64-V66 VanDerWaalsContact C-N 3.33Å; E64-V66 PolarHBondContact O-N 2.75Å; V66-R68 VanDerWaalsContact C-N 3.28Å; V66-R68 PolarHBondContact O-N 3.05Å; V66-V69 PolarHBondContact O-N 3.16Å; V66-I70 HydrophobicContact CG1-CD1 3.85Å; V66-I70 HydrophobicContact CG1-CG1 4.46Å; V66-I70 WeakPolarHBondContact O-CG1 3.32Å; V66-I70 PolarHBondContact O-N 2.85Å; V66-M162 HydrophobicContact CG2-SD 4.16Å
67	K	90.4	Very high	90.5	Very high	106 Å²	106	58.6 Å²	58.6	46%	0.461	29%	0.286	S	S	.	.	H	α-helix	trans	-58.6	-42.1	177.6	-73.4	172.6	-172.8	169.1	0	111.4	S63 E64 I70 S71	S63-K67 WeakPolarHBondContact O-CG 3.41Å; S63-K67 PolarHBondContact O-N 2.67Å; E64-K67 PolarHBondContact O-N 2.64Å; E64-K67 IonicContact OE1-NZ 3.46Å; E64-K67 PolarHBondContact OE1-NZ 2.98Å; K67-I70 PolarHBondContact O-N 3.41Å; K67-S71 WeakPolarHBondContact O-CB 3.4Å; K67-S71 PolarHBondContact O-N 3.33Å
68	R	89.7	Confident	91	Very high	43 Å²	43	57.7 Å²	57.7	16%	0.162	28%	0.279	C	S	.	.	H	α-helix	trans	-60.5	-49.1	176.2	-179.5	-164.8	61	67.1	-6.3	111.6	E64 D65 V66 I70 S71 H72 A141 T144	E64-R68 WeakPolarHBondContact O-CB 3.45Å; E64-R68 PolarHBondContact O-N 3.18Å; D65-R68 WeakPolarHBondContact O-CB 3.19Å; D65-R68 PolarHBondContact O-N 3.34Å; D65-R68 IonicContact OD1-CZ 2.79Å; D65-R68 IonicContact OD1-NE 2.87Å; D65-R68 PolarHBondContact OD1-NE 2.85Å; D65-R68 IonicContact OD1-NH2 3.3Å; D65-R68 PolarHBondContact OD1-NH2 2.89Å; D65-R68 IonicContact OD2-NH2 2.94Å; V66-R68 VanDerWaalsContact C-N 3.28Å; V66-R68 PolarHBondContact O-N 3.05Å; R68-I70 PolarHBondContact O-N 3.35Å; R68-S71 WeakPolarHBondContact O-CB 3.25Å; R68-S71 PolarHBondContact O-N 3.5Å; R68-H72 PolarHBondContact O-N 3.1Å; R68-A141 PolarHBondContact NH1-O 2.87Å; R68-T144 PolarHBondContact NH1-O 3.3Å; R68-T144 PolarHBondContact NH2-O 3.22Å; R68-T144 VanDerWaalsContact NH2-O 3.15Å
69	V	91.6	Very high	91.6	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-59.1	-48	177.9	175.4	0	0	0	0	110.6	V47 D65 V66 S71 H72 L73 I142 M162	V47-V69 HydrophobicContact CG1-CB 4.28Å; V47-V69 HydrophobicContact CG1-CG1 3.98Å; V47-V69 HydrophobicContact CG2-CG1 4.07Å; D65-V69 WeakPolarHBondContact O-CG2 3.48Å; D65-V69 PolarHBondContact O-N 3.24Å; V66-V69 PolarHBondContact O-N 3.16Å; V69-S71 VanDerWaalsContact C-N 3.31Å; V69-S71 PolarHBondContact O-N 3.38Å; V69-H72 PolarHBondContact O-N 2.99Å; V69-L73 HydrophobicContact CG1-CD1 3.78Å; V69-L73 HydrophobicContact CG1-CG 4.23Å; V69-L73 VanDerWaalsContact O-CG 3.3Å; V69-L73 WeakPolarHBondContact O-CG 3.35Å; V69-L73 PolarHBondContact O-N 3.48Å; V69-I142 HydrophobicContact CG1-CG1 4.02Å; V69-M162 HydrophobicContact CG2-SD 3.98Å
70	I	93.9	Very high	92.1	Very high	37 Å²	37	55 Å²	55	19%	0.19	26%	0.256	C	S	.	.	H	α-helix	trans	-59.5	-41.4	178.2	-69.2	172.9	0	0	0	111.5	I44 V47 H48 V66 K67 R68 L73 S74	I44-I70 HydrophobicContact CG2-CG2 4.18Å; V47-I70 HydrophobicContact CB-CG1 4.37Å; V47-I70 HydrophobicContact CG1-CD1 4.24Å; V47-I70 HydrophobicContact CG1-CG1 3.72Å; H48-I70 HydrophobicContact CB-CD1 4.08Å; V66-I70 HydrophobicContact CG1-CD1 3.85Å; V66-I70 HydrophobicContact CG1-CG1 4.46Å; V66-I70 WeakPolarHBondContact O-CG1 3.32Å; V66-I70 PolarHBondContact O-N 2.85Å; K67-I70 PolarHBondContact O-N 3.41Å; R68-I70 PolarHBondContact O-N 3.35Å; I70-L73 PolarHBondContact O-N 2.97Å; I70-S74 VanDerWaalsContact O-CB 3.3Å; I70-S74 WeakPolarHBondContact O-CB 3.21Å; I70-S74 PolarHBondContact O-N 3.29Å; I70-S74 PolarHBondContact O-OG 3.39Å
71	S	94	Very high	92.5	Very high	73 Å²	73	53.5 Å²	53.5	51%	0.51	26%	0.258	S	S	.	.	H	α-helix	trans	-60.6	-49.7	176.8	-174.8	0	0	0	0	111.6	K67 R68 V69 L73 S74 E75	K67-S71 WeakPolarHBondContact O-CB 3.4Å; K67-S71 PolarHBondContact O-N 3.33Å; R68-S71 WeakPolarHBondContact O-CB 3.25Å; R68-S71 PolarHBondContact O-N 3.5Å; V69-S71 VanDerWaalsContact C-N 3.31Å; V69-S71 PolarHBondContact O-N 3.38Å; S71-L73 PolarHBondContact O-N 2.86Å; S71-S74 WeakPolarHBondContact O-CB 3.14Å; S71-S74 PolarHBondContact O-N 3.36Å; S71-E75 PolarHBondContact O-N 2.96Å
72	H	93.6	Very high	93	Very high	57 Å²	57	49.3 Å²	49.3	26%	0.264	24%	0.243	S	C	.	.	H	α-helix	trans	-61.5	-43.4	178	-72.1	-174	0	0	0	112.5	R68 V69 S74 E75 L76 A141	R68-H72 PolarHBondContact O-N 3.1Å; V69-H72 PolarHBondContact O-N 2.99Å; H72-S74 VanDerWaalsContact C-N 3.32Å; H72-S74 PolarHBondContact O-N 2.89Å; H72-E75 PolarHBondContact O-N 3.4Å; H72-L76 PolarHBondContact O-N 3.19Å; H72-A141 HydrophobicContact CB-CB 3.84Å
73	L	96.3	Very high	93.5	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-66.9	-34.7	177.5	-65.8	174.5	0	0	0	112	L40 V43 I44 V47 V69 I70 S71 L76 R77 I138 A141	L40-L73 HydrophobicContact CD1-CB 4.21Å; L40-L73 HydrophobicContact CD1-CD2 3.82Å; V43-L73 HydrophobicContact CG1-CD1 3.84Å; I44-L73 HydrophobicContact CD1-CB 4.04Å; I44-L73 HydrophobicContact CG1-CB 3.63Å; I44-L73 HydrophobicContact CG1-CD1 4.05Å; V47-L73 HydrophobicContact CG2-CD1 4.12Å; V69-L73 HydrophobicContact CG1-CD1 3.78Å; V69-L73 HydrophobicContact CG1-CG 4.23Å; V69-L73 VanDerWaalsContact O-CG 3.3Å; V69-L73 WeakPolarHBondContact O-CG 3.35Å; V69-L73 PolarHBondContact O-N 3.48Å; I70-L73 PolarHBondContact O-N 2.97Å; S71-L73 PolarHBondContact O-N 2.86Å; L73-L76 WeakPolarHBondContact O-CB 3.49Å; L73-L76 PolarHBondContact O-N 3.47Å; L73-R77 PolarHBondContact O-N 3.11Å; L73-I138 HydrophobicContact CD2-CB 4.38Å; L73-I138 HydrophobicContact CD2-CG1 4.09Å; L73-I138 HydrophobicContact CD2-CG2 4.31Å; L73-A141 HydrophobicContact CD2-CB 3.75Å; L73-A141 HydrophobicContact CG-CB 4.11Å
74	S	96.9	Very high	93.9	Very high	47 Å²	47	55.7 Å²	55.7	33%	0.329	27%	0.273	S	S	.	.	H	α-helix	trans	-67	-40.6	175.2	-61.5	0	0	0	0	111.7	I70 S71 H72 R77 Y78	I70-S74 VanDerWaalsContact O-CB 3.3Å; I70-S74 WeakPolarHBondContact O-CB 3.21Å; I70-S74 PolarHBondContact O-N 3.29Å; I70-S74 PolarHBondContact O-OG 3.39Å; S71-S74 WeakPolarHBondContact O-CB 3.14Å; S71-S74 PolarHBondContact O-N 3.36Å; H72-S74 VanDerWaalsContact C-N 3.32Å; H72-S74 PolarHBondContact O-N 2.89Å; S74-R77 PolarHBondContact O-N 3.49Å; S74-Y78 PolarHBondContact O-N 3.27Å
75	E	96.8	Very high	94.3	Very high	106 Å²	106	52 Å²	52	50%	0.495	26%	0.258	S	S	.	.	H	α-helix	trans	-61.9	-46.4	171.7	-172.9	-174	167.3	0	0	111	S71 H72 R77 Y78 R79	S71-E75 PolarHBondContact O-N 2.96Å; H72-E75 PolarHBondContact O-N 3.4Å; E75-R77 VanDerWaalsContact C-N 3.26Å; E75-R77 PolarHBondContact O-N 3.45Å; E75-Y78 WeakPolarHBondContact O-CB 3.4Å; E75-Y78 PolarHBondContact O-N 3.01Å; E75-Y78 VanDerWaalsContact O-N 3.13Å; E75-R79 HydrophobicContact CG-CG 4.33Å; E75-R79 WeakPolarHBondContact O-CG 3.45Å; E75-R79 PolarHBondContact O-N 3.49Å
76	L	97.5	Very high	94.8	Very high	11 Å²	11	51.4 Å²	51.4	6%	0.058	26%	0.255	C	S	.	.	H	α-helix	trans	-55.5	-43.1	176.4	-178.5	63	0	0	0	111.3	L40 H72 L73 R79 L80 W122 K137 I138	L40-L76 HydrophobicContact CD1-CD2 4.16Å; L40-L76 HydrophobicContact CD2-CB 4.11Å; L40-L76 HydrophobicContact CD2-CD2 4.08Å; L40-L76 HydrophobicContact CD2-CG 3.91Å; H72-L76 PolarHBondContact O-N 3.19Å; L73-L76 WeakPolarHBondContact O-CB 3.49Å; L73-L76 PolarHBondContact O-N 3.47Å; L76-R79 PolarHBondContact O-N 3.28Å; L76-L80 WeakPolarHBondContact O-CB 3.29Å; L76-L80 PolarHBondContact O-N 3.5Å; L76-W122 HydrophobicContact CD1-CH2 3.85Å; L76-W122 HydrophobicContact CD1-CZ2 3.62Å; L76-K137 HydrophobicContact CD1-CB 3.86Å; L76-K137 HydrophobicContact CD1-CG 4.2Å; L76-K137 HydrophobicContact CD2-CB 3.74Å; L76-K137 HydrophobicContact CG-CB 4.47Å; L76-I138 HydrophobicContact CD2-CG1 4.18Å
77	R	97.4	Very high	95.1	Very high	100 Å²	100	53.7 Å²	53.7	38%	0.377	27%	0.269	S	S	.	.	H	α-helix	trans	-62.9	-44.1	177.7	-167.5	179.4	69.9	176.1	-0.3	112	L40 T41 L73 S74 E75 S81	L40-R77 VanDerWaalsContact CD2-CA 3.45Å; L40-R77 HydrophobicContact CD2-CB 3.53Å; L40-R77 HydrophobicContact CD2-CG 4.15Å; L40-R77 HydrophobicContact CG-CB 4.24Å; T41-R77 PolarHBondContact OG1-NH1 3.03Å; L73-R77 PolarHBondContact O-N 3.11Å; S74-R77 PolarHBondContact O-N 3.49Å; E75-R77 VanDerWaalsContact C-N 3.26Å; E75-R77 PolarHBondContact O-N 3.45Å; R77-S81 VanDerWaalsContact O-CB 3.31Å; R77-S81 WeakPolarHBondContact O-CB 3.2Å; R77-S81 PolarHBondContact O-N 3.12Å; R77-S81 PolarHBondContact O-OG 3.32Å
78	Y	97.5	Very high	95.3	Very high	136 Å²	136	51.9 Å²	51.9	53%	0.533	26%	0.264	S	S	.	.	H	α-helix	trans	-60.9	-47.1	175.8	166.9	-104.2	0	0	0	111.1	S74 E75 L80 S81 T82	S74-Y78 PolarHBondContact O-N 3.27Å; E75-Y78 WeakPolarHBondContact O-CB 3.4Å; E75-Y78 PolarHBondContact O-N 3.01Å; E75-Y78 VanDerWaalsContact O-N 3.13Å; Y78-L80 PolarHBondContact O-N 3Å; Y78-S81 PolarHBondContact O-N 2.89Å; Y78-T82 HydrophobicContact CD2-CG2 3.87Å; Y78-T82 HydrophobicContact CE2-CG2 3.58Å; Y78-T82 WeakPolarHBondContact O-CB 3.31Å; Y78-T82 PolarHBondContact O-N 3.47Å; Y78-T82 PolarHBondContact O-OG1 3.05Å
79	R	97.6	Very high	95.5	Very high	59 Å²	59	49.9 Å²	49.9	22%	0.223	26%	0.257	C	S	.	.	H	α-helix	trans	-61.3	-44.1	179.4	-68.7	-176.3	73.4	82.7	10.4	112.3	E75 L76 D83 K84 P85 T87	E75-R79 HydrophobicContact CG-CG 4.33Å; E75-R79 WeakPolarHBondContact O-CG 3.45Å; E75-R79 PolarHBondContact O-N 3.49Å; L76-R79 PolarHBondContact O-N 3.28Å; R79-D83 PolarHBondContact O-N 2.7Å; R79-K84 HydrophobicContact CB-CB 4.03Å; R79-K84 HydrophobicContact CB-CG 4.26Å; R79-K84 HydrophobicContact CG-CB 4.3Å; R79-K84 HydrophobicContact CG-CG 4.33Å; R79-K84 PolarHBondContact O-N 2.86Å; R79-P85 PolarHBondContact NH2-O 2.95Å; R79-T87 VanDerWaalsContact NH2-CG2 3.3Å
80	L	97.2	Very high	95.4	Very high	1 Å²	1	54 Å²	54	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-60.2	-51.9	174.4	171.3	65.7	0	0	0	111.4	V32 L36 P37 L76 Y78 T82 D83 W122 F134	V32-L80 HydrophobicContact CG1-CD1 3.89Å; L36-L80 HydrophobicContact CB-CD1 4.49Å; L36-L80 HydrophobicContact CB-CD2 3.66Å; L36-L80 HydrophobicContact CD1-CD1 4.34Å; P37-L80 HydrophobicContact CG-CD2 3.85Å; P37-L80 HydrophobicContact CG-CG 4.36Å; L76-L80 WeakPolarHBondContact O-CB 3.29Å; L76-L80 PolarHBondContact O-N 3.5Å; Y78-L80 PolarHBondContact O-N 3Å; L80-T82 VanDerWaalsContact C-N 3.25Å; L80-T82 PolarHBondContact O-N 3.29Å; L80-D83 PolarHBondContact O-N 2.99Å; L80-W122 HydrophobicContact CB-CD2 4.26Å; L80-W122 HydrophobicContact CB-CZ2 4.46Å; L80-W122 HydrophobicContact CD1-CB 4.09Å; L80-W122 HydrophobicContact CD1-CD2 3.55Å; L80-W122 HydrophobicContact CD1-CE3 3.47Å; L80-W122 VanDerWaalsContact CD1-CE3 3.47Å; L80-W122 HydrophobicContact CD1-CG 3.83Å; L80-W122 HydrophobicContact CD1-CZ3 4.13Å; L80-F134 HydrophobicContact CD2-CD2 4.25Å; L80-F134 HydrophobicContact CD2-CE2 4.06Å
81	S	95.4	Very high	95.2	Very high	77 Å²	77	53.1 Å²	53.1	54%	0.538	28%	0.276	S	S	.	.	H	α-helix	trans	-70.2	-22	-174.2	-52	0	0	0	0	113.5	R77 Y78	R77-S81 VanDerWaalsContact O-CB 3.31Å; R77-S81 WeakPolarHBondContact O-CB 3.2Å; R77-S81 PolarHBondContact O-N 3.12Å; R77-S81 PolarHBondContact O-OG 3.32Å; Y78-S81 PolarHBondContact O-N 2.89Å
82	T	95.6	Very high	94.7	Very high	59 Å²	59	53 Å²	53	36%	0.362	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	18	178.8	60.4	0	0	0	0	113.1	Y78 L80 K84	Y78-T82 HydrophobicContact CD2-CG2 3.87Å; Y78-T82 HydrophobicContact CE2-CG2 3.58Å; Y78-T82 WeakPolarHBondContact O-CB 3.31Å; Y78-T82 PolarHBondContact O-N 3.47Å; Y78-T82 PolarHBondContact O-OG1 3.05Å; L80-T82 VanDerWaalsContact C-N 3.25Å; L80-T82 PolarHBondContact O-N 3.29Å; T82-K84 VanDerWaalsContact C-N 3.27Å; T82-K84 PolarHBondContact O-N 2.88Å; T82-K84 WeakPolarHBondContact OG1-CE 3.48Å; T82-K84 WeakPolarHBondContact OG1-CG 3.38Å
83	D	95.6	Very high	94.3	Very high	57 Å²	57	52.2 Å²	52.2	31%	0.305	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.4	45.9	176.5	-166.8	30	0	0	0	113.7	R79 L80 T121 W122 F123	R79-D83 PolarHBondContact O-N 2.7Å; L80-D83 PolarHBondContact O-N 2.99Å; D83-T121 WeakPolarHBondContact OD1-CB 3.26Å; D83-T121 PolarHBondContact OD1-OG1 3.49Å; D83-W122 PolarHBondContact OD1-N 3.26Å; D83-F123 HydrophobicContact CB-CD2 3.85Å; D83-F123 HydrophobicContact CB-CE2 4.33Å; D83-F123 VanDerWaalsContact CG-CD2 3.46Å; D83-F123 VanDerWaalsContact OD1-CD2 3.26Å; D83-F123 WeakPolarHBondContact OD1-CD2 3.5Å; D83-F123 PolarHBondContact OD1-N 2.86Å
84	K	95.4	Very high	93.8	Very high	78 Å²	78	56.6 Å²	56.6	34%	0.339	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-73.2	154.4	177.5	-60.9	-58.1	-179.1	-171.6	0	111	R79 T82 W122	R79-K84 HydrophobicContact CB-CB 4.03Å; R79-K84 HydrophobicContact CB-CG 4.26Å; R79-K84 HydrophobicContact CG-CB 4.3Å; R79-K84 HydrophobicContact CG-CG 4.33Å; R79-K84 PolarHBondContact O-N 2.86Å; T82-K84 VanDerWaalsContact C-N 3.27Å; T82-K84 PolarHBondContact O-N 2.88Å; T82-K84 WeakPolarHBondContact OG1-CE 3.48Å; T82-K84 WeakPolarHBondContact OG1-CG 3.38Å; K84-W122 PolarHBondContact O-NE1 2.91Å
85	P	93.9	Very high	93.6	Very high	30 Å²	30	54.4 Å²	54.4	20%	0.195	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-55.1	143.2	172.3	-26.8	35.5	0	0	0	112.7	R79 T87 E119 A120 T121	R79-P85 PolarHBondContact NH2-O 2.95Å; P85-T87 PolarHBondContact O-N 3.13Å; P85-E119 HydrophobicContact CB-CB 4.21Å; P85-E119 HydrophobicContact CG-CB 3.83Å; P85-E119 HydrophobicContact CG-CG 4.15Å; P85-E119 WeakPolarHBondContact CG-OE2 3.36Å; P85-A120 CarbonylContact C-O 3.58Å; P85-A120 WeakPolarHBondContact CA-O 3.34Å; P85-T121 HydrophobicContact CG-CG2 4.39Å
86	L	95.1	Very high	93.4	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.01	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-66.7	130.9	171.4	-80.7	63.5	0	0	0	109.1	L103 K107 A120 T121 W122 Y133	L86-L103 HydrophobicContact CB-CD1 3.87Å; L86-L103 HydrophobicContact CB-CD2 3.93Å; L86-L103 HydrophobicContact CD2-CD1 4.1Å; L86-K107 WeakPolarHBondContact O-CE 2.92Å; L86-K107 PolarHBondContact O-NZ 2.88Å; L86-A120 PolarHBondContact N-O 2.94Å; L86-T121 WeakPolarHBondContact CD1-O 3.48Å; L86-W122 HydrophobicContact CD1-CD2 4.14Å; L86-W122 HydrophobicContact CD1-CG 4.1Å; L86-Y133 HydrophobicContact CB-CE1 4.21Å; L86-Y133 HydrophobicContact CD2-CD1 3.8Å; L86-Y133 HydrophobicContact CD2-CD2 4.32Å; L86-Y133 HydrophobicContact CD2-CE1 4.06Å; L86-Y133 HydrophobicContact CD2-CG 3.95Å; L86-Y133 HydrophobicContact CG-CD1 3.94Å; L86-Y133 HydrophobicContact CG-CE1 3.72Å
87	T	94.7	Very high	93.2	Very high	49 Å²	49	57 Å²	57	30%	0.301	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-93.2	161.8	177.1	63.3	0	0	0	0	110.3	R79 P85 L103 Y133	R79-T87 VanDerWaalsContact NH2-CG2 3.3Å; P85-T87 PolarHBondContact O-N 3.13Å; T87-L103 WeakPolarHBondContact O-CD2 3.28Å; T87-Y133 PolarHBondContact N-OH 3.43Å; T87-Y133 VanDerWaalsContact N-OH 3.13Å; T87-Y133 WeakPolarHBondContact O-CE2 3.34Å; T87-Y133 PolarHBondContact O-OH 2.85Å; T87-Y133 PolarHBondContact OG1-OH 3.02Å
88	L	94.9	Very high	93	Very high	67 Å²	67	54.4 Å²	54.4	35%	0.351	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-60	150.3	168.1	-59.9	-179.8	0	0	0	110.3	N100 L103 E104	L88-N100 WeakPolarHBondContact CA-OD1 3.34Å; L88-N100 WeakPolarHBondContact CB-OD1 3.4Å; L88-N100 HydrophobicContact CD2-CB 4.05Å; L88-L103 HydrophobicContact CD2-CD2 4.33Å; L88-E104 HydrophobicContact CD2-CG 4.27Å
89	I	94	Very high	92.9	Very high	1 Å²	1	48 Å²	48	1%	0.005	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-81.5	133.1	172.6	-61.4	-173.8	0	0	0	107.5	C96 W99 N100 Y133 R136 K137 E140	I89-C96 PolarHBondContact O-SG 3.45Å; I89-W99 HydrophobicContact CD1-CB 3.54Å; I89-W99 HydrophobicContact CD1-CD2 3.69Å; I89-W99 HydrophobicContact CD1-CE3 3.93Å; I89-W99 HydrophobicContact CD1-CG 3.53Å; I89-W99 HydrophobicContact CG1-CB 4.29Å; I89-N100 PolarHBondContact N-OD1 3.37Å; I89-N100 PolarHBondContact O-ND2 3.22Å; I89-Y133 HydrophobicContact CD1-CD2 3.9Å; I89-Y133 HydrophobicContact CD1-CE2 3.92Å; I89-Y133 HydrophobicContact CG1-CD2 4.21Å; I89-Y133 HydrophobicContact CG1-CE2 3.71Å; I89-R136 HydrophobicContact CD1-CB 4.03Å; I89-R136 HydrophobicContact CD1-CG 3.38Å; I89-R136 HydrophobicContact CG2-CG 4.47Å; I89-K137 HydrophobicContact CG1-CD 4.19Å; I89-E140 WeakPolarHBondContact CA-OE2 3.39Å; I89-E140 WeakPolarHBondContact CG2-OE2 3.48Å
90	N	90.8	Very high	92.8	Very high	87 Å²	87	46.7 Å²	46.7	47%	0.465	26%	0.262	S	S	.	.			trans	-113.3	90.1	178.5	-72.9	-44.7	0	0	0	108.9	E140 T144 V156	N90-E140 PolarHBondContact N-OE2 2.83Å; N90-E140 WeakPolarHBondContact O-CG 3.35Å; N90-T144 WeakPolarHBondContact O-CG2 3.16Å; N90-V156 HydrophobicContact CB-CG2 4Å
91	S	88.2	Confident	92.7	Very high	18 Å²	18	52.8 Å²	52.8	13%	0.126	29%	0.288	C	S	.	.			trans	-135.9	153	-179.2	-179.1	0	0	0	0	112.7	L93 R136 E143	S91-L93 VanDerWaalsContact C-N 3.28Å; S91-L93 PolarHBondContact OG-N 3.35Å; S91-R136 PolarHBondContact OG-NH2 3.48Å; S91-E143 VanDerWaalsContact CB-OE1 3.23Å; S91-E143 WeakPolarHBondContact CB-OE1 3.32Å; S91-E143 PolarHBondContact OG-OE1 3.43Å
92	T	83.6	Confident	92.6	Very high	70 Å²	70	49.9 Å²	49.9	43%	0.429	27%	0.268	S	S	.	.	S	Bend	trans	-79.4	-10.2	169.3	58.3	0	0	0	0	112.7	V156 C158	T92-V156 HydrophobicContact CG2-CG1 4.47Å; T92-C158 PolarHBondContact OG1-SG 2.62Å
93	L	85.5	Confident	92.5	Very high	42 Å²	42	47.2 Å²	47.2	22%	0.22	25%	0.251	C	S	.	.	S	Bend	trans	-75.6	144.5	178.3	-66.9	-174.9	0	0	0	111.6	S91 D95 C96 E143 L315	S91-L93 VanDerWaalsContact C-N 3.28Å; S91-L93 PolarHBondContact OG-N 3.35Å; L93-D95 WeakPolarHBondContact CB-OD1 3.4Å; L93-D95 PolarHBondContact O-N 2.82Å; L93-C96 WeakPolarHBondContact O-CB 3.25Å; L93-C96 PolarHBondContact O-N 2.92Å; L93-C96 VanDerWaalsContact O-N 3.15Å; L93-E143 WeakPolarHBondContact CD1-OE2 3.49Å; L93-L315 HydrophobicContact CD1-CD1 3.99Å; L93-L315 HydrophobicContact CD1-CD2 3.65Å; L93-L315 HydrophobicContact CD1-CG 4.43Å
94	P	87	Confident	92.4	Very high	92 Å²	92	47.6 Å²	47.6	60%	0.597	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-29.8	-178.2	-25.3	34.6	0	0	0	114.4	C96 Q97 L364	P94-C96 PolarHBondContact O-N 3Å; P94-C96 VanDerWaalsContact O-N 3.16Å; P94-Q97 PolarHBondContact O-N 3.47Å; P94-L364 HydrophobicContact CB-CD1 4.26Å
95	D	92.3	Very high	92.1	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-63.8	-19.9	-179.8	76.9	-39	0	0	0	113.4	L93 Q97 I98 W99 R136 L364	L93-D95 WeakPolarHBondContact CB-OD1 3.4Å; L93-D95 PolarHBondContact O-N 2.82Å; D95-Q97 PolarHBondContact O-N 2.74Å; D95-Q97 VanDerWaalsContact O-N 3.15Å; D95-I98 WeakPolarHBondContact O-CA 3.24Å; D95-I98 WeakPolarHBondContact O-CB 3.17Å; D95-I98 PolarHBondContact O-N 3.3Å; D95-W99 VanDerWaalsContact O-CD1 3.24Å; D95-W99 PolarHBondContact O-N 3.05Å; D95-W99 PolarHBondContact OD2-NE1 3.31Å; D95-R136 IonicContact OD1-CZ 3.98Å; D95-R136 IonicContact OD1-NE 3.13Å; D95-R136 PolarHBondContact OD1-NE 2.93Å; D95-R136 IonicContact OD1-NH2 2.67Å; D95-R136 PolarHBondContact OD1-NH2 3.42Å; D95-R136 WeakPolarHBondContact OD2-CD 3.43Å; D95-R136 IonicContact OD2-CZ 2.74Å; D95-R136 IonicContact OD2-NE 2.67Å; D95-R136 PolarHBondContact OD2-NE 2.79Å; D95-R136 IonicContact OD2-NH2 2.99Å; D95-L364 HydrophobicContact CB-CB 4.11Å; D95-L364 HydrophobicContact CB-CD1 4.09Å; D95-L364 HydrophobicContact CB-CD2 4.13Å; D95-L364 HydrophobicContact CB-CG 4.33Å
96	C	92.9	Very high	91.8	Very high	16 Å²	16	46.8 Å²	46.8	11%	0.108	24%	0.244	C	C	.	.	H	α-helix	trans	-48.5	-41.3	175.1	-178.7	0	0	0	0	112.3	I89 L93 P94 W99 N100	I89-C96 PolarHBondContact O-SG 3.45Å; L93-C96 WeakPolarHBondContact O-CB 3.25Å; L93-C96 PolarHBondContact O-N 2.92Å; L93-C96 VanDerWaalsContact O-N 3.15Å; P94-C96 PolarHBondContact O-N 3Å; P94-C96 VanDerWaalsContact O-N 3.16Å; C96-W99 PolarHBondContact O-N 2.95Å; C96-N100 WeakPolarHBondContact O-CB 3.34Å; C96-N100 VanDerWaalsContact O-CG 3.31Å; C96-N100 PolarHBondContact O-N 2.83Å; C96-N100 PolarHBondContact O-ND2 3.4Å
97	Q	92.6	Very high	91.5	Very high	156 Å²	156	48.3 Å²	48.3	73%	0.729	25%	0.251	S	S	*	.	H	α-helix	trans	-66.9	-40.4	178.7	-63.8	179.9	-0.5	0	0	112.1	P94 D95 N100 K101	P94-Q97 PolarHBondContact O-N 3.47Å; D95-Q97 PolarHBondContact O-N 2.74Å; D95-Q97 VanDerWaalsContact O-N 3.15Å; Q97-N100 PolarHBondContact O-N 3.23Å; Q97-K101 WeakPolarHBondContact O-CB 3.44Å; Q97-K101 PolarHBondContact O-N 3.43Å
98	I	93.5	Very high	91	Very high	45 Å²	45	51.2 Å²	51.2	23%	0.231	26%	0.261	C	S	.	.	H	α-helix	trans	-62.3	-45.5	178.6	-64.3	177.1	0	0	0	110	D95 C102 Y370 V378	D95-I98 WeakPolarHBondContact O-CA 3.24Å; D95-I98 WeakPolarHBondContact O-CB 3.17Å; D95-I98 PolarHBondContact O-N 3.3Å; I98-C102 WeakPolarHBondContact O-CB 3.24Å; I98-C102 PolarHBondContact O-N 3.16Å; I98-Y370 HydrophobicContact CG2-CD2 3.8Å; I98-Y370 HydrophobicContact CG2-CE2 3.46Å; I98-Y370 VanDerWaalsContact CG2-CE2 3.46Å; I98-V378 HydrophobicContact CD1-CG1 4.34Å; I98-V378 HydrophobicContact CG2-CG1 3.92Å
99	W	95.8	Very high	90.4	Very high	2 Å²	2	53 Å²	53	1%	0.008	27%	0.268	C	S	.	.	H	α-helix	trans	-63.9	-50.2	177.1	-80.6	103.9	0	0	0	113	I89 D95 C96 K101 C102 L103 L129 S132 Y133 R136 T367 P369	I89-W99 HydrophobicContact CD1-CB 3.54Å; I89-W99 HydrophobicContact CD1-CD2 3.69Å; I89-W99 HydrophobicContact CD1-CE3 3.93Å; I89-W99 HydrophobicContact CD1-CG 3.53Å; I89-W99 HydrophobicContact CG1-CB 4.29Å; D95-W99 VanDerWaalsContact O-CD1 3.24Å; D95-W99 PolarHBondContact O-N 3.05Å; D95-W99 PolarHBondContact OD2-NE1 3.31Å; C96-W99 PolarHBondContact O-N 2.95Å; W99-K101 VanDerWaalsContact C-N 3.34Å; W99-K101 PolarHBondContact O-N 2.92Å; W99-C102 PolarHBondContact O-N 2.94Å; W99-L103 PolarHBondContact O-N 3.37Å; W99-L129 HydrophobicContact CZ3-CD1 4.16Å; W99-S132 WeakPolarHBondContact CH2-O 3.35Å; W99-Y133 HydrophobicContact CE3-CD2 4.24Å; W99-Y133 VanDerWaalsContact CZ3-CA 3.48Å; W99-Y133 HydrophobicContact CZ3-CD2 4.32Å; W99-R136 HydrophobicContact CD2-CB 4.39Å; W99-R136 HydrophobicContact CD2-CG 4.11Å; W99-R136 HydrophobicContact CG-CG 4.29Å; W99-R136 HydrophobicContact CH2-CB 4.15Å; W99-R136 HydrophobicContact CZ2-CB 3.7Å; W99-R136 HydrophobicContact CZ2-CG 4.06Å; W99-T367 VanDerWaalsContact CZ2-O 3.23Å; W99-T367 WeakPolarHBondContact CZ2-O 3.44Å; W99-P369 HydrophobicContact CD2-CG 4Å; W99-P369 HydrophobicContact CE3-CB 3.83Å; W99-P369 HydrophobicContact CE3-CG 3.64Å; W99-P369 HydrophobicContact CH2-CB 3.82Å; W99-P369 HydrophobicContact CH2-CG 4.24Å; W99-P369 HydrophobicContact CZ3-CB 3.43Å; W99-P369 VanDerWaalsContact CZ3-CB 3.43Å; W99-P369 HydrophobicContact CZ3-CG 3.79Å
100	N	95.7	Very high	89.6	Confident	31 Å²	31	53.2 Å²	53.2	17%	0.166	27%	0.269	C	S	.	.	H	α-helix	trans	-65.8	-39.2	-178.2	-73.2	-19.8	0	0	0	111.6	L88 I89 C96 Q97 L103 E104	L88-N100 WeakPolarHBondContact CA-OD1 3.34Å; L88-N100 WeakPolarHBondContact CB-OD1 3.4Å; L88-N100 HydrophobicContact CD2-CB 4.05Å; I89-N100 PolarHBondContact N-OD1 3.37Å; I89-N100 PolarHBondContact O-ND2 3.22Å; C96-N100 WeakPolarHBondContact O-CB 3.34Å; C96-N100 VanDerWaalsContact O-CG 3.31Å; C96-N100 PolarHBondContact O-N 2.83Å; C96-N100 PolarHBondContact O-ND2 3.4Å; Q97-N100 PolarHBondContact O-N 3.23Å; N100-L103 PolarHBondContact O-N 2.92Å; N100-E104 WeakPolarHBondContact O-CB 3.41Å; N100-E104 WeakPolarHBondContact O-CG 3.45Å; N100-E104 PolarHBondContact O-N 3.13Å
101	K	94.1	Very high	89	Confident	129 Å²	129	56.8 Å²	56.8	56%	0.561	28%	0.277	S	S	*	.	H	α-helix	trans	-60	-48.5	172.8	-179.4	175.3	173.5	179.2	0	111.6	Q97 W99 L103 E104 E105	Q97-K101 WeakPolarHBondContact O-CB 3.44Å; Q97-K101 PolarHBondContact O-N 3.43Å; W99-K101 VanDerWaalsContact C-N 3.34Å; W99-K101 PolarHBondContact O-N 2.92Å; K101-L103 VanDerWaalsContact C-N 3.33Å; K101-L103 PolarHBondContact O-N 2.99Å; K101-E104 PolarHBondContact O-N 2.88Å; K101-E105 WeakPolarHBondContact CE-OE1 3.44Å; K101-E105 HydrophobicContact CG-CG 4.47Å; K101-E105 IonicContact NZ-OE1 3.99Å; K101-E105 WeakPolarHBondContact O-CB 3.49Å; K101-E105 WeakPolarHBondContact O-CG 3.35Å; K101-E105 PolarHBondContact O-N 3.46Å
102	C	93.5	Very high	88.2	Confident	16 Å²	16	63.3 Å²	63.3	11%	0.108	31%	0.309	C	S	.	.	H	α-helix	trans	-58.3	-45.5	178.3	-174.4	0	0	0	0	112	I98 W99 E105 Y106 P369 Y370	I98-C102 WeakPolarHBondContact O-CB 3.24Å; I98-C102 PolarHBondContact O-N 3.16Å; W99-C102 PolarHBondContact O-N 2.94Å; C102-E105 PolarHBondContact O-N 3.2Å; C102-Y106 PolarHBondContact O-N 3.34Å; C102-P369 HydrophobicContact CB-CG 3.68Å; C102-Y370 WeakPolarHBondContact CA-OH 3.49Å; C102-Y370 HydrophobicContact CB-CE1 4.19Å; C102-Y370 HydrophobicContact CB-CE2 3.93Å; C102-Y370 WeakPolarHBondContact CB-OH 3.19Å; C102-Y370 PolarHBondContact N-OH 3.06Å
103	L	93.6	Very high	87.4	Confident	2 Å²	2	66 Å²	66	1%	0.01	32%	0.319	C	S	.	.	H	α-helix	trans	-67.8	-38	-179.9	-178.5	58.3	0	0	0	112.4	L86 T87 L88 W99 N100 K101 K107 A120 Y133	L86-L103 HydrophobicContact CB-CD1 3.87Å; L86-L103 HydrophobicContact CB-CD2 3.93Å; L86-L103 HydrophobicContact CD2-CD1 4.1Å; T87-L103 WeakPolarHBondContact O-CD2 3.28Å; L88-L103 HydrophobicContact CD2-CD2 4.33Å; W99-L103 PolarHBondContact O-N 3.37Å; N100-L103 PolarHBondContact O-N 2.92Å; K101-L103 VanDerWaalsContact C-N 3.33Å; K101-L103 PolarHBondContact O-N 2.99Å; L103-K107 HydrophobicContact CG-CD 4.31Å; L103-K107 WeakPolarHBondContact O-CB 3.48Å; L103-K107 VanDerWaalsContact O-CG 3.26Å; L103-K107 WeakPolarHBondContact O-CG 3.39Å; L103-K107 PolarHBondContact O-N 3.47Å; L103-A120 HydrophobicContact CD1-CB 4.19Å; L103-Y133 HydrophobicContact CD2-CE2 4.35Å
104	E	92.9	Very high	86.2	Confident	66 Å²	66	68.4 Å²	68.4	31%	0.308	33%	0.328	S	S	.	.	H	α-helix	trans	-67	-44.6	174.8	-76.3	-67.3	155.3	0	0	112	L88 N100 K101 Y106 K107 Q108	L88-E104 HydrophobicContact CD2-CG 4.27Å; N100-E104 WeakPolarHBondContact O-CB 3.41Å; N100-E104 WeakPolarHBondContact O-CG 3.45Å; N100-E104 PolarHBondContact O-N 3.13Å; K101-E104 PolarHBondContact O-N 2.88Å; E104-Y106 VanDerWaalsContact C-N 3.31Å; E104-Y106 PolarHBondContact O-N 2.98Å; E104-K107 PolarHBondContact O-N 3.08Å; E104-Q108 VanDerWaalsContact O-CG 3.27Å; E104-Q108 WeakPolarHBondContact O-CG 3.47Å; E104-Q108 PolarHBondContact O-N 3.28Å
105	E	90.1	Very high	84.5	Confident	52 Å²	52	72 Å²	72	24%	0.243	34%	0.342	C	S	.	.	H	α-helix	trans	-54.6	-49.2	173.5	-75.8	176.1	-174.2	0	0	110.3	K101 C102 K107 Q108 E109 R374	K101-E105 WeakPolarHBondContact CE-OE1 3.44Å; K101-E105 HydrophobicContact CG-CG 4.47Å; K101-E105 IonicContact NZ-OE1 3.99Å; K101-E105 WeakPolarHBondContact O-CB 3.49Å; K101-E105 WeakPolarHBondContact O-CG 3.35Å; K101-E105 PolarHBondContact O-N 3.46Å; C102-E105 PolarHBondContact O-N 3.2Å; E105-K107 PolarHBondContact O-N 3.14Å; E105-Q108 WeakPolarHBondContact O-CB 3.46Å; E105-Q108 PolarHBondContact O-N 3.16Å; E105-E109 WeakPolarHBondContact O-CG 3.38Å; E105-E109 PolarHBondContact O-N 3.49Å; E105-R374 IonicContact OE2-NH2 3.38Å; E105-R374 PolarHBondContact OE2-NH2 3.22Å
106	Y	87.9	Confident	82.6	Confident	38 Å²	38	79.4 Å²	79.4	15%	0.149	39%	0.386	C	S	.	.	H	α-helix	trans	-63.6	-41.4	178	-177.1	-100.4	0	0	0	113.1	C102 E104 Q108 E109 A110 A120 T124 C125 P126 L129	C102-Y106 PolarHBondContact O-N 3.34Å; E104-Y106 VanDerWaalsContact C-N 3.31Å; E104-Y106 PolarHBondContact O-N 2.98Å; Y106-Q108 VanDerWaalsContact C-N 3.27Å; Y106-Q108 PolarHBondContact O-N 3.08Å; Y106-E109 PolarHBondContact O-N 3.01Å; Y106-A110 HydrophobicContact CE1-CB 4.44Å; Y106-A110 VanDerWaalsContact O-CB 3.31Å; Y106-A110 WeakPolarHBondContact O-CB 3.18Å; Y106-A110 PolarHBondContact O-N 3.26Å; Y106-A120 HydrophobicContact CD1-CB 3.67Å; Y106-A120 HydrophobicContact CE1-CB 3.8Å; Y106-T124 PolarHBondContact OH-O 3.29Å; Y106-C125 HydrophobicContact CE1-CB 4.26Å; Y106-C125 VanDerWaalsContact CE1-SG 3.53Å; Y106-P126 HydrophobicContact CD2-CG 4.15Å; Y106-P126 HydrophobicContact CE2-CG 3.73Å; Y106-P126 VanDerWaalsContact CZ-CD 3.42Å; Y106-L129 HydrophobicContact CD1-CD2 4.45Å; Y106-L129 HydrophobicContact CG-CD2 4.25Å
107	K	87.8	Confident	80.7	Confident	35 Å²	35	81.8 Å²	81.8	15%	0.152	41%	0.414	C	S	.	.	H	α-helix	trans	-61.1	-37.6	175.3	-79.7	173.3	178.8	178.5	0	111.7	L86 L103 E104 E105 R111 A120	L86-K107 WeakPolarHBondContact O-CE 2.92Å; L86-K107 PolarHBondContact O-NZ 2.88Å; L103-K107 HydrophobicContact CG-CD 4.31Å; L103-K107 WeakPolarHBondContact O-CB 3.48Å; L103-K107 VanDerWaalsContact O-CG 3.26Å; L103-K107 WeakPolarHBondContact O-CG 3.39Å; L103-K107 PolarHBondContact O-N 3.47Å; E104-K107 PolarHBondContact O-N 3.08Å; E105-K107 PolarHBondContact O-N 3.14Å; K107-R111 WeakPolarHBondContact O-CD 3.45Å; K107-R111 WeakPolarHBondContact O-CG 3.43Å; K107-R111 PolarHBondContact O-N 2.94Å; K107-R111 VanDerWaalsContact O-N 3.17Å; K107-A120 HydrophobicContact CG-CB 3.58Å
108	Q	85.3	Confident	79.5	Confident	109 Å²	109	75.9 Å²	75.9	51%	0.509	39%	0.392	S	S	.	.	H	α-helix	trans	-68.8	-47.7	177.2	-69.9	170.6	21.2	0	0	111.1	E104 E105 Y106 A110 R111 L112	E104-Q108 VanDerWaalsContact O-CG 3.27Å; E104-Q108 WeakPolarHBondContact O-CG 3.47Å; E104-Q108 PolarHBondContact O-N 3.28Å; E105-Q108 WeakPolarHBondContact O-CB 3.46Å; E105-Q108 PolarHBondContact O-N 3.16Å; Y106-Q108 VanDerWaalsContact C-N 3.27Å; Y106-Q108 PolarHBondContact O-N 3.08Å; Q108-A110 PolarHBondContact O-N 3.19Å; Q108-R111 PolarHBondContact O-N 2.54Å; Q108-L112 WeakPolarHBondContact O-CG 3.06Å; Q108-L112 PolarHBondContact O-N 2.86Å; Q108-L112 VanDerWaalsContact O-N 3.14Å
109	E	81.4	Confident	78.8	Confident	105 Å²	105	79.5 Å²	79.5	49%	0.491	41%	0.408	S	S	.	.	H	α-helix	trans	-58.7	-45.7	175.9	-72.1	175.3	-174.1	0	0	111.8	E105 Y106 R111 L112 I113	E105-E109 WeakPolarHBondContact O-CG 3.38Å; E105-E109 PolarHBondContact O-N 3.49Å; Y106-E109 PolarHBondContact O-N 3.01Å; E109-R111 VanDerWaalsContact C-N 3.31Å; E109-R111 PolarHBondContact O-N 3.26Å; E109-L112 PolarHBondContact O-N 2.94Å; E109-L112 VanDerWaalsContact O-N 3.13Å; E109-I113 WeakPolarHBondContact O-CG1 3.3Å; E109-I113 PolarHBondContact O-N 3.48Å
110	A	77.3	Confident	78.5	Confident	5 Å²	5	79.4 Å²	79.4	4%	0.041	41%	0.408	C	S	.	.	H	α-helix	trans	-60.9	-38.2	177.8	0	0	0	0	0	112.5	Y106 Q108 L112 I113 F114	Y106-A110 HydrophobicContact CE1-CB 4.44Å; Y106-A110 VanDerWaalsContact O-CB 3.31Å; Y106-A110 WeakPolarHBondContact O-CB 3.18Å; Y106-A110 PolarHBondContact O-N 3.26Å; Q108-A110 PolarHBondContact O-N 3.19Å; A110-L112 VanDerWaalsContact C-N 3.32Å; A110-L112 PolarHBondContact O-N 3.45Å; A110-I113 PolarHBondContact O-N 3.01Å; A110-F114 HydrophobicContact CB-CD2 4.37Å; A110-F114 WeakPolarHBondContact O-CB 3.47Å; A110-F114 VanDerWaalsContact O-CD2 3.31Å; A110-F114 WeakPolarHBondContact O-CD2 3.48Å; A110-F114 PolarHBondContact O-N 3.44Å
111	R	78.2	Confident	78.4	Confident	163 Å²	163	78.6 Å²	78.6	62%	0.615	40%	0.403	S	S	*	.	H	α-helix	trans	-69.4	-26.6	176.4	-73.9	168.4	-177.4	174.6	2.6	113.6	K107 Q108 E109 F114	K107-R111 WeakPolarHBondContact O-CD 3.45Å; K107-R111 WeakPolarHBondContact O-CG 3.43Å; K107-R111 PolarHBondContact O-N 2.94Å; K107-R111 VanDerWaalsContact O-N 3.17Å; Q108-R111 PolarHBondContact O-N 2.54Å; E109-R111 VanDerWaalsContact C-N 3.31Å; E109-R111 PolarHBondContact O-N 3.26Å; R111-F114 VanDerWaalsContact O-O 3.12Å
112	L	72.4	Confident	78.5	Confident	154 Å²	154	72.6 Å²	72.6	81%	0.806	38%	0.377	S	S	*	.	H	α-helix	trans	-79.7	-35.2	176.6	-69.3	172	0	0	0	111.7	Q108 E109 A110	Q108-L112 WeakPolarHBondContact O-CG 3.06Å; Q108-L112 PolarHBondContact O-N 2.86Å; Q108-L112 VanDerWaalsContact O-N 3.14Å; E109-L112 PolarHBondContact O-N 2.94Å; E109-L112 VanDerWaalsContact O-N 3.13Å; A110-L112 VanDerWaalsContact C-N 3.32Å; A110-L112 PolarHBondContact O-N 3.45Å
113	I	66.5	Low	78.6	Confident	126 Å²	126	73.6 Å²	73.6	65%	0.646	38%	0.38	S	S	*	.	H	α-helix	trans	-83.1	-40.1	-177	-65.1	167.6	0	0	0	111.8	E109 A110	E109-I113 WeakPolarHBondContact O-CG1 3.3Å; E109-I113 PolarHBondContact O-N 3.48Å; A110-I113 PolarHBondContact O-N 3.01Å
114	F	60.7	Low	78.5	Confident	94 Å²	94	75.7 Å²	75.7	41%	0.412	39%	0.393	S	S	.	.	S	Bend	trans	-105.7	143.9	-176.9	-59.3	-72.2	0	0	0	110.8	A110 R111 A118	A110-F114 HydrophobicContact CB-CD2 4.37Å; A110-F114 WeakPolarHBondContact O-CB 3.47Å; A110-F114 VanDerWaalsContact O-CD2 3.31Å; A110-F114 WeakPolarHBondContact O-CD2 3.48Å; A110-F114 PolarHBondContact O-N 3.44Å; R111-F114 VanDerWaalsContact O-O 3.12Å; F114-A118 HydrophobicContact CB-CB 3.34Å; F114-A118 HydrophobicContact CD2-CB 4.06Å; F114-A118 HydrophobicContact CG-CB 3.96Å
115	L	51	Low	78.5	Confident	167 Å²	167	72.6 Å²	72.6	87%	0.874	38%	0.379	S	S	*	.			trans	-50.8	150.6	173.8	-73.7	163.6	0	0	0	111.2	G117 A118	L115-G117 PolarHBondContact O-N 3.07Å; L115-G117 VanDerWaalsContact O-N 3.14Å; L115-A118 PolarHBondContact O-N 3.44Å
116	V	51.1	Low	78.7	Confident	156 Å²	156	71.4 Å²	71.4	95%	0.945	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-36.5	116.5	179.7	-179.6	0	0	0	0	111.5
117	G	54.4	Low	79.1	Confident	67 Å²	67	69.7 Å²	69.7	69%	0.691	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	121.4	-6	176.7	0	0	0	0	0	116	L115 E119	L115-G117 PolarHBondContact O-N 3.07Å; L115-G117 VanDerWaalsContact O-N 3.14Å; G117-E119 PolarHBondContact O-N 3.39Å
118	A	66.4	Low	79.5	Confident	31 Å²	31	68.4 Å²	68.4	26%	0.256	36%	0.363	S	S	.	.			trans	-68.2	117.5	173.8	0	0	0	0	0	111.7	F114 L115	F114-A118 HydrophobicContact CB-CB 3.34Å; F114-A118 HydrophobicContact CD2-CB 4.06Å; F114-A118 HydrophobicContact CG-CB 3.96Å; L115-A118 PolarHBondContact O-N 3.44Å
119	E	79.3	Confident	80	Confident	121 Å²	121	63.7 Å²	63.7	57%	0.565	34%	0.342	S	S	*	.			trans	-100	146.2	176.4	-61.1	-169.1	118.3	0	0	111	P85 G117 T121 T124	P85-E119 HydrophobicContact CB-CB 4.21Å; P85-E119 HydrophobicContact CG-CB 3.83Å; P85-E119 HydrophobicContact CG-CG 4.15Å; P85-E119 WeakPolarHBondContact CG-OE2 3.36Å; G117-E119 PolarHBondContact O-N 3.39Å; E119-T121 HydrophobicContact CB-CG2 4.02Å; E119-T121 PolarHBondContact O-N 3.17Å; E119-T121 VanDerWaalsContact O-N 3.13Å; E119-T124 PolarHBondContact O-OG1 2.85Å
120	A	89.4	Confident	80.7	Confident	1 Å²	1	58.7 Å²	58.7	1%	0.008	32%	0.319	C	S	.	.			trans	-74.9	95.9	169.7	0	0	0	0	0	108.7	P85 L86 L103 Y106 K107	P85-A120 CarbonylContact C-O 3.58Å; P85-A120 WeakPolarHBondContact CA-O 3.34Å; L86-A120 PolarHBondContact N-O 2.94Å; L103-A120 HydrophobicContact CD1-CB 4.19Å; Y106-A120 HydrophobicContact CD1-CB 3.67Å; Y106-A120 HydrophobicContact CE1-CB 3.8Å; K107-A120 HydrophobicContact CG-CB 3.58Å
121	T	94.2	Very high	81.7	Confident	13 Å²	13	58.6 Å²	58.6	8%	0.08	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-109.3	173.9	-175.3	67.4	0	0	0	0	111	D83 P85 L86 E119 F123 T124 C125	D83-T121 WeakPolarHBondContact OD1-CB 3.26Å; D83-T121 PolarHBondContact OD1-OG1 3.49Å; P85-T121 HydrophobicContact CG-CG2 4.39Å; L86-T121 WeakPolarHBondContact CD1-O 3.48Å; E119-T121 HydrophobicContact CB-CG2 4.02Å; E119-T121 PolarHBondContact O-N 3.17Å; E119-T121 VanDerWaalsContact O-N 3.13Å; T121-F123 PolarHBondContact O-N 3.18Å; T121-T124 PolarHBondContact N-OG1 3.17Å; T121-T124 PolarHBondContact O-N 3.08Å; T121-T124 WeakPolarHBondContact OG1-CB 3.29Å; T121-T124 WeakPolarHBondContact OG1-CG2 3.32Å; T121-T124 PolarHBondContact OG1-N 3.49Å; T121-T124 VanDerWaalsContact OG1-N 3.16Å; T121-T124 PolarHBondContact OG1-OG1 3.35Å; T121-C125 WeakPolarHBondContact O-CB 3.32Å; T121-C125 PolarHBondContact O-N 2.97Å; T121-C125 VanDerWaalsContact O-N 3.08Å; T121-C125 PolarHBondContact O-SG 3.43Å
122	W	95.6	Very high	82.6	Confident	3 Å²	3	50.9 Å²	50.9	1%	0.011	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-32.8	179.4	-66.8	93.4	0	0	0	111.8	V32 L76 L80 D83 K84 L86 C130 Y133 F134	V32-W122 HydrophobicContact CG1-CB 3.99Å; L76-W122 HydrophobicContact CD1-CH2 3.85Å; L76-W122 HydrophobicContact CD1-CZ2 3.62Å; L80-W122 HydrophobicContact CB-CD2 4.26Å; L80-W122 HydrophobicContact CB-CZ2 4.46Å; L80-W122 HydrophobicContact CD1-CB 4.09Å; L80-W122 HydrophobicContact CD1-CD2 3.55Å; L80-W122 HydrophobicContact CD1-CE3 3.47Å; L80-W122 VanDerWaalsContact CD1-CE3 3.47Å; L80-W122 HydrophobicContact CD1-CG 3.83Å; L80-W122 HydrophobicContact CD1-CZ3 4.13Å; D83-W122 PolarHBondContact OD1-N 3.26Å; K84-W122 PolarHBondContact O-NE1 2.91Å; L86-W122 HydrophobicContact CD1-CD2 4.14Å; L86-W122 HydrophobicContact CD1-CG 4.1Å; W122-C130 VanDerWaalsContact CE3-SG 3.53Å; W122-C130 PolarHBondContact O-SG 2.91Å; W122-Y133 AromaticContact CH2-CD1 3.55Å; W122-Y133 HydrophobicContact CH2-CD1 3.55Å; W122-Y133 AromaticContact CH2-CE1 3.66Å; W122-Y133 HydrophobicContact CH2-CE1 3.66Å; W122-Y133 HydrophobicContact CZ2-CD1 4.19Å; W122-Y133 AromaticContact CZ2-CE1 3.86Å; W122-Y133 HydrophobicContact CZ2-CE1 3.86Å; W122-Y133 AromaticContact CZ3-CD1 3.91Å; W122-Y133 HydrophobicContact CZ3-CD1 3.91Å; W122-Y133 HydrophobicContact CZ3-CE1 4.41Å; W122-F134 HydrophobicContact CH2-CB 4.34Å; W122-F134 HydrophobicContact CZ3-CB 3.92Å; W122-F134 HydrophobicContact CZ3-CD2 4.43Å
123	F	94.5	Very high	83.8	Confident	37 Å²	37	43.7 Å²	43.7	16%	0.162	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-21	-179.7	-75.1	-108	0	0	0	113.7	C20 A21 K22 Y29 V32 K33 D83 T121	C20-F123 PolarHBondContact SG-O 3.47Å; A21-F123 CarbonylContact C-O 3.53Å; A21-F123 HydrophobicContact CB-CB 4.39Å; A21-F123 HydrophobicContact CB-CD1 3.85Å; A21-F123 HydrophobicContact CB-CE1 4.39Å; A21-F123 HydrophobicContact CB-CG 4.2Å; K22-F123 WeakPolarHBondContact CB-O 3.37Å; K22-F123 PolarHBondContact N-O 3.37Å; Y29-F123 HydrophobicContact CD2-CD1 4.06Å; Y29-F123 AromaticContact CD2-CE1 3.65Å; Y29-F123 HydrophobicContact CD2-CE1 3.65Å; Y29-F123 HydrophobicContact CE2-CD1 4.26Å; Y29-F123 AromaticContact CE2-CE1 3.68Å; Y29-F123 HydrophobicContact CE2-CE1 3.68Å; V32-F123 HydrophobicContact CG1-CD2 3.88Å; V32-F123 HydrophobicContact CG1-CE1 4.47Å; V32-F123 HydrophobicContact CG1-CE2 3.61Å; V32-F123 HydrophobicContact CG1-CG 4.46Å; V32-F123 HydrophobicContact CG1-CZ 3.94Å; K33-F123 HydrophobicContact CB-CE1 4.28Å; K33-F123 HydrophobicContact CB-CZ 3.99Å; K33-F123 HydrophobicContact CG-CZ 4.47Å; D83-F123 HydrophobicContact CB-CD2 3.85Å; D83-F123 HydrophobicContact CB-CE2 4.33Å; D83-F123 VanDerWaalsContact CG-CD2 3.46Å; D83-F123 VanDerWaalsContact OD1-CD2 3.26Å; D83-F123 WeakPolarHBondContact OD1-CD2 3.5Å; D83-F123 PolarHBondContact OD1-N 2.86Å; T121-F123 PolarHBondContact O-N 3.18Å
124	T	92.2	Very high	85.3	Confident	47 Å²	47	37.7 Å²	37.7	29%	0.288	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-26.7	-178	59.2	0	0	0	0	114.3	C20 Y106 E119 T121	C20-T124 VanDerWaalsContact SG-C 3.51Å; C20-T124 PolarHBondContact SG-O 2.85Å; Y106-T124 PolarHBondContact OH-O 3.29Å; E119-T124 PolarHBondContact O-OG1 2.85Å; T121-T124 PolarHBondContact N-OG1 3.17Å; T121-T124 PolarHBondContact O-N 3.08Å; T121-T124 WeakPolarHBondContact OG1-CB 3.29Å; T121-T124 WeakPolarHBondContact OG1-CG2 3.32Å; T121-T124 PolarHBondContact OG1-N 3.49Å; T121-T124 VanDerWaalsContact OG1-N 3.16Å; T121-T124 PolarHBondContact OG1-OG1 3.35Å
125	C	92.9	Very high	87.1	Confident	1 Å²	1	33.5 Å²	33.5	1%	0.007	20%	0.201	C	C	.	.	S	Bend	trans	-65.6	151.4	176.9	-73.3	0	0	0	0	112.8	C20 Y106 T121 W127 L129 C130	C20-C125 PolarHBondContact SG-O 3.17Å; Y106-C125 HydrophobicContact CE1-CB 4.26Å; Y106-C125 VanDerWaalsContact CE1-SG 3.53Å; T121-C125 WeakPolarHBondContact O-CB 3.32Å; T121-C125 PolarHBondContact O-N 2.97Å; T121-C125 VanDerWaalsContact O-N 3.08Å; T121-C125 PolarHBondContact O-SG 3.43Å; C125-W127 PolarHBondContact O-N 2.96Å; C125-L129 HydrophobicContact CB-CD2 4.44Å; C125-C130 HydrophobicContact CB-CB 4.15Å
126	P	94.3	Very high	89.3	Confident	27 Å²	27	25.7 Å²	25.7	18%	0.175	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-51.8	140	166.3	-27.1	34.5	0	0	0	110.8	P18 Y106 L128 L129 C130	P18-P126 HydrophobicContact CB-CB 3.94Å; P18-P126 HydrophobicContact CB-CG 4.2Å; Y106-P126 HydrophobicContact CD2-CG 4.15Å; Y106-P126 HydrophobicContact CE2-CG 3.73Å; Y106-P126 VanDerWaalsContact CZ-CD 3.42Å; P126-L128 PolarHBondContact O-N 2.88Å; P126-L129 HydrophobicContact CB-CB 4.44Å; P126-L129 PolarHBondContact O-N 3.37Å; P126-L129 VanDerWaalsContact O-N 3.16Å; P126-C130 WeakPolarHBondContact O-CB 3.34Å; P126-C130 PolarHBondContact O-N 2.86Å
127	W	96.3	Very high	91.5	Very high	2 Å²	2	19.5 Å²	19.5	1%	0.008	12%	0.12	C	C	.	.	H	α-helix	trans	-61.7	-44.1	-172.7	-176.7	26.7	0	0	0	112	L19 F27 A28 T31 C125 L129 C130 E131 R401 A435	L19-W127 HydrophobicContact CB-CB 4.2Å; L19-W127 HydrophobicContact CB-CE3 4.04Å; L19-W127 HydrophobicContact CD1-CE3 3.8Å; L19-W127 HydrophobicContact CD1-CZ3 3.99Å; L19-W127 VanDerWaalsContact O-CB 3.29Å; L19-W127 WeakPolarHBondContact O-CB 3.35Å; L19-W127 PolarHBondContact O-N 3.35Å; F27-W127 AromaticContact CD1-CH2 3.48Å; F27-W127 HydrophobicContact CD1-CH2 3.48Å; F27-W127 VanDerWaalsContact CD1-CH2 3.48Å; F27-W127 AromaticContact CD1-CZ2 3.97Å; F27-W127 HydrophobicContact CD1-CZ2 3.97Å; F27-W127 HydrophobicContact CD1-CZ3 4.36Å; F27-W127 HydrophobicContact CE1-CH2 4.13Å; F27-W127 HydrophobicContact CE1-CZ2 4.38Å; F27-W127 HydrophobicContact CG-CH2 4.35Å; A28-W127 HydrophobicContact CB-CB 3.64Å; A28-W127 HydrophobicContact CB-CD2 3.53Å; A28-W127 HydrophobicContact CB-CE3 3.95Å; A28-W127 HydrophobicContact CB-CG 3.37Å; T31-W127 HydrophobicContact CG2-CZ2 4.1Å; T31-W127 WeakPolarHBondContact OG1-CZ2 3.44Å; C125-W127 PolarHBondContact O-N 2.96Å; W127-L129 VanDerWaalsContact C-N 3.29Å; W127-L129 PolarHBondContact O-N 3.27Å; W127-C130 PolarHBondContact O-N 3.41Å; W127-E131 VanDerWaalsContact CE2-OE2 3.26Å; W127-E131 WeakPolarHBondContact CZ2-OE2 3.31Å; W127-E131 PolarHBondContact NE1-OE2 3.39Å; W127-E131 WeakPolarHBondContact O-CB 3.22Å; W127-E131 PolarHBondContact O-N 2.96Å; W127-R401 VanDerWaalsContact CD2-NH2 3.27Å; W127-R401 VanDerWaalsContact CE2-NH2 3.3Å; W127-R401 VanDerWaalsContact CH2-CZ 3.46Å; W127-A435 HydrophobicContact CH2-CB 3.97Å; W127-A435 HydrophobicContact CZ3-CB 3.97Å
128	L	96.7	Very high	93.5	Very high	7 Å²	7	16.3 Å²	16.3	4%	0.037	9%	0.087	C	C	.	.	H	α-helix	trans	-53.8	-45.4	175.3	-176.5	60.4	0	0	0	112.3	P126 S132 P371 K402 D406	P126-L128 PolarHBondContact O-N 2.88Å; L128-S132 WeakPolarHBondContact O-CB 3.29Å; L128-S132 PolarHBondContact O-N 2.76Å; L128-S132 PolarHBondContact O-OG 3.48Å; L128-P371 HydrophobicContact CD2-CB 4.1Å; L128-K402 HydrophobicContact CD1-CG 3.8Å; L128-K402 HydrophobicContact CD2-CG 4.27Å; L128-D406 WeakPolarHBondContact CA-OD2 3.1Å; L128-D406 HydrophobicContact CB-CB 3.99Å; L128-D406 WeakPolarHBondContact CB-OD2 3.33Å; L128-D406 PolarHBondContact N-OD2 2.75Å; L128-D406 VanDerWaalsContact N-OD2 3.11Å
129	L	96	Very high	94.8	Very high	10 Å²	10	15.2 Å²	15.2	5%	0.052	8%	0.077	C	C	.	.	H	α-helix	trans	-65.7	-51.8	176.7	170.3	60	0	0	0	110.6	W99 Y106 C125 P126 W127 Y133 P369	W99-L129 HydrophobicContact CZ3-CD1 4.16Å; Y106-L129 HydrophobicContact CD1-CD2 4.45Å; Y106-L129 HydrophobicContact CG-CD2 4.25Å; C125-L129 HydrophobicContact CB-CD2 4.44Å; P126-L129 HydrophobicContact CB-CB 4.44Å; P126-L129 PolarHBondContact O-N 3.37Å; P126-L129 VanDerWaalsContact O-N 3.16Å; W127-L129 VanDerWaalsContact C-N 3.29Å; W127-L129 PolarHBondContact O-N 3.27Å; L129-Y133 WeakPolarHBondContact O-CB 3.39Å; L129-Y133 PolarHBondContact O-N 3.29Å; L129-P369 HydrophobicContact CD1-CB 3.53Å; L129-P369 HydrophobicContact CD1-CG 4.35Å
130	C	95.6	Very high	95.5	Very high	1 Å²	1	10.4 Å²	10.4	1%	0.007	6%	0.055	C	C	.	.	H	α-helix	trans	-60.8	-50.2	-174.8	179.1	0	0	0	0	112.7	W122 C125 P126 W127 Y133 F134	W122-C130 VanDerWaalsContact CE3-SG 3.53Å; W122-C130 PolarHBondContact O-SG 2.91Å; C125-C130 HydrophobicContact CB-CB 4.15Å; P126-C130 WeakPolarHBondContact O-CB 3.34Å; P126-C130 PolarHBondContact O-N 2.86Å; W127-C130 PolarHBondContact O-N 3.41Å; C130-Y133 PolarHBondContact O-N 3.08Å; C130-F134 PolarHBondContact O-N 3.22Å
131	E	97.7	Very high	95.6	Very high	3 Å²	3	10.6 Å²	10.6	1%	0.014	6%	0.056	C	C	.	.	H	α-helix	trans	-69.4	-41.6	-179.3	-174.5	172.9	-154.3	0	0	111.5	T31 L36 W127 Y133 F134 Y135 Y318 R401	T31-E131 HydrophobicContact CG2-CG 4.48Å; T31-E131 WeakPolarHBondContact CG2-OE1 3.18Å; L36-E131 HydrophobicContact CD2-CG 4.3Å; W127-E131 VanDerWaalsContact CE2-OE2 3.26Å; W127-E131 WeakPolarHBondContact CZ2-OE2 3.31Å; W127-E131 PolarHBondContact NE1-OE2 3.39Å; W127-E131 WeakPolarHBondContact O-CB 3.22Å; W127-E131 PolarHBondContact O-N 2.96Å; E131-Y133 VanDerWaalsContact C-N 3.32Å; E131-Y133 PolarHBondContact O-N 3.02Å; E131-F134 VanDerWaalsContact O-CB 3.31Å; E131-F134 WeakPolarHBondContact O-CB 3.27Å; E131-F134 PolarHBondContact O-N 2.98Å; E131-Y135 HydrophobicContact CG-CE2 4.05Å; E131-Y135 WeakPolarHBondContact O-CD2 3.38Å; E131-Y318 HydrophobicContact CG-CE1 3.74Å; E131-Y318 WeakPolarHBondContact CG-OH 3.5Å; E131-Y318 WeakPolarHBondContact OE1-CE1 3.44Å; E131-Y318 PolarHBondContact OE2-OH 3.27Å; E131-R401 IonicContact OE2-CZ 3.76Å; E131-R401 VanDerWaalsContact OE2-CZ 3.27Å; E131-R401 IonicContact OE2-NH1 3.69Å; E131-R401 PolarHBondContact OE2-NH1 3.02Å; E131-R401 IonicContact OE2-NH2 3.67Å; E131-R401 PolarHBondContact OE2-NH2 3.36Å
132	S	97.7	Very high	95.5	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-65.5	-39.3	176	-57.1	0	0	0	0	111.6	W99 L128 F134 Y135 R136 Y317	W99-S132 WeakPolarHBondContact CH2-O 3.35Å; L128-S132 WeakPolarHBondContact O-CB 3.29Å; L128-S132 PolarHBondContact O-N 2.76Å; L128-S132 PolarHBondContact O-OG 3.48Å; S132-F134 VanDerWaalsContact C-N 3.3Å; S132-F134 PolarHBondContact O-N 3.31Å; S132-Y135 PolarHBondContact O-N 2.9Å; S132-R136 PolarHBondContact O-N 3.03Å; S132-R136 VanDerWaalsContact O-N 3.15Å; S132-Y317 VanDerWaalsContact CB-OH 3.23Å; S132-Y317 WeakPolarHBondContact CB-OH 3.47Å; S132-Y317 PolarHBondContact OG-OH 3.4Å
133	Y	97.7	Very high	95.2	Very high	4 Å²	4	10.6 Å²	10.6	2%	0.016	6%	0.055	C	C	.	.	H	α-helix	trans	-61.7	-37.9	177.3	174.7	-91.8	0	0	0	111.7	L86 T87 I89 W99 L103 W122 L129 C130 E131 Y135 R136 K137	L86-Y133 HydrophobicContact CB-CE1 4.21Å; L86-Y133 HydrophobicContact CD2-CD1 3.8Å; L86-Y133 HydrophobicContact CD2-CD2 4.32Å; L86-Y133 HydrophobicContact CD2-CE1 4.06Å; L86-Y133 HydrophobicContact CD2-CG 3.95Å; L86-Y133 HydrophobicContact CG-CD1 3.94Å; L86-Y133 HydrophobicContact CG-CE1 3.72Å; T87-Y133 PolarHBondContact N-OH 3.43Å; T87-Y133 VanDerWaalsContact N-OH 3.13Å; T87-Y133 WeakPolarHBondContact O-CE2 3.34Å; T87-Y133 PolarHBondContact O-OH 2.85Å; T87-Y133 PolarHBondContact OG1-OH 3.02Å; I89-Y133 HydrophobicContact CD1-CD2 3.9Å; I89-Y133 HydrophobicContact CD1-CE2 3.92Å; I89-Y133 HydrophobicContact CG1-CD2 4.21Å; I89-Y133 HydrophobicContact CG1-CE2 3.71Å; W99-Y133 HydrophobicContact CE3-CD2 4.24Å; W99-Y133 VanDerWaalsContact CZ3-CA 3.48Å; W99-Y133 HydrophobicContact CZ3-CD2 4.32Å; L103-Y133 HydrophobicContact CD2-CE2 4.35Å; W122-Y133 AromaticContact CH2-CD1 3.55Å; W122-Y133 HydrophobicContact CH2-CD1 3.55Å; W122-Y133 AromaticContact CH2-CE1 3.66Å; W122-Y133 HydrophobicContact CH2-CE1 3.66Å; W122-Y133 HydrophobicContact CZ2-CD1 4.19Å; W122-Y133 AromaticContact CZ2-CE1 3.86Å; W122-Y133 HydrophobicContact CZ2-CE1 3.86Å; W122-Y133 AromaticContact CZ3-CD1 3.91Å; W122-Y133 HydrophobicContact CZ3-CD1 3.91Å; W122-Y133 HydrophobicContact CZ3-CE1 4.41Å; L129-Y133 WeakPolarHBondContact O-CB 3.39Å; L129-Y133 PolarHBondContact O-N 3.29Å; C130-Y133 PolarHBondContact O-N 3.08Å; E131-Y133 VanDerWaalsContact C-N 3.32Å; E131-Y133 PolarHBondContact O-N 3.02Å; Y133-Y135 PolarHBondContact O-N 2.74Å; Y133-R136 PolarHBondContact O-N 3.45Å; Y133-K137 HydrophobicContact CD1-CG 3.82Å; Y133-K137 HydrophobicContact CD2-CG 4.42Å; Y133-K137 HydrophobicContact CE1-CD 3.97Å; Y133-K137 HydrophobicContact CE1-CG 3.32Å; Y133-K137 HydrophobicContact CE2-CD 4.02Å; Y133-K137 HydrophobicContact CE2-CG 4Å; Y133-K137 HydrophobicContact CG-CG 4.34Å; Y133-K137 VanDerWaalsContact CZ-CG 3.42Å; Y133-K137 WeakPolarHBondContact O-CG 3.36Å; Y133-K137 PolarHBondContact O-N 3.02Å; Y133-K137 WeakPolarHBondContact OH-CD 3.17Å
134	F	98.4	Very high	94.6	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-52.4	-52.2	174.3	169.8	-95.3	0	0	0	112	L36 I39 L40 L80 W122 C130 E131 S132 R136 K137 I138	L36-F134 HydrophobicContact CB-CD2 4.11Å; L36-F134 HydrophobicContact CB-CE2 3.93Å; L36-F134 HydrophobicContact CB-CZ 4.23Å; L36-F134 HydrophobicContact CD1-CB 4.09Å; L36-F134 HydrophobicContact CD1-CD2 4.15Å; L36-F134 HydrophobicContact CD1-CG 4.08Å; L36-F134 HydrophobicContact CD2-CD1 3.78Å; L36-F134 HydrophobicContact CD2-CD2 4.41Å; L36-F134 HydrophobicContact CD2-CE1 3.95Å; L36-F134 HydrophobicContact CD2-CG 4.02Å; L36-F134 HydrophobicContact CD2-CZ 4.33Å; L36-F134 HydrophobicContact CG-CD2 4.45Å; L36-F134 HydrophobicContact CG-CG 4.44Å; L36-F134 VanDerWaalsContact O-CZ 3.31Å; L36-F134 WeakPolarHBondContact O-CZ 3.47Å; I39-F134 HydrophobicContact CB-CE1 4.34Å; I39-F134 HydrophobicContact CB-CZ 4.22Å; I39-F134 HydrophobicContact CG2-CE1 3.84Å; I39-F134 HydrophobicContact CG2-CZ 4.06Å; L40-F134 HydrophobicContact CB-CE2 3.85Å; L40-F134 HydrophobicContact CB-CZ 3.8Å; L40-F134 HydrophobicContact CD1-CE2 4.39Å; L40-F134 HydrophobicContact CD1-CZ 4.42Å; L40-F134 HydrophobicContact CD2-CE2 4Å; L40-F134 HydrophobicContact CG-CE2 4.32Å; L80-F134 HydrophobicContact CD2-CD2 4.25Å; L80-F134 HydrophobicContact CD2-CE2 4.06Å; W122-F134 HydrophobicContact CH2-CB 4.34Å; W122-F134 HydrophobicContact CZ3-CB 3.92Å; W122-F134 HydrophobicContact CZ3-CD2 4.43Å; C130-F134 PolarHBondContact O-N 3.22Å; E131-F134 VanDerWaalsContact O-CB 3.31Å; E131-F134 WeakPolarHBondContact O-CB 3.27Å; E131-F134 PolarHBondContact O-N 2.98Å; S132-F134 VanDerWaalsContact C-N 3.3Å; S132-F134 PolarHBondContact O-N 3.31Å; F134-R136 VanDerWaalsContact C-N 3.34Å; F134-R136 PolarHBondContact O-N 3.44Å; F134-K137 PolarHBondContact O-N 3.44Å; F134-I138 HydrophobicContact CD1-CD1 3.97Å; F134-I138 HydrophobicContact CE1-CD1 3.43Å; F134-I138 VanDerWaalsContact CE1-CD1 3.43Å; F134-I138 HydrophobicContact CE2-CD1 4.36Å; F134-I138 HydrophobicContact CZ-CD1 3.66Å; F134-I138 PolarHBondContact O-N 3.36Å; F134-I138 VanDerWaalsContact O-N 3.1Å
135	Y	97.8	Very high	93.9	Very high	6 Å²	6	10.6 Å²	10.6	2%	0.024	5%	0.05	C	C	.	.	H	α-helix	trans	-66.1	-37.4	178.9	-65.3	-75.7	0	0	0	111.9	I39 E131 S132 Y133 K137 I138 N139 F168 Y318 V319	I39-Y135 HydrophobicContact CG2-CE1 4.37Å; E131-Y135 HydrophobicContact CG-CE2 4.05Å; E131-Y135 WeakPolarHBondContact O-CD2 3.38Å; S132-Y135 PolarHBondContact O-N 2.9Å; Y133-Y135 PolarHBondContact O-N 2.74Å; Y135-K137 VanDerWaalsContact C-N 3.33Å; Y135-K137 PolarHBondContact O-N 3.16Å; Y135-I138 HydrophobicContact CD1-CD1 4.44Å; Y135-I138 WeakPolarHBondContact O-CB 3.17Å; Y135-I138 PolarHBondContact O-N 3.09Å; Y135-N139 PolarHBondContact O-N 2.75Å; Y135-N139 PolarHBondContact O-ND2 2.66Å; Y135-F168 HydrophobicContact CD1-CE2 4.11Å; Y135-F168 AromaticContact CD1-CZ 3.96Å; Y135-F168 HydrophobicContact CD1-CZ 3.96Å; Y135-F168 HydrophobicContact CE1-CE2 4.44Å; Y135-F168 HydrophobicContact CE1-CZ 4Å; Y135-Y318 HydrophobicContact CD2-CD1 4.4Å; Y135-Y318 AromaticContact CD2-CD2 3.82Å; Y135-Y318 HydrophobicContact CD2-CD2 3.82Å; Y135-Y318 AromaticContact CD2-CE2 3.93Å; Y135-Y318 HydrophobicContact CD2-CE2 3.93Å; Y135-Y318 HydrophobicContact CD2-CG 4.05Å; Y135-Y318 AromaticContact CE2-CD1 3.61Å; Y135-Y318 HydrophobicContact CE2-CD1 3.61Å; Y135-Y318 AromaticContact CE2-CD2 3.86Å; Y135-Y318 HydrophobicContact CE2-CD2 3.86Å; Y135-Y318 AromaticContact CE2-CE1 3.83Å; Y135-Y318 HydrophobicContact CE2-CE1 3.83Å; Y135-Y318 HydrophobicContact CE2-CE2 4.03Å; Y135-Y318 AromaticContact CE2-CG 3.63Å; Y135-Y318 HydrophobicContact CE2-CG 3.63Å; Y135-Y318 VanDerWaalsContact CZ-CA 3.44Å; Y135-V319 HydrophobicContact CE1-CG2 4.37Å
136	R	97	Very high	92.7	Very high	2 Å²	2	15 Å²	15	1%	0.008	7%	0.073	C	C	.	.	H	α-helix	trans	-65.5	-34.8	176.1	-172.9	63.6	-173.9	91.3	-12.7	113.1	I89 S91 D95 W99 S132 Y133 F134 N139 E140 E143	I89-R136 HydrophobicContact CD1-CB 4.03Å; I89-R136 HydrophobicContact CD1-CG 3.38Å; I89-R136 HydrophobicContact CG2-CG 4.47Å; S91-R136 PolarHBondContact OG-NH2 3.48Å; D95-R136 IonicContact OD1-CZ 3.98Å; D95-R136 IonicContact OD1-NE 3.13Å; D95-R136 PolarHBondContact OD1-NE 2.93Å; D95-R136 IonicContact OD1-NH2 2.67Å; D95-R136 PolarHBondContact OD1-NH2 3.42Å; D95-R136 WeakPolarHBondContact OD2-CD 3.43Å; D95-R136 IonicContact OD2-CZ 2.74Å; D95-R136 IonicContact OD2-NE 2.67Å; D95-R136 PolarHBondContact OD2-NE 2.79Å; D95-R136 IonicContact OD2-NH2 2.99Å; W99-R136 HydrophobicContact CD2-CB 4.39Å; W99-R136 HydrophobicContact CD2-CG 4.11Å; W99-R136 HydrophobicContact CG-CG 4.29Å; W99-R136 HydrophobicContact CH2-CB 4.15Å; W99-R136 HydrophobicContact CZ2-CB 3.7Å; W99-R136 HydrophobicContact CZ2-CG 4.06Å; S132-R136 PolarHBondContact O-N 3.03Å; S132-R136 VanDerWaalsContact O-N 3.15Å; Y133-R136 PolarHBondContact O-N 3.45Å; F134-R136 VanDerWaalsContact C-N 3.34Å; F134-R136 PolarHBondContact O-N 3.44Å; R136-N139 WeakPolarHBondContact O-CB 3.46Å; R136-N139 PolarHBondContact O-N 2.8Å; R136-E140 PolarHBondContact O-N 3.38Å; R136-E143 IonicContact CZ-OE1 2.67Å; R136-E143 VanDerWaalsContact CZ-OE1 3.26Å; R136-E143 IonicContact NH1-OE1 2.69Å; R136-E143 PolarHBondContact NH1-OE1 3.03Å; R136-E143 IonicContact NH2-OE1 3.76Å; R136-E143 PolarHBondContact NH2-OE1 3.22Å
137	K	96.8	Very high	91.4	Very high	26 Å²	26	14.1 Å²	14.1	11%	0.113	7%	0.068	C	C	.	.	H	α-helix	trans	-69.8	-31.4	173.4	-72.1	-62.3	-68.4	178.7	0	112.9	L76 I89 Y133 F134 Y135 E140 A141	L76-K137 HydrophobicContact CD1-CB 3.86Å; L76-K137 HydrophobicContact CD1-CG 4.2Å; L76-K137 HydrophobicContact CD2-CB 3.74Å; L76-K137 HydrophobicContact CG-CB 4.47Å; I89-K137 HydrophobicContact CG1-CD 4.19Å; Y133-K137 HydrophobicContact CD1-CG 3.82Å; Y133-K137 HydrophobicContact CD2-CG 4.42Å; Y133-K137 HydrophobicContact CE1-CD 3.97Å; Y133-K137 HydrophobicContact CE1-CG 3.32Å; Y133-K137 HydrophobicContact CE2-CD 4.02Å; Y133-K137 HydrophobicContact CE2-CG 4Å; Y133-K137 HydrophobicContact CG-CG 4.34Å; Y133-K137 VanDerWaalsContact CZ-CG 3.42Å; Y133-K137 WeakPolarHBondContact O-CG 3.36Å; Y133-K137 PolarHBondContact O-N 3.02Å; Y133-K137 WeakPolarHBondContact OH-CD 3.17Å; F134-K137 PolarHBondContact O-N 3.44Å; Y135-K137 VanDerWaalsContact C-N 3.33Å; Y135-K137 PolarHBondContact O-N 3.16Å; K137-E140 VanDerWaalsContact CD-OE2 3.24Å; K137-E140 WeakPolarHBondContact CD-OE2 3.45Å; K137-E140 WeakPolarHBondContact CE-OE2 3.5Å; K137-E140 IonicContact NZ-OE1 3.22Å; K137-E140 PolarHBondContact NZ-OE1 3.05Å; K137-E140 IonicContact NZ-OE2 2.82Å; K137-E140 PolarHBondContact NZ-OE2 3.26Å; K137-E140 PolarHBondContact O-N 3.27Å; K137-A141 PolarHBondContact O-N 3.49Å
138	I	96.2	Very high	89.9	Confident	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-62.4	-48.4	168.7	-68	169.2	0	0	0	109.7	L40 V43 L73 L76 F134 Y135 E140 A141 I142 P167 F168	L40-I138 HydrophobicContact CD1-CD1 4.09Å; L40-I138 HydrophobicContact CD1-CG1 3.94Å; V43-I138 HydrophobicContact CG1-CG2 4.08Å; V43-I138 HydrophobicContact CG2-CD1 4.35Å; L73-I138 HydrophobicContact CD2-CB 4.38Å; L73-I138 HydrophobicContact CD2-CG1 4.09Å; L73-I138 HydrophobicContact CD2-CG2 4.31Å; L76-I138 HydrophobicContact CD2-CG1 4.18Å; F134-I138 HydrophobicContact CD1-CD1 3.97Å; F134-I138 HydrophobicContact CE1-CD1 3.43Å; F134-I138 VanDerWaalsContact CE1-CD1 3.43Å; F134-I138 HydrophobicContact CE2-CD1 4.36Å; F134-I138 HydrophobicContact CZ-CD1 3.66Å; F134-I138 PolarHBondContact O-N 3.36Å; F134-I138 VanDerWaalsContact O-N 3.1Å; Y135-I138 HydrophobicContact CD1-CD1 4.44Å; Y135-I138 WeakPolarHBondContact O-CB 3.17Å; Y135-I138 PolarHBondContact O-N 3.09Å; I138-E140 VanDerWaalsContact C-N 3.33Å; I138-E140 PolarHBondContact O-N 3.05Å; I138-A141 WeakPolarHBondContact O-CB 3.5Å; I138-A141 PolarHBondContact O-N 3.1Å; I138-A141 VanDerWaalsContact O-N 3.16Å; I138-I142 HydrophobicContact CG2-CD1 3.85Å; I138-I142 WeakPolarHBondContact O-CG1 2.91Å; I138-I142 PolarHBondContact O-N 3.1Å; I138-I142 VanDerWaalsContact O-N 3.12Å; I138-P167 HydrophobicContact CG2-CG 4.09Å; I138-F168 HydrophobicContact CD1-CZ 4.31Å
139	N	94.6	Very high	88.3	Confident	9 Å²	9	24.5 Å²	24.5	5%	0.048	13%	0.127	C	C	.	.	H	α-helix	trans	-59.2	-43.6	176.3	-68.4	-37.4	0	0	0	112	Y135 R136 A141 I142 E143 P316	Y135-N139 PolarHBondContact O-N 2.75Å; Y135-N139 PolarHBondContact O-ND2 2.66Å; R136-N139 WeakPolarHBondContact O-CB 3.46Å; R136-N139 PolarHBondContact O-N 2.8Å; N139-A141 VanDerWaalsContact C-N 3.32Å; N139-A141 PolarHBondContact O-N 2.91Å; N139-I142 PolarHBondContact O-N 2.87Å; N139-E143 VanDerWaalsContact O-CB 3.31Å; N139-E143 WeakPolarHBondContact O-CB 3.29Å; N139-E143 WeakPolarHBondContact O-CG 3.13Å; N139-E143 PolarHBondContact O-N 2.76Å; N139-P316 PolarHBondContact ND2-O 2.95Å; N139-P316 WeakPolarHBondContact OD1-CB 3.43Å; N139-P316 WeakPolarHBondContact OD1-CD 3.41Å; N139-P316 PolarHBondContact OD1-O 3.45Å
140	E	93.8	Very high	86.7	Confident	19 Å²	19	29.2 Å²	29.2	9%	0.089	16%	0.161	C	C	.	.	H	α-helix	trans	-56	-46.9	175.1	-177.8	-172.8	143.8	0	0	111.5	I89 N90 R136 K137 I138 I142 T144	I89-E140 WeakPolarHBondContact CA-OE2 3.39Å; I89-E140 WeakPolarHBondContact CG2-OE2 3.48Å; N90-E140 PolarHBondContact N-OE2 2.83Å; N90-E140 WeakPolarHBondContact O-CG 3.35Å; R136-E140 PolarHBondContact O-N 3.38Å; K137-E140 VanDerWaalsContact CD-OE2 3.24Å; K137-E140 WeakPolarHBondContact CD-OE2 3.45Å; K137-E140 WeakPolarHBondContact CE-OE2 3.5Å; K137-E140 IonicContact NZ-OE1 3.22Å; K137-E140 PolarHBondContact NZ-OE1 3.05Å; K137-E140 IonicContact NZ-OE2 2.82Å; K137-E140 PolarHBondContact NZ-OE2 3.26Å; K137-E140 PolarHBondContact O-N 3.27Å; I138-E140 VanDerWaalsContact C-N 3.33Å; I138-E140 PolarHBondContact O-N 3.05Å; E140-I142 VanDerWaalsContact C-N 3.28Å; E140-I142 PolarHBondContact O-N 3.23Å; E140-T144 HydrophobicContact CG-CG2 4.39Å; E140-T144 WeakPolarHBondContact O-CB 3.48Å; E140-T144 PolarHBondContact O-N 3.17Å; E140-T144 VanDerWaalsContact O-N 3.11Å; E140-T144 PolarHBondContact O-OG1 3.35Å
141	A	92.7	Very high	84.9	Confident	5 Å²	5	31.3 Å²	31.3	4%	0.041	18%	0.175	C	C	.	.	H	α-helix	trans	-60.9	-38.9	-179.4	0	0	0	0	0	112.1	R68 H72 L73 K137 I138 N139	R68-A141 PolarHBondContact NH1-O 2.87Å; H72-A141 HydrophobicContact CB-CB 3.84Å; L73-A141 HydrophobicContact CD2-CB 3.75Å; L73-A141 HydrophobicContact CG-CB 4.11Å; K137-A141 PolarHBondContact O-N 3.49Å; I138-A141 WeakPolarHBondContact O-CB 3.5Å; I138-A141 PolarHBondContact O-N 3.1Å; I138-A141 VanDerWaalsContact O-N 3.16Å; N139-A141 VanDerWaalsContact C-N 3.32Å; N139-A141 PolarHBondContact O-N 2.91Å
142	I	91.4	Very high	82.9	Confident	4 Å²	4	40.9 Å²	40.9	2%	0.021	22%	0.22	C	C	.	.	H	α-helix	trans	-76.2	-48.5	-179.2	-67.2	171.3	0	0	0	111.2	V69 I138 N139 E140 S159 M162 W165 P167	V69-I142 HydrophobicContact CG1-CG1 4.02Å; I138-I142 HydrophobicContact CG2-CD1 3.85Å; I138-I142 WeakPolarHBondContact O-CG1 2.91Å; I138-I142 PolarHBondContact O-N 3.1Å; I138-I142 VanDerWaalsContact O-N 3.12Å; N139-I142 PolarHBondContact O-N 2.87Å; E140-I142 VanDerWaalsContact C-N 3.28Å; E140-I142 PolarHBondContact O-N 3.23Å; I142-S159 WeakPolarHBondContact O-CB 3.17Å; I142-M162 HydrophobicContact CG2-CB 4.04Å; I142-M162 WeakPolarHBondContact CG2-O 3.32Å; I142-W165 HydrophobicContact CD1-CE3 4.19Å; I142-W165 HydrophobicContact CD1-CZ3 4.34Å; I142-W165 HydrophobicContact CG2-CB 4.5Å; I142-W165 HydrophobicContact CG2-CE3 4.47Å; I142-P167 HydrophobicContact CD1-CB 4.1Å; I142-P167 HydrophobicContact CD1-CG 3.67Å
143	E	88	Confident	80.9	Confident	12 Å²	12	51 Å²	51	6%	0.056	26%	0.258	C	S	.	.	H	α-helix	trans	-82.9	-20.5	-167.7	81.7	-169.6	167.9	0	0	114	S91 L93 R136 N139 C158 S159	S91-E143 VanDerWaalsContact CB-OE1 3.23Å; S91-E143 WeakPolarHBondContact CB-OE1 3.32Å; S91-E143 PolarHBondContact OG-OE1 3.43Å; L93-E143 WeakPolarHBondContact CD1-OE2 3.49Å; R136-E143 IonicContact CZ-OE1 2.67Å; R136-E143 VanDerWaalsContact CZ-OE1 3.26Å; R136-E143 IonicContact NH1-OE1 2.69Å; R136-E143 PolarHBondContact NH1-OE1 3.03Å; R136-E143 IonicContact NH2-OE1 3.76Å; R136-E143 PolarHBondContact NH2-OE1 3.22Å; N139-E143 VanDerWaalsContact O-CB 3.31Å; N139-E143 WeakPolarHBondContact O-CB 3.29Å; N139-E143 WeakPolarHBondContact O-CG 3.13Å; N139-E143 PolarHBondContact O-N 2.76Å; E143-C158 CarbonylContact O-C 3.47Å; E143-C158 WeakPolarHBondContact O-CA 3.49Å; E143-S159 PolarHBondContact O-N 2.97Å
144	T	82.2	Confident	79	Confident	7 Å²	7	59.8 Å²	59.8	4%	0.043	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	155.3	-173	71.1	0	0	0	0	113.7	R68 N90 E140 V156 L157	R68-T144 PolarHBondContact NH1-O 3.3Å; R68-T144 PolarHBondContact NH2-O 3.22Å; R68-T144 VanDerWaalsContact NH2-O 3.15Å; N90-T144 WeakPolarHBondContact O-CG2 3.16Å; E140-T144 HydrophobicContact CG-CG2 4.39Å; E140-T144 WeakPolarHBondContact O-CB 3.48Å; E140-T144 PolarHBondContact O-N 3.17Å; E140-T144 VanDerWaalsContact O-N 3.11Å; E140-T144 PolarHBondContact O-OG1 3.35Å; T144-V156 HydrophobicContact CG2-CG1 3.73Å; T144-L157 CarbonylContact C-O 3.49Å; T144-L157 VanDerWaalsContact CA-O 3.29Å; T144-L157 WeakPolarHBondContact CA-O 3.42Å
145	R	78.6	Confident	77.4	Confident	78 Å²	78	62.6 Å²	62.6	29%	0.294	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	158.5	165.4	72.1	-176.5	179.7	96.6	-8.1	109.7	L157 C158	R145-L157 HydrophobicContact CG-CB 3.76Å; R145-L157 VanDerWaalsContact CZ-CD1 3.48Å; R145-L157 PolarHBondContact N-O 2.93Å; R145-L157 PolarHBondContact O-N 2.63Å; R145-C158 WeakPolarHBondContact CD-O 3.27Å; R145-C158 WeakPolarHBondContact CG-O 3.31Å; R145-C158 PolarHBondContact NE-O 2.88Å
146	L	67.9	Low	76.1	Confident	92 Å²	92	64.3 Å²	64.3	48%	0.482	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	144.1	170.4	-65.5	175.1	0	0	0	110.3	R154	L146-R154 HydrophobicContact CD2-CG 4.25Å
147	A	65.4	Low	74.8	Confident	10 Å²	10	66.9 Å²	66.9	8%	0.083	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-61.9	148.5	167.4	0	0	0	0	0	111	C155 L157	A147-C155 WeakPolarHBondContact CB-O 3.4Å; A147-C155 WeakPolarHBondContact CB-SG 3.32Å; A147-C155 PolarHBondContact N-O 3.23Å; A147-L157 HydrophobicContact CB-CD1 3.79Å; A147-L157 HydrophobicContact CB-CG 4.15Å
148	P	66	Low	73.6	Confident	73 Å²	73	67.5 Å²	67.5	47%	0.474	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-54.7	148.5	175.3	-21.9	32.1	0	0	0	111.5	S150 S151	P148-S150 PolarHBondContact O-N 3Å; P148-S151 VanDerWaalsContact O-CB 3.31Å; P148-S151 WeakPolarHBondContact O-CB 3.49Å; P148-S151 PolarHBondContact O-N 3.42Å; P148-S151 PolarHBondContact O-OG 3.05Å
149	L	62.5	Low	72.5	Confident	153 Å²	153	67.7 Å²	67.7	80%	0.801	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-20.3	179.9	-71.9	169.8	0	0	0	114	S151	L149-S151 PolarHBondContact O-N 3.42Å
150	S	63.3	Low	71.3	Confident	110 Å²	110	71.5 Å²	71.5	77%	0.769	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-8.8	173.4	53.6	0	0	0	0	114	P148	P148-S150 PolarHBondContact O-N 3Å
151	S	58.3	Low	70.6	Confident	44 Å²	44	73.1 Å²	73.1	31%	0.308	37%	0.373	S	S	.	.	S	Bend	trans	-83.2	122.6	176.4	-44.8	0	0	0	0	109.5	P148 L149 R153	P148-S151 VanDerWaalsContact O-CB 3.31Å; P148-S151 WeakPolarHBondContact O-CB 3.49Å; P148-S151 PolarHBondContact O-N 3.42Å; P148-S151 PolarHBondContact O-OG 3.05Å; L149-S151 PolarHBondContact O-N 3.42Å; S151-R153 WeakPolarHBondContact CB-O 3.48Å; S151-R153 PolarHBondContact O-N 3.39Å
152	E	55.8	Low	69.9	Low	205 Å²	205	73 Å²	73	96%	0.958	37%	0.371	S	S	*	.	S	Bend	trans	-54.3	-20.1	179.2	-71	176.9	163.5	0	0	113.8
153	R	55.8	Low	69	Low	211 Å²	211	78.4 Å²	78.4	80%	0.796	40%	0.395	S	S	*	.	S	Bend	trans	-127.7	129.7	168.9	-64	-176.6	-166	-171.2	3.7	109.7	S151 C155	S151-R153 WeakPolarHBondContact CB-O 3.48Å; S151-R153 PolarHBondContact O-N 3.39Å; R153-C155 VanDerWaalsContact C-N 3.32Å; R153-C155 PolarHBondContact O-N 3.06Å
154	R	57.3	Low	68.5	Low	190 Å²	190	83.7 Å²	83.7	72%	0.717	43%	0.433	S	S	*	.			trans	-66.3	90.7	169.8	-170.1	179.5	-73.6	-175.7	-2.4	108.3	L146	L146-R154 HydrophobicContact CD2-CG 4.25Å
155	C	64.9	Low	68.7	Low	58 Å²	58	86 Å²	86	39%	0.392	44%	0.441	S	S	.	.			trans	-97	154.3	176	62.7	0	0	0	0	111.5	A147 R153	A147-C155 WeakPolarHBondContact CB-O 3.4Å; A147-C155 WeakPolarHBondContact CB-SG 3.32Å; A147-C155 PolarHBondContact N-O 3.23Å; R153-C155 VanDerWaalsContact C-N 3.32Å; R153-C155 PolarHBondContact O-N 3.06Å
156	V	68.9	Low	69.4	Low	43 Å²	43	82.9 Å²	82.9	26%	0.261	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	127.4	175.1	-177.9	0	0	0	0	107.9	N90 T92 T144	N90-V156 HydrophobicContact CB-CG2 4Å; T92-V156 HydrophobicContact CG2-CG1 4.47Å; T144-V156 HydrophobicContact CG2-CG1 3.73Å
157	L	69.5	Low	70.6	Confident	55 Å²	55	78.5 Å²	78.5	29%	0.288	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	162.4	177.2	-58.8	176	0	0	0	109.2	T144 R145 A147	T144-L157 CarbonylContact C-O 3.49Å; T144-L157 VanDerWaalsContact CA-O 3.29Å; T144-L157 WeakPolarHBondContact CA-O 3.42Å; R145-L157 HydrophobicContact CG-CB 3.76Å; R145-L157 VanDerWaalsContact CZ-CD1 3.48Å; R145-L157 PolarHBondContact N-O 2.93Å; R145-L157 PolarHBondContact O-N 2.63Å; A147-L157 HydrophobicContact CB-CD1 3.79Å; A147-L157 HydrophobicContact CB-CG 4.15Å
158	C	72.6	Confident	72	Confident	39 Å²	39	78.2 Å²	78.2	26%	0.264	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	148.2	171.4	-57	0	0	0	0	111.2	T92 E143 R145 K163	T92-C158 PolarHBondContact OG1-SG 2.62Å; E143-C158 CarbonylContact O-C 3.47Å; E143-C158 WeakPolarHBondContact O-CA 3.49Å; R145-C158 WeakPolarHBondContact CD-O 3.27Å; R145-C158 WeakPolarHBondContact CG-O 3.31Å; R145-C158 PolarHBondContact NE-O 2.88Å; C158-K163 HydrophobicContact CB-CD 3.92Å; C158-K163 HydrophobicContact CB-CG 4.36Å
159	S	73.5	Confident	73.4	Confident	5 Å²	5	76 Å²	76	4%	0.035	39%	0.392	C	S	.	.			trans	-55.4	142.6	162.1	160.4	0	0	0	0	109.5	D65 I142 E143 Y161 M162	D65-S159 PolarHBondContact OD2-OG 2.83Å; I142-S159 WeakPolarHBondContact O-CB 3.17Å; E143-S159 PolarHBondContact O-N 2.97Å; S159-Y161 PolarHBondContact OG-N 3.18Å; S159-M162 PolarHBondContact OG-N 3.45Å
160	V	69.4	Low	74.8	Confident	89 Å²	89	74.8 Å²	74.8	54%	0.539	38%	0.378	S	S	.	.	S	Bend	trans	-80.2	-38.9	-177	-176.9	0	0	0	0	110.7
161	Y	77.8	Confident	76.1	Confident	52 Å²	52	72.6 Å²	72.6	20%	0.204	36%	0.355	C	S	.	.	S	Bend	trans	-117	-16.8	-168.3	-53	-69.1	0	0	0	114.4	F58 E61 A62 D65 S159	F58-Y161 HydrophobicContact CB-CD1 3.53Å; F58-Y161 HydrophobicContact CB-CE1 3.58Å; F58-Y161 HydrophobicContact CB-CG 4.29Å; F58-Y161 AromaticContact CD1-CD1 3.77Å; F58-Y161 HydrophobicContact CD1-CD1 3.77Å; F58-Y161 HydrophobicContact CD1-CE1 4.12Å; F58-Y161 AromaticContact CD2-CD1 3.76Å; F58-Y161 HydrophobicContact CD2-CD1 3.76Å; F58-Y161 HydrophobicContact CD2-CG 4.19Å; F58-Y161 HydrophobicContact CE1-CD1 4.36Å; F58-Y161 HydrophobicContact CE2-CD1 4.35Å; F58-Y161 AromaticContact CG-CD1 3.42Å; F58-Y161 HydrophobicContact CG-CD1 3.42Å; F58-Y161 VanDerWaalsContact CG-CD1 3.42Å; F58-Y161 AromaticContact CG-CE1 3.91Å; F58-Y161 HydrophobicContact CG-CE1 3.91Å; F58-Y161 HydrophobicContact CG-CG 4.25Å; E61-Y161 HydrophobicContact CB-CE2 4.22Å; E61-Y161 PolarHBondContact OE2-OH 3.33Å; A62-Y161 HydrophobicContact CB-CD2 3.75Å; A62-Y161 HydrophobicContact CB-CE2 4.08Å; A62-Y161 HydrophobicContact CB-CG 3.99Å; D65-Y161 HydrophobicContact CB-CD2 4.11Å; S159-Y161 PolarHBondContact OG-N 3.18Å
162	M	78.3	Confident	77.7	Confident	2 Å²	2	71.1 Å²	71.1	1%	0.01	34%	0.343	C	S	.	.			trans	-119.6	7	-172.1	-57.9	-175.5	67.3	0	0	113.9	V47 L54 V66 V69 I142 S159 S164 W165	V47-M162 HydrophobicContact CG1-CE 4.31Å; V47-M162 HydrophobicContact CG2-CE 4.45Å; L54-M162 HydrophobicContact CD1-CE 4.28Å; L54-M162 HydrophobicContact CD1-CG 3.81Å; L54-M162 HydrophobicContact CD1-SD 3.75Å; V66-M162 HydrophobicContact CG2-SD 4.16Å; V69-M162 HydrophobicContact CG2-SD 3.98Å; I142-M162 HydrophobicContact CG2-CB 4.04Å; I142-M162 WeakPolarHBondContact CG2-O 3.32Å; S159-M162 PolarHBondContact OG-N 3.45Å; M162-S164 PolarHBondContact O-N 2.99Å; M162-W165 HydrophobicContact CB-CB 4.29Å; M162-W165 HydrophobicContact CE-CD2 3.98Å; M162-W165 HydrophobicContact CE-CE3 3.41Å; M162-W165 VanDerWaalsContact CE-CE3 3.41Å; M162-W165 HydrophobicContact CE-CH2 4.49Å; M162-W165 HydrophobicContact CE-CZ3 3.72Å; M162-W165 WeakPolarHBondContact O-CB 3.34Å; M162-W165 PolarHBondContact O-N 3.19Å
163	K	73.9	Confident	79.5	Confident	119 Å²	119	64.5 Å²	64.5	52%	0.517	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.1	-39.1	-170.3	-172.6	-177.9	177.1	178.4	0	115.3	C158	C158-K163 HydrophobicContact CB-CD 3.92Å; C158-K163 HydrophobicContact CB-CG 4.36Å
164	S	76.4	Confident	81.3	Confident	123 Å²	123	58 Å²	58	86%	0.86	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.3	20.7	-177.9	63.9	0	0	0	0	112.7	M162	M162-S164 PolarHBondContact O-N 2.99Å
165	W	87.2	Confident	82.7	Confident	54 Å²	54	49.6 Å²	49.6	21%	0.205	26%	0.261	C	S	.	.			trans	-83.1	126	-176.7	-175	73	0	0	0	110.8	T46 V47 H50 I142 M162 P167	T46-W165 HydrophobicContact CG2-CH2 3.97Å; T46-W165 HydrophobicContact CG2-CZ2 4.22Å; V47-W165 HydrophobicContact CG2-CH2 3.93Å; V47-W165 HydrophobicContact CG2-CZ3 3.55Å; H50-W165 HydrophobicContact CB-CH2 4.28Å; H50-W165 HydrophobicContact CB-CZ2 3.8Å; H50-W165 AromaticContact CD2-CE2 3.46Å; H50-W165 VanDerWaalsContact CD2-CE2 3.46Å; H50-W165 AromaticContact CD2-CZ2 3.67Å; H50-W165 AromaticContact CD2-NE1 3.41Å; H50-W165 PolarHBondContact CD2-NE1 3.28Å; H50-W165 AromaticContact CE1-NE1 3.76Å; H50-W165 AromaticContact CG-CE2 3.93Å; H50-W165 AromaticContact CG-CZ2 3.69Å; H50-W165 AromaticContact CG-NE1 3.98Å; H50-W165 AromaticContact NE2-CD1 3.7Å; H50-W165 AromaticContact NE2-CE2 3.86Å; H50-W165 AromaticContact NE2-NE1 3.28Å; H50-W165 PolarHBondContact NE2-NE1 2.85Å; I142-W165 HydrophobicContact CD1-CE3 4.19Å; I142-W165 HydrophobicContact CD1-CZ3 4.34Å; I142-W165 HydrophobicContact CG2-CB 4.5Å; I142-W165 HydrophobicContact CG2-CE3 4.47Å; M162-W165 HydrophobicContact CB-CB 4.29Å; M162-W165 HydrophobicContact CE-CD2 3.98Å; M162-W165 HydrophobicContact CE-CE3 3.41Å; M162-W165 VanDerWaalsContact CE-CE3 3.41Å; M162-W165 HydrophobicContact CE-CH2 4.49Å; M162-W165 HydrophobicContact CE-CZ3 3.72Å; M162-W165 WeakPolarHBondContact O-CB 3.34Å; M162-W165 PolarHBondContact O-N 3.19Å; W165-P167 HydrophobicContact CE3-CB 4.25Å; W165-P167 HydrophobicContact CH2-CB 4.05Å; W165-P167 HydrophobicContact CZ3-CB 3.63Å
166	D	92.5	Very high	83.9	Confident	13 Å²	13	46.9 Å²	46.9	7%	0.07	24%	0.243	C	C	.	.			trans	-92.1	114.5	175.7	178.3	0.8	0	0	0	110.1	F168 A169 K172 P316 M323	D166-F168 PolarHBondContact O-N 2.72Å; D166-F168 VanDerWaalsContact O-N 3.16Å; D166-F168 WeakPolarHBondContact OD1-CA 3.25Å; D166-F168 WeakPolarHBondContact OD1-CB 3.12Å; D166-F168 WeakPolarHBondContact OD1-CD2 3.39Å; D166-F168 PolarHBondContact OD1-N 3Å; D166-A169 HydrophobicContact CB-CB 4.06Å; D166-A169 PolarHBondContact O-N 3.43Å; D166-K172 WeakPolarHBondContact OD2-CE 3.3Å; D166-K172 IonicContact OD2-NZ 3.86Å; D166-K172 PolarHBondContact OD2-NZ 3.16Å; D166-P316 HydrophobicContact CB-CB 4.4Å; D166-P316 HydrophobicContact CB-CG 3.8Å; D166-P316 WeakPolarHBondContact OD1-CB 3.02Å; D166-M323 HydrophobicContact CB-SD 4.45Å
167	P	93.8	Very high	85.1	Confident	1 Å²	1	48 Å²	48	1%	0.006	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-10.2	178.5	29.9	-35.1	0	0	0	113.8	V43 I138 I142 W165	V43-P167 HydrophobicContact CG1-CB 3.87Å; V43-P167 HydrophobicContact CG1-CG 4.31Å; V43-P167 HydrophobicContact CG2-CB 4.45Å; I138-P167 HydrophobicContact CG2-CG 4.09Å; I142-P167 HydrophobicContact CD1-CB 4.1Å; I142-P167 HydrophobicContact CD1-CG 3.67Å; W165-P167 HydrophobicContact CE3-CB 4.25Å; W165-P167 HydrophobicContact CH2-CB 4.05Å; W165-P167 HydrophobicContact CZ3-CB 3.63Å
168	F	95.3	Very high	85.9	Confident	4 Å²	4	47.9 Å²	47.9	2%	0.018	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	-8.6	-177.8	-48.1	-66.9	0	0	0	113.7	I39 V43 Y135 I138 D166 Y170 Q171 K172 P316 V319	I39-F168 HydrophobicContact CG2-CE1 4.24Å; V43-F168 HydrophobicContact CG2-CD1 4.32Å; V43-F168 HydrophobicContact CG2-CE1 3.39Å; V43-F168 HydrophobicContact CG2-CZ 3.8Å; Y135-F168 HydrophobicContact CD1-CE2 4.11Å; Y135-F168 AromaticContact CD1-CZ 3.96Å; Y135-F168 HydrophobicContact CD1-CZ 3.96Å; Y135-F168 HydrophobicContact CE1-CE2 4.44Å; Y135-F168 HydrophobicContact CE1-CZ 4Å; I138-F168 HydrophobicContact CD1-CZ 4.31Å; D166-F168 PolarHBondContact O-N 2.72Å; D166-F168 VanDerWaalsContact O-N 3.16Å; D166-F168 WeakPolarHBondContact OD1-CA 3.25Å; D166-F168 WeakPolarHBondContact OD1-CB 3.12Å; D166-F168 WeakPolarHBondContact OD1-CD2 3.39Å; D166-F168 PolarHBondContact OD1-N 3Å; F168-Y170 VanDerWaalsContact C-N 3.32Å; F168-Y170 PolarHBondContact O-N 3.27Å; F168-Q171 WeakPolarHBondContact O-CB 3.47Å; F168-Q171 PolarHBondContact O-N 3.03Å; F168-K172 PolarHBondContact O-N 2.79Å; F168-K172 VanDerWaalsContact O-N 3.09Å; F168-P316 HydrophobicContact CD2-CB 4.11Å; F168-P316 HydrophobicContact CE2-CB 4.33Å; F168-V319 VanDerWaalsContact CB-O 3.25Å; F168-V319 WeakPolarHBondContact CB-O 3.45Å; F168-V319 HydrophobicContact CD1-CB 4.33Å; F168-V319 HydrophobicContact CD1-CG1 4.11Å; F168-V319 HydrophobicContact CD1-CG2 4.27Å; F168-V319 HydrophobicContact CE1-CG2 4.08Å
169	A	93.8	Very high	86.7	Confident	25 Å²	25	46.7 Å²	46.7	21%	0.207	24%	0.243	C	C	.	.	H	α-helix	trans	-50.2	-49.2	-177	0	0	0	0	0	112.8	D166 Q171 K172 E173	D166-A169 HydrophobicContact CB-CB 4.06Å; D166-A169 PolarHBondContact O-N 3.43Å; A169-Q171 VanDerWaalsContact C-N 3.28Å; A169-Q171 PolarHBondContact O-N 2.66Å; A169-K172 PolarHBondContact O-N 3.48Å; A169-K172 VanDerWaalsContact O-N 3.12Å; A169-E173 WeakPolarHBondContact O-CG 3.33Å; A169-E173 PolarHBondContact O-N 3.09Å
170	Y	92.1	Very high	87.6	Confident	129 Å²	129	49 Å²	49	51%	0.506	26%	0.255	S	S	.	.	H	α-helix	trans	-57.3	-40.3	177.9	177.6	-100.7	0	0	0	112.6	F168 Q174	F168-Y170 VanDerWaalsContact C-N 3.32Å; F168-Y170 PolarHBondContact O-N 3.27Å; Y170-Q174 HydrophobicContact CD1-CG 4.16Å; Y170-Q174 HydrophobicContact CD2-CG 4.23Å; Y170-Q174 HydrophobicContact CE1-CG 3.7Å; Y170-Q174 HydrophobicContact CE2-CG 3.77Å; Y170-Q174 HydrophobicContact CG-CG 4.42Å; Y170-Q174 VanDerWaalsContact CZ-CG 3.48Å; Y170-Q174 WeakPolarHBondContact O-CB 3.41Å; Y170-Q174 VanDerWaalsContact O-CG 3.25Å; Y170-Q174 WeakPolarHBondContact O-CG 3.49Å; Y170-Q174 PolarHBondContact O-N 2.74Å
171	Q	90.7	Very high	88.5	Confident	64 Å²	64	48.8 Å²	48.8	30%	0.299	26%	0.255	S	S	.	.	H	α-helix	trans	-68.2	-39.8	179.5	-64.3	178	36.4	0	0	111.2	F168 A169 Q174 S175 V319	F168-Q171 WeakPolarHBondContact O-CB 3.47Å; F168-Q171 PolarHBondContact O-N 3.03Å; A169-Q171 VanDerWaalsContact C-N 3.28Å; A169-Q171 PolarHBondContact O-N 2.66Å; Q171-Q174 PolarHBondContact O-N 2.89Å; Q171-S175 PolarHBondContact O-N 3.25Å; Q171-V319 VanDerWaalsContact OE1-CG1 3.23Å
172	K	92.7	Very high	88.9	Confident	13 Å²	13	46.8 Å²	46.8	6%	0.057	25%	0.249	C	C	.	.	H	α-helix	trans	-64.2	-45.5	175.3	-68.4	-175.3	-69.8	-177.4	0	112	D166 F168 A169 S175 F176 D321 D326	D166-K172 WeakPolarHBondContact OD2-CE 3.3Å; D166-K172 IonicContact OD2-NZ 3.86Å; D166-K172 PolarHBondContact OD2-NZ 3.16Å; F168-K172 PolarHBondContact O-N 2.79Å; F168-K172 VanDerWaalsContact O-N 3.09Å; A169-K172 PolarHBondContact O-N 3.48Å; A169-K172 VanDerWaalsContact O-N 3.12Å; K172-S175 WeakPolarHBondContact O-CB 3.27Å; K172-S175 PolarHBondContact O-N 3.13Å; K172-F176 PolarHBondContact O-N 3.02Å; K172-F176 VanDerWaalsContact O-N 3.08Å; K172-D321 PolarHBondContact NZ-O 2.88Å; K172-D326 WeakPolarHBondContact CE-OD1 3.15Å; K172-D326 VanDerWaalsContact NZ-CG 3.25Å; K172-D326 IonicContact NZ-OD1 3.56Å; K172-D326 PolarHBondContact NZ-OD1 2.81Å; K172-D326 VanDerWaalsContact NZ-OD1 3.13Å; K172-D326 IonicContact NZ-OD2 3.62Å; K172-D326 PolarHBondContact NZ-OD2 2.8Å
173	E	94	Very high	89.5	Confident	66 Å²	66	46.7 Å²	46.7	31%	0.308	25%	0.248	S	C	.	.	H	α-helix	trans	-61.1	-45.5	175.9	-69.6	173.3	-170.8	0	0	111.5	A169 S175 F176 I177 W329	A169-E173 WeakPolarHBondContact O-CG 3.33Å; A169-E173 PolarHBondContact O-N 3.09Å; E173-S175 PolarHBondContact O-N 2.99Å; E173-F176 PolarHBondContact O-N 3.43Å; E173-I177 WeakPolarHBondContact O-CB 3.42Å; E173-I177 VanDerWaalsContact O-CG1 3.26Å; E173-I177 WeakPolarHBondContact O-CG1 3.43Å; E173-I177 PolarHBondContact O-N 2.67Å; E173-W329 HydrophobicContact CB-CH2 3.86Å; E173-W329 HydrophobicContact CB-CZ2 3.96Å; E173-W329 HydrophobicContact CB-CZ3 4.47Å; E173-W329 HydrophobicContact CG-CD2 4.33Å; E173-W329 HydrophobicContact CG-CE3 4.48Å; E173-W329 HydrophobicContact CG-CH2 3.92Å; E173-W329 HydrophobicContact CG-CZ2 3.72Å; E173-W329 HydrophobicContact CG-CZ3 4.3Å
174	Q	91.9	Very high	90.4	Very high	74 Å²	74	42 Å²	42	35%	0.346	23%	0.231	S	C	.	.	H	α-helix	trans	-64.9	-37.4	176.8	-70.1	-53.3	-62.2	0	0	112.4	Y170 Q171 F176 I177 S178	Y170-Q174 HydrophobicContact CD1-CG 4.16Å; Y170-Q174 HydrophobicContact CD2-CG 4.23Å; Y170-Q174 HydrophobicContact CE1-CG 3.7Å; Y170-Q174 HydrophobicContact CE2-CG 3.77Å; Y170-Q174 HydrophobicContact CG-CG 4.42Å; Y170-Q174 VanDerWaalsContact CZ-CG 3.48Å; Y170-Q174 WeakPolarHBondContact O-CB 3.41Å; Y170-Q174 VanDerWaalsContact O-CG 3.25Å; Y170-Q174 WeakPolarHBondContact O-CG 3.49Å; Y170-Q174 PolarHBondContact O-N 2.74Å; Q171-Q174 PolarHBondContact O-N 2.89Å; Q174-F176 VanDerWaalsContact C-N 3.35Å; Q174-F176 PolarHBondContact O-N 3.49Å; Q174-I177 PolarHBondContact O-N 3.43Å; Q174-S178 VanDerWaalsContact O-CB 3.3Å; Q174-S178 WeakPolarHBondContact O-CB 3.35Å; Q174-S178 PolarHBondContact O-N 3.47Å; Q174-S178 PolarHBondContact O-OG 3Å
175	S	87.5	Confident	91	Very high	14 Å²	14	39.7 Å²	39.7	10%	0.098	21%	0.209	C	C	.	.	H	α-helix	trans	-57.6	-49	173.4	-179.7	0	0	0	0	110.3	Q171 K172 E173 S178 A179 D224	Q171-S175 PolarHBondContact O-N 3.25Å; K172-S175 WeakPolarHBondContact O-CB 3.27Å; K172-S175 PolarHBondContact O-N 3.13Å; E173-S175 PolarHBondContact O-N 2.99Å; S175-S178 PolarHBondContact O-N 3.1Å; S175-S178 PolarHBondContact O-OG 3.28Å; S175-A179 WeakPolarHBondContact O-CB 3.25Å; S175-A179 PolarHBondContact O-N 3.45Å; S175-D224 PolarHBondContact OG-OD1 3.24Å
176	F	91	Very high	91.2	Very high	1 Å²	1	37.4 Å²	37.4	0%	0.004	20%	0.2	C	C	.	.	H	α-helix	trans	-61.3	-49.1	175.1	-176.9	-95.6	0	0	0	113.3	K172 E173 Q174 S178 A179 L180 I183 W329 I330 M333 L334	K172-F176 PolarHBondContact O-N 3.02Å; K172-F176 VanDerWaalsContact O-N 3.08Å; E173-F176 PolarHBondContact O-N 3.43Å; Q174-F176 VanDerWaalsContact C-N 3.35Å; Q174-F176 PolarHBondContact O-N 3.49Å; F176-S178 VanDerWaalsContact C-N 3.3Å; F176-S178 PolarHBondContact O-N 3.02Å; F176-A179 CarbonylContact O-C 3.34Å; F176-A179 PolarHBondContact O-N 2.91Å; F176-L180 HydrophobicContact CD1-CD2 4.29Å; F176-L180 HydrophobicContact CE1-CD2 3.72Å; F176-L180 HydrophobicContact CZ-CD2 4.28Å; F176-L180 PolarHBondContact O-N 2.92Å; F176-I183 HydrophobicContact CD2-CD1 3.6Å; F176-I183 HydrophobicContact CE2-CD1 3.45Å; F176-I183 VanDerWaalsContact CE2-CD1 3.45Å; F176-I183 HydrophobicContact CG-CD1 4.32Å; F176-I183 HydrophobicContact CZ-CD1 4.04Å; F176-W329 HydrophobicContact CB-CH2 4.02Å; F176-W329 HydrophobicContact CB-CZ3 3.66Å; F176-W329 AromaticContact CD1-CH2 3.64Å; F176-W329 HydrophobicContact CD1-CH2 3.64Å; F176-W329 AromaticContact CD1-CZ3 3.57Å; F176-W329 HydrophobicContact CD1-CZ3 3.57Å; F176-W329 HydrophobicContact CE1-CH2 4.46Å; F176-W329 HydrophobicContact CE1-CZ3 4.33Å; F176-W329 HydrophobicContact CG-CH2 4.1Å; F176-W329 AromaticContact CG-CZ3 3.66Å; F176-W329 HydrophobicContact CG-CZ3 3.66Å; F176-I330 HydrophobicContact CD2-CD1 3.41Å; F176-I330 VanDerWaalsContact CD2-CD1 3.41Å; F176-I330 HydrophobicContact CD2-CG1 3.68Å; F176-I330 HydrophobicContact CD2-CG2 4.33Å; F176-I330 HydrophobicContact CE2-CB 4.18Å; F176-I330 HydrophobicContact CE2-CD1 3.76Å; F176-I330 HydrophobicContact CE2-CG1 3.76Å; F176-I330 HydrophobicContact CE2-CG2 3.57Å; F176-I330 HydrophobicContact CG-CD1 4.21Å; F176-I330 HydrophobicContact CG-CG1 4.2Å; F176-I330 HydrophobicContact CZ-CG1 4.37Å; F176-I330 HydrophobicContact CZ-CG2 4.04Å; F176-M333 HydrophobicContact CE1-CB 3.84Å; F176-M333 HydrophobicContact CE1-CG 4.35Å; F176-M333 HydrophobicContact CZ-CB 4.3Å; F176-L334 HydrophobicContact CZ-CD2 4.23Å; F176-L334 HydrophobicContact CZ-CG 4.49Å
177	I	92.2	Very high	91.3	Very high	67 Å²	67	36.8 Å²	36.8	34%	0.344	20%	0.197	S	C	.	.	H	α-helix	trans	-59.6	-43	-178.4	-70.6	164.4	0	0	0	110.6	E173 Q174 A179 L180 W329	E173-I177 WeakPolarHBondContact O-CB 3.42Å; E173-I177 VanDerWaalsContact O-CG1 3.26Å; E173-I177 WeakPolarHBondContact O-CG1 3.43Å; E173-I177 PolarHBondContact O-N 2.67Å; Q174-I177 PolarHBondContact O-N 3.43Å; I177-A179 PolarHBondContact O-N 2.79Å; I177-L180 HydrophobicContact CB-CD1 4.45Å; I177-L180 HydrophobicContact CG2-CD1 4.21Å; I177-L180 WeakPolarHBondContact O-CB 3.36Å; I177-L180 WeakPolarHBondContact O-CD1 3.18Å; I177-L180 VanDerWaalsContact O-CG 3.25Å; I177-L180 WeakPolarHBondContact O-CG 3.31Å; I177-L180 PolarHBondContact O-N 3.49Å; I177-W329 HydrophobicContact CG1-CH2 4.35Å
178	S	88.2	Confident	91.3	Very high	52 Å²	52	40.7 Å²	40.7	36%	0.364	22%	0.221	S	C	.	.	H	α-helix	trans	-65.8	-27.4	177.8	73.2	0	0	0	0	113	Q174 S175 F176	Q174-S178 VanDerWaalsContact O-CB 3.3Å; Q174-S178 WeakPolarHBondContact O-CB 3.35Å; Q174-S178 PolarHBondContact O-N 3.47Å; Q174-S178 PolarHBondContact O-OG 3Å; S175-S178 PolarHBondContact O-N 3.1Å; S175-S178 PolarHBondContact O-OG 3.28Å; F176-S178 VanDerWaalsContact C-N 3.3Å; F176-S178 PolarHBondContact O-N 3.02Å
179	A	89.1	Confident	91.1	Very high	13 Å²	13	41.5 Å²	41.5	11%	0.107	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-2.9	178.4	0	0	0	0	0	114	S175 F176 I177 P181 T182 I183 I287	S175-A179 WeakPolarHBondContact O-CB 3.25Å; S175-A179 PolarHBondContact O-N 3.45Å; F176-A179 CarbonylContact O-C 3.34Å; F176-A179 PolarHBondContact O-N 2.91Å; I177-A179 PolarHBondContact O-N 2.79Å; A179-P181 VanDerWaalsContact C-CD 3.46Å; A179-T182 WeakPolarHBondContact O-CB 3.46Å; A179-T182 PolarHBondContact O-N 3.03Å; A179-I183 HydrophobicContact CB-CD1 3.9Å; A179-I183 HydrophobicContact CB-CG1 4.3Å; A179-I183 WeakPolarHBondContact O-CG1 3.14Å; A179-I183 PolarHBondContact O-N 2.94Å; A179-I287 HydrophobicContact CB-CB 4.24Å
180	L	90.9	Very high	91.1	Very high	55 Å²	55	40.3 Å²	40.3	29%	0.288	22%	0.215	S	C	.	.	H	α-helix	trans	-50.8	-42.3	-176.5	-76.4	170.6	0	0	0	114.7	F176 I177 T182 I183 A184 M342	F176-L180 HydrophobicContact CD1-CD2 4.29Å; F176-L180 HydrophobicContact CE1-CD2 3.72Å; F176-L180 HydrophobicContact CZ-CD2 4.28Å; F176-L180 PolarHBondContact O-N 2.92Å; I177-L180 HydrophobicContact CB-CD1 4.45Å; I177-L180 HydrophobicContact CG2-CD1 4.21Å; I177-L180 WeakPolarHBondContact O-CB 3.36Å; I177-L180 WeakPolarHBondContact O-CD1 3.18Å; I177-L180 VanDerWaalsContact O-CG 3.25Å; I177-L180 WeakPolarHBondContact O-CG 3.31Å; I177-L180 PolarHBondContact O-N 3.49Å; L180-T182 VanDerWaalsContact C-N 3.34Å; L180-T182 PolarHBondContact O-N 2.9Å; L180-I183 PolarHBondContact O-N 2.89Å; L180-A184 WeakPolarHBondContact O-CB 3.33Å; L180-A184 PolarHBondContact O-N 3.12Å; L180-M342 HydrophobicContact CD2-CE 3.7Å
181	P	88.4	Confident	91.2	Very high	83 Å²	83	36 Å²	36	54%	0.539	20%	0.203	S	C	.	.	H	α-helix	trans	-59.9	-42.7	176.5	-25	35.8	0	0	0	112.9	A179 A184 I185	A179-P181 VanDerWaalsContact C-CD 3.46Å; P181-A184 PolarHBondContact O-N 3.28Å; P181-I185 PolarHBondContact O-N 3.46Å
182	T	86.5	Confident	91.3	Very high	11 Å²	11	40.8 Å²	40.8	7%	0.067	22%	0.218	C	C	.	.	H	α-helix	trans	-68.4	-42.4	176.8	-52.1	0	0	0	0	111	A179 L180 A184 I185 L186 S235 F238 I287	A179-T182 WeakPolarHBondContact O-CB 3.46Å; A179-T182 PolarHBondContact O-N 3.03Å; L180-T182 VanDerWaalsContact C-N 3.34Å; L180-T182 PolarHBondContact O-N 2.9Å; T182-A184 VanDerWaalsContact C-N 3.28Å; T182-A184 PolarHBondContact O-N 3.17Å; T182-I185 PolarHBondContact O-N 3.2Å; T182-L186 HydrophobicContact CG2-CD1 4.22Å; T182-L186 HydrophobicContact CG2-CG 4.47Å; T182-L186 WeakPolarHBondContact O-CG 3.44Å; T182-L186 PolarHBondContact O-N 3.48Å; T182-S235 WeakPolarHBondContact OG1-CB 3.19Å; T182-F238 HydrophobicContact CG2-CB 3.79Å; T182-I287 HydrophobicContact CG2-CD1 3.62Å
183	I	91.4	Very high	91.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-61.6	-36.9	177.1	-68.6	167.8	0	0	0	110.9	F176 A179 L180 I185 L186 A187 I287 F290 L334 M342	F176-I183 HydrophobicContact CD2-CD1 3.6Å; F176-I183 HydrophobicContact CE2-CD1 3.45Å; F176-I183 VanDerWaalsContact CE2-CD1 3.45Å; F176-I183 HydrophobicContact CG-CD1 4.32Å; F176-I183 HydrophobicContact CZ-CD1 4.04Å; A179-I183 HydrophobicContact CB-CD1 3.9Å; A179-I183 HydrophobicContact CB-CG1 4.3Å; A179-I183 WeakPolarHBondContact O-CG1 3.14Å; A179-I183 PolarHBondContact O-N 2.94Å; L180-I183 PolarHBondContact O-N 2.89Å; I183-I185 VanDerWaalsContact C-N 3.35Å; I183-I185 PolarHBondContact O-N 2.88Å; I183-L186 PolarHBondContact O-N 3.39Å; I183-A187 WeakPolarHBondContact O-CB 3.05Å; I183-A187 PolarHBondContact O-N 3.32Å; I183-I287 HydrophobicContact CG1-CG1 4.41Å; I183-F290 HydrophobicContact CG2-CD2 3.71Å; I183-F290 HydrophobicContact CG2-CE2 3.75Å; I183-F290 HydrophobicContact CG2-CG 4.27Å; I183-F290 HydrophobicContact CG2-CZ 4.36Å; I183-L334 HydrophobicContact CG2-CD2 4.1Å; I183-M342 HydrophobicContact CG2-CE 3.94Å
184	A	91.9	Very high	91.4	Very high	20 Å²	20	37.8 Å²	37.8	17%	0.165	21%	0.205	C	C	.	.	H	α-helix	trans	-64.2	-38.3	176.2	0	0	0	0	0	112.7	L180 P181 T182 T188 M342	L180-A184 WeakPolarHBondContact O-CB 3.33Å; L180-A184 PolarHBondContact O-N 3.12Å; P181-A184 PolarHBondContact O-N 3.28Å; T182-A184 VanDerWaalsContact C-N 3.28Å; T182-A184 PolarHBondContact O-N 3.17Å; A184-T188 PolarHBondContact O-N 3.09Å; A184-T188 VanDerWaalsContact O-N 3.15Å; A184-T188 PolarHBondContact O-OG1 2.92Å; A184-M342 HydrophobicContact CB-SD 3.96Å
185	I	89.5	Confident	91.5	Very high	75 Å²	75	39.6 Å²	39.6	39%	0.385	21%	0.213	S	C	.	.	H	α-helix	trans	-66.7	-49.2	174.4	-63.8	169.1	0	0	0	109.9	P181 T182 I183 A187 T188 L189	P181-I185 PolarHBondContact O-N 3.46Å; T182-I185 PolarHBondContact O-N 3.2Å; I183-I185 VanDerWaalsContact C-N 3.35Å; I183-I185 PolarHBondContact O-N 2.88Å; I185-A187 VanDerWaalsContact C-N 3.29Å; I185-A187 PolarHBondContact O-N 3.43Å; I185-T188 WeakPolarHBondContact O-CB 3.38Å; I185-T188 PolarHBondContact O-N 3.31Å; I185-L189 PolarHBondContact O-N 2.89Å
186	L	91.3	Very high	91.7	Very high	6 Å²	6	43.4 Å²	43.4	3%	0.031	23%	0.229	C	C	.	.	H	α-helix	trans	-62.8	-35.5	178.4	-69.6	176.3	0	0	0	112.1	T182 I183 L189 A190 I216 F238 I287 F290	T182-L186 HydrophobicContact CG2-CD1 4.22Å; T182-L186 HydrophobicContact CG2-CG 4.47Å; T182-L186 WeakPolarHBondContact O-CG 3.44Å; T182-L186 PolarHBondContact O-N 3.48Å; I183-L186 PolarHBondContact O-N 3.39Å; L186-L189 HydrophobicContact CD2-CD2 4.48Å; L186-L189 PolarHBondContact O-N 3.28Å; L186-A190 WeakPolarHBondContact O-CB 3.36Å; L186-A190 PolarHBondContact O-N 3.43Å; L186-I216 HydrophobicContact CD1-CG2 4.49Å; L186-I216 HydrophobicContact CD2-CD1 4.36Å; L186-I216 HydrophobicContact CD2-CG2 4.26Å; L186-F238 HydrophobicContact CD2-CD1 4.1Å; L186-I287 HydrophobicContact CD1-CD1 4.02Å; L186-I287 HydrophobicContact CD1-CG1 4.18Å; L186-F290 HydrophobicContact CB-CD1 4.35Å; L186-F290 HydrophobicContact CB-CE1 3.64Å; L186-F290 HydrophobicContact CB-CZ 4.29Å; L186-F290 HydrophobicContact CD1-CD1 4.37Å; L186-F290 HydrophobicContact CD1-CE1 4.44Å
187	A	94.8	Very high	91.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-63	-44.8	174.9	0	0	0	0	0	111.3	I183 I185 L189 A190 T191 F290 A341 M342 L345	I183-A187 WeakPolarHBondContact O-CB 3.05Å; I183-A187 PolarHBondContact O-N 3.32Å; I185-A187 VanDerWaalsContact C-N 3.29Å; I185-A187 PolarHBondContact O-N 3.43Å; A187-L189 VanDerWaalsContact C-N 3.33Å; A187-L189 PolarHBondContact O-N 2.99Å; A187-A190 PolarHBondContact O-N 2.96Å; A187-T191 PolarHBondContact O-N 3.24Å; A187-T191 PolarHBondContact O-OG1 3.13Å; A187-F290 HydrophobicContact CB-CZ 4.17Å; A187-A341 HydrophobicContact CB-CB 4.09Å; A187-M342 HydrophobicContact CB-CB 4.48Å; A187-M342 HydrophobicContact CB-CG 3.65Å; A187-L345 HydrophobicContact CB-CD1 3.7Å
188	T	93.4	Very high	92	Very high	82 Å²	82	42.4 Å²	42.4	50%	0.503	23%	0.228	S	C	.	.	H	α-helix	trans	-60.4	-43.9	175.6	-54.3	0	0	0	0	111.5	A184 I185 R192	A184-T188 PolarHBondContact O-N 3.09Å; A184-T188 VanDerWaalsContact O-N 3.15Å; A184-T188 PolarHBondContact O-OG1 2.92Å; I185-T188 WeakPolarHBondContact O-CB 3.38Å; I185-T188 PolarHBondContact O-N 3.31Å; T188-R192 PolarHBondContact O-N 3.26Å
189	L	91.2	Very high	92.2	Very high	21 Å²	21	46.3 Å²	46.3	11%	0.11	24%	0.239	C	C	.	.	H	α-helix	trans	-61.4	-47.8	174.7	175.4	66.1	0	0	0	111.4	I185 L186 A187 R192 M193 I216 L241	I185-L189 PolarHBondContact O-N 2.89Å; L186-L189 HydrophobicContact CD2-CD2 4.48Å; L186-L189 PolarHBondContact O-N 3.28Å; A187-L189 VanDerWaalsContact C-N 3.33Å; A187-L189 PolarHBondContact O-N 2.99Å; L189-R192 PolarHBondContact O-N 3.46Å; L189-M193 HydrophobicContact CD1-CE 4.35Å; L189-M193 VanDerWaalsContact O-CB 3.25Å; L189-M193 WeakPolarHBondContact O-CB 3.41Å; L189-M193 PolarHBondContact O-N 3.19Å; L189-I216 HydrophobicContact CD2-CD1 3.84Å; L189-L241 HydrophobicContact CD1-CD1 4.05Å; L189-L241 HydrophobicContact CD2-CD2 3.85Å; L189-L241 HydrophobicContact CD2-CG 4.33Å
190	A	94.4	Very high	92.4	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-62.5	-43.8	-178	0	0	0	0	0	112.1	L186 A187 M193 T194 F294 L345	L186-A190 WeakPolarHBondContact O-CB 3.36Å; L186-A190 PolarHBondContact O-N 3.43Å; A187-A190 PolarHBondContact O-N 2.96Å; A190-M193 PolarHBondContact O-N 2.94Å; A190-T194 WeakPolarHBondContact O-CB 3.37Å; A190-T194 WeakPolarHBondContact O-CG2 3.29Å; A190-T194 PolarHBondContact O-N 2.61Å; A190-T194 PolarHBondContact O-OG1 2.89Å; A190-F294 VanDerWaalsContact CA-CE2 3.42Å; A190-F294 HydrophobicContact CB-CD1 4.25Å; A190-F294 HydrophobicContact CB-CD2 3.4Å; A190-F294 VanDerWaalsContact CB-CD2 3.4Å; A190-F294 HydrophobicContact CB-CE1 4.13Å; A190-F294 HydrophobicContact CB-CE2 3.28Å; A190-F294 HydrophobicContact CB-CG 3.92Å; A190-F294 HydrophobicContact CB-CZ 3.67Å; A190-L345 HydrophobicContact CB-CD1 3.81Å; A190-L345 HydrophobicContact CB-CD2 4.38Å
191	T	95	Very high	92.3	Very high	39 Å²	39	48.8 Å²	48.8	24%	0.239	26%	0.259	C	S	.	.	H	α-helix	trans	-59.5	-49	174.9	-56.5	0	0	0	0	111.2	A187 T194 E195	A187-T191 PolarHBondContact O-N 3.24Å; A187-T191 PolarHBondContact O-OG1 3.13Å; T191-T194 PolarHBondContact O-OG1 3.34Å; T191-E195 WeakPolarHBondContact O-CB 3.4Å; T191-E195 PolarHBondContact O-N 3.16Å; T191-E195 VanDerWaalsContact O-N 3.13Å
192	R	93	Very high	92.5	Very high	165 Å²	165	48.2 Å²	48.2	62%	0.623	25%	0.251	S	S	*	.	H	α-helix	trans	-63.2	-45	179.2	-176.6	-178	69.1	-177	1	112	T188 L189 H196	T188-R192 PolarHBondContact O-N 3.26Å; L189-R192 PolarHBondContact O-N 3.46Å; R192-H196 PolarHBondContact O-N 2.83Å; R192-H196 VanDerWaalsContact O-N 3.16Å
193	M	93.8	Very high	92.8	Very high	8 Å²	8	48.1 Å²	48.1	4%	0.039	25%	0.25	C	S	.	.	H	α-helix	trans	-66.7	-49.9	-177.3	-175.5	178.2	-78.7	0	0	110.5	L189 A190 E195 H196 L197 D209 V213 F294	L189-M193 HydrophobicContact CD1-CE 4.35Å; L189-M193 VanDerWaalsContact O-CB 3.25Å; L189-M193 WeakPolarHBondContact O-CB 3.41Å; L189-M193 PolarHBondContact O-N 3.19Å; A190-M193 PolarHBondContact O-N 2.94Å; M193-E195 VanDerWaalsContact C-N 3.31Å; M193-E195 PolarHBondContact O-N 2.85Å; M193-H196 WeakPolarHBondContact O-CB 3.37Å; M193-H196 PolarHBondContact O-N 3.49Å; M193-H196 VanDerWaalsContact O-N 3.1Å; M193-L197 HydrophobicContact CG-CD1 3.78Å; M193-L197 HydrophobicContact CG-CG 4.06Å; M193-L197 WeakPolarHBondContact O-CB 3.28Å; M193-L197 VanDerWaalsContact O-CG 3.23Å; M193-L197 WeakPolarHBondContact O-CG 3.47Å; M193-L197 PolarHBondContact O-N 2.76Å; M193-L197 HydrophobicContact SD-CD1 4.43Å; M193-D209 HydrophobicContact CE-CB 4.14Å; M193-D209 HydrophobicContact CG-CB 4.3Å; M193-D209 HydrophobicContact SD-CB 4.07Å; M193-V213 HydrophobicContact CE-CG2 4.31Å; M193-V213 HydrophobicContact SD-CG2 3.31Å; M193-V213 WeakPolarHBondContact SD-CG2 3.42Å; M193-F294 HydrophobicContact CB-CZ 4.48Å; M193-F294 HydrophobicContact SD-CZ 3.78Å
194	T	94.1	Very high	93	Very high	7 Å²	7	52.8 Å²	52.8	4%	0.043	28%	0.275	C	S	.	.	H	α-helix	trans	-61.1	-38.4	179.2	51.3	0	0	0	0	112.6	A190 T191 H196 L197 S198 F294 V298 E301	A190-T194 WeakPolarHBondContact O-CB 3.37Å; A190-T194 WeakPolarHBondContact O-CG2 3.29Å; A190-T194 PolarHBondContact O-N 2.61Å; A190-T194 PolarHBondContact O-OG1 2.89Å; T191-T194 PolarHBondContact O-OG1 3.34Å; T194-H196 VanDerWaalsContact C-N 3.35Å; T194-H196 PolarHBondContact O-N 2.79Å; T194-L197 PolarHBondContact O-N 3.28Å; T194-S198 WeakPolarHBondContact O-CB 3.43Å; T194-S198 PolarHBondContact O-N 3.09Å; T194-F294 HydrophobicContact CG2-CE2 4.15Å; T194-V298 HydrophobicContact CG2-CG2 4.17Å; T194-E301 HydrophobicContact CG2-CG 4.17Å
195	E	93.2	Very high	93.1	Very high	113 Å²	113	57.7 Å²	57.7	53%	0.528	30%	0.295	S	S	.	.	H	α-helix	trans	-61.6	-41.9	174	-162.3	-156.8	143.3	0	0	112.2	T191 M193 S198 K199	T191-E195 WeakPolarHBondContact O-CB 3.4Å; T191-E195 PolarHBondContact O-N 3.16Å; T191-E195 VanDerWaalsContact O-N 3.13Å; M193-E195 VanDerWaalsContact C-N 3.31Å; M193-E195 PolarHBondContact O-N 2.85Å; E195-S198 PolarHBondContact O-OG 3.37Å; E195-K199 WeakPolarHBondContact O-CE 3.44Å; E195-K199 IonicContact OE1-NZ 3.47Å; E195-K199 PolarHBondContact OE1-NZ 3.28Å
196	H	93.4	Very high	93.4	Very high	94 Å²	94	54.1 Å²	54.1	44%	0.435	28%	0.276	S	S	.	.	H	α-helix	trans	-64.4	-50.5	174.8	172.6	-128.7	0	0	0	111.6	R192 M193 T194 S198 K199 D209	R192-H196 PolarHBondContact O-N 2.83Å; R192-H196 VanDerWaalsContact O-N 3.16Å; M193-H196 WeakPolarHBondContact O-CB 3.37Å; M193-H196 PolarHBondContact O-N 3.49Å; M193-H196 VanDerWaalsContact O-N 3.1Å; T194-H196 VanDerWaalsContact C-N 3.35Å; T194-H196 PolarHBondContact O-N 2.79Å; H196-S198 VanDerWaalsContact C-N 3.27Å; H196-S198 PolarHBondContact O-N 3.17Å; H196-K199 WeakPolarHBondContact O-CB 3.39Å; H196-K199 PolarHBondContact O-N 2.98Å; H196-K199 VanDerWaalsContact O-N 3.08Å; H196-D209 IonicContact CE1-OD2 2.86Å; H196-D209 IonicContact ND1-OD2 3.41Å
197	L	94.6	Very high	93.7	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-62.5	-32.7	-176.6	-65.9	-178.4	0	0	0	112.8	M193 T194 K199 I200 A206 D209 V298 L302	M193-L197 HydrophobicContact CG-CD1 3.78Å; M193-L197 HydrophobicContact CG-CG 4.06Å; M193-L197 WeakPolarHBondContact O-CB 3.28Å; M193-L197 VanDerWaalsContact O-CG 3.23Å; M193-L197 WeakPolarHBondContact O-CG 3.47Å; M193-L197 PolarHBondContact O-N 2.76Å; M193-L197 HydrophobicContact SD-CD1 4.43Å; T194-L197 PolarHBondContact O-N 3.28Å; L197-K199 PolarHBondContact O-N 2.83Å; L197-K199 VanDerWaalsContact O-N 3.09Å; L197-I200 HydrophobicContact CD2-CD1 3.62Å; L197-I200 WeakPolarHBondContact O-CB 3.26Å; L197-I200 PolarHBondContact O-N 3.13Å; L197-A206 HydrophobicContact CD2-CB 3.84Å; L197-D209 HydrophobicContact CD1-CB 4.43Å; L197-D209 HydrophobicContact CD2-CB 3.74Å; L197-V298 HydrophobicContact CD1-CB 4.3Å; L197-V298 HydrophobicContact CD1-CG1 3.69Å; L197-V298 HydrophobicContact CD1-CG2 4.02Å; L197-L302 HydrophobicContact CB-CD2 3.9Å; L197-L302 HydrophobicContact CB-CG 4.02Å; L197-L302 HydrophobicContact CD1-CD1 4.18Å; L197-L302 HydrophobicContact CD1-CG 4.19Å; L197-L302 HydrophobicContact CD2-CD1 4.45Å; L197-L302 HydrophobicContact CD2-CD2 4.02Å; L197-L302 HydrophobicContact CD2-CG 4.4Å; L197-L302 HydrophobicContact CG-CD2 4.39Å; L197-L302 HydrophobicContact CG-CG 4.43Å
198	S	93.2	Very high	93.7	Very high	47 Å²	47	62.1 Å²	62.1	33%	0.329	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-22.7	175.9	77.6	0	0	0	0	113.7	T194 E195 H196 E301	T194-S198 WeakPolarHBondContact O-CB 3.43Å; T194-S198 PolarHBondContact O-N 3.09Å; E195-S198 PolarHBondContact O-OG 3.37Å; H196-S198 VanDerWaalsContact C-N 3.27Å; H196-S198 PolarHBondContact O-N 3.17Å; S198-E301 WeakPolarHBondContact CB-OE2 3.47Å
199	K	94.2	Very high	93.7	Very high	133 Å²	133	59.5 Å²	59.5	58%	0.578	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-8.5	-177.6	-58.5	167.6	-169	167	0	112.6	E195 H196 L197	E195-K199 WeakPolarHBondContact O-CE 3.44Å; E195-K199 IonicContact OE1-NZ 3.47Å; E195-K199 PolarHBondContact OE1-NZ 3.28Å; H196-K199 WeakPolarHBondContact O-CB 3.39Å; H196-K199 PolarHBondContact O-N 2.98Å; H196-K199 VanDerWaalsContact O-N 3.08Å; L197-K199 PolarHBondContact O-N 2.83Å; L197-K199 VanDerWaalsContact O-N 3.09Å
200	I	92	Very high	93.9	Very high	13 Å²	13	58.5 Å²	58.5	7%	0.067	29%	0.288	C	S	.	.			trans	-80	124.7	-174.8	-67.2	-177.7	0	0	0	111.5	L197 N202 E205 A206 R267 L302	L197-I200 HydrophobicContact CD2-CD1 3.62Å; L197-I200 WeakPolarHBondContact O-CB 3.26Å; L197-I200 PolarHBondContact O-N 3.13Å; I200-N202 WeakPolarHBondContact CG2-O 3.24Å; I200-E205 HydrophobicContact CD1-CB 4.35Å; I200-E205 HydrophobicContact CG2-CB 3.94Å; I200-A206 HydrophobicContact CD1-CB 3.89Å; I200-A206 HydrophobicContact CG2-CB 4.45Å; I200-R267 PolarHBondContact O-NH2 2.86Å; I200-L302 HydrophobicContact CB-CD2 4.32Å
201	S	89.1	Confident	94	Very high	108 Å²	108	59.8 Å²	59.8	76%	0.755	29%	0.293	S	S	*	.	S	Bend	trans	-89.9	-32.2	176.9	-61.6	0	0	0	0	113.4	R267	S201-R267 VanDerWaalsContact C-NH2 3.3Å; S201-R267 PolarHBondContact O-NH2 3.31Å
202	N	91.8	Very high	93.8	Very high	71 Å²	71	59.3 Å²	59.3	38%	0.38	29%	0.288	S	S	.	.	S	Bend	trans	-110.5	122.1	-179.5	-175.2	-15.9	0	0	0	110.6	I200 N204 E205	I200-N202 WeakPolarHBondContact CG2-O 3.24Å; N202-N204 PolarHBondContact O-N 2.82Å; N202-N204 VanDerWaalsContact O-N 3.08Å; N202-N204 WeakPolarHBondContact OD1-CB 3.39Å; N202-N204 PolarHBondContact OD1-N 2.68Å; N202-N204 PolarHBondContact OD1-ND2 2.74Å; N202-E205 HydrophobicContact CB-CG 4.37Å; N202-E205 WeakPolarHBondContact O-CB 3.49Å; N202-E205 PolarHBondContact O-N 3.04Å
203	I	93.6	Very high	93.9	Very high	9 Å²	9	51.5 Å²	51.5	5%	0.046	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-57.3	-28	-179.2	-164.9	177.9	0	0	0	113.3	E205 A206 R207 L210 F260 L263 A264 R267 L304	I203-E205 PolarHBondContact O-N 2.82Å; I203-A206 WeakPolarHBondContact O-CB 3.4Å; I203-A206 PolarHBondContact O-N 3.39Å; I203-R207 PolarHBondContact O-N 3.01Å; I203-L210 HydrophobicContact CG1-CD1 4.4Å; I203-F260 HydrophobicContact CG1-CE2 4.21Å; I203-F260 HydrophobicContact CG1-CZ 4.11Å; I203-F260 HydrophobicContact CG2-CZ 4.35Å; I203-F260 WeakPolarHBondContact O-CZ 3.4Å; I203-L263 HydrophobicContact CD1-CB 4.12Å; I203-A264 HydrophobicContact CD1-CB 4.35Å; I203-A264 HydrophobicContact CG2-CB 3.91Å; I203-R267 VanDerWaalsContact CA-NH1 3.32Å; I203-R267 HydrophobicContact CD1-CB 4.49Å; I203-L304 HydrophobicContact CD1-CD2 3.37Å; I203-L304 HydrophobicContact CG1-CD2 4.02Å
204	N	95.2	Very high	93.9	Very high	97 Å²	97	51.1 Å²	51.1	52%	0.519	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-61	-29.9	178.4	-66.5	-63	0	0	0	112.8	N202 A206 R207	N202-N204 PolarHBondContact O-N 2.82Å; N202-N204 VanDerWaalsContact O-N 3.08Å; N202-N204 WeakPolarHBondContact OD1-CB 3.39Å; N202-N204 PolarHBondContact OD1-N 2.68Å; N202-N204 PolarHBondContact OD1-ND2 2.74Å; N204-A206 VanDerWaalsContact C-N 3.29Å; N204-A206 PolarHBondContact O-N 3.23Å; N204-R207 VanDerWaalsContact O-CB 3.3Å; N204-R207 WeakPolarHBondContact O-CB 3.11Å; N204-R207 PolarHBondContact O-N 3.47Å
205	E	95.4	Very high	93.9	Very high	123 Å²	123	50.8 Å²	50.8	58%	0.575	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-69.6	-28.7	175.7	-65.4	167.3	-149.6	0	0	111.8	I200 N202 I203 R207	I200-E205 HydrophobicContact CD1-CB 4.35Å; I200-E205 HydrophobicContact CG2-CB 3.94Å; N202-E205 HydrophobicContact CB-CG 4.37Å; N202-E205 WeakPolarHBondContact O-CB 3.49Å; N202-E205 PolarHBondContact O-N 3.04Å; I203-E205 PolarHBondContact O-N 2.82Å; E205-R207 VanDerWaalsContact C-N 3.31Å; E205-R207 PolarHBondContact O-N 2.84Å
206	A	95.8	Very high	93.7	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-86.1	2	179	0	0	0	0	0	113.8	L197 I200 I203 N204 Q208 D209 L210 L302	L197-A206 HydrophobicContact CD2-CB 3.84Å; I200-A206 HydrophobicContact CD1-CB 3.89Å; I200-A206 HydrophobicContact CG2-CB 4.45Å; I203-A206 WeakPolarHBondContact O-CB 3.4Å; I203-A206 PolarHBondContact O-N 3.39Å; N204-A206 VanDerWaalsContact C-N 3.29Å; N204-A206 PolarHBondContact O-N 3.23Å; A206-Q208 VanDerWaalsContact C-N 3.33Å; A206-Q208 PolarHBondContact O-N 2.98Å; A206-D209 PolarHBondContact O-N 2.98Å; A206-L210 HydrophobicContact CB-CD1 4.41Å; A206-L210 WeakPolarHBondContact O-CB 3.26Å; A206-L210 WeakPolarHBondContact O-CG 3.21Å; A206-L210 PolarHBondContact O-N 2.95Å; A206-L302 HydrophobicContact CB-CD1 3.82Å; A206-L302 HydrophobicContact CB-CD2 3.57Å; A206-L302 HydrophobicContact CB-CG 4.36Å
207	R	96.9	Very high	93.7	Very high	82 Å²	82	41.2 Å²	41.2	31%	0.309	21%	0.21	S	C	.	.	H	α-helix	trans	-60.1	-41.8	-171.5	-178.6	171.4	169.5	73.6	1.6	112.9	I203 N204 E205 W211 F256 D257 F260	I203-R207 PolarHBondContact O-N 3.01Å; N204-R207 VanDerWaalsContact O-CB 3.3Å; N204-R207 WeakPolarHBondContact O-CB 3.11Å; N204-R207 PolarHBondContact O-N 3.47Å; E205-R207 VanDerWaalsContact C-N 3.31Å; E205-R207 PolarHBondContact O-N 2.84Å; R207-W211 WeakPolarHBondContact O-CB 3.33Å; R207-W211 PolarHBondContact O-N 2.67Å; R207-F256 HydrophobicContact CG-CE1 4.27Å; R207-D257 IonicContact CZ-OD1 2.77Å; R207-D257 IonicContact NH1-OD1 3.73Å; R207-D257 IonicContact NH2-OD1 3.75Å; R207-D257 PolarHBondContact NH2-OD1 2.84Å; R207-D257 IonicContact NH2-OD2 3.97Å; R207-F260 HydrophobicContact CB-CD2 4.46Å; R207-F260 HydrophobicContact CB-CE1 4.43Å; R207-F260 HydrophobicContact CB-CE2 3.68Å; R207-F260 HydrophobicContact CB-CZ 3.67Å; R207-F260 HydrophobicContact CG-CD2 4.11Å; R207-F260 HydrophobicContact CG-CE1 4.34Å; R207-F260 HydrophobicContact CG-CE2 3.81Å; R207-F260 HydrophobicContact CG-CZ 3.94Å; R207-F260 VanDerWaalsContact NH1-CB 3.31Å; R207-F260 VanDerWaalsContact NH1-CD1 3.26Å
208	Q	93.9	Very high	93.6	Very high	92 Å²	92	41.4 Å²	41.4	43%	0.43	21%	0.211	S	C	.	.	H	α-helix	trans	-71.2	-43	-179.9	-178.9	56.5	27.9	0	0	111.6	A206 W211 E212	A206-Q208 VanDerWaalsContact C-N 3.33Å; A206-Q208 PolarHBondContact O-N 2.98Å; Q208-W211 WeakPolarHBondContact O-CB 3.49Å; Q208-W211 PolarHBondContact O-N 3.4Å; Q208-E212 PolarHBondContact NE2-OE1 2.76Å; Q208-E212 WeakPolarHBondContact O-CG 3.34Å; Q208-E212 PolarHBondContact O-N 2.78Å
209	D	93.6	Very high	93.5	Very high	28 Å²	28	39.1 Å²	39.1	15%	0.15	20%	0.195	C	C	.	.	H	α-helix	trans	-60.1	-47.5	175.7	-64.7	-67.3	0	0	0	111	M193 H196 L197 A206 W211 E212 V213	M193-D209 HydrophobicContact CE-CB 4.14Å; M193-D209 HydrophobicContact CG-CB 4.3Å; M193-D209 HydrophobicContact SD-CB 4.07Å; H196-D209 IonicContact CE1-OD2 2.86Å; H196-D209 IonicContact ND1-OD2 3.41Å; L197-D209 HydrophobicContact CD1-CB 4.43Å; L197-D209 HydrophobicContact CD2-CB 3.74Å; A206-D209 PolarHBondContact O-N 2.98Å; D209-W211 VanDerWaalsContact C-N 3.31Å; D209-W211 PolarHBondContact O-N 2.73Å; D209-E212 PolarHBondContact O-N 3.21Å; D209-E212 VanDerWaalsContact O-N 3.12Å; D209-V213 VanDerWaalsContact O-CG2 3.27Å; D209-V213 WeakPolarHBondContact O-CG2 3.41Å; D209-V213 PolarHBondContact O-N 3.23Å
210	L	96.1	Very high	92.7	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-56.9	-45.7	175.6	-81	167.9	0	0	0	111.3	I203 A206 E212 V213 F214 F256 F260 V298 F299 L302 L304	I203-L210 HydrophobicContact CG1-CD1 4.4Å; A206-L210 HydrophobicContact CB-CD1 4.41Å; A206-L210 WeakPolarHBondContact O-CB 3.26Å; A206-L210 WeakPolarHBondContact O-CG 3.21Å; A206-L210 PolarHBondContact O-N 2.95Å; L210-E212 VanDerWaalsContact C-N 3.28Å; L210-E212 PolarHBondContact O-N 2.81Å; L210-V213 PolarHBondContact O-N 2.94Å; L210-F214 HydrophobicContact CD2-CE2 4.49Å; L210-F214 WeakPolarHBondContact O-CD2 3.31Å; L210-F214 PolarHBondContact O-N 3.13Å; L210-F256 HydrophobicContact CB-CE2 4.41Å; L210-F256 HydrophobicContact CB-CZ 4.18Å; L210-F260 HydrophobicContact CD1-CD2 4.21Å; L210-F260 HydrophobicContact CD1-CE2 3.81Å; L210-V298 HydrophobicContact CD2-CG1 3.75Å; L210-F299 HydrophobicContact CD2-CD1 4.14Å; L210-F299 HydrophobicContact CD2-CE1 3.84Å; L210-L302 HydrophobicContact CD1-CD1 3.89Å; L210-L302 HydrophobicContact CD2-CD1 3.86Å; L210-L302 HydrophobicContact CG-CD1 3.82Å; L210-L304 HydrophobicContact CD2-CD1 4.42Å
211	W	95.3	Very high	91.5	Very high	26 Å²	26	32.6 Å²	32.6	10%	0.098	17%	0.168	C	C	.	.	H	α-helix	trans	-59.3	-39.3	177.9	177.3	-132	0	0	0	112.6	R207 Q208 D209 Q215 R248 I251 N254 F256 I474	R207-W211 WeakPolarHBondContact O-CB 3.33Å; R207-W211 PolarHBondContact O-N 2.67Å; Q208-W211 WeakPolarHBondContact O-CB 3.49Å; Q208-W211 PolarHBondContact O-N 3.4Å; D209-W211 VanDerWaalsContact C-N 3.31Å; D209-W211 PolarHBondContact O-N 2.73Å; W211-Q215 VanDerWaalsContact CD1-NE2 3.27Å; W211-Q215 HydrophobicContact CD2-CG 4.4Å; W211-Q215 HydrophobicContact CH2-CG 4.24Å; W211-Q215 HydrophobicContact CZ2-CG 4.04Å; W211-Q215 WeakPolarHBondContact O-CG 3.29Å; W211-Q215 PolarHBondContact O-N 3.11Å; W211-Q215 VanDerWaalsContact O-N 3.16Å; W211-Q215 PolarHBondContact O-NE2 2.82Å; W211-R248 HydrophobicContact CZ2-CG 4.41Å; W211-I251 HydrophobicContact CH2-CD1 3.73Å; W211-I251 HydrophobicContact CZ2-CD1 4.1Å; W211-N254 WeakPolarHBondContact CH2-ND2 3.49Å; W211-F256 HydrophobicContact CB-CD1 4.46Å; W211-F256 HydrophobicContact CB-CE1 3.8Å; W211-F256 HydrophobicContact CB-CE2 4.39Å; W211-F256 HydrophobicContact CB-CZ 3.75Å; W211-F256 HydrophobicContact CD2-CD1 4.28Å; W211-F256 HydrophobicContact CD2-CE1 4.48Å; W211-F256 HydrophobicContact CD2-CG 4.42Å; W211-F256 HydrophobicContact CE3-CB 3.9Å; W211-F256 AromaticContact CE3-CD1 3.78Å; W211-F256 HydrophobicContact CE3-CD1 3.78Å; W211-F256 AromaticContact CE3-CD2 3.7Å; W211-F256 HydrophobicContact CE3-CD2 3.7Å; W211-F256 HydrophobicContact CE3-CE1 4.21Å; W211-F256 HydrophobicContact CE3-CE2 4.16Å; W211-F256 AromaticContact CE3-CG 3.49Å; W211-F256 HydrophobicContact CE3-CG 3.49Å; W211-F256 VanDerWaalsContact CE3-CG 3.49Å; W211-F256 HydrophobicContact CE3-CZ 4.39Å; W211-F256 HydrophobicContact CG-CE1 4.35Å; W211-F256 HydrophobicContact CZ3-CB 3.72Å; W211-F256 HydrophobicContact CZ3-CD1 4.43Å; W211-F256 HydrophobicContact CZ3-CD2 4.2Å; W211-F256 AromaticContact CZ3-CG 3.86Å; W211-F256 HydrophobicContact CZ3-CG 3.86Å; W211-I474 HydrophobicContact CH2-CD1 3.76Å; W211-I474 HydrophobicContact CZ3-CD1 3.49Å; W211-I474 VanDerWaalsContact CZ3-CD1 3.49Å
212	E	92.4	Very high	90.4	Very high	30 Å²	30	31 Å²	31	14%	0.14	15%	0.145	C	C	.	.	H	α-helix	trans	-67.7	-43	176.3	-71.9	173	-169.5	0	0	111.9	Q208 D209 L210 F214 Q215 I216 L241	Q208-E212 PolarHBondContact NE2-OE1 2.76Å; Q208-E212 WeakPolarHBondContact O-CG 3.34Å; Q208-E212 PolarHBondContact O-N 2.78Å; D209-E212 PolarHBondContact O-N 3.21Å; D209-E212 VanDerWaalsContact O-N 3.12Å; L210-E212 VanDerWaalsContact C-N 3.28Å; L210-E212 PolarHBondContact O-N 2.81Å; E212-F214 PolarHBondContact O-N 2.81Å; E212-Q215 WeakPolarHBondContact O-CB 3.13Å; E212-Q215 PolarHBondContact O-N 2.84Å; E212-Q215 VanDerWaalsContact O-N 3.13Å; E212-I216 WeakPolarHBondContact O-CG1 3.26Å; E212-I216 PolarHBondContact O-N 3.18Å; E212-L241 HydrophobicContact CB-CD2 4.4Å; E212-L241 WeakPolarHBondContact OE2-CD1 3.34Å
213	V	93.8	Very high	88.4	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-63.4	-42.3	177.4	-179.8	0	0	0	0	111.3	M193 D209 L210 Q215 I216 C217 F294 L295 V298	M193-V213 HydrophobicContact CE-CG2 4.31Å; M193-V213 HydrophobicContact SD-CG2 3.31Å; M193-V213 WeakPolarHBondContact SD-CG2 3.42Å; D209-V213 VanDerWaalsContact O-CG2 3.27Å; D209-V213 WeakPolarHBondContact O-CG2 3.41Å; D209-V213 PolarHBondContact O-N 3.23Å; L210-V213 PolarHBondContact O-N 2.94Å; V213-Q215 VanDerWaalsContact C-N 3.28Å; V213-Q215 PolarHBondContact O-N 3.08Å; V213-I216 PolarHBondContact O-N 2.78Å; V213-C217 WeakPolarHBondContact O-CB 3.28Å; V213-C217 PolarHBondContact O-N 2.62Å; V213-C217 PolarHBondContact O-SG 2.85Å; V213-F294 HydrophobicContact CG1-CD1 4.36Å; V213-F294 HydrophobicContact CG1-CE1 4.29Å; V213-F294 HydrophobicContact CG2-CE1 3.97Å; V213-F294 HydrophobicContact CG2-CZ 3.86Å; V213-L295 HydrophobicContact CB-CD1 4.49Å; V213-L295 HydrophobicContact CG1-CB 3.99Å; V213-L295 HydrophobicContact CG1-CD1 3.61Å; V213-L295 HydrophobicContact CG1-CG 4.43Å; V213-V298 HydrophobicContact CG1-CG2 4.25Å; V213-V298 HydrophobicContact CG2-CG1 4.44Å; V213-V298 HydrophobicContact CG2-CG2 3.92Å
214	F	95.3	Very high	85.8	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-61.4	-36.4	173.9	-85.5	-72.1	0	0	0	112.4	L210 E212 C217 L218 F256 L259 L263 L295 F299 I393 L428 L430	L210-F214 HydrophobicContact CD2-CE2 4.49Å; L210-F214 WeakPolarHBondContact O-CD2 3.31Å; L210-F214 PolarHBondContact O-N 3.13Å; E212-F214 PolarHBondContact O-N 2.81Å; F214-C217 PolarHBondContact O-N 2.81Å; F214-L218 VanDerWaalsContact O-CB 3.24Å; F214-L218 WeakPolarHBondContact O-CB 3.45Å; F214-L218 PolarHBondContact O-N 2.86Å; F214-F256 AromaticContact CD2-CD2 3.97Å; F214-F256 HydrophobicContact CD2-CD2 3.97Å; F214-F256 AromaticContact CD2-CE2 3.56Å; F214-F256 HydrophobicContact CD2-CE2 3.56Å; F214-F256 HydrophobicContact CE2-CD2 4.41Å; F214-F256 AromaticContact CE2-CE2 3.95Å; F214-F256 HydrophobicContact CE2-CE2 3.95Å; F214-F256 HydrophobicContact CG-CD2 4.48Å; F214-F256 HydrophobicContact CG-CE2 4.44Å; F214-L259 HydrophobicContact CD1-CD2 4.46Å; F214-L259 HydrophobicContact CE1-CD2 3.78Å; F214-L259 HydrophobicContact CE2-CD2 3.92Å; F214-L259 HydrophobicContact CZ-CD2 3.45Å; F214-L259 VanDerWaalsContact CZ-CD2 3.45Å; F214-L259 HydrophobicContact CZ-CG 4.47Å; F214-L263 HydrophobicContact CE2-CD1 4.1Å; F214-L263 HydrophobicContact CZ-CD1 4.34Å; F214-L295 HydrophobicContact CD1-CD1 4.42Å; F214-L295 HydrophobicContact CE1-CD1 4.19Å; F214-L295 HydrophobicContact CE1-CD2 4.17Å; F214-L295 HydrophobicContact CE2-CD1 4.32Å; F214-L295 HydrophobicContact CZ-CD1 4.15Å; F214-F299 HydrophobicContact CE1-CZ 4.47Å; F214-F299 HydrophobicContact CE2-CE1 4.26Å; F214-F299 HydrophobicContact CE2-CZ 4.28Å; F214-F299 HydrophobicContact CZ-CE1 4.14Å; F214-F299 AromaticContact CZ-CZ 3.7Å; F214-F299 HydrophobicContact CZ-CZ 3.7Å; F214-I393 HydrophobicContact CE1-CD1 4.45Å; F214-L428 HydrophobicContact CD1-CD2 4.17Å; F214-L428 HydrophobicContact CE1-CD2 3.45Å; F214-L428 VanDerWaalsContact CE1-CD2 3.45Å; F214-L428 HydrophobicContact CZ-CD2 4.21Å; F214-L430 HydrophobicContact CD1-CD1 3.95Å; F214-L430 HydrophobicContact CD1-CD2 4.22Å; F214-L430 HydrophobicContact CE1-CD1 4.28Å
215	Q	92.2	Very high	83	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-68.9	-41.4	174.4	-75.9	166.3	97.5	0	0	112.3	W211 E212 V213 C217 L218 W219 L244 I251	W211-Q215 VanDerWaalsContact CD1-NE2 3.27Å; W211-Q215 HydrophobicContact CD2-CG 4.4Å; W211-Q215 HydrophobicContact CH2-CG 4.24Å; W211-Q215 HydrophobicContact CZ2-CG 4.04Å; W211-Q215 WeakPolarHBondContact O-CG 3.29Å; W211-Q215 PolarHBondContact O-N 3.11Å; W211-Q215 VanDerWaalsContact O-N 3.16Å; W211-Q215 PolarHBondContact O-NE2 2.82Å; E212-Q215 WeakPolarHBondContact O-CB 3.13Å; E212-Q215 PolarHBondContact O-N 2.84Å; E212-Q215 VanDerWaalsContact O-N 3.13Å; V213-Q215 VanDerWaalsContact C-N 3.28Å; V213-Q215 PolarHBondContact O-N 3.08Å; Q215-C217 VanDerWaalsContact C-N 3.26Å; Q215-C217 PolarHBondContact O-N 3.47Å; Q215-L218 PolarHBondContact O-N 2.69Å; Q215-W219 WeakPolarHBondContact O-CB 3.28Å; Q215-W219 PolarHBondContact O-N 2.76Å; Q215-L244 HydrophobicContact CB-CD1 4.16Å; Q215-L244 HydrophobicContact CB-CD2 4.12Å; Q215-I251 HydrophobicContact CG-CD1 4.49Å
216	I	90.7	Very high	80	Confident	5 Å²	5	25.3 Å²	25.3	3%	0.026	13%	0.126	C	C	.	.	H	α-helix	trans	-55.8	-47.1	173.1	-66.7	163.5	0	0	0	109.5	L186 L189 E212 V213 G220 F238 L244 F294	L186-I216 HydrophobicContact CD1-CG2 4.49Å; L186-I216 HydrophobicContact CD2-CD1 4.36Å; L186-I216 HydrophobicContact CD2-CG2 4.26Å; L189-I216 HydrophobicContact CD2-CD1 3.84Å; E212-I216 WeakPolarHBondContact O-CG1 3.26Å; E212-I216 PolarHBondContact O-N 3.18Å; V213-I216 PolarHBondContact O-N 2.78Å; I216-G220 PolarHBondContact O-N 3.44Å; I216-F238 HydrophobicContact CB-CE1 4.31Å; I216-F238 HydrophobicContact CG1-CE1 3.89Å; I216-F238 HydrophobicContact CG2-CE1 4.39Å; I216-L244 HydrophobicContact CG1-CD1 3.83Å; I216-F294 HydrophobicContact CD1-CD1 4.49Å; I216-F294 HydrophobicContact CD1-CE1 3.85Å
217	C	92.6	Very high	76.8	Confident	1 Å²	1	29.1 Å²	29.1	1%	0.007	15%	0.146	C	C	.	.	H	α-helix	trans	-66.8	-41.8	179.6	-66.5	0	0	0	0	112.8	V213 F214 Q215 G291 L295 K395 L430	V213-C217 WeakPolarHBondContact O-CB 3.28Å; V213-C217 PolarHBondContact O-N 2.62Å; V213-C217 PolarHBondContact O-SG 2.85Å; F214-C217 PolarHBondContact O-N 2.81Å; Q215-C217 VanDerWaalsContact C-N 3.26Å; Q215-C217 PolarHBondContact O-N 3.47Å; C217-G291 VanDerWaalsContact SG-C 3.59Å; C217-G291 PolarHBondContact SG-O 3Å; C217-L295 VanDerWaalsContact SG-CB 3.54Å; C217-K395 VanDerWaalsContact C-NZ 3.32Å; C217-K395 PolarHBondContact O-NZ 3.22Å; C217-L430 HydrophobicContact CB-CD1 4.39Å
218	L	93.6	Very high	73.6	Confident	4 Å²	4	26.3 Å²	26.3	2%	0.021	14%	0.139	C	C	.	.	H	α-helix	trans	-64.8	-45.7	-179.7	-176.6	66.5	0	0	0	111.2	F214 Q215 I251 L430 T432 A472 I474	F214-L218 VanDerWaalsContact O-CB 3.24Å; F214-L218 WeakPolarHBondContact O-CB 3.45Å; F214-L218 PolarHBondContact O-N 2.86Å; Q215-L218 PolarHBondContact O-N 2.69Å; L218-I251 HydrophobicContact CD2-CD1 3.89Å; L218-I251 HydrophobicContact CD2-CG1 3.99Å; L218-L430 HydrophobicContact CD1-CB 4.06Å; L218-L430 HydrophobicContact CD1-CD2 4.39Å; L218-T432 WeakPolarHBondContact O-CG2 3.39Å; L218-A472 HydrophobicContact CD1-CB 4.04Å; L218-A472 HydrophobicContact CD2-CB 3.69Å; L218-A472 HydrophobicContact CG-CB 3.88Å; L218-I474 HydrophobicContact CD1-CG1 4.28Å; L218-I474 HydrophobicContact CD2-CD1 3.93Å; L218-I474 HydrophobicContact CD2-CG1 3.73Å
219	W	90.1	Very high	70.7	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-90.8	-3.9	-173.6	-61.8	117.2	0	0	0	114.2	Q215 N221 R222 F238 L247 F250 I251 T432 A472	Q215-W219 WeakPolarHBondContact O-CB 3.28Å; Q215-W219 PolarHBondContact O-N 2.76Å; W219-N221 PolarHBondContact O-N 3.36Å; W219-N221 VanDerWaalsContact O-N 3.13Å; W219-R222 HydrophobicContact CE3-CG 4.09Å; W219-R222 HydrophobicContact CZ3-CG 4.42Å; W219-R222 WeakPolarHBondContact O-CB 3.49Å; W219-R222 PolarHBondContact O-N 3.21Å; W219-F238 HydrophobicContact CB-CE2 4.01Å; W219-F238 HydrophobicContact CB-CZ 4Å; W219-L247 HydrophobicContact CB-CD1 4.22Å; W219-L247 HydrophobicContact CD2-CB 4.3Å; W219-L247 HydrophobicContact CD2-CD1 3.97Å; W219-L247 HydrophobicContact CG-CD1 3.8Å; W219-L247 HydrophobicContact CZ2-CB 3.94Å; W219-L247 WeakPolarHBondContact CZ2-O 3.36Å; W219-F250 HydrophobicContact CH2-CB 3.86Å; W219-F250 HydrophobicContact CZ2-CB 4.25Å; W219-I251 HydrophobicContact CZ2-CD1 4.48Å; W219-I251 HydrophobicContact CZ2-CG1 3.7Å; W219-T432 HydrophobicContact CE3-CG2 3.83Å; W219-T432 HydrophobicContact CZ3-CG2 4.02Å; W219-A472 HydrophobicContact CE3-CB 4.41Å; W219-A472 HydrophobicContact CH2-CB 3.41Å; W219-A472 VanDerWaalsContact CH2-CB 3.41Å; W219-A472 HydrophobicContact CZ2-CB 3.82Å; W219-A472 HydrophobicContact CZ3-CB 3.73Å
220	G	78	Confident	67.6	Low	4 Å²	4	31.6 Å²	31.6	4%	0.041	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-52.4	-35.5	175.2	0	0	0	0	0	113	I216 R222 C223 I287	I216-G220 PolarHBondContact O-N 3.44Å; G220-R222 VanDerWaalsContact C-N 3.31Å; G220-R222 PolarHBondContact O-N 3.04Å; G220-C223 WeakPolarHBondContact O-CB 3.31Å; G220-C223 PolarHBondContact O-N 3.04Å; G220-I287 WeakPolarHBondContact O-CG2 3.43Å
221	N	66.4	Low	64.3	Low	4 Å²	4	38.9 Å²	38.9	2%	0.021	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-74.9	-13.1	179.1	-155.9	-19.8	0	0	0	113.9	W219 N284 E288 K434	W219-N221 PolarHBondContact O-N 3.36Å; W219-N221 VanDerWaalsContact O-N 3.13Å; N221-N284 PolarHBondContact ND2-ND2 2.67Å; N221-N284 PolarHBondContact OD1-ND2 3.13Å; N221-E288 VanDerWaalsContact CB-OE2 3.32Å; N221-E288 WeakPolarHBondContact CB-OE2 3.46Å; N221-E288 PolarHBondContact ND2-OE2 3.36Å; N221-E288 VanDerWaalsContact ND2-OE2 3.16Å; N221-K434 PolarHBondContact O-NZ 3.2Å; N221-K434 PolarHBondContact OD1-NZ 2.88Å
222	R	65.8	Low	61.3	Low	76 Å²	76	45.1 Å²	45.1	29%	0.287	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-79.9	-24.6	170	-103.7	-131.5	-158.4	-172.6	19.9	112.5	W219 G220 G469 E470	W219-R222 HydrophobicContact CE3-CG 4.09Å; W219-R222 HydrophobicContact CZ3-CG 4.42Å; W219-R222 WeakPolarHBondContact O-CB 3.49Å; W219-R222 PolarHBondContact O-N 3.21Å; G220-R222 VanDerWaalsContact C-N 3.31Å; G220-R222 PolarHBondContact O-N 3.04Å; R222-G469 WeakPolarHBondContact CG-O 3.25Å; R222-G469 PolarHBondContact NE-O 3.16Å; R222-E470 VanDerWaalsContact CZ-CA 3.41Å; R222-E470 VanDerWaalsContact NH2-C 3.26Å; R222-E470 VanDerWaalsContact NH2-CB 3.27Å; R222-E470 PolarHBondContact NH2-O 3.39Å
223	C	48.6	Very low	58.6	Low	47 Å²	47	47.5 Å²	47.5	32%	0.318	27%	0.265	S	S	.	.	S	Bend	trans	-75.9	-17.9	171.2	-64	0	0	0	0	111.9	G220 F238 I287	G220-C223 WeakPolarHBondContact O-CB 3.31Å; G220-C223 PolarHBondContact O-N 3.04Å; C223-F238 VanDerWaalsContact SG-CD2 3.55Å; C223-I287 HydrophobicContact CB-CD1 4.12Å; C223-I287 HydrophobicContact CB-CG2 3.77Å
224	D	40.7	Very low	55.9	Low	14 Å²	14	55.4 Å²	55.4	8%	0.075	30%	0.3	C	S	.	.	S	Bend	trans	-82.5	133.2	-179.2	-160.1	20.3	0	0	0	111.9	S175 S226	S175-D224 PolarHBondContact OG-OD1 3.24Å; D224-S226 PolarHBondContact O-N 2.75Å
225	L	36.7	Very low	53.2	Low	58 Å²	58	58.6 Å²	58.6	30%	0.304	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	18.5	-161.7	-70.4	151.4	0	0	0	116.5	S228 Q232	L225-S228 PolarHBondContact O-OG 3.22Å; L225-Q232 HydrophobicContact CD2-CG 4.44Å
226	S	32	Very low	50.5	Low	60 Å²	60	64 Å²	64	42%	0.42	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-19.8	-173.6	49.6	0	0	0	0	114.6	D224 K434	D224-S226 PolarHBondContact O-N 2.75Å; S226-K434 PolarHBondContact OG-NZ 3.25Å
227	L	28.9	Very low	48.4	Very low	80 Å²	80	69.7 Å²	69.7	42%	0.419	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-10.6	-177.1	-75.6	154.7	0	0	0	114.5	L467 T468	L227-L467 WeakPolarHBondContact CD2-O 3.42Å; L227-T468 WeakPolarHBondContact CD1-O 3.46Å; L227-T468 WeakPolarHBondContact CD2-O 3.38Å
228	S	29.8	Very low	46.3	Very low	24 Å²	24	70.3 Å²	70.3	17%	0.168	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	13.3	-174.1	53	0	0	0	0	113.8	L225 G230 E231	L225-S228 PolarHBondContact O-OG 3.22Å; S228-G230 PolarHBondContact O-N 2.92Å; S228-E231 WeakPolarHBondContact CB-O 3.47Å; S228-E231 PolarHBondContact O-N 3.39Å; S228-E231 PolarHBondContact OG-O 3.47Å
229	D	32	Very low	44.2	Very low	170 Å²	170	73.5 Å²	73.5	91%	0.909	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	26	-176.8	-89	-26.5	0	0	0	113.3
230	G	29.5	Very low	42.5	Very low	60 Å²	60	76.9 Å²	76.9	62%	0.619	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.8	4.6	-176.9	0	0	0	0	0	115.9	S228	S228-G230 PolarHBondContact O-N 2.92Å
231	E	25.5	Very low	41.7	Very low	153 Å²	153	79 Å²	79	72%	0.715	43%	0.431	S	S	*	.			trans	-85.8	134.3	170.8	-66	-153.4	158.8	0	0	112	S228 V233	S228-E231 WeakPolarHBondContact CB-O 3.47Å; S228-E231 PolarHBondContact O-N 3.39Å; S228-E231 PolarHBondContact OG-O 3.47Å; E231-V233 PolarHBondContact O-N 3.14Å
232	Q	33.7	Very low	41.5	Very low	157 Å²	157	85.2 Å²	85.2	73%	0.734	46%	0.459	S	S	*	.			trans	-66.9	108.8	-179.7	-64.5	-168.5	-4.8	0	0	110.2	L225 K234	L225-Q232 HydrophobicContact CD2-CG 4.44Å; Q232-K234 PolarHBondContact O-N 2.93Å; Q232-K234 VanDerWaalsContact O-N 3.13Å
233	V	35.7	Very low	41.9	Very low	80 Å²	80	82.8 Å²	82.8	49%	0.485	45%	0.454	S	S	.	.			trans	-66.4	114.5	167.8	-177.1	0	0	0	0	106.3	E231 S235	E231-V233 PolarHBondContact O-N 3.14Å; V233-S235 PolarHBondContact O-N 3.25Å
234	K	35.2	Very low	43.3	Very low	167 Å²	167	80.7 Å²	80.7	73%	0.726	44%	0.44	S	S	*	.			trans	-50.2	125.6	179.7	-69.2	-179.2	177.4	-179.7	0	109.2	Q232 D236	Q232-K234 PolarHBondContact O-N 2.93Å; Q232-K234 VanDerWaalsContact O-N 3.13Å; K234-D236 PolarHBondContact O-N 3.41Å
235	S	39.2	Very low	45.3	Very low	67 Å²	67	82.2 Å²	82.2	47%	0.469	45%	0.454	S	S	.	.	G	3₁₀ helix	trans	-62.3	10.3	-173.2	40.9	0	0	0	0	116.1	T182 V233 H237	T182-S235 WeakPolarHBondContact OG1-CB 3.19Å; V233-S235 PolarHBondContact O-N 3.25Å; S235-H237 PolarHBondContact O-N 3.07Å; S235-H237 VanDerWaalsContact O-N 3.11Å
236	D	36.8	Very low	47.6	Very low	114 Å²	114	86.6 Å²	86.6	61%	0.61	47%	0.471	S	S	*	.	G	3₁₀ helix	trans	-67.9	-11.6	-173.4	-70.9	-22.2	0	0	0	113.9	K234 F238	K234-D236 PolarHBondContact O-N 3.41Å; D236-F238 VanDerWaalsContact C-N 3.33Å; D236-F238 PolarHBondContact O-N 3.37Å
237	H	46.1	Very low	50.3	Low	123 Å²	123	85.3 Å²	85.3	57%	0.569	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-75.6	-13.1	-173.3	-68.8	-44.6	0	0	0	115.4	S235 S243	S235-H237 PolarHBondContact O-N 3.07Å; S235-H237 VanDerWaalsContact O-N 3.11Å; H237-S243 WeakPolarHBondContact O-CB 3.5Å; H237-S243 PolarHBondContact O-OG 3.24Å
238	F	48.2	Very low	53.3	Low	15 Å²	15	85.8 Å²	85.8	7%	0.066	46%	0.455	C	S	.	.	G	3₁₀ helix	trans	-121.6	4.5	-175.9	-104.8	-84.5	0	0	0	115.6	T182 L186 I216 W219 C223 D236 D240 L244	T182-F238 HydrophobicContact CG2-CB 3.79Å; L186-F238 HydrophobicContact CD2-CD1 4.1Å; I216-F238 HydrophobicContact CB-CE1 4.31Å; I216-F238 HydrophobicContact CG1-CE1 3.89Å; I216-F238 HydrophobicContact CG2-CE1 4.39Å; W219-F238 HydrophobicContact CB-CE2 4.01Å; W219-F238 HydrophobicContact CB-CZ 4Å; C223-F238 VanDerWaalsContact SG-CD2 3.55Å; D236-F238 VanDerWaalsContact C-N 3.33Å; D236-F238 PolarHBondContact O-N 3.37Å; F238-D240 PolarHBondContact O-N 2.76Å; F238-D240 VanDerWaalsContact O-N 3.1Å; F238-L244 HydrophobicContact CD1-CD2 4.37Å; F238-L244 HydrophobicContact CE1-CD1 4.06Å; F238-L244 HydrophobicContact CE1-CD2 3.4Å; F238-L244 VanDerWaalsContact CE1-CD2 3.4Å; F238-L244 HydrophobicContact CE1-CG 3.91Å; F238-L244 HydrophobicContact CE2-CD2 4.14Å; F238-L244 HydrophobicContact CZ-CD2 3.29Å; F238-L244 HydrophobicContact CZ-CG 4.29Å
239	S	48.5	Very low	56.3	Low	71 Å²	71	89.5 Å²	89.5	50%	0.497	48%	0.479	S	S	.	.	S	Bend	trans	-66.5	-13	-177.6	62.7	0	0	0	0	114.2
240	D	54.7	Low	59.2	Low	70 Å²	70	84 Å²	84	37%	0.374	45%	0.447	S	S	.	.	S	Bend	trans	-144.7	136.5	177.2	-168.8	-12.3	0	0	0	110.3	F238 Q242 S243	F238-D240 PolarHBondContact O-N 2.76Å; F238-D240 VanDerWaalsContact O-N 3.1Å; D240-Q242 HydrophobicContact CB-CB 4.38Å; D240-Q242 PolarHBondContact O-N 2.91Å; D240-Q242 PolarHBondContact OD1-N 3.02Å; D240-Q242 VanDerWaalsContact OD1-N 3.12Å; D240-Q242 VanDerWaalsContact OD2-CD 3.25Å; D240-Q242 WeakPolarHBondContact OD2-CG 3.23Å; D240-Q242 PolarHBondContact OD2-NE2 3.42Å; D240-S243 WeakPolarHBondContact O-CB 3.39Å; D240-S243 PolarHBondContact O-N 3.02Å
241	L	61.1	Low	62.3	Low	50 Å²	50	82 Å²	82	26%	0.262	42%	0.422	S	S	.	.	H	α-helix	trans	-52.1	-25.4	171.3	-72.8	169.2	0	0	0	112	L189 E212 S243 L244	L189-L241 HydrophobicContact CD1-CD1 4.05Å; L189-L241 HydrophobicContact CD2-CD2 3.85Å; L189-L241 HydrophobicContact CD2-CG 4.33Å; E212-L241 HydrophobicContact CB-CD2 4.4Å; E212-L241 WeakPolarHBondContact OE2-CD1 3.34Å; L241-S243 PolarHBondContact O-N 3.09Å; L241-L244 HydrophobicContact CD2-CD1 3.9Å; L241-L244 WeakPolarHBondContact O-CB 3.15Å; L241-L244 PolarHBondContact O-N 3.44Å; L241-L244 VanDerWaalsContact O-N 3.1Å
242	Q	63.8	Low	65.8	Low	133 Å²	133	75.6 Å²	75.6	62%	0.621	39%	0.392	S	S	*	.	H	α-helix	trans	-58.1	-30	172.5	-66.6	-176.8	29.5	0	0	113.5	D240 L244 A245	D240-Q242 HydrophobicContact CB-CB 4.38Å; D240-Q242 PolarHBondContact O-N 2.91Å; D240-Q242 PolarHBondContact OD1-N 3.02Å; D240-Q242 VanDerWaalsContact OD1-N 3.12Å; D240-Q242 VanDerWaalsContact OD2-CD 3.25Å; D240-Q242 WeakPolarHBondContact OD2-CG 3.23Å; D240-Q242 PolarHBondContact OD2-NE2 3.42Å; Q242-L244 VanDerWaalsContact C-N 3.34Å; Q242-A245 WeakPolarHBondContact O-CB 3.26Å; Q242-A245 PolarHBondContact O-N 3.17Å
243	S	72.3	Confident	68.8	Low	26 Å²	26	68.6 Å²	68.6	18%	0.182	36%	0.36	C	S	.	.	H	α-helix	trans	-69.2	-32.8	176.5	-65.5	0	0	0	0	112.2	H237 D240 L241 A245 K246	H237-S243 WeakPolarHBondContact O-CB 3.5Å; H237-S243 PolarHBondContact O-OG 3.24Å; D240-S243 WeakPolarHBondContact O-CB 3.39Å; D240-S243 PolarHBondContact O-N 3.02Å; L241-S243 PolarHBondContact O-N 3.09Å; S243-A245 VanDerWaalsContact C-N 3.3Å; S243-A245 PolarHBondContact O-N 3.21Å; S243-K246 WeakPolarHBondContact O-CB 3.43Å; S243-K246 PolarHBondContact O-N 3.08Å
244	L	79.9	Confident	71.8	Confident	3 Å²	3	68.2 Å²	68.2	2%	0.016	36%	0.355	C	S	.	.	H	α-helix	trans	-63.5	-37.6	174.4	-69.8	176.3	0	0	0	111.8	Q215 I216 F238 L241 Q242 K246 L247 R248	Q215-L244 HydrophobicContact CB-CD1 4.16Å; Q215-L244 HydrophobicContact CB-CD2 4.12Å; I216-L244 HydrophobicContact CG1-CD1 3.83Å; F238-L244 HydrophobicContact CD1-CD2 4.37Å; F238-L244 HydrophobicContact CE1-CD1 4.06Å; F238-L244 HydrophobicContact CE1-CD2 3.4Å; F238-L244 VanDerWaalsContact CE1-CD2 3.4Å; F238-L244 HydrophobicContact CE1-CG 3.91Å; F238-L244 HydrophobicContact CE2-CD2 4.14Å; F238-L244 HydrophobicContact CZ-CD2 3.29Å; F238-L244 HydrophobicContact CZ-CG 4.29Å; L241-L244 HydrophobicContact CD2-CD1 3.9Å; L241-L244 WeakPolarHBondContact O-CB 3.15Å; L241-L244 PolarHBondContact O-N 3.44Å; L241-L244 VanDerWaalsContact O-N 3.1Å; Q242-L244 VanDerWaalsContact C-N 3.34Å; L244-K246 PolarHBondContact O-N 3.38Å; L244-L247 HydrophobicContact CD2-CD1 4.49Å; L244-L247 PolarHBondContact O-N 2.83Å; L244-R248 PolarHBondContact O-N 3.06Å
245	A	81.2	Confident	74.8	Confident	45 Å²	45	62.9 Å²	62.9	37%	0.372	33%	0.333	S	S	.	.	H	α-helix	trans	-59.5	-33.2	177.6	0	0	0	0	0	112.3	Q242 S243 L247 R248	Q242-A245 WeakPolarHBondContact O-CB 3.26Å; Q242-A245 PolarHBondContact O-N 3.17Å; S243-A245 VanDerWaalsContact C-N 3.3Å; S243-A245 PolarHBondContact O-N 3.21Å; A245-L247 VanDerWaalsContact C-N 3.28Å; A245-L247 PolarHBondContact O-N 2.98Å; A245-R248 PolarHBondContact O-N 3.41Å
246	K	85.3	Confident	77.6	Confident	151 Å²	151	60 Å²	60	66%	0.657	31%	0.312	S	S	*	.	H	α-helix	trans	-71.6	-21.8	176.1	-60.8	175.7	-176.7	170.5	0	113.1	S243 L244 P249	S243-K246 WeakPolarHBondContact O-CB 3.43Å; S243-K246 PolarHBondContact O-N 3.08Å; L244-K246 PolarHBondContact O-N 3.38Å; K246-P249 WeakPolarHBondContact O-CD 3.18Å
247	L	89.1	Confident	80.5	Confident	32 Å²	32	58.3 Å²	58.3	17%	0.168	30%	0.303	C	S	.	.	H	α-helix	trans	-88.2	-18.1	178.8	-61.9	177.8	0	0	0	113	W219 L244 A245 P249 F250	W219-L247 HydrophobicContact CB-CD1 4.22Å; W219-L247 HydrophobicContact CD2-CB 4.3Å; W219-L247 HydrophobicContact CD2-CD1 3.97Å; W219-L247 HydrophobicContact CG-CD1 3.8Å; W219-L247 HydrophobicContact CZ2-CB 3.94Å; W219-L247 WeakPolarHBondContact CZ2-O 3.36Å; L244-L247 HydrophobicContact CD2-CD1 4.49Å; L244-L247 PolarHBondContact O-N 2.83Å; A245-L247 VanDerWaalsContact C-N 3.28Å; A245-L247 PolarHBondContact O-N 2.98Å; L247-P249 VanDerWaalsContact C-CD 3.44Å; L247-F250 WeakPolarHBondContact O-CB 3.48Å; L247-F250 PolarHBondContact O-N 2.87Å
248	R	91.5	Very high	83	Confident	90 Å²	90	56.4 Å²	56.4	34%	0.34	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-52.5	-42.3	-179.7	-67.8	176.3	-173.8	169.4	5	114.4	W211 L244 A245 F250 I251	W211-R248 HydrophobicContact CZ2-CG 4.41Å; L244-R248 PolarHBondContact O-N 3.06Å; A245-R248 PolarHBondContact O-N 3.41Å; R248-F250 PolarHBondContact O-N 3.36Å; R248-F250 VanDerWaalsContact O-N 3.11Å; R248-I251 WeakPolarHBondContact O-CB 3.32Å; R248-I251 PolarHBondContact O-N 3.08Å; R248-I251 VanDerWaalsContact O-N 3.08Å
249	P	92.2	Very high	85.4	Confident	103 Å²	103	55.7 Å²	55.7	67%	0.669	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-63	-16.4	177.8	-23.4	36	0	0	0	114.4	K246 L247	K246-P249 WeakPolarHBondContact O-CD 3.18Å; L247-P249 VanDerWaalsContact C-CD 3.44Å
250	F	93.2	Very high	87.8	Confident	55 Å²	55	52.7 Å²	52.7	24%	0.241	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-89.8	0	178.4	-60.5	-90.8	0	0	0	113	W219 L247 R248 L252 Y471 A472	W219-F250 HydrophobicContact CH2-CB 3.86Å; W219-F250 HydrophobicContact CZ2-CB 4.25Å; L247-F250 WeakPolarHBondContact O-CB 3.48Å; L247-F250 PolarHBondContact O-N 2.87Å; R248-F250 PolarHBondContact O-N 3.36Å; R248-F250 VanDerWaalsContact O-N 3.11Å; F250-L252 PolarHBondContact O-N 3.1Å; F250-Y471 HydrophobicContact CB-CD1 4.32Å; F250-Y471 HydrophobicContact CD1-CD1 4.05Å; F250-Y471 AromaticContact CD1-CE1 3.7Å; F250-Y471 HydrophobicContact CD1-CE1 3.7Å; F250-Y471 HydrophobicContact CE1-CE1 4.36Å; F250-Y471 WeakPolarHBondContact O-CA 3.39Å; F250-A472 PolarHBondContact O-N 2.92Å
251	I	96.3	Very high	89.8	Confident	17 Å²	17	55.7 Å²	55.7	9%	0.087	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	101.2	170.6	-54	177	0	0	0	107.9	W211 Q215 L218 W219 R248 V253 N254 A472 I474	W211-I251 HydrophobicContact CH2-CD1 3.73Å; W211-I251 HydrophobicContact CZ2-CD1 4.1Å; Q215-I251 HydrophobicContact CG-CD1 4.49Å; L218-I251 HydrophobicContact CD2-CD1 3.89Å; L218-I251 HydrophobicContact CD2-CG1 3.99Å; W219-I251 HydrophobicContact CZ2-CD1 4.48Å; W219-I251 HydrophobicContact CZ2-CG1 3.7Å; R248-I251 WeakPolarHBondContact O-CB 3.32Å; R248-I251 PolarHBondContact O-N 3.08Å; R248-I251 VanDerWaalsContact O-N 3.08Å; I251-V253 VanDerWaalsContact CG2-O 3.28Å; I251-V253 WeakPolarHBondContact CG2-O 3.38Å; I251-N254 HydrophobicContact CG2-CB 3.98Å; I251-A472 CarbonylContact C-O 3.57Å; I251-A472 WeakPolarHBondContact CA-O 3.35Å; I251-I474 HydrophobicContact CD1-CD1 4.3Å; I251-I474 HydrophobicContact CG2-CD1 4.28Å; I251-I474 HydrophobicContact CG2-CG1 4.16Å
252	L	97.1	Very high	91.5	Very high	19 Å²	19	54 Å²	54	10%	0.099	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	-37.1	-173.9	-61.3	-175.9	0	0	0	112.7	F250 I433 L441 Q445 V449 W465 Y471 A472 V473	F250-L252 PolarHBondContact O-N 3.1Å; L252-I433 HydrophobicContact CD1-CD1 3.93Å; L252-L441 HydrophobicContact CB-CD2 4Å; L252-L441 HydrophobicContact CD1-CD2 4.41Å; L252-Q445 PolarHBondContact O-NE2 2.87Å; L252-V449 HydrophobicContact CD1-CG2 4.16Å; L252-V449 HydrophobicContact CD2-CG2 3.58Å; L252-W465 HydrophobicContact CD1-CH2 3.75Å; L252-W465 HydrophobicContact CD1-CZ3 3.5Å; L252-Y471 HydrophobicContact CD1-CD1 4.15Å; L252-Y471 HydrophobicContact CD1-CG 4.25Å; L252-Y471 HydrophobicContact CD2-CD1 3.67Å; L252-Y471 HydrophobicContact CD2-CE1 4.29Å; L252-Y471 HydrophobicContact CG-CD1 3.97Å; L252-Y471 HydrophobicContact CG-CG 4.42Å; L252-A472 PolarHBondContact N-O 3.03Å; L252-V473 HydrophobicContact CB-CG1 4.29Å
253	V	98	Very high	93.1	Very high	9 Å²	9	47.8 Å²	47.8	6%	0.055	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	126.5	174.9	-176	0	0	0	0	107.6	I251 H255 G440 L441 V473 I474 Q475	I251-V253 VanDerWaalsContact CG2-O 3.28Å; I251-V253 WeakPolarHBondContact CG2-O 3.38Å; V253-H255 VanDerWaalsContact CG1-NE2 3.28Å; V253-H255 WeakPolarHBondContact CG1-NE2 3.24Å; V253-G440 WeakPolarHBondContact CG2-O 3.24Å; V253-L441 HydrophobicContact CG2-CD2 3.65Å; V253-V473 HydrophobicContact CB-CB 4.13Å; V253-V473 HydrophobicContact CB-CG1 3.97Å; V253-V473 HydrophobicContact CG2-CG1 3.96Å; V253-I474 PolarHBondContact O-N 3.32Å; V253-Q475 HydrophobicContact CB-CG 4.05Å; V253-Q475 HydrophobicContact CG1-CG 3.78Å
254	N	98	Very high	94.2	Very high	72 Å²	72	47.6 Å²	47.6	39%	0.385	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	95.1	-178	-175.5	9.6	0	0	0	110.7	W211 I251 F256	W211-N254 WeakPolarHBondContact CH2-ND2 3.49Å; I251-N254 HydrophobicContact CG2-CB 3.98Å; N254-F256 VanDerWaalsContact C-N 3.34Å; N254-F256 WeakPolarHBondContact OD1-CB 3.2Å; N254-F256 PolarHBondContact OD1-N 3.41Å; N254-F256 VanDerWaalsContact OD1-N 3.13Å
255	H	98.3	Very high	94.9	Very high	55 Å²	55	52.8 Å²	52.8	26%	0.255	26%	0.264	S	S	.	.			trans	-96.7	29.2	174.7	-58.9	172.2	0	0	0	112.7	V253 D257 E258 L259 I474 F476	V253-H255 VanDerWaalsContact CG1-NE2 3.28Å; V253-H255 WeakPolarHBondContact CG1-NE2 3.24Å; H255-D257 PolarHBondContact O-N 2.94Å; H255-E258 VanDerWaalsContact C-OE2 3.28Å; H255-E258 WeakPolarHBondContact CA-OE2 3.13Å; H255-E258 PolarHBondContact O-N 2.85Å; H255-L259 WeakPolarHBondContact O-CB 3.44Å; H255-L259 PolarHBondContact O-N 2.93Å; H255-I474 PolarHBondContact N-O 3.47Å; H255-F476 HydrophobicContact CB-CB 3.65Å; H255-F476 PolarHBondContact ND1-N 3.13Å; H255-F476 PolarHBondContact ND1-O 3.36Å
256	F	98.4	Very high	95.6	Very high	6 Å²	6	50.9 Å²	50.9	3%	0.026	25%	0.247	C	C	.	.	H	α-helix	trans	-62.2	-31.6	179.4	176.5	-105.2	0	0	0	112.5	R207 L210 W211 F214 N254 L259 F260	R207-F256 HydrophobicContact CG-CE1 4.27Å; L210-F256 HydrophobicContact CB-CE2 4.41Å; L210-F256 HydrophobicContact CB-CZ 4.18Å; W211-F256 HydrophobicContact CB-CD1 4.46Å; W211-F256 HydrophobicContact CB-CE1 3.8Å; W211-F256 HydrophobicContact CB-CE2 4.39Å; W211-F256 HydrophobicContact CB-CZ 3.75Å; W211-F256 HydrophobicContact CD2-CD1 4.28Å; W211-F256 HydrophobicContact CD2-CE1 4.48Å; W211-F256 HydrophobicContact CD2-CG 4.42Å; W211-F256 HydrophobicContact CE3-CB 3.9Å; W211-F256 AromaticContact CE3-CD1 3.78Å; W211-F256 HydrophobicContact CE3-CD1 3.78Å; W211-F256 AromaticContact CE3-CD2 3.7Å; W211-F256 HydrophobicContact CE3-CD2 3.7Å; W211-F256 HydrophobicContact CE3-CE1 4.21Å; W211-F256 HydrophobicContact CE3-CE2 4.16Å; W211-F256 AromaticContact CE3-CG 3.49Å; W211-F256 HydrophobicContact CE3-CG 3.49Å; W211-F256 VanDerWaalsContact CE3-CG 3.49Å; W211-F256 HydrophobicContact CE3-CZ 4.39Å; W211-F256 HydrophobicContact CG-CE1 4.35Å; W211-F256 HydrophobicContact CZ3-CB 3.72Å; W211-F256 HydrophobicContact CZ3-CD1 4.43Å; W211-F256 HydrophobicContact CZ3-CD2 4.2Å; W211-F256 AromaticContact CZ3-CG 3.86Å; W211-F256 HydrophobicContact CZ3-CG 3.86Å; F214-F256 AromaticContact CD2-CD2 3.97Å; F214-F256 HydrophobicContact CD2-CD2 3.97Å; F214-F256 AromaticContact CD2-CE2 3.56Å; F214-F256 HydrophobicContact CD2-CE2 3.56Å; F214-F256 HydrophobicContact CE2-CD2 4.41Å; F214-F256 AromaticContact CE2-CE2 3.95Å; F214-F256 HydrophobicContact CE2-CE2 3.95Å; F214-F256 HydrophobicContact CG-CD2 4.48Å; F214-F256 HydrophobicContact CG-CE2 4.44Å; N254-F256 VanDerWaalsContact C-N 3.34Å; N254-F256 WeakPolarHBondContact OD1-CB 3.2Å; N254-F256 PolarHBondContact OD1-N 3.41Å; N254-F256 VanDerWaalsContact OD1-N 3.13Å; F256-L259 HydrophobicContact CD2-CD2 4.39Å; F256-L259 PolarHBondContact O-N 2.79Å; F256-F260 HydrophobicContact CE1-CD2 4.49Å; F256-F260 HydrophobicContact CZ-CD2 4.06Å; F256-F260 VanDerWaalsContact O-CB 3.25Å; F256-F260 WeakPolarHBondContact O-CB 3.27Å; F256-F260 PolarHBondContact O-N 3.3Å
257	D	98.2	Very high	96	Very high	79 Å²	79	45.3 Å²	45.3	42%	0.422	22%	0.222	S	C	.	.	H	α-helix	trans	-69.3	-42.7	-178.3	-72	-0.4	0	0	0	111.7	R207 H255 F260 K261	R207-D257 IonicContact CZ-OD1 2.77Å; R207-D257 IonicContact NH1-OD1 3.73Å; R207-D257 IonicContact NH2-OD1 3.75Å; R207-D257 PolarHBondContact NH2-OD1 2.84Å; R207-D257 IonicContact NH2-OD2 3.97Å; H255-D257 PolarHBondContact O-N 2.94Å; D257-F260 PolarHBondContact O-N 3.26Å; D257-K261 WeakPolarHBondContact O-CG 3.42Å; D257-K261 PolarHBondContact O-N 2.88Å
258	E	98.1	Very high	96.2	Very high	83 Å²	83	49.3 Å²	49.3	39%	0.388	24%	0.244	S	C	.	.	H	α-helix	trans	-65.2	-45.8	173.8	-64	75.5	-167.3	0	0	110.9	H255 F260 K261 L262 F476	H255-E258 VanDerWaalsContact C-OE2 3.28Å; H255-E258 WeakPolarHBondContact CA-OE2 3.13Å; H255-E258 PolarHBondContact O-N 2.85Å; E258-F260 VanDerWaalsContact C-N 3.33Å; E258-F260 PolarHBondContact O-N 3.4Å; E258-K261 WeakPolarHBondContact O-CB 3.42Å; E258-K261 PolarHBondContact O-N 3.34Å; E258-L262 PolarHBondContact O-N 2.93Å; E258-F476 HydrophobicContact CB-CD1 3.62Å; E258-F476 HydrophobicContact CB-CE1 4.08Å
259	L	98.1	Very high	96.2	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-57.9	-45.1	174.7	174.1	66.3	0	0	0	111.6	F214 H255 F256 K261 L262 L263 L391 L428 F476	F214-L259 HydrophobicContact CD1-CD2 4.46Å; F214-L259 HydrophobicContact CE1-CD2 3.78Å; F214-L259 HydrophobicContact CE2-CD2 3.92Å; F214-L259 HydrophobicContact CZ-CD2 3.45Å; F214-L259 VanDerWaalsContact CZ-CD2 3.45Å; F214-L259 HydrophobicContact CZ-CG 4.47Å; H255-L259 WeakPolarHBondContact O-CB 3.44Å; H255-L259 PolarHBondContact O-N 2.93Å; F256-L259 HydrophobicContact CD2-CD2 4.39Å; F256-L259 PolarHBondContact O-N 2.79Å; L259-K261 VanDerWaalsContact C-N 3.29Å; L259-K261 PolarHBondContact O-N 2.78Å; L259-L262 WeakPolarHBondContact O-CA 3.49Å; L259-L262 WeakPolarHBondContact O-CB 3.43Å; L259-L262 PolarHBondContact O-N 3.21Å; L259-L263 HydrophobicContact CD1-CG 4.32Å; L259-L263 HydrophobicContact CG-CD1 4.18Å; L259-L263 HydrophobicContact CG-CG 4.31Å; L259-L263 WeakPolarHBondContact O-CG 3.31Å; L259-L263 PolarHBondContact O-N 2.95Å; L259-L391 HydrophobicContact CD1-CD1 4.33Å; L259-L391 HydrophobicContact CD1-CD2 3.67Å; L259-L428 HydrophobicContact CD1-CD2 4.29Å; L259-L428 HydrophobicContact CD2-CD1 3.92Å; L259-L428 HydrophobicContact CD2-CD2 3.53Å; L259-L428 HydrophobicContact CD2-CG 4.33Å; L259-F476 HydrophobicContact CB-CD2 4.47Å; L259-F476 HydrophobicContact CB-CG 4.3Å; L259-F476 HydrophobicContact CD1-CD2 4.04Å; L259-F476 HydrophobicContact CD1-CE2 4.25Å
260	F	98.3	Very high	96.3	Very high	9 Å²	9	45.3 Å²	45.3	4%	0.039	22%	0.22	C	C	.	.	H	α-helix	trans	-62.6	-36.8	-178.7	-172.8	-93.4	0	0	0	112.1	I203 R207 L210 F256 D257 E258 L262 L263 A264	I203-F260 HydrophobicContact CG1-CE2 4.21Å; I203-F260 HydrophobicContact CG1-CZ 4.11Å; I203-F260 HydrophobicContact CG2-CZ 4.35Å; I203-F260 WeakPolarHBondContact O-CZ 3.4Å; R207-F260 HydrophobicContact CB-CD2 4.46Å; R207-F260 HydrophobicContact CB-CE1 4.43Å; R207-F260 HydrophobicContact CB-CE2 3.68Å; R207-F260 HydrophobicContact CB-CZ 3.67Å; R207-F260 HydrophobicContact CG-CD2 4.11Å; R207-F260 HydrophobicContact CG-CE1 4.34Å; R207-F260 HydrophobicContact CG-CE2 3.81Å; R207-F260 HydrophobicContact CG-CZ 3.94Å; R207-F260 VanDerWaalsContact NH1-CB 3.31Å; R207-F260 VanDerWaalsContact NH1-CD1 3.26Å; L210-F260 HydrophobicContact CD1-CD2 4.21Å; L210-F260 HydrophobicContact CD1-CE2 3.81Å; F256-F260 HydrophobicContact CE1-CD2 4.49Å; F256-F260 HydrophobicContact CZ-CD2 4.06Å; F256-F260 VanDerWaalsContact O-CB 3.25Å; F256-F260 WeakPolarHBondContact O-CB 3.27Å; F256-F260 PolarHBondContact O-N 3.3Å; D257-F260 PolarHBondContact O-N 3.26Å; E258-F260 VanDerWaalsContact C-N 3.33Å; E258-F260 PolarHBondContact O-N 3.4Å; F260-L262 VanDerWaalsContact C-N 3.33Å; F260-L262 PolarHBondContact O-N 3.11Å; F260-L263 PolarHBondContact O-N 3.34Å; F260-A264 PolarHBondContact O-N 2.58Å
261	K	97.7	Very high	96	Very high	132 Å²	132	47.1 Å²	47.1	57%	0.574	25%	0.245	S	C	*	.	H	α-helix	trans	-61.2	-41.9	172.4	-67.5	167.5	-171.2	167.8	0	111.2	D257 E258 L259 K265	D257-K261 WeakPolarHBondContact O-CG 3.42Å; D257-K261 PolarHBondContact O-N 2.88Å; E258-K261 WeakPolarHBondContact O-CB 3.42Å; E258-K261 PolarHBondContact O-N 3.34Å; L259-K261 VanDerWaalsContact C-N 3.29Å; L259-K261 PolarHBondContact O-N 2.78Å; K261-K265 WeakPolarHBondContact O-CG 3.33Å; K261-K265 PolarHBondContact O-N 3.25Å
262	L	96.8	Very high	95.5	Very high	14 Å²	14	50.8 Å²	50.8	7%	0.073	27%	0.272	C	S	.	.	H	α-helix	trans	-64.1	-47.5	174	178.2	67.6	0	0	0	111.1	E258 L259 F260 A264 K265 I266 L391 F476	E258-L262 PolarHBondContact O-N 2.93Å; L259-L262 WeakPolarHBondContact O-CA 3.49Å; L259-L262 WeakPolarHBondContact O-CB 3.43Å; L259-L262 PolarHBondContact O-N 3.21Å; F260-L262 VanDerWaalsContact C-N 3.33Å; F260-L262 PolarHBondContact O-N 3.11Å; L262-A264 PolarHBondContact O-N 3.03Å; L262-K265 WeakPolarHBondContact O-CA 3.43Å; L262-K265 WeakPolarHBondContact O-CB 3.35Å; L262-K265 PolarHBondContact O-N 2.92Å; L262-I266 HydrophobicContact CD1-CD1 4.24Å; L262-I266 HydrophobicContact CD1-CG1 4.15Å; L262-I266 HydrophobicContact CD2-CD1 4.1Å; L262-I266 HydrophobicContact CG-CD1 3.77Å; L262-I266 HydrophobicContact CG-CG1 4.11Å; L262-I266 WeakPolarHBondContact O-CG1 3.47Å; L262-I266 PolarHBondContact O-N 3.29Å; L262-L391 HydrophobicContact CD2-CB 4.49Å; L262-L391 HydrophobicContact CD2-CD1 4.13Å; L262-F476 HydrophobicContact CB-CZ 3.91Å; L262-F476 HydrophobicContact CD2-CE2 3.53Å; L262-F476 HydrophobicContact CD2-CZ 3.53Å; L262-F476 HydrophobicContact CG-CZ 4.28Å
263	L	97	Very high	94.6	Very high	3 Å²	3	52.7 Å²	52.7	2%	0.016	29%	0.285	C	S	.	.	H	α-helix	trans	-57.3	-36.9	179.8	-67.3	177	0	0	0	112.3	I203 F214 L259 F260 I266 R267 F299 L304 L391	I203-L263 HydrophobicContact CD1-CB 4.12Å; F214-L263 HydrophobicContact CE2-CD1 4.1Å; F214-L263 HydrophobicContact CZ-CD1 4.34Å; L259-L263 HydrophobicContact CD1-CG 4.32Å; L259-L263 HydrophobicContact CG-CD1 4.18Å; L259-L263 HydrophobicContact CG-CG 4.31Å; L259-L263 WeakPolarHBondContact O-CG 3.31Å; L259-L263 PolarHBondContact O-N 2.95Å; F260-L263 PolarHBondContact O-N 3.34Å; L263-I266 PolarHBondContact O-N 2.76Å; L263-R267 PolarHBondContact O-N 3.04Å; L263-F299 HydrophobicContact CD1-CE1 4.49Å; L263-F299 HydrophobicContact CD2-CZ 4.43Å; L263-L304 HydrophobicContact CD2-CD1 4.34Å; L263-L391 HydrophobicContact CD2-CD2 4.04Å
264	A	95.6	Very high	93.6	Very high	22 Å²	22	56.2 Å²	56.2	18%	0.182	31%	0.314	C	S	.	.	H	α-helix	trans	-62.2	-48.3	172.6	0	0	0	0	0	112	I203 F260 L262 I266 R267 D268	I203-A264 HydrophobicContact CD1-CB 4.35Å; I203-A264 HydrophobicContact CG2-CB 3.91Å; F260-A264 PolarHBondContact O-N 2.58Å; L262-A264 PolarHBondContact O-N 3.03Å; A264-I266 VanDerWaalsContact C-N 3.32Å; A264-I266 PolarHBondContact O-N 2.82Å; A264-R267 WeakPolarHBondContact O-CB 3.49Å; A264-R267 PolarHBondContact O-N 3.22Å; A264-D268 PolarHBondContact O-N 3.01Å
265	K	94.4	Very high	93.1	Very high	113 Å²	113	57.5 Å²	57.5	49%	0.491	33%	0.325	S	S	.	.	H	α-helix	trans	-59.1	-41.5	175.5	-63.3	173.1	-169.8	174.3	0	112.1	K261 L262 D268 K269 E478	K261-K265 WeakPolarHBondContact O-CG 3.33Å; K261-K265 PolarHBondContact O-N 3.25Å; L262-K265 WeakPolarHBondContact O-CA 3.43Å; L262-K265 WeakPolarHBondContact O-CB 3.35Å; L262-K265 PolarHBondContact O-N 2.92Å; K265-D268 PolarHBondContact O-N 3.27Å; K265-K269 PolarHBondContact O-N 2.46Å; K265-E478 IonicContact NZ-OE1 3.27Å; K265-E478 PolarHBondContact NZ-OE1 3.02Å
266	I	95.2	Very high	92.9	Very high	5 Å²	5	54.9 Å²	54.9	3%	0.026	31%	0.313	C	S	.	.	H	α-helix	trans	-64.9	-43.9	178.9	-60.5	173.5	0	0	0	109.8	L262 L263 A264 D268 K269 T270 T276 L304 V305 D390 L391	L262-I266 HydrophobicContact CD1-CD1 4.24Å; L262-I266 HydrophobicContact CD1-CG1 4.15Å; L262-I266 HydrophobicContact CD2-CD1 4.1Å; L262-I266 HydrophobicContact CG-CD1 3.77Å; L262-I266 HydrophobicContact CG-CG1 4.11Å; L262-I266 WeakPolarHBondContact O-CG1 3.47Å; L262-I266 PolarHBondContact O-N 3.29Å; L263-I266 PolarHBondContact O-N 2.76Å; A264-I266 VanDerWaalsContact C-N 3.32Å; A264-I266 PolarHBondContact O-N 2.82Å; I266-D268 VanDerWaalsContact C-N 3.34Å; I266-D268 PolarHBondContact O-N 2.9Å; I266-K269 WeakPolarHBondContact O-CB 3.42Å; I266-K269 PolarHBondContact O-N 2.67Å; I266-T270 PolarHBondContact O-N 3.47Å; I266-T270 PolarHBondContact O-OG1 3.07Å; I266-T276 HydrophobicContact CG2-CG2 4.4Å; I266-L304 VanDerWaalsContact CG2-O 3.31Å; I266-L304 WeakPolarHBondContact CG2-O 3.29Å; I266-V305 HydrophobicContact CG2-CG1 3.69Å; I266-D390 HydrophobicContact CD1-CB 3.72Å; I266-D390 HydrophobicContact CG1-CB 3.91Å; I266-D390 HydrophobicContact CG2-CB 3.98Å; I266-L391 HydrophobicContact CD1-CB 4.11Å
267	R	94.1	Very high	92.9	Very high	33 Å²	33	54.6 Å²	54.6	13%	0.125	31%	0.312	C	S	.	.	H	α-helix	trans	-58.5	-45.1	176.3	-172.5	-176.5	173.5	149.1	0.3	112	I200 S201 I203 L263 A264 K269 T270 A271 L304	I200-R267 PolarHBondContact O-NH2 2.86Å; S201-R267 VanDerWaalsContact C-NH2 3.3Å; S201-R267 PolarHBondContact O-NH2 3.31Å; I203-R267 VanDerWaalsContact CA-NH1 3.32Å; I203-R267 HydrophobicContact CD1-CB 4.49Å; L263-R267 PolarHBondContact O-N 3.04Å; A264-R267 WeakPolarHBondContact O-CB 3.49Å; A264-R267 PolarHBondContact O-N 3.22Å; R267-K269 VanDerWaalsContact C-N 3.3Å; R267-K269 PolarHBondContact O-N 3.47Å; R267-T270 WeakPolarHBondContact O-CB 3.32Å; R267-T270 PolarHBondContact O-N 2.96Å; R267-A271 PolarHBondContact O-N 2.82Å; R267-L304 HydrophobicContact CB-CD2 3.77Å; R267-L304 HydrophobicContact CG-CD2 3.99Å
268	D	93	Very high	92.9	Very high	117 Å²	117	50.9 Å²	50.9	63%	0.626	29%	0.292	S	S	*	.	H	α-helix	trans	-60.3	-42.6	177.6	-66.6	-18.8	0	0	0	111	A264 K265 I266 A271	A264-D268 PolarHBondContact O-N 3.01Å; K265-D268 PolarHBondContact O-N 3.27Å; I266-D268 VanDerWaalsContact C-N 3.34Å; I266-D268 PolarHBondContact O-N 2.9Å; D268-A271 PolarHBondContact O-N 3.32Å
269	K	92.4	Very high	92.9	Very high	90 Å²	90	46.9 Å²	46.9	39%	0.391	27%	0.273	S	S	.	.	H	α-helix	trans	-61.8	-46.7	173.4	-177.6	-177.9	171.5	-171	0	111.6	K265 I266 R267 A271 S272 T273 T276 D390	K265-K269 PolarHBondContact O-N 2.46Å; I266-K269 WeakPolarHBondContact O-CB 3.42Å; I266-K269 PolarHBondContact O-N 2.67Å; R267-K269 VanDerWaalsContact C-N 3.3Å; R267-K269 PolarHBondContact O-N 3.47Å; K269-A271 VanDerWaalsContact C-N 3.28Å; K269-A271 PolarHBondContact O-N 3.15Å; K269-S272 PolarHBondContact O-N 3.4Å; K269-S272 PolarHBondContact O-OG 3.17Å; K269-T273 PolarHBondContact O-N 2.98Å; K269-T273 PolarHBondContact O-OG1 3.01Å; K269-T276 HydrophobicContact CB-CG2 4.17Å; K269-T276 HydrophobicContact CD-CG2 3.75Å; K269-T276 HydrophobicContact CG-CG2 3.73Å; K269-D390 IonicContact NZ-OD1 3.87Å; K269-D390 PolarHBondContact NZ-OD1 2.78Å; K269-D390 IonicContact NZ-OD2 2.84Å
270	T	93.2	Very high	92.9	Very high	18 Å²	18	46.9 Å²	46.9	11%	0.11	27%	0.273	C	S	.	.	H	α-helix	trans	-58.8	-38	179.5	-58.7	0	0	0	0	112.6	I266 R267 S272 T273 T276 K303 L304	I266-T270 PolarHBondContact O-N 3.47Å; I266-T270 PolarHBondContact O-OG1 3.07Å; R267-T270 WeakPolarHBondContact O-CB 3.32Å; R267-T270 PolarHBondContact O-N 2.96Å; T270-S272 PolarHBondContact O-N 3.01Å; T270-T273 WeakPolarHBondContact CA-O 3.43Å; T270-T273 CarbonylContact O-C 3.42Å; T270-T273 PolarHBondContact O-N 3.35Å; T270-T276 WeakPolarHBondContact CB-OG1 3.39Å; T270-T276 WeakPolarHBondContact CG2-OG1 3.48Å; T270-T276 VanDerWaalsContact OG1-CB 3.32Å; T270-T276 WeakPolarHBondContact OG1-CB 3.26Å; T270-T276 VanDerWaalsContact OG1-CG2 3.27Å; T270-T276 WeakPolarHBondContact OG1-CG2 3.2Å; T270-T276 PolarHBondContact OG1-OG1 2.77Å; T270-K303 WeakPolarHBondContact CG2-O 3.47Å; T270-L304 WeakPolarHBondContact CB-O 3.14Å; T270-L304 PolarHBondContact OG1-O 3.26Å
271	A	88.6	Confident	93	Very high	94 Å²	94	46.5 Å²	46.5	78%	0.777	27%	0.271	S	S	*	.	H	α-helix	trans	-62.3	-27.9	176.3	0	0	0	0	0	112.9	R267 D268 K269	R267-A271 PolarHBondContact O-N 2.82Å; D268-A271 PolarHBondContact O-N 3.32Å; K269-A271 VanDerWaalsContact C-N 3.28Å; K269-A271 PolarHBondContact O-N 3.15Å
272	S	86.2	Confident	93	Very high	93 Å²	93	40.2 Å²	40.2	65%	0.65	24%	0.244	S	C	*	.	H	α-helix	trans	-92.5	-35.1	176.4	70.7	0	0	0	0	113.6	K269 T270	K269-S272 PolarHBondContact O-N 3.4Å; K269-S272 PolarHBondContact O-OG 3.17Å; T270-S272 PolarHBondContact O-N 3.01Å
273	T	77.6	Confident	93	Very high	60 Å²	60	39.9 Å²	39.9	37%	0.368	24%	0.242	S	C	.	.			trans	-141.8	114.8	-176.8	58.9	0	0	0	0	110.6	K269 T270 T275	K269-T273 PolarHBondContact O-N 2.98Å; K269-T273 PolarHBondContact O-OG1 3.01Å; T270-T273 WeakPolarHBondContact CA-O 3.43Å; T270-T273 CarbonylContact O-C 3.42Å; T270-T273 PolarHBondContact O-N 3.35Å; T273-T275 PolarHBondContact O-N 3.25Å
274	A	75.8	Confident	92.9	Very high	82 Å²	82	40.1 Å²	40.1	68%	0.678	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.9	15.7	179.7	0	0	0	0	0	114.4
275	T	87.9	Confident	92.8	Very high	99 Å²	99	39.3 Å²	39.3	61%	0.607	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-1.1	-178.3	54.3	0	0	0	0	113.5	T273	T273-T275 PolarHBondContact O-N 3.25Å
276	T	95.3	Very high	92.6	Very high	1 Å²	1	34 Å²	34	1%	0.006	22%	0.215	C	C	.	.			trans	-62.6	141.1	177.7	51	0	0	0	0	111.6	I266 K269 T270 V305 G306 R307 D390	I266-T276 HydrophobicContact CG2-CG2 4.4Å; K269-T276 HydrophobicContact CB-CG2 4.17Å; K269-T276 HydrophobicContact CD-CG2 3.75Å; K269-T276 HydrophobicContact CG-CG2 3.73Å; T270-T276 WeakPolarHBondContact CB-OG1 3.39Å; T270-T276 WeakPolarHBondContact CG2-OG1 3.48Å; T270-T276 VanDerWaalsContact OG1-CB 3.32Å; T270-T276 WeakPolarHBondContact OG1-CB 3.26Å; T270-T276 VanDerWaalsContact OG1-CG2 3.27Å; T270-T276 WeakPolarHBondContact OG1-CG2 3.2Å; T270-T276 PolarHBondContact OG1-OG1 2.77Å; T276-V305 WeakPolarHBondContact OG1-CA 3.42Å; T276-G306 PolarHBondContact O-N 3.23Å; T276-G306 VanDerWaalsContact O-N 3.1Å; T276-G306 PolarHBondContact OG1-N 3.4Å; T276-R307 PolarHBondContact O-N 3.02Å; T276-D390 WeakPolarHBondContact CA-OD2 3.09Å; T276-D390 WeakPolarHBondContact CB-OD2 3.48Å; T276-D390 WeakPolarHBondContact CG2-OD2 3.26Å
277	C	96.8	Very high	92.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	137.1	-171.1	-172.9	0	0	0	0	110.4	R307 R309 S389 D390	C277-R307 WeakPolarHBondContact CA-O 3.31Å; C277-R307 HydrophobicContact CB-CG 4.11Å; C277-R309 PolarHBondContact SG-NE 3.44Å; C277-S389 CarbonylContact O-C 3.5Å; C277-S389 WeakPolarHBondContact O-CA 3.5Å; C277-D390 PolarHBondContact N-OD2 2.8Å; C277-D390 PolarHBondContact O-N 3.31Å
278	L	98	Very high	92.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	142.6	170.5	-178.2	149.3	0	0	0	110	I280 F299 V305 R307 I308 R309 L391 I393	L278-I280 HydrophobicContact CD2-CD1 4.09Å; L278-I280 HydrophobicContact CD2-CG1 3.48Å; L278-I280 VanDerWaalsContact CD2-CG1 3.48Å; L278-F299 HydrophobicContact CD1-CD2 3.59Å; L278-F299 HydrophobicContact CD1-CE2 3.29Å; L278-F299 HydrophobicContact CD1-CZ 4.31Å; L278-F299 HydrophobicContact CD2-CD2 4.25Å; L278-F299 HydrophobicContact CD2-CE2 4.12Å; L278-F299 HydrophobicContact CG-CD2 4.49Å; L278-F299 HydrophobicContact CG-CE2 4.36Å; L278-V305 HydrophobicContact CB-CG1 4.09Å; L278-V305 HydrophobicContact CB-CG2 4.35Å; L278-R307 PolarHBondContact N-O 2.98Å; L278-I308 HydrophobicContact CD2-CG2 4.22Å; L278-I308 CarbonylContact O-C 3.25Å; L278-I308 VanDerWaalsContact O-CA 3.28Å; L278-I308 WeakPolarHBondContact O-CA 3.3Å; L278-R309 PolarHBondContact O-N 2.95Å; L278-L391 WeakPolarHBondContact CA-O 3.1Å; L278-L391 HydrophobicContact CD1-CB 3.93Å; L278-L391 HydrophobicContact CD1-CD2 3.72Å; L278-L391 HydrophobicContact CD1-CG 4.03Å; L278-L391 HydrophobicContact CG-CB 4.23Å; L278-L391 HydrophobicContact CG-CG 4.49Å; L278-I393 HydrophobicContact CD1-CD1 4.23Å; L278-I393 HydrophobicContact CD2-CD1 4.06Å; L278-I393 HydrophobicContact CD2-CG1 4.26Å
279	D	98.8	Very high	92.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	137.9	176.8	-72.6	-108.2	0	0	0	110.6	R309 H311 L386 S389 L391 I392 I393	D279-R309 CarbonylContact C-O 3.55Å; D279-R309 VanDerWaalsContact CA-O 3.26Å; D279-R309 WeakPolarHBondContact CA-O 3.39Å; D279-R309 WeakPolarHBondContact OD1-CB 3.34Å; D279-R309 IonicContact OD1-CZ 3.7Å; D279-R309 IonicContact OD1-NE 3.26Å; D279-R309 PolarHBondContact OD1-NE 3.03Å; D279-R309 IonicContact OD1-NH2 2.78Å; D279-R309 PolarHBondContact OD1-NH2 2.87Å; D279-R309 IonicContact OD2-CZ 3.64Å; D279-R309 IonicContact OD2-NE 3.46Å; D279-R309 PolarHBondContact OD2-NE 2.95Å; D279-R309 IonicContact OD2-NH2 2.91Å; D279-R309 PolarHBondContact OD2-NH2 3.16Å; D279-H311 IonicContact OD1-CD2 3.73Å; D279-H311 PolarHBondContact OD1-CD2 2.63Å; D279-H311 IonicContact OD1-CE1 3.15Å; D279-H311 IonicContact OD1-NE2 3.15Å; D279-H311 PolarHBondContact OD1-NE2 3.42Å; D279-L386 HydrophobicContact CB-CD2 4.08Å; D279-S389 VanDerWaalsContact CG-OG 3.32Å; D279-S389 VanDerWaalsContact OD2-CB 3.26Å; D279-S389 WeakPolarHBondContact OD2-CB 3.5Å; D279-S389 PolarHBondContact OD2-OG 2.98Å; D279-L391 PolarHBondContact N-O 3.49Å; D279-I392 HydrophobicContact CB-CG1 4.32Å; D279-I392 HydrophobicContact CB-CG2 4.15Å; D279-I392 CarbonylContact O-C 3.57Å; D279-I392 WeakPolarHBondContact O-CA 3.04Å; D279-I393 PolarHBondContact O-N 3.35Å
280	I	98.9	Very high	92.6	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	111.9	173.3	-55	-178	0	0	0	107.9	L278 L282 A296 I308 R309 F310 H311 I393 K395	L278-I280 HydrophobicContact CD2-CD1 4.09Å; L278-I280 HydrophobicContact CD2-CG1 3.48Å; L278-I280 VanDerWaalsContact CD2-CG1 3.48Å; I280-L282 HydrophobicContact CG2-CD2 4Å; I280-L282 PolarHBondContact O-N 3.3Å; I280-A296 HydrophobicContact CD1-CB 4.03Å; I280-I308 HydrophobicContact CD1-CG2 4.05Å; I280-I308 HydrophobicContact CG1-CG2 4.16Å; I280-R309 PolarHBondContact N-O 3.14Å; I280-F310 HydrophobicContact CB-CD1 4.11Å; I280-F310 HydrophobicContact CD1-CD1 4.35Å; I280-F310 HydrophobicContact CD1-CE1 3.89Å; I280-F310 CarbonylContact O-C 3.58Å; I280-F310 WeakPolarHBondContact O-CA 2.92Å; I280-H311 PolarHBondContact O-N 2.89Å; I280-I393 WeakPolarHBondContact CA-O 3.32Å; I280-I393 HydrophobicContact CG1-CB 4.44Å; I280-K395 HydrophobicContact CG2-CG 4.03Å
281	V	98.8	Very high	92.7	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	107.6	173.6	-173.4	0	0	0	0	108.4	H311 W366 I392 I393 F394 K395 N399	V281-H311 HydrophobicContact CG1-CB 4.46Å; V281-H311 HydrophobicContact CG2-CB 4.29Å; V281-W366 HydrophobicContact CG1-CD2 4.32Å; V281-W366 HydrophobicContact CG1-CE3 3.9Å; V281-W366 HydrophobicContact CG1-CH2 4.04Å; V281-W366 HydrophobicContact CG1-CZ2 4.43Å; V281-W366 HydrophobicContact CG1-CZ3 3.77Å; V281-W366 HydrophobicContact CG2-CH2 3.61Å; V281-W366 HydrophobicContact CG2-CZ2 3.98Å; V281-W366 HydrophobicContact CG2-CZ3 4.13Å; V281-I392 HydrophobicContact CG2-CG2 4.06Å; V281-I393 PolarHBondContact N-O 2.96Å; V281-F394 HydrophobicContact CB-CD1 3.74Å; V281-F394 HydrophobicContact CB-CE1 4.04Å; V281-F394 HydrophobicContact CG1-CD1 4.07Å; V281-F394 HydrophobicContact CG1-CE1 4.27Å; V281-F394 HydrophobicContact CG2-CD1 3.79Å; V281-F394 HydrophobicContact CG2-CE1 3.6Å; V281-F394 HydrophobicContact CG2-CZ 4.24Å; V281-K395 WeakPolarHBondContact O-CB 3.32Å; V281-K395 PolarHBondContact O-N 2.75Å; V281-K395 VanDerWaalsContact O-N 3.11Å; V281-N399 PolarHBondContact O-ND2 3.33Å
282	L	98.4	Very high	93.1	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.005	12%	0.121	C	C	.	.			trans	-72.7	151	-171.2	-62.8	171.6	0	0	0	111.7	I280 L289 D292 F310 H311 A312 K313 T322 F327 N399	I280-L282 HydrophobicContact CG2-CD2 4Å; I280-L282 PolarHBondContact O-N 3.3Å; L282-L289 HydrophobicContact CD1-CD1 3.99Å; L282-L289 HydrophobicContact CD2-CD1 3.78Å; L282-D292 HydrophobicContact CD2-CB 4Å; L282-F310 HydrophobicContact CD1-CB 4.16Å; L282-F310 HydrophobicContact CD2-CD1 4.17Å; L282-H311 PolarHBondContact N-O 2.99Å; L282-H311 VanDerWaalsContact N-O 3.08Å; L282-A312 HydrophobicContact CD1-CB 4.25Å; L282-K313 PolarHBondContact O-NZ 3.42Å; L282-T322 HydrophobicContact CD1-CG2 3.83Å; L282-F327 HydrophobicContact CD1-CD2 4.03Å; L282-F327 HydrophobicContact CD1-CE2 4.5Å; L282-N399 PolarHBondContact O-ND2 3.47Å
283	D	96.2	Very high	93.7	Very high	6 Å²	6	13.2 Å²	13.2	3%	0.032	9%	0.09	C	C	.	.			trans	-112.3	-101.2	170	-157.7	46.6	0	0	0	108.1	D321 T322 K395 G396	D283-D321 CarbonylContact O-C 3.17Å; D283-D321 WeakPolarHBondContact O-CA 3.27Å; D283-T322 PolarHBondContact O-N 2.78Å; D283-K395 HydrophobicContact CB-CB 4.02Å; D283-K395 WeakPolarHBondContact CB-O 3.08Å; D283-G396 WeakPolarHBondContact OD2-CA 3.45Å
284	N	95.1	Very high	94.7	Very high	8 Å²	8	10.4 Å²	10.4	4%	0.043	7%	0.073	C	C	.	.	B	Isolated β-bridge	trans	-89.8	155.9	-171.9	-51.7	-64.2	0	0	0	114.2	N221 E288 L289 S320 T322	N221-N284 PolarHBondContact ND2-ND2 2.67Å; N221-N284 PolarHBondContact OD1-ND2 3.13Å; N284-E288 HydrophobicContact CB-CB 4.37Å; N284-E288 WeakPolarHBondContact CB-OE2 3.47Å; N284-E288 PolarHBondContact ND2-OE2 3.28Å; N284-L289 PolarHBondContact O-N 3.16Å; N284-S320 CarbonylContact C-O 3.51Å; N284-S320 VanDerWaalsContact CA-O 3.29Å; N284-S320 WeakPolarHBondContact CA-O 3.25Å; N284-S320 VanDerWaalsContact OD1-CB 3.31Å; N284-S320 WeakPolarHBondContact OD1-CB 3.42Å; N284-S320 PolarHBondContact OD1-OG 2.73Å; N284-T322 PolarHBondContact O-OG1 3.49Å
285	G	93.7	Very high	95.7	Very high	5 Å²	5	6.5 Å²	6.5	5%	0.052	4%	0.04	C	C	.	.	S	Bend	trans	-74	-158	170.7	0	0	0	0	0	113.3	I287 E288 S320 T322	G285-I287 PolarHBondContact O-N 3.37Å; G285-E288 PolarHBondContact O-N 2.99Å; G285-S320 PolarHBondContact N-O 2.9Å; G285-T322 VanDerWaalsContact CA-OG1 3.27Å; G285-T322 WeakPolarHBondContact CA-OG1 3.27Å; G285-T322 PolarHBondContact N-OG1 3.44Å; G285-T322 VanDerWaalsContact N-OG1 3.13Å
286	G	91.6	Very high	96.2	Very high	2 Å²	2	1.8 Å²	1.8	2%	0.021	1%	0.011	C	C	.	.	H	α-helix	trans	65	-134.3	173.5	0	0	0	0	0	113.5	E288 L289 F290	G286-E288 VanDerWaalsContact C-N 3.32Å; G286-E288 PolarHBondContact O-N 3.34Å; G286-L289 PolarHBondContact O-N 3.41Å; G286-F290 PolarHBondContact O-N 3.25Å
287	I	89.8	Confident	96.4	Very high	9 Å²	9	1.7 Å²	1.7	5%	0.046	1%	0.011	C	C	.	.	H	α-helix	trans	-68.7	-28.7	-178.6	-168.3	170.1	0	0	0	113	A179 T182 I183 L186 G220 C223 G285 F290 G291	A179-I287 HydrophobicContact CB-CB 4.24Å; T182-I287 HydrophobicContact CG2-CD1 3.62Å; I183-I287 HydrophobicContact CG1-CG1 4.41Å; L186-I287 HydrophobicContact CD1-CD1 4.02Å; L186-I287 HydrophobicContact CD1-CG1 4.18Å; G220-I287 WeakPolarHBondContact O-CG2 3.43Å; C223-I287 HydrophobicContact CB-CD1 4.12Å; C223-I287 HydrophobicContact CB-CG2 3.77Å; G285-I287 PolarHBondContact O-N 3.37Å; I287-F290 PolarHBondContact O-N 3.26Å; I287-G291 PolarHBondContact O-N 2.94Å
288	E	92.9	Very high	96.4	Very high	3 Å²	3	1.7 Å²	1.7	1%	0.014	1%	0.011	C	C	.	.	H	α-helix	trans	-64.9	-47.9	175.4	-176.5	167.2	-176.3	0	0	110.2	N221 N284 G285 G286 F290 G291 D292	N221-E288 VanDerWaalsContact CB-OE2 3.32Å; N221-E288 WeakPolarHBondContact CB-OE2 3.46Å; N221-E288 PolarHBondContact ND2-OE2 3.36Å; N221-E288 VanDerWaalsContact ND2-OE2 3.16Å; N284-E288 HydrophobicContact CB-CB 4.37Å; N284-E288 WeakPolarHBondContact CB-OE2 3.47Å; N284-E288 PolarHBondContact ND2-OE2 3.28Å; G285-E288 PolarHBondContact O-N 2.99Å; G286-E288 VanDerWaalsContact C-N 3.32Å; G286-E288 PolarHBondContact O-N 3.34Å; E288-F290 VanDerWaalsContact C-N 3.33Å; E288-F290 PolarHBondContact O-N 3.03Å; E288-G291 WeakPolarHBondContact O-CA 3.45Å; E288-G291 PolarHBondContact O-N 3.27Å; E288-D292 PolarHBondContact O-N 2.94Å
289	L	96.3	Very high	96.4	Very high	0 Å²	0	1.7 Å²	1.7	0%	0	1%	0.011	C	C	.	.	H	α-helix	trans	-61.9	-39.5	176.2	-177.9	56.3	0	0	0	112.6	L282 N284 G286 G291 D292 I293 T322 F327 I330	L282-L289 HydrophobicContact CD1-CD1 3.99Å; L282-L289 HydrophobicContact CD2-CD1 3.78Å; N284-L289 PolarHBondContact O-N 3.16Å; G286-L289 PolarHBondContact O-N 3.41Å; L289-G291 VanDerWaalsContact C-N 3.31Å; L289-G291 PolarHBondContact O-N 3.45Å; L289-D292 PolarHBondContact O-N 3.23Å; L289-I293 HydrophobicContact CD1-CD1 4.09Å; L289-I293 HydrophobicContact CD1-CG1 4.11Å; L289-I293 HydrophobicContact CG-CD1 3.99Å; L289-I293 HydrophobicContact CG-CG1 4.45Å; L289-I293 VanDerWaalsContact O-CG1 3.3Å; L289-I293 WeakPolarHBondContact O-CG1 3.41Å; L289-I293 PolarHBondContact O-N 3.46Å; L289-T322 HydrophobicContact CD1-CG2 4.18Å; L289-T322 HydrophobicContact CD2-CG2 3.56Å; L289-T322 HydrophobicContact CG-CG2 4.45Å; L289-F327 HydrophobicContact CD1-CD2 3.75Å; L289-F327 HydrophobicContact CD1-CE2 4.11Å; L289-F327 HydrophobicContact CD2-CB 4.24Å; L289-F327 HydrophobicContact CD2-CD2 4.27Å; L289-F327 HydrophobicContact CG-CD2 4.5Å; L289-I330 HydrophobicContact CB-CD1 4.13Å; L289-I330 HydrophobicContact CD2-CD1 3.84Å; L289-I330 HydrophobicContact CD2-CG1 4.5Å; L289-I330 HydrophobicContact CG-CD1 4.24Å
290	F	95.7	Very high	96.3	Very high	0 Å²	0	2.6 Å²	2.6	0%	0	2%	0.016	C	C	.	.	H	α-helix	trans	-57.4	-45.9	172.5	178	-83.7	0	0	0	111.4	I183 L186 A187 G286 I287 E288 D292 I293 F294 L334 L345 W349	I183-F290 HydrophobicContact CG2-CD2 3.71Å; I183-F290 HydrophobicContact CG2-CE2 3.75Å; I183-F290 HydrophobicContact CG2-CG 4.27Å; I183-F290 HydrophobicContact CG2-CZ 4.36Å; L186-F290 HydrophobicContact CB-CD1 4.35Å; L186-F290 HydrophobicContact CB-CE1 3.64Å; L186-F290 HydrophobicContact CB-CZ 4.29Å; L186-F290 HydrophobicContact CD1-CD1 4.37Å; L186-F290 HydrophobicContact CD1-CE1 4.44Å; A187-F290 HydrophobicContact CB-CZ 4.17Å; G286-F290 PolarHBondContact O-N 3.25Å; I287-F290 PolarHBondContact O-N 3.26Å; E288-F290 VanDerWaalsContact C-N 3.33Å; E288-F290 PolarHBondContact O-N 3.03Å; F290-D292 PolarHBondContact O-N 3.08Å; F290-I293 PolarHBondContact O-N 3.22Å; F290-F294 HydrophobicContact CE1-CB 4.43Å; F290-F294 WeakPolarHBondContact O-CB 3.37Å; F290-F294 PolarHBondContact O-N 3.47Å; F290-L334 HydrophobicContact CD2-CD1 4.04Å; F290-L334 HydrophobicContact CD2-CD2 4.42Å; F290-L334 HydrophobicContact CE2-CD1 4.09Å; F290-L334 HydrophobicContact CE2-CD2 4.28Å; F290-L345 HydrophobicContact CE2-CD1 4.36Å; F290-L345 HydrophobicContact CZ-CD1 4.06Å; F290-W349 AromaticContact CD2-CH2 3.79Å; F290-W349 HydrophobicContact CD2-CH2 3.79Å; F290-W349 AromaticContact CD2-CZ3 3.97Å; F290-W349 HydrophobicContact CD2-CZ3 3.97Å; F290-W349 AromaticContact CE2-CH2 3.51Å; F290-W349 HydrophobicContact CE2-CH2 3.51Å; F290-W349 AromaticContact CE2-CZ3 3.98Å; F290-W349 HydrophobicContact CE2-CZ3 3.98Å; F290-W349 HydrophobicContact CG-CH2 4.44Å; F290-W349 AromaticContact CZ-CH2 3.92Å; F290-W349 HydrophobicContact CZ-CH2 3.92Å
291	G	95	Very high	96.1	Very high	2 Å²	2	4.6 Å²	4.6	2%	0.021	3%	0.025	C	C	.	.	H	α-helix	trans	-59.9	-44.1	176.8	0	0	0	0	0	112.3	C217 I287 E288 L289 I293 F294 L295	C217-G291 VanDerWaalsContact SG-C 3.59Å; C217-G291 PolarHBondContact SG-O 3Å; I287-G291 PolarHBondContact O-N 2.94Å; E288-G291 WeakPolarHBondContact O-CA 3.45Å; E288-G291 PolarHBondContact O-N 3.27Å; L289-G291 VanDerWaalsContact C-N 3.31Å; L289-G291 PolarHBondContact O-N 3.45Å; G291-I293 PolarHBondContact O-N 2.84Å; G291-F294 WeakPolarHBondContact O-CB 3.39Å; G291-F294 PolarHBondContact O-N 3.17Å; G291-L295 PolarHBondContact O-N 3.15Å
292	D	97.4	Very high	95.9	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-64.3	-40.8	179.9	-67.4	-18.8	0	0	0	112.6	L282 E288 L289 F290 L295 A296 K395	L282-D292 HydrophobicContact CD2-CB 4Å; E288-D292 PolarHBondContact O-N 2.94Å; L289-D292 PolarHBondContact O-N 3.23Å; F290-D292 PolarHBondContact O-N 3.08Å; D292-L295 PolarHBondContact O-N 2.86Å; D292-A296 PolarHBondContact O-N 2.69Å; D292-A296 VanDerWaalsContact O-N 3.13Å; D292-K395 VanDerWaalsContact OD1-CD 3.25Å; D292-K395 WeakPolarHBondContact OD1-CD 3.35Å; D292-K395 WeakPolarHBondContact OD1-CE 3.44Å; D292-K395 IonicContact OD1-NZ 3.17Å; D292-K395 PolarHBondContact OD1-NZ 2.9Å
293	I	98.4	Very high	95.8	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-69	-37.8	175	-58.7	166.9	0	0	0	110.5	L289 F290 G291 A296 D297 F310 F327 I331 W349 F358	L289-I293 HydrophobicContact CD1-CD1 4.09Å; L289-I293 HydrophobicContact CD1-CG1 4.11Å; L289-I293 HydrophobicContact CG-CD1 3.99Å; L289-I293 HydrophobicContact CG-CG1 4.45Å; L289-I293 VanDerWaalsContact O-CG1 3.3Å; L289-I293 WeakPolarHBondContact O-CG1 3.41Å; L289-I293 PolarHBondContact O-N 3.46Å; F290-I293 PolarHBondContact O-N 3.22Å; G291-I293 PolarHBondContact O-N 2.84Å; I293-A296 WeakPolarHBondContact O-CB 2.99Å; I293-A296 PolarHBondContact O-N 3.31Å; I293-D297 PolarHBondContact O-N 3.21Å; I293-F310 HydrophobicContact CG1-CE1 4.37Å; I293-F327 HydrophobicContact CD1-CD2 4.27Å; I293-F327 HydrophobicContact CD1-CE1 4.49Å; I293-F327 HydrophobicContact CD1-CE2 3.83Å; I293-F327 HydrophobicContact CD1-CZ 3.95Å; I293-F327 HydrophobicContact CG1-CE2 3.7Å; I293-F327 HydrophobicContact CG1-CZ 3.91Å; I293-I331 HydrophobicContact CD1-CG1 4.45Å; I293-W349 HydrophobicContact CB-CD2 4.46Å; I293-W349 HydrophobicContact CB-CE3 4.14Å; I293-W349 HydrophobicContact CB-CH2 4.19Å; I293-W349 HydrophobicContact CB-CZ3 3.96Å; I293-W349 HydrophobicContact CD1-CE3 4.47Å; I293-W349 HydrophobicContact CD1-CZ3 4.44Å; I293-W349 HydrophobicContact CG2-CB 4.34Å; I293-W349 HydrophobicContact CG2-CD2 3.35Å; I293-W349 HydrophobicContact CG2-CE3 3.36Å; I293-W349 HydrophobicContact CG2-CG 3.8Å; I293-W349 HydrophobicContact CG2-CH2 4.04Å; I293-W349 HydrophobicContact CG2-CZ2 4.07Å; I293-W349 HydrophobicContact CG2-CZ3 3.7Å; I293-F358 HydrophobicContact CG2-CE2 3.67Å; I293-F358 HydrophobicContact CG2-CZ 4.25Å
294	F	97.4	Very high	95.7	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-63.2	-41.4	174.9	173.8	-142.4	0	0	0	112.3	A190 M193 T194 V213 I216 F290 G291 A296 D297 V298 W349	A190-F294 VanDerWaalsContact CA-CE2 3.42Å; A190-F294 HydrophobicContact CB-CD1 4.25Å; A190-F294 HydrophobicContact CB-CD2 3.4Å; A190-F294 VanDerWaalsContact CB-CD2 3.4Å; A190-F294 HydrophobicContact CB-CE1 4.13Å; A190-F294 HydrophobicContact CB-CE2 3.28Å; A190-F294 HydrophobicContact CB-CG 3.92Å; A190-F294 HydrophobicContact CB-CZ 3.67Å; M193-F294 HydrophobicContact CB-CZ 4.48Å; M193-F294 HydrophobicContact SD-CZ 3.78Å; T194-F294 HydrophobicContact CG2-CE2 4.15Å; V213-F294 HydrophobicContact CG1-CD1 4.36Å; V213-F294 HydrophobicContact CG1-CE1 4.29Å; V213-F294 HydrophobicContact CG2-CE1 3.97Å; V213-F294 HydrophobicContact CG2-CZ 3.86Å; I216-F294 HydrophobicContact CD1-CD1 4.49Å; I216-F294 HydrophobicContact CD1-CE1 3.85Å; F290-F294 HydrophobicContact CE1-CB 4.43Å; F290-F294 WeakPolarHBondContact O-CB 3.37Å; F290-F294 PolarHBondContact O-N 3.47Å; G291-F294 WeakPolarHBondContact O-CB 3.39Å; G291-F294 PolarHBondContact O-N 3.17Å; F294-A296 VanDerWaalsContact C-N 3.3Å; F294-A296 PolarHBondContact O-N 2.99Å; F294-D297 WeakPolarHBondContact O-CB 3.48Å; F294-D297 PolarHBondContact O-N 2.87Å; F294-V298 HydrophobicContact CD2-CG2 3.91Å; F294-V298 HydrophobicContact CE2-CG2 3.43Å; F294-V298 VanDerWaalsContact CE2-CG2 3.43Å; F294-V298 HydrophobicContact CZ-CG2 4.03Å; F294-V298 WeakPolarHBondContact O-CG2 3.45Å; F294-V298 PolarHBondContact O-N 2.8Å; F294-W349 HydrophobicContact CB-CZ2 4.3Å
295	L	97.7	Very high	95.7	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-59.5	-43.1	172.9	177.7	66.5	0	0	0	112	V213 F214 C217 G291 D292 D297 V298 F299 I393	V213-L295 HydrophobicContact CB-CD1 4.49Å; V213-L295 HydrophobicContact CG1-CB 3.99Å; V213-L295 HydrophobicContact CG1-CD1 3.61Å; V213-L295 HydrophobicContact CG1-CG 4.43Å; F214-L295 HydrophobicContact CD1-CD1 4.42Å; F214-L295 HydrophobicContact CE1-CD1 4.19Å; F214-L295 HydrophobicContact CE1-CD2 4.17Å; F214-L295 HydrophobicContact CE2-CD1 4.32Å; F214-L295 HydrophobicContact CZ-CD1 4.15Å; C217-L295 VanDerWaalsContact SG-CB 3.54Å; G291-L295 PolarHBondContact O-N 3.15Å; D292-L295 PolarHBondContact O-N 2.86Å; L295-D297 VanDerWaalsContact C-N 3.34Å; L295-V298 PolarHBondContact O-N 3.39Å; L295-F299 HydrophobicContact CD1-CD1 4.3Å; L295-F299 HydrophobicContact CD1-CE1 3.61Å; L295-F299 HydrophobicContact CD1-CE2 4.29Å; L295-F299 HydrophobicContact CD1-CZ 3.61Å; L295-F299 HydrophobicContact CD2-CE2 4.49Å; L295-F299 HydrophobicContact CD2-CZ 4.36Å; L295-F299 HydrophobicContact CG-CE1 4.27Å; L295-F299 HydrophobicContact CG-CE2 4.09Å; L295-F299 HydrophobicContact CG-CZ 3.92Å; L295-F299 WeakPolarHBondContact O-CG 3.39Å; L295-F299 PolarHBondContact O-N 3.28Å; L295-F299 VanDerWaalsContact O-N 3.08Å; L295-I393 HydrophobicContact CD2-CD1 3.89Å
296	A	98.5	Very high	95.8	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-63.5	-41.2	177.3	0	0	0	0	0	112.2	I280 D292 I293 F294 F299 L300 I308 F310 F358	I280-A296 HydrophobicContact CD1-CB 4.03Å; D292-A296 PolarHBondContact O-N 2.69Å; D292-A296 VanDerWaalsContact O-N 3.13Å; I293-A296 WeakPolarHBondContact O-CB 2.99Å; I293-A296 PolarHBondContact O-N 3.31Å; F294-A296 VanDerWaalsContact C-N 3.3Å; F294-A296 PolarHBondContact O-N 2.99Å; A296-F299 PolarHBondContact O-N 3.01Å; A296-L300 PolarHBondContact O-N 3.24Å; A296-L300 VanDerWaalsContact O-N 3.14Å; A296-I308 VanDerWaalsContact CA-CD1 3.45Å; A296-I308 HydrophobicContact CB-CD1 3.59Å; A296-I308 HydrophobicContact CB-CG2 4.03Å; A296-I308 WeakPolarHBondContact O-CD1 3.38Å; A296-F310 HydrophobicContact CB-CE1 3.9Å; A296-F310 HydrophobicContact CB-CE2 4.37Å; A296-F310 HydrophobicContact CB-CZ 3.37Å; A296-F358 HydrophobicContact CB-CE1 3.57Å; A296-F358 HydrophobicContact CB-CZ 3.62Å
297	D	98.3	Very high	96	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-58.8	-48.5	174.4	-174.3	0.7	0	0	0	111.2	I293 F294 L295 F299 L300 E301 K348 W349	I293-D297 PolarHBondContact O-N 3.21Å; F294-D297 WeakPolarHBondContact O-CB 3.48Å; F294-D297 PolarHBondContact O-N 2.87Å; L295-D297 VanDerWaalsContact C-N 3.34Å; D297-F299 VanDerWaalsContact C-N 3.27Å; D297-F299 PolarHBondContact O-N 2.87Å; D297-L300 PolarHBondContact O-N 3.26Å; D297-L300 VanDerWaalsContact O-N 3.08Å; D297-E301 WeakPolarHBondContact O-CG 3.43Å; D297-E301 PolarHBondContact O-N 2.88Å; D297-E301 WeakPolarHBondContact OD1-CG 3.38Å; D297-K348 VanDerWaalsContact CG-NZ 3.3Å; D297-K348 WeakPolarHBondContact OD1-CE 3.44Å; D297-K348 IonicContact OD1-NZ 3.65Å; D297-K348 PolarHBondContact OD1-NZ 3.17Å; D297-K348 IonicContact OD2-NZ 3.31Å; D297-K348 PolarHBondContact OD2-NZ 3.21Å; D297-K348 VanDerWaalsContact OD2-NZ 3.17Å; D297-W349 PolarHBondContact OD2-NE1 3.12Å
298	V	97.9	Very high	96.5	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-55.8	-40.8	176.2	162.7	0	0	0	0	112.3	T194 L197 L210 V213 F294 L295 L302	T194-V298 HydrophobicContact CG2-CG2 4.17Å; L197-V298 HydrophobicContact CD1-CB 4.3Å; L197-V298 HydrophobicContact CD1-CG1 3.69Å; L197-V298 HydrophobicContact CD1-CG2 4.02Å; L210-V298 HydrophobicContact CD2-CG1 3.75Å; V213-V298 HydrophobicContact CG1-CG2 4.25Å; V213-V298 HydrophobicContact CG2-CG1 4.44Å; V213-V298 HydrophobicContact CG2-CG2 3.92Å; F294-V298 HydrophobicContact CD2-CG2 3.91Å; F294-V298 HydrophobicContact CE2-CG2 3.43Å; F294-V298 VanDerWaalsContact CE2-CG2 3.43Å; F294-V298 HydrophobicContact CZ-CG2 4.03Å; F294-V298 WeakPolarHBondContact O-CG2 3.45Å; F294-V298 PolarHBondContact O-N 2.8Å; L295-V298 PolarHBondContact O-N 3.39Å; V298-L302 HydrophobicContact CG1-CD1 4.04Å; V298-L302 WeakPolarHBondContact O-CB 3.4Å; V298-L302 WeakPolarHBondContact O-CG 3.34Å; V298-L302 PolarHBondContact O-N 3.18Å
299	F	97.4	Very high	96.7	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-66.9	-37.5	177.5	-72.3	-5.4	0	0	0	113.4	L210 F214 L263 L278 L295 A296 D297 K303 L304 V305 I308 I393	L210-F299 HydrophobicContact CD2-CD1 4.14Å; L210-F299 HydrophobicContact CD2-CE1 3.84Å; F214-F299 HydrophobicContact CE1-CZ 4.47Å; F214-F299 HydrophobicContact CE2-CE1 4.26Å; F214-F299 HydrophobicContact CE2-CZ 4.28Å; F214-F299 HydrophobicContact CZ-CE1 4.14Å; F214-F299 AromaticContact CZ-CZ 3.7Å; F214-F299 HydrophobicContact CZ-CZ 3.7Å; L263-F299 HydrophobicContact CD1-CE1 4.49Å; L263-F299 HydrophobicContact CD2-CZ 4.43Å; L278-F299 HydrophobicContact CD1-CD2 3.59Å; L278-F299 HydrophobicContact CD1-CE2 3.29Å; L278-F299 HydrophobicContact CD1-CZ 4.31Å; L278-F299 HydrophobicContact CD2-CD2 4.25Å; L278-F299 HydrophobicContact CD2-CE2 4.12Å; L278-F299 HydrophobicContact CG-CD2 4.49Å; L278-F299 HydrophobicContact CG-CE2 4.36Å; L295-F299 HydrophobicContact CD1-CD1 4.3Å; L295-F299 HydrophobicContact CD1-CE1 3.61Å; L295-F299 HydrophobicContact CD1-CE2 4.29Å; L295-F299 HydrophobicContact CD1-CZ 3.61Å; L295-F299 HydrophobicContact CD2-CE2 4.49Å; L295-F299 HydrophobicContact CD2-CZ 4.36Å; L295-F299 HydrophobicContact CG-CE1 4.27Å; L295-F299 HydrophobicContact CG-CE2 4.09Å; L295-F299 HydrophobicContact CG-CZ 3.92Å; L295-F299 WeakPolarHBondContact O-CG 3.39Å; L295-F299 PolarHBondContact O-N 3.28Å; L295-F299 VanDerWaalsContact O-N 3.08Å; A296-F299 PolarHBondContact O-N 3.01Å; D297-F299 VanDerWaalsContact C-N 3.27Å; D297-F299 PolarHBondContact O-N 2.87Å; F299-K303 PolarHBondContact O-N 3.34Å; F299-L304 HydrophobicContact CB-CB 4.44Å; F299-L304 HydrophobicContact CB-CD1 4.43Å; F299-L304 HydrophobicContact CD1-CD1 3.53Å; F299-L304 HydrophobicContact CE1-CD1 4.01Å; F299-L304 HydrophobicContact CG-CD1 4.13Å; F299-L304 PolarHBondContact O-N 3.02Å; F299-V305 HydrophobicContact CB-CG2 4.29Å; F299-I308 HydrophobicContact CB-CD1 3.85Å; F299-I308 HydrophobicContact CD2-CD1 4.23Å; F299-I393 HydrophobicContact CE2-CD1 3.84Å; F299-I393 HydrophobicContact CZ-CD1 4.19Å
300	L	96.3	Very high	96.9	Very high	18 Å²	18	16 Å²	16	9%	0.094	8%	0.075	C	C	.	.	H	α-helix	trans	-70.4	-42.1	175.7	-68.9	-178.9	0	0	0	111.6	A296 D297 L302 K303 V305 I308 Y352 L357 F358	A296-L300 PolarHBondContact O-N 3.24Å; A296-L300 VanDerWaalsContact O-N 3.14Å; D297-L300 PolarHBondContact O-N 3.26Å; D297-L300 VanDerWaalsContact O-N 3.08Å; L300-L302 VanDerWaalsContact C-N 3.35Å; L300-L302 PolarHBondContact O-N 3.41Å; L300-K303 WeakPolarHBondContact O-CA 3.36Å; L300-K303 PolarHBondContact O-N 2.66Å; L300-V305 HydrophobicContact CD2-CG2 4.38Å; L300-I308 HydrophobicContact CD2-CD1 4.32Å; L300-I308 HydrophobicContact CD2-CG1 4.35Å; L300-I308 HydrophobicContact CG-CD1 4.05Å; L300-Y352 HydrophobicContact CB-CE2 4.38Å; L300-Y352 HydrophobicContact CD1-CD1 4.41Å; L300-Y352 HydrophobicContact CD1-CD2 3.65Å; L300-Y352 HydrophobicContact CD1-CE1 4.44Å; L300-Y352 HydrophobicContact CD1-CE2 3.69Å; L300-Y352 HydrophobicContact CD1-CG 4.01Å; L300-L357 HydrophobicContact CD1-CB 3.85Å; L300-F358 HydrophobicContact CD1-CD1 3.69Å; L300-F358 HydrophobicContact CD1-CE1 3.36Å; L300-F358 HydrophobicContact CD1-CZ 4.24Å; L300-F358 HydrophobicContact CG-CE1 4.18Å
301	E	96	Very high	97	Very high	42 Å²	42	16.1 Å²	16.1	20%	0.196	8%	0.075	C	C	.	.	H	α-helix	trans	-65.9	-37.2	179.2	-71.8	-67.6	171.5	0	0	112.7	T194 S198 D297 K303 K348 Y352	T194-E301 HydrophobicContact CG2-CG 4.17Å; S198-E301 WeakPolarHBondContact CB-OE2 3.47Å; D297-E301 WeakPolarHBondContact O-CG 3.43Å; D297-E301 PolarHBondContact O-N 2.88Å; D297-E301 WeakPolarHBondContact OD1-CG 3.38Å; E301-K303 PolarHBondContact O-N 2.73Å; E301-K348 WeakPolarHBondContact OE1-CE 3.07Å; E301-K348 IonicContact OE1-NZ 3.82Å; E301-K348 PolarHBondContact OE1-NZ 3.46Å; E301-Y352 PolarHBondContact OE1-OH 3.13Å
302	L	95.1	Very high	97.2	Very high	1 Å²	1	16 Å²	16	1%	0.005	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-2	171.2	-76.5	174.5	0	0	0	113.9	L197 I200 A206 L210 V298 L300 L304	L197-L302 HydrophobicContact CB-CD2 3.9Å; L197-L302 HydrophobicContact CB-CG 4.02Å; L197-L302 HydrophobicContact CD1-CD1 4.18Å; L197-L302 HydrophobicContact CD1-CG 4.19Å; L197-L302 HydrophobicContact CD2-CD1 4.45Å; L197-L302 HydrophobicContact CD2-CD2 4.02Å; L197-L302 HydrophobicContact CD2-CG 4.4Å; L197-L302 HydrophobicContact CG-CD2 4.39Å; L197-L302 HydrophobicContact CG-CG 4.43Å; I200-L302 HydrophobicContact CB-CD2 4.32Å; A206-L302 HydrophobicContact CB-CD1 3.82Å; A206-L302 HydrophobicContact CB-CD2 3.57Å; A206-L302 HydrophobicContact CB-CG 4.36Å; L210-L302 HydrophobicContact CD1-CD1 3.89Å; L210-L302 HydrophobicContact CD2-CD1 3.86Å; L210-L302 HydrophobicContact CG-CD1 3.82Å; V298-L302 HydrophobicContact CG1-CD1 4.04Å; V298-L302 WeakPolarHBondContact O-CB 3.4Å; V298-L302 WeakPolarHBondContact O-CG 3.34Å; V298-L302 PolarHBondContact O-N 3.18Å; L300-L302 VanDerWaalsContact C-N 3.35Å; L300-L302 PolarHBondContact O-N 3.41Å; L302-L304 HydrophobicContact CB-CD1 4.34Å; L302-L304 HydrophobicContact CB-CD2 4Å; L302-L304 HydrophobicContact CB-CG 3.71Å; L302-L304 HydrophobicContact CD1-CD1 4.36Å; L302-L304 PolarHBondContact O-N 3.19Å
303	K	94.4	Very high	97.2	Very high	144 Å²	144	16.1 Å²	16.1	63%	0.626	8%	0.075	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.9	35.2	-176.2	-54.5	173.1	-174	171.4	0	111.6	T270 F299 L300 E301 V305	T270-K303 WeakPolarHBondContact CG2-O 3.47Å; F299-K303 PolarHBondContact O-N 3.34Å; L300-K303 WeakPolarHBondContact O-CA 3.36Å; L300-K303 PolarHBondContact O-N 2.66Å; E301-K303 PolarHBondContact O-N 2.73Å; K303-V305 VanDerWaalsContact C-N 3.32Å
304	L	94.8	Very high	97	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.005	9%	0.085	C	C	.	.			trans	-68.1	-38.6	178	-61.4	-173.6	0	0	0	110.3	I203 L210 L263 I266 R267 T270 F299 L302	I203-L304 HydrophobicContact CD1-CD2 3.37Å; I203-L304 HydrophobicContact CG1-CD2 4.02Å; L210-L304 HydrophobicContact CD2-CD1 4.42Å; L263-L304 HydrophobicContact CD2-CD1 4.34Å; I266-L304 VanDerWaalsContact CG2-O 3.31Å; I266-L304 WeakPolarHBondContact CG2-O 3.29Å; R267-L304 HydrophobicContact CB-CD2 3.77Å; R267-L304 HydrophobicContact CG-CD2 3.99Å; T270-L304 WeakPolarHBondContact CB-O 3.14Å; T270-L304 PolarHBondContact OG1-O 3.26Å; F299-L304 HydrophobicContact CB-CB 4.44Å; F299-L304 HydrophobicContact CB-CD1 4.43Å; F299-L304 HydrophobicContact CD1-CD1 3.53Å; F299-L304 HydrophobicContact CE1-CD1 4.01Å; F299-L304 HydrophobicContact CG-CD1 4.13Å; F299-L304 PolarHBondContact O-N 3.02Å; L302-L304 HydrophobicContact CB-CD1 4.34Å; L302-L304 HydrophobicContact CB-CD2 4Å; L302-L304 HydrophobicContact CB-CG 3.71Å; L302-L304 HydrophobicContact CD1-CD1 4.36Å; L302-L304 PolarHBondContact O-N 3.19Å
305	V	95.5	Very high	96.9	Very high	7 Å²	7	18.3 Å²	18.3	4%	0.042	9%	0.09	C	C	.	.			trans	-137	156	-178.8	-66.8	0	0	0	0	111.4	I266 T276 L278 F299 L300 K303 I308	I266-V305 HydrophobicContact CG2-CG1 3.69Å; T276-V305 WeakPolarHBondContact OG1-CA 3.42Å; L278-V305 HydrophobicContact CB-CG1 4.09Å; L278-V305 HydrophobicContact CB-CG2 4.35Å; F299-V305 HydrophobicContact CB-CG2 4.29Å; L300-V305 HydrophobicContact CD2-CG2 4.38Å; K303-V305 VanDerWaalsContact C-N 3.32Å; V305-I308 HydrophobicContact CG2-CD1 3.98Å; V305-I308 HydrophobicContact CG2-CG1 3.64Å
306	G	94.8	Very high	96.8	Very high	19 Å²	19	18.9 Å²	18.9	20%	0.196	9%	0.094	C	C	.	.	S	Bend	trans	-77.4	-31.5	176	0	0	0	0	0	113.6	T276 L357	T276-G306 PolarHBondContact O-N 3.23Å; T276-G306 VanDerWaalsContact O-N 3.1Å; T276-G306 PolarHBondContact OG1-N 3.4Å; G306-L357 WeakPolarHBondContact O-CD2 3Å
307	R	97.3	Very high	96.6	Very high	94 Å²	94	19 Å²	19	36%	0.355	10%	0.095	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	162	177.1	66.4	177.7	-179	-128.1	-2.7	112.6	T276 C277 L278 L357	T276-R307 PolarHBondContact O-N 3.02Å; C277-R307 WeakPolarHBondContact CA-O 3.31Å; C277-R307 HydrophobicContact CB-CG 4.11Å; L278-R307 PolarHBondContact N-O 2.98Å; R307-L357 CarbonylContact C-O 3.5Å; R307-L357 WeakPolarHBondContact CA-O 3.47Å
308	I	98.6	Very high	96.5	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	129.7	179.4	-59.7	177.6	0	0	0	109.7	L278 I280 A296 F299 L300 V305 F310 L357 F358 E359	L278-I308 HydrophobicContact CD2-CG2 4.22Å; L278-I308 CarbonylContact O-C 3.25Å; L278-I308 VanDerWaalsContact O-CA 3.28Å; L278-I308 WeakPolarHBondContact O-CA 3.3Å; I280-I308 HydrophobicContact CD1-CG2 4.05Å; I280-I308 HydrophobicContact CG1-CG2 4.16Å; A296-I308 VanDerWaalsContact CA-CD1 3.45Å; A296-I308 HydrophobicContact CB-CD1 3.59Å; A296-I308 HydrophobicContact CB-CG2 4.03Å; A296-I308 WeakPolarHBondContact O-CD1 3.38Å; F299-I308 HydrophobicContact CB-CD1 3.85Å; F299-I308 HydrophobicContact CD2-CD1 4.23Å; L300-I308 HydrophobicContact CD2-CD1 4.32Å; L300-I308 HydrophobicContact CD2-CG1 4.35Å; L300-I308 HydrophobicContact CG-CD1 4.05Å; V305-I308 HydrophobicContact CG2-CD1 3.98Å; V305-I308 HydrophobicContact CG2-CG1 3.64Å; I308-F310 HydrophobicContact CG2-CD2 4.48Å; I308-F310 HydrophobicContact CG2-CE2 4.04Å; I308-F310 HydrophobicContact CG2-CZ 4.09Å; I308-L357 PolarHBondContact N-O 3.04Å; I308-F358 HydrophobicContact CB-CD1 4.19Å; I308-F358 HydrophobicContact CB-CE1 4.42Å; I308-F358 HydrophobicContact CD1-CE1 4.25Å; I308-F358 CarbonylContact O-C 3.5Å; I308-F358 WeakPolarHBondContact O-CA 3.47Å; I308-E359 PolarHBondContact O-N 3.19Å
309	R	98.6	Very high	96.3	Very high	9 Å²	9	21.7 Å²	21.7	3%	0.034	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	122.2	176.7	-73.5	-173.2	-56.4	-162.1	-1	110.5	C277 L278 D279 I280 E359 E385 T388 S389	C277-R309 PolarHBondContact SG-NE 3.44Å; L278-R309 PolarHBondContact O-N 2.95Å; D279-R309 CarbonylContact C-O 3.55Å; D279-R309 VanDerWaalsContact CA-O 3.26Å; D279-R309 WeakPolarHBondContact CA-O 3.39Å; D279-R309 WeakPolarHBondContact OD1-CB 3.34Å; D279-R309 IonicContact OD1-CZ 3.7Å; D279-R309 IonicContact OD1-NE 3.26Å; D279-R309 PolarHBondContact OD1-NE 3.03Å; D279-R309 IonicContact OD1-NH2 2.78Å; D279-R309 PolarHBondContact OD1-NH2 2.87Å; D279-R309 IonicContact OD2-CZ 3.64Å; D279-R309 IonicContact OD2-NE 3.46Å; D279-R309 PolarHBondContact OD2-NE 2.95Å; D279-R309 IonicContact OD2-NH2 2.91Å; D279-R309 PolarHBondContact OD2-NH2 3.16Å; I280-R309 PolarHBondContact N-O 3.14Å; R309-E359 CarbonylContact C-O 3.45Å; R309-E359 VanDerWaalsContact CA-O 3.28Å; R309-E359 WeakPolarHBondContact CA-O 2.89Å; R309-E359 VanDerWaalsContact CD-OE2 3.25Å; R309-E359 WeakPolarHBondContact CD-OE2 3.48Å; R309-E359 HydrophobicContact CG-CB 4.01Å; R309-E359 HydrophobicContact CG-CG 4.26Å; R309-E359 VanDerWaalsContact CG-OE2 3.27Å; R309-E359 WeakPolarHBondContact CG-OE2 3.48Å; R309-E385 IonicContact NH1-OE2 2.94Å; R309-E385 PolarHBondContact NH2-O 3.13Å; R309-T388 PolarHBondContact NH2-OG1 2.76Å; R309-S389 PolarHBondContact NH2-OG 2.88Å
310	F	98.9	Very high	96.1	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	132.4	173.6	-60.6	-90.5	0	0	0	109.8	I280 L282 I293 A296 I308 F327 F358 E359 L360 K361	I280-F310 HydrophobicContact CB-CD1 4.11Å; I280-F310 HydrophobicContact CD1-CD1 4.35Å; I280-F310 HydrophobicContact CD1-CE1 3.89Å; I280-F310 CarbonylContact O-C 3.58Å; I280-F310 WeakPolarHBondContact O-CA 2.92Å; L282-F310 HydrophobicContact CD1-CB 4.16Å; L282-F310 HydrophobicContact CD2-CD1 4.17Å; I293-F310 HydrophobicContact CG1-CE1 4.37Å; A296-F310 HydrophobicContact CB-CE1 3.9Å; A296-F310 HydrophobicContact CB-CE2 4.37Å; A296-F310 HydrophobicContact CB-CZ 3.37Å; I308-F310 HydrophobicContact CG2-CD2 4.48Å; I308-F310 HydrophobicContact CG2-CE2 4.04Å; I308-F310 HydrophobicContact CG2-CZ 4.09Å; F310-F327 HydrophobicContact CB-CE2 4.08Å; F310-F327 AromaticContact CD1-CE2 3.71Å; F310-F327 HydrophobicContact CD1-CE2 3.71Å; F310-F327 HydrophobicContact CD1-CZ 4.29Å; F310-F327 AromaticContact CD2-CE2 3.96Å; F310-F327 HydrophobicContact CD2-CE2 3.96Å; F310-F327 AromaticContact CD2-CZ 3.79Å; F310-F327 HydrophobicContact CD2-CZ 3.79Å; F310-F327 HydrophobicContact CE1-CE2 4.01Å; F310-F327 HydrophobicContact CE1-CZ 4.35Å; F310-F327 HydrophobicContact CE2-CE2 4.27Å; F310-F327 AromaticContact CE2-CZ 3.88Å; F310-F327 HydrophobicContact CE2-CZ 3.88Å; F310-F327 AromaticContact CG-CE2 3.64Å; F310-F327 HydrophobicContact CG-CE2 3.64Å; F310-F327 AromaticContact CG-CZ 3.98Å; F310-F327 HydrophobicContact CG-CZ 3.98Å; F310-F327 HydrophobicContact CZ-CE2 4.26Å; F310-F327 HydrophobicContact CZ-CZ 4.13Å; F310-F358 HydrophobicContact CD2-CB 4.47Å; F310-F358 HydrophobicContact CE2-CB 3.89Å; F310-F358 AromaticContact CE2-CD1 3.72Å; F310-F358 HydrophobicContact CE2-CD1 3.72Å; F310-F358 AromaticContact CE2-CD2 3.88Å; F310-F358 HydrophobicContact CE2-CD2 3.88Å; F310-F358 HydrophobicContact CE2-CE1 4.15Å; F310-F358 HydrophobicContact CE2-CE2 4.3Å; F310-F358 AromaticContact CE2-CG 3.57Å; F310-F358 HydrophobicContact CE2-CG 3.57Å; F310-F358 HydrophobicContact CE2-CZ 4.42Å; F310-F358 HydrophobicContact CZ-CD1 4.2Å; F310-F358 HydrophobicContact CZ-CD2 4.26Å; F310-F358 HydrophobicContact CZ-CE1 4.15Å; F310-F358 HydrophobicContact CZ-CE2 4.22Å; F310-F358 HydrophobicContact CZ-CG 4.25Å; F310-F358 HydrophobicContact CZ-CZ 4.16Å; F310-E359 PolarHBondContact N-O 3.21Å; F310-L360 HydrophobicContact CB-CD1 3.91Å; F310-K361 PolarHBondContact O-N 3.01Å
311	H	98.8	Very high	96.2	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.005	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	101.8	176.3	-69.6	-92.3	0	0	0	110	D279 I280 V281 L282 W366 E385	D279-H311 IonicContact OD1-CD2 3.73Å; D279-H311 PolarHBondContact OD1-CD2 2.63Å; D279-H311 IonicContact OD1-CE1 3.15Å; D279-H311 IonicContact OD1-NE2 3.15Å; D279-H311 PolarHBondContact OD1-NE2 3.42Å; I280-H311 PolarHBondContact O-N 2.89Å; V281-H311 HydrophobicContact CG1-CB 4.46Å; V281-H311 HydrophobicContact CG2-CB 4.29Å; L282-H311 PolarHBondContact N-O 2.99Å; L282-H311 VanDerWaalsContact N-O 3.08Å; H311-W366 HydrophobicContact CB-CZ2 3.99Å; H311-W366 AromaticContact CG-CE2 3.84Å; H311-W366 AromaticContact CG-CZ2 3.72Å; H311-W366 AromaticContact CG-NE1 3.57Å; H311-W366 AromaticContact ND1-CE2 3.59Å; H311-W366 AromaticContact ND1-CZ2 3.56Å; H311-W366 AromaticContact ND1-NE1 3.07Å; H311-W366 PolarHBondContact ND1-NE1 2.9Å; H311-E385 IonicContact CE1-OE1 2.67Å
312	A	98.5	Very high	96.2	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	160	174.9	0	0	0	0	0	111.7	L282 L360 K361 T362	L282-A312 HydrophobicContact CD1-CB 4.25Å; A312-L360 HydrophobicContact CB-CD1 4Å; A312-K361 PolarHBondContact N-O 3.38Å; A312-T362 HydrophobicContact CB-CG2 4.21Å
313	K	97.8	Very high	96.3	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.009	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	138.6	175.2	-53.7	-47.1	-175.3	-157.5	0	110.2	L282 L315 Y317 D321 T322 M323 W366 T367 N399	L282-K313 PolarHBondContact O-NZ 3.42Å; K313-L315 VanDerWaalsContact C-N 3.34Å; K313-Y317 HydrophobicContact CD-CD1 4.08Å; K313-Y317 HydrophobicContact CG-CD1 4.27Å; K313-D321 HydrophobicContact CD-CB 4.44Å; K313-D321 WeakPolarHBondContact CE-OD2 3.44Å; K313-D321 HydrophobicContact CG-CB 3.57Å; K313-D321 IonicContact NZ-OD2 2.8Å; K313-T322 PolarHBondContact N-O 3.4Å; K313-M323 HydrophobicContact CB-CG 4.43Å; K313-W366 HydrophobicContact CD-CB 4.23Å; K313-T367 HydrophobicContact CB-CG2 3.72Å; K313-T367 HydrophobicContact CD-CG2 4.41Å; K313-T367 HydrophobicContact CG-CG2 4.41Å; K313-N399 PolarHBondContact NZ-OD1 3.36Å
314	A	95.2	Very high	96.5	Very high	27 Å²	27	16.3 Å²	16.3	22%	0.223	9%	0.094	C	C	.	.	S	Bend	trans	-78.1	-20	-178.4	0	0	0	0	0	113.5	L364	A314-L364 HydrophobicContact CB-CD2 3.98Å
315	L	94.5	Very high	96.5	Very high	20 Å²	20	20.7 Å²	20.7	11%	0.105	12%	0.121	C	C	.	.	S	Bend	trans	-138.9	159.8	-178	-62.5	173.1	0	0	0	108.9	L93 K313 Y317 T367	L93-L315 HydrophobicContact CD1-CD1 3.99Å; L93-L315 HydrophobicContact CD1-CD2 3.65Å; L93-L315 HydrophobicContact CD1-CG 4.43Å; K313-L315 VanDerWaalsContact C-N 3.34Å; L315-Y317 WeakPolarHBondContact O-CB 3.34Å; L315-Y317 PolarHBondContact O-N 3.06Å; L315-T367 HydrophobicContact CB-CG2 4.37Å
316	P	95.7	Very high	96.6	Very high	12 Å²	12	20.9 Å²	20.9	8%	0.078	12%	0.121	C	C	.	.			trans	-52.7	114.6	166.8	-24.9	34.6	0	0	0	109.7	N139 D166 F168 M323	N139-P316 PolarHBondContact ND2-O 2.95Å; N139-P316 WeakPolarHBondContact OD1-CB 3.43Å; N139-P316 WeakPolarHBondContact OD1-CD 3.41Å; N139-P316 PolarHBondContact OD1-O 3.45Å; D166-P316 HydrophobicContact CB-CB 4.4Å; D166-P316 HydrophobicContact CB-CG 3.8Å; D166-P316 WeakPolarHBondContact OD1-CB 3.02Å; F168-P316 HydrophobicContact CD2-CB 4.11Å; F168-P316 HydrophobicContact CE2-CB 4.33Å; P316-M323 HydrophobicContact CB-SD 4.19Å; P316-M323 HydrophobicContact CG-CE 4.21Å; P316-M323 HydrophobicContact CG-SD 3.76Å; P316-M323 VanDerWaalsContact N-SD 3.36Å
317	Y	94.5	Very high	96.8	Very high	3 Å²	3	20 Å²	20	1%	0.012	11%	0.112	C	C	.	.			trans	-146.6	121.7	-168.1	-173.2	-118.4	0	0	0	107.4	S132 K313 L315 D321 T367 L398 K402	S132-Y317 VanDerWaalsContact CB-OH 3.23Å; S132-Y317 WeakPolarHBondContact CB-OH 3.47Å; S132-Y317 PolarHBondContact OG-OH 3.4Å; K313-Y317 HydrophobicContact CD-CD1 4.08Å; K313-Y317 HydrophobicContact CG-CD1 4.27Å; L315-Y317 WeakPolarHBondContact O-CB 3.34Å; L315-Y317 PolarHBondContact O-N 3.06Å; Y317-D321 WeakPolarHBondContact CD1-OD2 3.37Å; Y317-D321 WeakPolarHBondContact O-CB 3.5Å; Y317-T367 HydrophobicContact CD1-CG2 4Å; Y317-T367 HydrophobicContact CD2-CG2 4.3Å; Y317-T367 HydrophobicContact CG-CG2 3.77Å; Y317-L398 HydrophobicContact CD1-CD2 4.18Å; Y317-L398 HydrophobicContact CE1-CD2 3.74Å; Y317-K402 VanDerWaalsContact OH-CE 3.29Å; Y317-K402 WeakPolarHBondContact OH-CE 3.23Å; Y317-K402 PolarHBondContact OH-NZ 2.96Å
318	Y	95.4	Very high	96.8	Very high	21 Å²	21	18.6 Å²	18.6	8%	0.082	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	166.6	-163.9	-66.4	-108.5	0	0	0	112.2	E131 Y135 D321 L398	E131-Y318 HydrophobicContact CG-CE1 3.74Å; E131-Y318 WeakPolarHBondContact CG-OH 3.5Å; E131-Y318 WeakPolarHBondContact OE1-CE1 3.44Å; E131-Y318 PolarHBondContact OE2-OH 3.27Å; Y135-Y318 HydrophobicContact CD2-CD1 4.4Å; Y135-Y318 AromaticContact CD2-CD2 3.82Å; Y135-Y318 HydrophobicContact CD2-CD2 3.82Å; Y135-Y318 AromaticContact CD2-CE2 3.93Å; Y135-Y318 HydrophobicContact CD2-CE2 3.93Å; Y135-Y318 HydrophobicContact CD2-CG 4.05Å; Y135-Y318 AromaticContact CE2-CD1 3.61Å; Y135-Y318 HydrophobicContact CE2-CD1 3.61Å; Y135-Y318 AromaticContact CE2-CD2 3.86Å; Y135-Y318 HydrophobicContact CE2-CD2 3.86Å; Y135-Y318 AromaticContact CE2-CE1 3.83Å; Y135-Y318 HydrophobicContact CE2-CE1 3.83Å; Y135-Y318 HydrophobicContact CE2-CE2 4.03Å; Y135-Y318 AromaticContact CE2-CG 3.63Å; Y135-Y318 HydrophobicContact CE2-CG 3.63Å; Y135-Y318 VanDerWaalsContact CZ-CA 3.44Å; Y318-D321 WeakPolarHBondContact CB-OD1 3.37Å; Y318-L398 HydrophobicContact CD1-CD2 4.31Å; Y318-L398 HydrophobicContact CD2-CD1 4.49Å; Y318-L398 HydrophobicContact CD2-CD2 3.39Å; Y318-L398 HydrophobicContact CE1-CD1 4.07Å; Y318-L398 HydrophobicContact CE1-CD2 4.32Å; Y318-L398 HydrophobicContact CE2-CD1 3.73Å; Y318-L398 HydrophobicContact CE2-CD2 3.44Å; Y318-L398 VanDerWaalsContact CE2-CD2 3.44Å; Y318-L398 HydrophobicContact CE2-CG 4.24Å; Y318-L398 HydrophobicContact CG-CD2 3.88Å; Y318-L398 VanDerWaalsContact CZ-CD1 3.47Å; Y318-L398 WeakPolarHBondContact OH-CD1 3.23Å
319	V	94.4	Very high	96.8	Very high	35 Å²	35	21.7 Å²	21.7	21%	0.212	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-36.6	-171.8	176.8	0	0	0	0	111.3	I39 Y135 F168 Q171	I39-V319 HydrophobicContact CD1-CG2 4.14Å; I39-V319 HydrophobicContact CG1-CG2 4.24Å; I39-V319 HydrophobicContact CG2-CG2 3.88Å; Y135-V319 HydrophobicContact CE1-CG2 4.37Å; F168-V319 VanDerWaalsContact CB-O 3.25Å; F168-V319 WeakPolarHBondContact CB-O 3.45Å; F168-V319 HydrophobicContact CD1-CB 4.33Å; F168-V319 HydrophobicContact CD1-CG1 4.11Å; F168-V319 HydrophobicContact CD1-CG2 4.27Å; F168-V319 HydrophobicContact CE1-CG2 4.08Å; Q171-V319 VanDerWaalsContact OE1-CG1 3.23Å
320	S	93.6	Very high	96.7	Very high	31 Å²	31	21.3 Å²	21.3	22%	0.217	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.4	-5.3	-168.8	41.8	0	0	0	0	113.7	N284 G285	N284-S320 CarbonylContact C-O 3.51Å; N284-S320 VanDerWaalsContact CA-O 3.29Å; N284-S320 WeakPolarHBondContact CA-O 3.25Å; N284-S320 VanDerWaalsContact OD1-CB 3.31Å; N284-S320 WeakPolarHBondContact OD1-CB 3.42Å; N284-S320 PolarHBondContact OD1-OG 2.73Å; G285-S320 PolarHBondContact N-O 2.9Å
321	D	96.8	Very high	96.7	Very high	4 Å²	4	21.7 Å²	21.7	2%	0.021	13%	0.129	C	C	.	.	B	Isolated β-bridge	trans	-64.9	142.8	-173	-60	6.1	0	0	0	112.5	K172 D283 K313 Y317 Y318 M323 L398	K172-D321 PolarHBondContact NZ-O 2.88Å; D283-D321 CarbonylContact O-C 3.17Å; D283-D321 WeakPolarHBondContact O-CA 3.27Å; K313-D321 HydrophobicContact CD-CB 4.44Å; K313-D321 WeakPolarHBondContact CE-OD2 3.44Å; K313-D321 HydrophobicContact CG-CB 3.57Å; K313-D321 IonicContact NZ-OD2 2.8Å; Y317-D321 WeakPolarHBondContact CD1-OD2 3.37Å; Y317-D321 WeakPolarHBondContact O-CB 3.5Å; Y318-D321 WeakPolarHBondContact CB-OD1 3.37Å; D321-M323 PolarHBondContact O-N 3.47Å; D321-L398 VanDerWaalsContact OD2-CD2 3.32Å; D321-L398 WeakPolarHBondContact OD2-CD2 3.21Å
322	T	97.2	Very high	96.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-73.6	121.7	-179	-63.5	0	0	0	0	111.2	L282 D283 N284 G285 L289 K313 D326 F327	L282-T322 HydrophobicContact CD1-CG2 3.83Å; D283-T322 PolarHBondContact O-N 2.78Å; N284-T322 PolarHBondContact O-OG1 3.49Å; G285-T322 VanDerWaalsContact CA-OG1 3.27Å; G285-T322 WeakPolarHBondContact CA-OG1 3.27Å; G285-T322 PolarHBondContact N-OG1 3.44Å; G285-T322 VanDerWaalsContact N-OG1 3.13Å; L289-T322 HydrophobicContact CD1-CG2 4.18Å; L289-T322 HydrophobicContact CD2-CG2 3.56Å; L289-T322 HydrophobicContact CG-CG2 4.45Å; K313-T322 PolarHBondContact N-O 3.4Å; T322-D326 HydrophobicContact CG2-CB 4.32Å; T322-F327 HydrophobicContact CG2-CB 4.38Å
323	M	97.5	Very high	96.6	Very high	27 Å²	27	28.8 Å²	28.8	13%	0.133	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	-97	166.5	162.3	-61.6	178.2	63.5	0	0	110.5	D166 K313 P316 D321 V325 D326 F327	D166-M323 HydrophobicContact CB-SD 4.45Å; K313-M323 HydrophobicContact CB-CG 4.43Å; P316-M323 HydrophobicContact CB-SD 4.19Å; P316-M323 HydrophobicContact CG-CE 4.21Å; P316-M323 HydrophobicContact CG-SD 3.76Å; P316-M323 VanDerWaalsContact N-SD 3.36Å; D321-M323 PolarHBondContact O-N 3.47Å; M323-V325 HydrophobicContact CB-CG2 4.02Å; M323-V325 PolarHBondContact O-N 2.89Å; M323-V325 VanDerWaalsContact O-N 3.16Å; M323-D326 WeakPolarHBondContact CA-OD2 3.1Å; M323-D326 VanDerWaalsContact CB-OD2 3.31Å; M323-D326 WeakPolarHBondContact CB-OD2 3.4Å; M323-D326 PolarHBondContact N-OD2 3.11Å; M323-D326 PolarHBondContact O-N 2.92Å; M323-F327 PolarHBondContact O-N 3.29Å
324	A	97.4	Very high	96.6	Very high	30 Å²	30	28.7 Å²	28.7	25%	0.248	16%	0.163	C	C	.	.	H	α-helix	trans	-59.4	-29.7	179.8	0	0	0	0	0	113.7	S328 L360 T362	A324-S328 PolarHBondContact O-N 2.84Å; A324-S328 VanDerWaalsContact O-N 3.14Å; A324-S328 PolarHBondContact O-OG 2.97Å; A324-L360 HydrophobicContact CB-CD2 3.76Å; A324-L360 HydrophobicContact CB-CG 4.26Å; A324-T362 HydrophobicContact CB-CG2 3.85Å
325	V	96.1	Very high	96.8	Very high	93 Å²	93	31.8 Å²	31.8	56%	0.564	17%	0.169	S	C	*	.	H	α-helix	trans	-66.9	-39.1	175.9	-62.9	0	0	0	0	111.6	M323 S328 W329	M323-V325 HydrophobicContact CB-CG2 4.02Å; M323-V325 PolarHBondContact O-N 2.89Å; M323-V325 VanDerWaalsContact O-N 3.16Å; V325-S328 PolarHBondContact O-N 3.03Å; V325-W329 WeakPolarHBondContact O-CB 3.39Å; V325-W329 PolarHBondContact O-N 3.46Å
326	D	97.1	Very high	96.9	Very high	10 Å²	10	35.2 Å²	35.2	5%	0.053	19%	0.194	C	C	.	.	H	α-helix	trans	-70.1	-39.1	179.4	-48	-66.8	0	0	0	111	K172 T322 M323 W329 I330	K172-D326 WeakPolarHBondContact CE-OD1 3.15Å; K172-D326 VanDerWaalsContact NZ-CG 3.25Å; K172-D326 IonicContact NZ-OD1 3.56Å; K172-D326 PolarHBondContact NZ-OD1 2.81Å; K172-D326 VanDerWaalsContact NZ-OD1 3.13Å; K172-D326 IonicContact NZ-OD2 3.62Å; K172-D326 PolarHBondContact NZ-OD2 2.8Å; T322-D326 HydrophobicContact CG2-CB 4.32Å; M323-D326 WeakPolarHBondContact CA-OD2 3.1Å; M323-D326 VanDerWaalsContact CB-OD2 3.31Å; M323-D326 WeakPolarHBondContact CB-OD2 3.4Å; M323-D326 PolarHBondContact N-OD2 3.11Å; M323-D326 PolarHBondContact O-N 2.92Å; D326-W329 PolarHBondContact O-N 2.97Å; D326-I330 PolarHBondContact O-N 3.4Å
327	F	98.4	Very high	97	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-57.9	-50.8	174.7	-169.8	-77.3	0	0	0	111.5	L282 L289 I293 F310 T322 M323 W329 I331 L353 L360	L282-F327 HydrophobicContact CD1-CD2 4.03Å; L282-F327 HydrophobicContact CD1-CE2 4.5Å; L289-F327 HydrophobicContact CD1-CD2 3.75Å; L289-F327 HydrophobicContact CD1-CE2 4.11Å; L289-F327 HydrophobicContact CD2-CB 4.24Å; L289-F327 HydrophobicContact CD2-CD2 4.27Å; L289-F327 HydrophobicContact CG-CD2 4.5Å; I293-F327 HydrophobicContact CD1-CD2 4.27Å; I293-F327 HydrophobicContact CD1-CE1 4.49Å; I293-F327 HydrophobicContact CD1-CE2 3.83Å; I293-F327 HydrophobicContact CD1-CZ 3.95Å; I293-F327 HydrophobicContact CG1-CE2 3.7Å; I293-F327 HydrophobicContact CG1-CZ 3.91Å; F310-F327 HydrophobicContact CB-CE2 4.08Å; F310-F327 AromaticContact CD1-CE2 3.71Å; F310-F327 HydrophobicContact CD1-CE2 3.71Å; F310-F327 HydrophobicContact CD1-CZ 4.29Å; F310-F327 AromaticContact CD2-CE2 3.96Å; F310-F327 HydrophobicContact CD2-CE2 3.96Å; F310-F327 AromaticContact CD2-CZ 3.79Å; F310-F327 HydrophobicContact CD2-CZ 3.79Å; F310-F327 HydrophobicContact CE1-CE2 4.01Å; F310-F327 HydrophobicContact CE1-CZ 4.35Å; F310-F327 HydrophobicContact CE2-CE2 4.27Å; F310-F327 AromaticContact CE2-CZ 3.88Å; F310-F327 HydrophobicContact CE2-CZ 3.88Å; F310-F327 AromaticContact CG-CE2 3.64Å; F310-F327 HydrophobicContact CG-CE2 3.64Å; F310-F327 AromaticContact CG-CZ 3.98Å; F310-F327 HydrophobicContact CG-CZ 3.98Å; F310-F327 HydrophobicContact CZ-CE2 4.26Å; F310-F327 HydrophobicContact CZ-CZ 4.13Å; T322-F327 HydrophobicContact CG2-CB 4.38Å; M323-F327 PolarHBondContact O-N 3.29Å; F327-W329 VanDerWaalsContact C-N 3.32Å; F327-W329 PolarHBondContact O-N 3.33Å; F327-I331 HydrophobicContact CD1-CD1 3.83Å; F327-I331 HydrophobicContact CE1-CD1 3.38Å; F327-I331 HydrophobicContact CE1-CG1 4.49Å; F327-I331 HydrophobicContact CZ-CD1 4.23Å; F327-I331 PolarHBondContact O-N 2.88Å; F327-L353 HydrophobicContact CE1-CD1 4.23Å; F327-L353 HydrophobicContact CE1-CD2 4.22Å; F327-L360 HydrophobicContact CB-CD1 4.25Å; F327-L360 HydrophobicContact CB-CD2 3.91Å; F327-L360 HydrophobicContact CD1-CD1 4.36Å; F327-L360 HydrophobicContact CD1-CD2 3.83Å; F327-L360 HydrophobicContact CD2-CD1 4Å; F327-L360 HydrophobicContact CE2-CD1 4.49Å; F327-L360 HydrophobicContact CG-CD1 3.95Å; F327-L360 HydrophobicContact CG-CD2 3.94Å
328	S	97.6	Very high	97.2	Very high	65 Å²	65	41.9 Å²	41.9	46%	0.455	24%	0.241	S	C	.	.	H	α-helix	trans	-63.7	-41.2	178.3	-54.3	0	0	0	0	111.3	A324 V325 I331 E332	A324-S328 PolarHBondContact O-N 2.84Å; A324-S328 VanDerWaalsContact O-N 3.14Å; A324-S328 PolarHBondContact O-OG 2.97Å; V325-S328 PolarHBondContact O-N 3.03Å; S328-I331 PolarHBondContact O-N 3.42Å; S328-E332 PolarHBondContact O-N 2.75Å; S328-E332 VanDerWaalsContact O-N 3.08Å
329	W	97.5	Very high	97.3	Very high	65 Å²	65	43.1 Å²	43.1	25%	0.246	25%	0.249	C	C	.	.	H	α-helix	trans	-63.7	-44.8	-179.4	179.4	85.7	0	0	0	112.3	E173 F176 I177 V325 D326 F327 I331 E332 M333	E173-W329 HydrophobicContact CB-CH2 3.86Å; E173-W329 HydrophobicContact CB-CZ2 3.96Å; E173-W329 HydrophobicContact CB-CZ3 4.47Å; E173-W329 HydrophobicContact CG-CD2 4.33Å; E173-W329 HydrophobicContact CG-CE3 4.48Å; E173-W329 HydrophobicContact CG-CH2 3.92Å; E173-W329 HydrophobicContact CG-CZ2 3.72Å; E173-W329 HydrophobicContact CG-CZ3 4.3Å; F176-W329 HydrophobicContact CB-CH2 4.02Å; F176-W329 HydrophobicContact CB-CZ3 3.66Å; F176-W329 AromaticContact CD1-CH2 3.64Å; F176-W329 HydrophobicContact CD1-CH2 3.64Å; F176-W329 AromaticContact CD1-CZ3 3.57Å; F176-W329 HydrophobicContact CD1-CZ3 3.57Å; F176-W329 HydrophobicContact CE1-CH2 4.46Å; F176-W329 HydrophobicContact CE1-CZ3 4.33Å; F176-W329 HydrophobicContact CG-CH2 4.1Å; F176-W329 AromaticContact CG-CZ3 3.66Å; F176-W329 HydrophobicContact CG-CZ3 3.66Å; I177-W329 HydrophobicContact CG1-CH2 4.35Å; V325-W329 WeakPolarHBondContact O-CB 3.39Å; V325-W329 PolarHBondContact O-N 3.46Å; D326-W329 PolarHBondContact O-N 2.97Å; F327-W329 VanDerWaalsContact C-N 3.32Å; F327-W329 PolarHBondContact O-N 3.33Å; W329-I331 VanDerWaalsContact C-N 3.34Å; W329-I331 PolarHBondContact O-N 3.17Å; W329-E332 PolarHBondContact O-N 3.17Å; W329-M333 HydrophobicContact CD2-CG 3.84Å; W329-M333 HydrophobicContact CE3-CG 4.16Å; W329-M333 HydrophobicContact CG-CG 4.45Å; W329-M333 HydrophobicContact CH2-CG 3.96Å; W329-M333 HydrophobicContact CZ2-CE 4.44Å; W329-M333 HydrophobicContact CZ2-CG 3.61Å; W329-M333 HydrophobicContact CZ2-SD 3.9Å; W329-M333 HydrophobicContact CZ3-CG 4.21Å; W329-M333 WeakPolarHBondContact O-CB 3.36Å; W329-M333 VanDerWaalsContact O-CG 3.31Å; W329-M333 WeakPolarHBondContact O-CG 3.41Å; W329-M333 PolarHBondContact O-N 3.41Å
330	I	97.5	Very high	97.4	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.01	27%	0.27	C	S	.	.	H	α-helix	trans	-61.2	-43.6	177.3	-74.1	-171.8	0	0	0	111.1	F176 L289 D326 E332 M333 L334	F176-I330 HydrophobicContact CD2-CD1 3.41Å; F176-I330 VanDerWaalsContact CD2-CD1 3.41Å; F176-I330 HydrophobicContact CD2-CG1 3.68Å; F176-I330 HydrophobicContact CD2-CG2 4.33Å; F176-I330 HydrophobicContact CE2-CB 4.18Å; F176-I330 HydrophobicContact CE2-CD1 3.76Å; F176-I330 HydrophobicContact CE2-CG1 3.76Å; F176-I330 HydrophobicContact CE2-CG2 3.57Å; F176-I330 HydrophobicContact CG-CD1 4.21Å; F176-I330 HydrophobicContact CG-CG1 4.2Å; F176-I330 HydrophobicContact CZ-CG1 4.37Å; F176-I330 HydrophobicContact CZ-CG2 4.04Å; L289-I330 HydrophobicContact CB-CD1 4.13Å; L289-I330 HydrophobicContact CD2-CD1 3.84Å; L289-I330 HydrophobicContact CD2-CG1 4.5Å; L289-I330 HydrophobicContact CG-CD1 4.24Å; D326-I330 PolarHBondContact O-N 3.4Å; I330-E332 VanDerWaalsContact C-N 3.31Å; I330-E332 PolarHBondContact O-N 3.18Å; I330-M333 PolarHBondContact O-N 3.02Å; I330-L334 HydrophobicContact CG2-CD1 4.12Å; I330-L334 HydrophobicContact CG2-CG 4.41Å; I330-L334 VanDerWaalsContact O-CG 3.29Å; I330-L334 WeakPolarHBondContact O-CG 3.45Å; I330-L334 PolarHBondContact O-N 2.94Å
331	I	98.4	Very high	97.5	Very high	7 Å²	7	45.5 Å²	45.5	4%	0.036	27%	0.266	C	S	.	.	H	α-helix	trans	-60.1	-44.1	177.5	-70.5	175.7	0	0	0	110.7	I293 F327 S328 W329 L334 R335 W349 A350 L353	I293-I331 HydrophobicContact CD1-CG1 4.45Å; F327-I331 HydrophobicContact CD1-CD1 3.83Å; F327-I331 HydrophobicContact CE1-CD1 3.38Å; F327-I331 HydrophobicContact CE1-CG1 4.49Å; F327-I331 HydrophobicContact CZ-CD1 4.23Å; F327-I331 PolarHBondContact O-N 2.88Å; S328-I331 PolarHBondContact O-N 3.42Å; W329-I331 VanDerWaalsContact C-N 3.34Å; W329-I331 PolarHBondContact O-N 3.17Å; I331-L334 PolarHBondContact O-N 3.44Å; I331-R335 HydrophobicContact CG2-CG 4.48Å; I331-R335 VanDerWaalsContact O-CG 3.32Å; I331-R335 WeakPolarHBondContact O-CG 3.48Å; I331-R335 PolarHBondContact O-N 2.67Å; I331-W349 HydrophobicContact CD1-CB 4.35Å; I331-W349 HydrophobicContact CG1-CB 4.5Å; I331-A350 HydrophobicContact CG2-CB 3.93Å; I331-L353 HydrophobicContact CD1-CD1 3.54Å; I331-L353 HydrophobicContact CD1-CG 4.5Å
332	E	98.2	Very high	97.6	Very high	82 Å²	82	45.6 Å²	45.6	38%	0.383	27%	0.267	S	S	.	.	H	α-helix	trans	-66.8	-39.4	178.8	-171.6	51.6	-138.6	0	0	112.6	S328 W329 I330 L334 R335 S336	S328-E332 PolarHBondContact O-N 2.75Å; S328-E332 VanDerWaalsContact O-N 3.08Å; W329-E332 PolarHBondContact O-N 3.17Å; I330-E332 VanDerWaalsContact C-N 3.31Å; I330-E332 PolarHBondContact O-N 3.18Å; E332-L334 VanDerWaalsContact C-N 3.29Å; E332-L334 PolarHBondContact O-N 3.22Å; E332-R335 PolarHBondContact O-N 2.93Å; E332-R335 IonicContact OE2-CZ 3.75Å; E332-R335 IonicContact OE2-NE 3.47Å; E332-R335 IonicContact OE2-NH1 2.63Å; E332-R335 PolarHBondContact OE2-NH1 3.36Å; E332-S336 WeakPolarHBondContact O-CB 3.44Å; E332-S336 PolarHBondContact O-N 3.34Å; E332-S336 PolarHBondContact O-OG 3.43Å; E332-S336 PolarHBondContact OE1-OG 2.77Å
333	M	97.9	Very high	97.7	Very high	69 Å²	69	47 Å²	47	34%	0.34	28%	0.277	S	S	.	.	H	α-helix	trans	-60.4	-38.8	173.6	-73.9	-59.7	-60	0	0	112.2	F176 W329 I330 S337	F176-M333 HydrophobicContact CE1-CB 3.84Å; F176-M333 HydrophobicContact CE1-CG 4.35Å; F176-M333 HydrophobicContact CZ-CB 4.3Å; W329-M333 HydrophobicContact CD2-CG 3.84Å; W329-M333 HydrophobicContact CE3-CG 4.16Å; W329-M333 HydrophobicContact CG-CG 4.45Å; W329-M333 HydrophobicContact CH2-CG 3.96Å; W329-M333 HydrophobicContact CZ2-CE 4.44Å; W329-M333 HydrophobicContact CZ2-CG 3.61Å; W329-M333 HydrophobicContact CZ2-SD 3.9Å; W329-M333 HydrophobicContact CZ3-CG 4.21Å; W329-M333 WeakPolarHBondContact O-CB 3.36Å; W329-M333 VanDerWaalsContact O-CG 3.31Å; W329-M333 WeakPolarHBondContact O-CG 3.41Å; W329-M333 PolarHBondContact O-N 3.41Å; I330-M333 PolarHBondContact O-N 3.02Å; M333-S337 PolarHBondContact O-N 3.42Å
334	L	98.5	Very high	97.7	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-67.6	-47.3	175.1	-67.7	176	0	0	0	111.2	F176 I183 F290 I330 I331 E332 S336 S337 M342 S343 W349	F176-L334 HydrophobicContact CZ-CD2 4.23Å; F176-L334 HydrophobicContact CZ-CG 4.49Å; I183-L334 HydrophobicContact CG2-CD2 4.1Å; F290-L334 HydrophobicContact CD2-CD1 4.04Å; F290-L334 HydrophobicContact CD2-CD2 4.42Å; F290-L334 HydrophobicContact CE2-CD1 4.09Å; F290-L334 HydrophobicContact CE2-CD2 4.28Å; I330-L334 HydrophobicContact CG2-CD1 4.12Å; I330-L334 HydrophobicContact CG2-CG 4.41Å; I330-L334 VanDerWaalsContact O-CG 3.29Å; I330-L334 WeakPolarHBondContact O-CG 3.45Å; I330-L334 PolarHBondContact O-N 2.94Å; I331-L334 PolarHBondContact O-N 3.44Å; E332-L334 VanDerWaalsContact C-N 3.29Å; E332-L334 PolarHBondContact O-N 3.22Å; L334-S336 VanDerWaalsContact C-N 3.33Å; L334-S336 PolarHBondContact O-N 2.62Å; L334-S337 WeakPolarHBondContact O-CB 3.01Å; L334-S337 PolarHBondContact O-N 2.91Å; L334-S337 VanDerWaalsContact O-N 3.1Å; L334-M342 HydrophobicContact CD2-CB 3.98Å; L334-M342 HydrophobicContact CD2-CE 3.44Å; L334-M342 VanDerWaalsContact CD2-CE 3.44Å; L334-M342 HydrophobicContact CD2-CG 4.16Å; L334-M342 CarbonylContact O-C 3.55Å; L334-S343 WeakPolarHBondContact O-CA 3.44Å; L334-S343 PolarHBondContact O-N 2.98Å; L334-W349 HydrophobicContact CD1-CE3 3.66Å; L334-W349 HydrophobicContact CD1-CH2 4.2Å; L334-W349 HydrophobicContact CD1-CZ3 3.26Å
335	R	98.1	Very high	97.7	Very high	92 Å²	92	48 Å²	48	35%	0.347	28%	0.281	S	S	.	.	H	α-helix	trans	-56.2	-46.2	178.5	-73.1	175.1	75.5	-157.3	9.7	112.6	I331 E332 S337 S343 G346 N347	I331-R335 HydrophobicContact CG2-CG 4.48Å; I331-R335 VanDerWaalsContact O-CG 3.32Å; I331-R335 WeakPolarHBondContact O-CG 3.48Å; I331-R335 PolarHBondContact O-N 2.67Å; E332-R335 PolarHBondContact O-N 2.93Å; E332-R335 IonicContact OE2-CZ 3.75Å; E332-R335 IonicContact OE2-NE 3.47Å; E332-R335 IonicContact OE2-NH1 2.63Å; E332-R335 PolarHBondContact OE2-NH1 3.36Å; R335-S337 PolarHBondContact O-N 3.32Å; R335-S343 PolarHBondContact O-OG 2.73Å; R335-G346 WeakPolarHBondContact CG-O 3.49Å; R335-N347 PolarHBondContact NE-OD1 3.46Å
336	S	97.7	Very high	97.9	Very high	91 Å²	91	43.6 Å²	43.6	64%	0.636	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	0.7	-178.6	-71.8	0	0	0	0	113.7	E332 L334	E332-S336 WeakPolarHBondContact O-CB 3.44Å; E332-S336 PolarHBondContact O-N 3.34Å; E332-S336 PolarHBondContact O-OG 3.43Å; E332-S336 PolarHBondContact OE1-OG 2.77Å; L334-S336 VanDerWaalsContact C-N 3.33Å; L334-S336 PolarHBondContact O-N 2.62Å
337	S	97.6	Very high	97.9	Very high	30 Å²	30	46.7 Å²	46.7	21%	0.21	27%	0.271	C	S	.	.			trans	-69.5	141.6	179.3	-173.2	0	0	0	0	112.1	M333 L334 R335 N339	M333-S337 PolarHBondContact O-N 3.42Å; L334-S337 WeakPolarHBondContact O-CB 3.01Å; L334-S337 PolarHBondContact O-N 2.91Å; L334-S337 VanDerWaalsContact O-N 3.1Å; R335-S337 PolarHBondContact O-N 3.32Å; S337-N339 PolarHBondContact O-N 3.31Å; S337-N339 PolarHBondContact OG-N 3.45Å; S337-N339 VanDerWaalsContact OG-N 3.16Å
338	S	97.2	Very high	97.9	Very high	125 Å²	125	48.6 Å²	48.6	87%	0.874	28%	0.279	S	S	*	.	S	Bend	trans	-75.6	-13.5	169.5	58.6	0	0	0	0	113	P340	S338-P340 WeakPolarHBondContact O-CD 3.46Å
339	N	97.5	Very high	98	Very high	47 Å²	47	45.5 Å²	45.5	25%	0.251	26%	0.258	S	S	.	.	S	Bend	trans	-75.1	121.6	173.2	-179.8	-68.5	0	0	0	109.7	S337 A341 M342 S343	S337-N339 PolarHBondContact O-N 3.31Å; S337-N339 PolarHBondContact OG-N 3.45Å; S337-N339 VanDerWaalsContact OG-N 3.16Å; N339-A341 PolarHBondContact O-N 3.02Å; N339-A341 PolarHBondContact OD1-N 3.21Å; N339-M342 HydrophobicContact CB-CB 4.12Å; N339-M342 HydrophobicContact CB-CG 4.03Å; N339-M342 HydrophobicContact CB-SD 3.77Å; N339-M342 PolarHBondContact O-N 2.76Å; N339-M342 PolarHBondContact OD1-N 3.1Å; N339-M342 VanDerWaalsContact OD1-N 3.14Å; N339-S343 PolarHBondContact O-N 3.22Å
340	P	97.4	Very high	98	Very high	100 Å²	100	43 Å²	43	65%	0.649	25%	0.251	S	S	*	.	H	α-helix	trans	-59.4	-42.6	-175.1	-26.9	35.4	0	0	0	114.1	S338 M342 S343 T344	S338-P340 WeakPolarHBondContact O-CD 3.46Å; P340-M342 PolarHBondContact O-N 3.43Å; P340-S343 PolarHBondContact O-N 3.37Å; P340-T344 WeakPolarHBondContact O-CB 3.33Å; P340-T344 PolarHBondContact O-N 3.17Å; P340-T344 PolarHBondContact O-OG1 3.42Å
341	A	96.9	Very high	98.1	Very high	16 Å²	16	47.1 Å²	47.1	13%	0.132	27%	0.27	C	S	.	.	H	α-helix	trans	-64.8	-43	-178.9	0	0	0	0	0	111.4	A187 N339 T344 L345	A187-A341 HydrophobicContact CB-CB 4.09Å; N339-A341 PolarHBondContact O-N 3.02Å; N339-A341 PolarHBondContact OD1-N 3.21Å; A341-T344 PolarHBondContact O-N 3.19Å; A341-L345 WeakPolarHBondContact O-CG 3.36Å; A341-L345 PolarHBondContact O-N 3.3Å
342	M	98.1	Very high	98.1	Very high	7 Å²	7	47.9 Å²	47.9	3%	0.034	27%	0.272	C	S	.	.	H	α-helix	trans	-63.3	-45.7	175.9	-65.9	174.6	68	0	0	111.8	L180 I183 A184 A187 L334 N339 P340 T344 L345 G346	L180-M342 HydrophobicContact CD2-CE 3.7Å; I183-M342 HydrophobicContact CG2-CE 3.94Å; A184-M342 HydrophobicContact CB-SD 3.96Å; A187-M342 HydrophobicContact CB-CB 4.48Å; A187-M342 HydrophobicContact CB-CG 3.65Å; L334-M342 HydrophobicContact CD2-CB 3.98Å; L334-M342 HydrophobicContact CD2-CE 3.44Å; L334-M342 VanDerWaalsContact CD2-CE 3.44Å; L334-M342 HydrophobicContact CD2-CG 4.16Å; L334-M342 CarbonylContact O-C 3.55Å; N339-M342 HydrophobicContact CB-CB 4.12Å; N339-M342 HydrophobicContact CB-CG 4.03Å; N339-M342 HydrophobicContact CB-SD 3.77Å; N339-M342 PolarHBondContact O-N 2.76Å; N339-M342 PolarHBondContact OD1-N 3.1Å; N339-M342 VanDerWaalsContact OD1-N 3.14Å; P340-M342 PolarHBondContact O-N 3.43Å; M342-T344 PolarHBondContact O-N 2.96Å; M342-L345 PolarHBondContact O-N 3.01Å; M342-G346 PolarHBondContact O-N 2.72Å
343	S	98.4	Very high	98.1	Very high	30 Å²	30	46.7 Å²	46.7	21%	0.21	27%	0.268	C	S	.	.	H	α-helix	trans	-64.3	-40.5	178	-170.9	0	0	0	0	112.1	L334 R335 N339 P340 G346 N347	L334-S343 WeakPolarHBondContact O-CA 3.44Å; L334-S343 PolarHBondContact O-N 2.98Å; R335-S343 PolarHBondContact O-OG 2.73Å; N339-S343 PolarHBondContact O-N 3.22Å; P340-S343 PolarHBondContact O-N 3.37Å; S343-G346 PolarHBondContact O-N 3.48Å; S343-N347 WeakPolarHBondContact O-CB 3.4Å; S343-N347 PolarHBondContact O-N 2.9Å; S343-N347 PolarHBondContact O-ND2 3.12Å; S343-N347 PolarHBondContact OG-ND2 3.34Å
344	T	98.3	Very high	98.1	Very high	77 Å²	77	50.1 Å²	50.1	47%	0.472	28%	0.284	S	S	.	.	H	α-helix	trans	-58.7	-48.4	173.8	-65.4	0	0	0	0	111.6	P340 A341 M342 N347 K348	P340-T344 WeakPolarHBondContact O-CB 3.33Å; P340-T344 PolarHBondContact O-N 3.17Å; P340-T344 PolarHBondContact O-OG1 3.42Å; A341-T344 PolarHBondContact O-N 3.19Å; M342-T344 PolarHBondContact O-N 2.96Å; T344-N347 PolarHBondContact O-N 2.95Å; T344-K348 WeakPolarHBondContact O-CB 3.37Å; T344-K348 PolarHBondContact O-N 3.33Å
345	L	98.4	Very high	98.1	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.005	31%	0.311	C	S	.	.	H	α-helix	trans	-64.9	-45	177.6	-68.9	176.4	0	0	0	112.2	A187 A190 F290 A341 M342 N347 K348 W349	A187-L345 HydrophobicContact CB-CD1 3.7Å; A190-L345 HydrophobicContact CB-CD1 3.81Å; A190-L345 HydrophobicContact CB-CD2 4.38Å; F290-L345 HydrophobicContact CE2-CD1 4.36Å; F290-L345 HydrophobicContact CZ-CD1 4.06Å; A341-L345 WeakPolarHBondContact O-CG 3.36Å; A341-L345 PolarHBondContact O-N 3.3Å; M342-L345 PolarHBondContact O-N 3.01Å; L345-N347 VanDerWaalsContact C-N 3.31Å; L345-N347 PolarHBondContact O-N 3.49Å; L345-K348 WeakPolarHBondContact O-CB 3.37Å; L345-K348 PolarHBondContact O-N 3.23Å; L345-W349 HydrophobicContact CB-CD2 4.38Å; L345-W349 HydrophobicContact CB-CH2 4.44Å; L345-W349 HydrophobicContact CB-CZ2 4.08Å; L345-W349 HydrophobicContact CD1-CH2 4.4Å; L345-W349 HydrophobicContact CD1-CZ2 4.11Å; L345-W349 HydrophobicContact CD2-CZ2 4.16Å; L345-W349 HydrophobicContact CG-CZ2 4.35Å; L345-W349 WeakPolarHBondContact O-CB 3.23Å; L345-W349 PolarHBondContact O-N 2.91Å
346	G	98.6	Very high	98	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-56.9	-44.8	177.7	0	0	0	0	0	112.1	R335 M342 S343 A350	R335-G346 WeakPolarHBondContact CG-O 3.49Å; M342-G346 PolarHBondContact O-N 2.72Å; S343-G346 PolarHBondContact O-N 3.48Å; G346-A350 VanDerWaalsContact O-CB 3.32Å; G346-A350 WeakPolarHBondContact O-CB 3.37Å; G346-A350 PolarHBondContact O-N 3.11Å
347	N	98.7	Very high	98	Very high	75 Å²	75	53.3 Å²	53.3	40%	0.401	30%	0.303	S	S	.	.	H	α-helix	trans	-67.8	-40.1	177.6	-73.7	-52.4	0	0	0	112	R335 S343 T344 L345 H351	R335-N347 PolarHBondContact NE-OD1 3.46Å; S343-N347 WeakPolarHBondContact O-CB 3.4Å; S343-N347 PolarHBondContact O-N 2.9Å; S343-N347 PolarHBondContact O-ND2 3.12Å; S343-N347 PolarHBondContact OG-ND2 3.34Å; T344-N347 PolarHBondContact O-N 2.95Å; L345-N347 VanDerWaalsContact C-N 3.31Å; L345-N347 PolarHBondContact O-N 3.49Å; N347-H351 WeakPolarHBondContact O-CB 3.46Å; N347-H351 PolarHBondContact O-N 3.44Å
348	K	98.6	Very high	98	Very high	40 Å²	40	52 Å²	52	17%	0.174	29%	0.293	C	S	.	.	H	α-helix	trans	-61.9	-48.2	176.3	-176.8	-175.3	-177	-170.6	0	112.1	D297 E301 T344 L345 H351 Y352	D297-K348 VanDerWaalsContact CG-NZ 3.3Å; D297-K348 WeakPolarHBondContact OD1-CE 3.44Å; D297-K348 IonicContact OD1-NZ 3.65Å; D297-K348 PolarHBondContact OD1-NZ 3.17Å; D297-K348 IonicContact OD2-NZ 3.31Å; D297-K348 PolarHBondContact OD2-NZ 3.21Å; D297-K348 VanDerWaalsContact OD2-NZ 3.17Å; E301-K348 WeakPolarHBondContact OE1-CE 3.07Å; E301-K348 IonicContact OE1-NZ 3.82Å; E301-K348 PolarHBondContact OE1-NZ 3.46Å; T344-K348 WeakPolarHBondContact O-CB 3.37Å; T344-K348 PolarHBondContact O-N 3.33Å; L345-K348 WeakPolarHBondContact O-CB 3.37Å; L345-K348 PolarHBondContact O-N 3.23Å; K348-H351 WeakPolarHBondContact O-CB 3.29Å; K348-H351 PolarHBondContact O-N 3.12Å; K348-H351 VanDerWaalsContact O-N 3.17Å; K348-Y352 WeakPolarHBondContact CE-OH 3.31Å; K348-Y352 HydrophobicContact CG-CE2 4.2Å; K348-Y352 PolarHBondContact O-N 3.48Å
349	W	98.6	Very high	98.1	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-70.6	-35	-178.4	-58.7	-17	0	0	0	112.3	F290 I293 F294 D297 I331 L334 L345 H351 Y352 L353 F358	F290-W349 AromaticContact CD2-CH2 3.79Å; F290-W349 HydrophobicContact CD2-CH2 3.79Å; F290-W349 AromaticContact CD2-CZ3 3.97Å; F290-W349 HydrophobicContact CD2-CZ3 3.97Å; F290-W349 AromaticContact CE2-CH2 3.51Å; F290-W349 HydrophobicContact CE2-CH2 3.51Å; F290-W349 AromaticContact CE2-CZ3 3.98Å; F290-W349 HydrophobicContact CE2-CZ3 3.98Å; F290-W349 HydrophobicContact CG-CH2 4.44Å; F290-W349 AromaticContact CZ-CH2 3.92Å; F290-W349 HydrophobicContact CZ-CH2 3.92Å; I293-W349 HydrophobicContact CB-CD2 4.46Å; I293-W349 HydrophobicContact CB-CE3 4.14Å; I293-W349 HydrophobicContact CB-CH2 4.19Å; I293-W349 HydrophobicContact CB-CZ3 3.96Å; I293-W349 HydrophobicContact CD1-CE3 4.47Å; I293-W349 HydrophobicContact CD1-CZ3 4.44Å; I293-W349 HydrophobicContact CG2-CB 4.34Å; I293-W349 HydrophobicContact CG2-CD2 3.35Å; I293-W349 HydrophobicContact CG2-CE3 3.36Å; I293-W349 HydrophobicContact CG2-CG 3.8Å; I293-W349 HydrophobicContact CG2-CH2 4.04Å; I293-W349 HydrophobicContact CG2-CZ2 4.07Å; I293-W349 HydrophobicContact CG2-CZ3 3.7Å; F294-W349 HydrophobicContact CB-CZ2 4.3Å; D297-W349 PolarHBondContact OD2-NE1 3.12Å; I331-W349 HydrophobicContact CD1-CB 4.35Å; I331-W349 HydrophobicContact CG1-CB 4.5Å; L334-W349 HydrophobicContact CD1-CE3 3.66Å; L334-W349 HydrophobicContact CD1-CH2 4.2Å; L334-W349 HydrophobicContact CD1-CZ3 3.26Å; L345-W349 HydrophobicContact CB-CD2 4.38Å; L345-W349 HydrophobicContact CB-CH2 4.44Å; L345-W349 HydrophobicContact CB-CZ2 4.08Å; L345-W349 HydrophobicContact CD1-CH2 4.4Å; L345-W349 HydrophobicContact CD1-CZ2 4.11Å; L345-W349 HydrophobicContact CD2-CZ2 4.16Å; L345-W349 HydrophobicContact CG-CZ2 4.35Å; L345-W349 WeakPolarHBondContact O-CB 3.23Å; L345-W349 PolarHBondContact O-N 2.91Å; W349-H351 VanDerWaalsContact C-N 3.31Å; W349-Y352 PolarHBondContact O-N 3.05Å; W349-L353 PolarHBondContact O-N 3.21Å; W349-L353 VanDerWaalsContact O-N 3.13Å; W349-F358 HydrophobicContact CB-CE2 4.17Å; W349-F358 HydrophobicContact CG-CE2 4.21Å
350	A	98.7	Very high	98.1	Very high	12 Å²	12	48.9 Å²	48.9	10%	0.099	26%	0.264	C	S	.	.	H	α-helix	trans	-61	-41.8	168.7	0	0	0	0	0	111.6	I331 G346 Y352 L353 E354	I331-A350 HydrophobicContact CG2-CB 3.93Å; G346-A350 VanDerWaalsContact O-CB 3.32Å; G346-A350 WeakPolarHBondContact O-CB 3.37Å; G346-A350 PolarHBondContact O-N 3.11Å; A350-Y352 VanDerWaalsContact C-N 3.33Å; A350-Y352 PolarHBondContact O-N 3.45Å; A350-L353 WeakPolarHBondContact O-CB 3.36Å; A350-L353 PolarHBondContact O-N 3.06Å; A350-E354 WeakPolarHBondContact O-CG 3.49Å; A350-E354 PolarHBondContact O-N 2.91Å
351	H	98.5	Very high	98.1	Very high	88 Å²	88	46.9 Å²	46.9	41%	0.407	25%	0.246	S	C	.	.	H	α-helix	trans	-62.7	-37.9	174.8	-170.1	66.2	0	0	0	112.7	N347 K348 W349 L353 E354 K355	N347-H351 WeakPolarHBondContact O-CB 3.46Å; N347-H351 PolarHBondContact O-N 3.44Å; K348-H351 WeakPolarHBondContact O-CB 3.29Å; K348-H351 PolarHBondContact O-N 3.12Å; K348-H351 VanDerWaalsContact O-N 3.17Å; W349-H351 VanDerWaalsContact C-N 3.31Å; H351-L353 VanDerWaalsContact C-N 3.32Å; H351-L353 PolarHBondContact O-N 3.5Å; H351-E354 IonicContact ND1-OE2 2.62Å; H351-E354 PolarHBondContact O-N 3.16Å; H351-K355 WeakPolarHBondContact CE1-CE 3.17Å; H351-K355 WeakPolarHBondContact O-CB 3.42Å; H351-K355 WeakPolarHBondContact O-CG 3.31Å; H351-K355 PolarHBondContact O-N 2.78Å
352	Y	98.5	Very high	98.2	Very high	23 Å²	23	49.7 Å²	49.7	9%	0.09	26%	0.261	C	S	.	.	H	α-helix	trans	-62.9	-36.5	174.1	-70.5	-16.8	0	0	0	113.1	L300 E301 K348 W349 A350 A356 L357 F358	L300-Y352 HydrophobicContact CB-CE2 4.38Å; L300-Y352 HydrophobicContact CD1-CD1 4.41Å; L300-Y352 HydrophobicContact CD1-CD2 3.65Å; L300-Y352 HydrophobicContact CD1-CE1 4.44Å; L300-Y352 HydrophobicContact CD1-CE2 3.69Å; L300-Y352 HydrophobicContact CD1-CG 4.01Å; E301-Y352 PolarHBondContact OE1-OH 3.13Å; K348-Y352 WeakPolarHBondContact CE-OH 3.31Å; K348-Y352 HydrophobicContact CG-CE2 4.2Å; K348-Y352 PolarHBondContact O-N 3.48Å; W349-Y352 PolarHBondContact O-N 3.05Å; A350-Y352 VanDerWaalsContact C-N 3.33Å; A350-Y352 PolarHBondContact O-N 3.45Å; Y352-A356 PolarHBondContact O-N 2.79Å; Y352-L357 HydrophobicContact CD1-CB 4.44Å; Y352-L357 HydrophobicContact CD1-CD1 3.71Å; Y352-L357 HydrophobicContact CE1-CD1 3.99Å; Y352-L357 HydrophobicContact CG-CB 4.46Å; Y352-L357 PolarHBondContact O-N 3.19Å; Y352-F358 HydrophobicContact CD2-CD1 4.35Å; Y352-F358 HydrophobicContact CD2-CD2 4.21Å; Y352-F358 AromaticContact CD2-CE1 3.95Å; Y352-F358 HydrophobicContact CD2-CE1 3.95Å; Y352-F358 AromaticContact CD2-CE2 3.79Å; Y352-F358 HydrophobicContact CD2-CE2 3.79Å; Y352-F358 HydrophobicContact CD2-CG 4.47Å; Y352-F358 AromaticContact CD2-CZ 3.67Å; Y352-F358 HydrophobicContact CD2-CZ 3.67Å; Y352-F358 HydrophobicContact CE2-CZ 4.33Å; Y352-F358 PolarHBondContact O-N 3.34Å
353	L	98.3	Very high	98.1	Very high	57 Å²	57	51.9 Å²	51.9	30%	0.298	27%	0.271	S	S	.	.	H	α-helix	trans	-65.3	-47.3	171.6	-71	168.3	0	0	0	111.5	F327 I331 W349 A350 H351 K355 A356 F358	F327-L353 HydrophobicContact CE1-CD1 4.23Å; F327-L353 HydrophobicContact CE1-CD2 4.22Å; I331-L353 HydrophobicContact CD1-CD1 3.54Å; I331-L353 HydrophobicContact CD1-CG 4.5Å; W349-L353 PolarHBondContact O-N 3.21Å; W349-L353 VanDerWaalsContact O-N 3.13Å; A350-L353 WeakPolarHBondContact O-CB 3.36Å; A350-L353 PolarHBondContact O-N 3.06Å; H351-L353 VanDerWaalsContact C-N 3.32Å; H351-L353 PolarHBondContact O-N 3.5Å; L353-K355 PolarHBondContact O-N 3.41Å; L353-A356 PolarHBondContact O-N 3.25Å; L353-F358 HydrophobicContact CD2-CB 3.74Å; L353-F358 HydrophobicContact CG-CB 4.11Å
354	E	98	Very high	98	Very high	142 Å²	142	52.7 Å²	52.7	66%	0.664	27%	0.273	S	S	*	.	H	α-helix	trans	-58.7	-33.5	177.8	-70.7	172	-178.5	0	0	112.7	A350 H351	A350-E354 WeakPolarHBondContact O-CG 3.49Å; A350-E354 PolarHBondContact O-N 2.91Å; H351-E354 IonicContact ND1-OE2 2.62Å; H351-E354 PolarHBondContact O-N 3.16Å
355	K	97.3	Very high	97.9	Very high	130 Å²	130	49.1 Å²	49.1	57%	0.565	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	2.7	178.1	-64.3	-60.4	-179.3	-174.6	0	114.4	H351 L353 L357	H351-K355 WeakPolarHBondContact CE1-CE 3.17Å; H351-K355 WeakPolarHBondContact O-CB 3.42Å; H351-K355 WeakPolarHBondContact O-CG 3.31Å; H351-K355 PolarHBondContact O-N 2.78Å; L353-K355 PolarHBondContact O-N 3.41Å; K355-L357 HydrophobicContact CB-CD1 4.41Å; K355-L357 HydrophobicContact CB-CG 4.05Å; K355-L357 PolarHBondContact O-N 3.12Å; K355-L357 VanDerWaalsContact O-N 3.17Å
356	A	96.4	Very high	97.9	Very high	62 Å²	62	49.1 Å²	49.1	51%	0.512	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.6	26.4	-174.8	0	0	0	0	0	114	Y352 L353	Y352-A356 PolarHBondContact O-N 2.79Å; L353-A356 PolarHBondContact O-N 3.25Å
357	L	97.4	Very high	97.8	Very high	58 Å²	58	49.2 Å²	49.2	30%	0.304	25%	0.251	S	S	.	.	S	Bend	trans	-78.3	-36.5	167.4	-60.1	-178.8	0	0	0	110	L300 G306 R307 I308 Y352 K355	L300-L357 HydrophobicContact CD1-CB 3.85Å; G306-L357 WeakPolarHBondContact O-CD2 3Å; R307-L357 CarbonylContact C-O 3.5Å; R307-L357 WeakPolarHBondContact CA-O 3.47Å; I308-L357 PolarHBondContact N-O 3.04Å; Y352-L357 HydrophobicContact CD1-CB 4.44Å; Y352-L357 HydrophobicContact CD1-CD1 3.71Å; Y352-L357 HydrophobicContact CE1-CD1 3.99Å; Y352-L357 HydrophobicContact CG-CB 4.46Å; Y352-L357 PolarHBondContact O-N 3.19Å; K355-L357 HydrophobicContact CB-CD1 4.41Å; K355-L357 HydrophobicContact CB-CG 4.05Å; K355-L357 PolarHBondContact O-N 3.12Å; K355-L357 VanDerWaalsContact O-N 3.17Å
358	F	98.6	Very high	97.7	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.009	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	133.1	160.8	-72.9	-6.5	0	0	0	108.8	I293 A296 L300 I308 F310 W349 Y352 L353	I293-F358 HydrophobicContact CG2-CE2 3.67Å; I293-F358 HydrophobicContact CG2-CZ 4.25Å; A296-F358 HydrophobicContact CB-CE1 3.57Å; A296-F358 HydrophobicContact CB-CZ 3.62Å; L300-F358 HydrophobicContact CD1-CD1 3.69Å; L300-F358 HydrophobicContact CD1-CE1 3.36Å; L300-F358 HydrophobicContact CD1-CZ 4.24Å; L300-F358 HydrophobicContact CG-CE1 4.18Å; I308-F358 HydrophobicContact CB-CD1 4.19Å; I308-F358 HydrophobicContact CB-CE1 4.42Å; I308-F358 HydrophobicContact CD1-CE1 4.25Å; I308-F358 CarbonylContact O-C 3.5Å; I308-F358 WeakPolarHBondContact O-CA 3.47Å; F310-F358 HydrophobicContact CD2-CB 4.47Å; F310-F358 HydrophobicContact CE2-CB 3.89Å; F310-F358 AromaticContact CE2-CD1 3.72Å; F310-F358 HydrophobicContact CE2-CD1 3.72Å; F310-F358 AromaticContact CE2-CD2 3.88Å; F310-F358 HydrophobicContact CE2-CD2 3.88Å; F310-F358 HydrophobicContact CE2-CE1 4.15Å; F310-F358 HydrophobicContact CE2-CE2 4.3Å; F310-F358 AromaticContact CE2-CG 3.57Å; F310-F358 HydrophobicContact CE2-CG 3.57Å; F310-F358 HydrophobicContact CE2-CZ 4.42Å; F310-F358 HydrophobicContact CZ-CD1 4.2Å; F310-F358 HydrophobicContact CZ-CD2 4.26Å; F310-F358 HydrophobicContact CZ-CE1 4.15Å; F310-F358 HydrophobicContact CZ-CE2 4.22Å; F310-F358 HydrophobicContact CZ-CG 4.25Å; F310-F358 HydrophobicContact CZ-CZ 4.16Å; W349-F358 HydrophobicContact CB-CE2 4.17Å; W349-F358 HydrophobicContact CG-CE2 4.21Å; Y352-F358 HydrophobicContact CD2-CD1 4.35Å; Y352-F358 HydrophobicContact CD2-CD2 4.21Å; Y352-F358 AromaticContact CD2-CE1 3.95Å; Y352-F358 HydrophobicContact CD2-CE1 3.95Å; Y352-F358 AromaticContact CD2-CE2 3.79Å; Y352-F358 HydrophobicContact CD2-CE2 3.79Å; Y352-F358 HydrophobicContact CD2-CG 4.47Å; Y352-F358 AromaticContact CD2-CZ 3.67Å; Y352-F358 HydrophobicContact CD2-CZ 3.67Å; Y352-F358 HydrophobicContact CE2-CZ 4.33Å; Y352-F358 PolarHBondContact O-N 3.34Å; L353-F358 HydrophobicContact CD2-CB 3.74Å; L353-F358 HydrophobicContact CG-CB 4.11Å
359	E	98.3	Very high	97.6	Very high	59 Å²	59	44 Å²	44	28%	0.276	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	122.7	174.4	175.8	175.5	-152.4	0	0	108.9	I308 R309 F310 K361	I308-E359 PolarHBondContact O-N 3.19Å; R309-E359 CarbonylContact C-O 3.45Å; R309-E359 VanDerWaalsContact CA-O 3.28Å; R309-E359 WeakPolarHBondContact CA-O 2.89Å; R309-E359 VanDerWaalsContact CD-OE2 3.25Å; R309-E359 WeakPolarHBondContact CD-OE2 3.48Å; R309-E359 HydrophobicContact CG-CB 4.01Å; R309-E359 HydrophobicContact CG-CG 4.26Å; R309-E359 VanDerWaalsContact CG-OE2 3.27Å; R309-E359 WeakPolarHBondContact CG-OE2 3.48Å; F310-E359 PolarHBondContact N-O 3.21Å; E359-K361 HydrophobicContact CG-CD 4.17Å; E359-K361 HydrophobicContact CG-CG 4.28Å; E359-K361 WeakPolarHBondContact OE1-CE 3.49Å; E359-K361 IonicContact OE1-NZ 3.49Å; E359-K361 PolarHBondContact OE1-NZ 3.32Å
360	L	98.6	Very high	97.5	Very high	48 Å²	48	44.4 Å²	44.4	25%	0.251	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	118.4	178.4	-178.5	62.4	0	0	0	109.7	F310 A312 A324 F327	F310-L360 HydrophobicContact CB-CD1 3.91Å; A312-L360 HydrophobicContact CB-CD1 4Å; A324-L360 HydrophobicContact CB-CD2 3.76Å; A324-L360 HydrophobicContact CB-CG 4.26Å; F327-L360 HydrophobicContact CB-CD1 4.25Å; F327-L360 HydrophobicContact CB-CD2 3.91Å; F327-L360 HydrophobicContact CD1-CD1 4.36Å; F327-L360 HydrophobicContact CD1-CD2 3.83Å; F327-L360 HydrophobicContact CD2-CD1 4Å; F327-L360 HydrophobicContact CE2-CD1 4.49Å; F327-L360 HydrophobicContact CG-CD1 3.95Å; F327-L360 HydrophobicContact CG-CD2 3.94Å
361	K	98.2	Very high	97.4	Very high	58 Å²	58	44.7 Å²	44.7	25%	0.252	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	152.6	178.7	-63.3	-65.2	-157	-172.1	0	110.8	F310 A312 E359 E385	F310-K361 PolarHBondContact O-N 3.01Å; A312-K361 PolarHBondContact N-O 3.38Å; E359-K361 HydrophobicContact CG-CD 4.17Å; E359-K361 HydrophobicContact CG-CG 4.28Å; E359-K361 WeakPolarHBondContact OE1-CE 3.49Å; E359-K361 IonicContact OE1-NZ 3.49Å; E359-K361 PolarHBondContact OE1-NZ 3.32Å; K361-E385 WeakPolarHBondContact CE-OE2 3.13Å; K361-E385 IonicContact NZ-OE2 2.87Å
362	T	97.5	Very high	97.4	Very high	75 Å²	75	40.5 Å²	40.5	46%	0.46	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	147.7	165.6	58.1	0	0	0	0	108.6	A312 A324	A312-T362 HydrophobicContact CB-CG2 4.21Å; A324-T362 HydrophobicContact CB-CG2 3.85Å
363	H	97.3	Very high	97.4	Very high	52 Å²	52	42.3 Å²	42.3	24%	0.241	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	138.7	176.2	-161.5	-95.5	0	0	0	109.9	F365 W366 E381 L382	H363-F365 WeakPolarHBondContact ND1-CB 3.42Å; H363-F365 PolarHBondContact ND1-N 3.42Å; H363-F365 VanDerWaalsContact ND1-N 3.2Å; H363-F365 PolarHBondContact O-N 2.86Å; H363-W366 HydrophobicContact CB-CG 4.47Å; H363-W366 WeakPolarHBondContact O-CB 3.34Å; H363-W366 PolarHBondContact O-N 3.17Å; H363-W366 VanDerWaalsContact O-N 3.1Å; H363-E381 IonicContact CE1-OE1 2.82Å; H363-E381 PolarHBondContact CE1-OE1 3.11Å; H363-E381 IonicContact NE2-OE1 3.2Å; H363-E381 PolarHBondContact NE2-OE1 2.84Å; H363-E381 VanDerWaalsContact NE2-OE1 3.15Å; H363-L382 HydrophobicContact CB-CD1 4.43Å; H363-L382 HydrophobicContact CB-CD2 4.2Å
364	L	95.1	Very high	97.4	Very high	48 Å²	48	43.3 Å²	43.3	25%	0.251	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-63.6	-23.3	-178.2	-69.2	168.5	0	0	0	112.7	P94 D95 A314 W366 T367 S368	P94-L364 HydrophobicContact CB-CD1 4.26Å; D95-L364 HydrophobicContact CB-CB 4.11Å; D95-L364 HydrophobicContact CB-CD1 4.09Å; D95-L364 HydrophobicContact CB-CD2 4.13Å; D95-L364 HydrophobicContact CB-CG 4.33Å; A314-L364 HydrophobicContact CB-CD2 3.98Å; L364-W366 VanDerWaalsContact C-N 3.27Å; L364-W366 PolarHBondContact O-N 2.85Å; L364-T367 CarbonylContact O-C 3.55Å; L364-T367 PolarHBondContact O-N 3.3Å; L364-T367 PolarHBondContact O-OG1 3.06Å; L364-S368 PolarHBondContact O-N 3.42Å
365	F	97.2	Very high	97.4	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.009	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-60.8	-34.9	174.9	-174.2	-93.4	0	0	0	112.7	H363 T367 S368 Y372 M375 V378 A379 L382	H363-F365 WeakPolarHBondContact ND1-CB 3.42Å; H363-F365 PolarHBondContact ND1-N 3.42Å; H363-F365 VanDerWaalsContact ND1-N 3.2Å; H363-F365 PolarHBondContact O-N 2.86Å; F365-T367 PolarHBondContact O-N 3.35Å; F365-S368 WeakPolarHBondContact O-CB 3.44Å; F365-S368 PolarHBondContact O-N 2.74Å; F365-S368 PolarHBondContact O-OG 3.42Å; F365-Y372 AromaticContact CE1-CD1 3.76Å; F365-Y372 HydrophobicContact CE1-CD1 3.76Å; F365-Y372 HydrophobicContact CE1-CE1 4.24Å; F365-Y372 HydrophobicContact CZ-CD1 4.44Å; F365-M375 HydrophobicContact CD1-CE 3.67Å; F365-M375 HydrophobicContact CD1-CG 4.01Å; F365-M375 HydrophobicContact CD2-CG 4.48Å; F365-M375 HydrophobicContact CE1-CB 3.74Å; F365-M375 HydrophobicContact CE1-CE 3.35Å; F365-M375 HydrophobicContact CE1-CG 3.71Å; F365-M375 HydrophobicContact CE1-SD 4.35Å; F365-M375 HydrophobicContact CE2-CB 4.04Å; F365-M375 HydrophobicContact CE2-CG 4.23Å; F365-M375 HydrophobicContact CG-CG 4.39Å; F365-M375 VanDerWaalsContact CZ-CA 3.5Å; F365-M375 HydrophobicContact CZ-CB 3.47Å; F365-M375 VanDerWaalsContact CZ-CB 3.47Å; F365-M375 HydrophobicContact CZ-CE 4.3Å; F365-M375 HydrophobicContact CZ-CG 3.85Å; F365-V378 HydrophobicContact CD2-CB 4.34Å; F365-V378 HydrophobicContact CD2-CG1 4.08Å; F365-V378 HydrophobicContact CE2-CB 4.11Å; F365-V378 HydrophobicContact CE2-CG1 4.2Å; F365-A379 HydrophobicContact CB-CB 3.92Å; F365-A379 HydrophobicContact CD2-CB 3.72Å; F365-A379 HydrophobicContact CG-CB 3.95Å; F365-L382 HydrophobicContact CB-CD2 3.78Å; F365-L382 HydrophobicContact CD1-CD2 3.86Å; F365-L382 HydrophobicContact CG-CD2 4.09Å
366	W	97.8	Very high	97.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-63.7	-25.8	179.6	-60.5	131.5	0	0	0	112.7	V281 H311 K313 H363 L364 Y372 M375 L382 L386 F394	V281-W366 HydrophobicContact CG1-CD2 4.32Å; V281-W366 HydrophobicContact CG1-CE3 3.9Å; V281-W366 HydrophobicContact CG1-CH2 4.04Å; V281-W366 HydrophobicContact CG1-CZ2 4.43Å; V281-W366 HydrophobicContact CG1-CZ3 3.77Å; V281-W366 HydrophobicContact CG2-CH2 3.61Å; V281-W366 HydrophobicContact CG2-CZ2 3.98Å; V281-W366 HydrophobicContact CG2-CZ3 4.13Å; H311-W366 HydrophobicContact CB-CZ2 3.99Å; H311-W366 AromaticContact CG-CE2 3.84Å; H311-W366 AromaticContact CG-CZ2 3.72Å; H311-W366 AromaticContact CG-NE1 3.57Å; H311-W366 AromaticContact ND1-CE2 3.59Å; H311-W366 AromaticContact ND1-CZ2 3.56Å; H311-W366 AromaticContact ND1-NE1 3.07Å; H311-W366 PolarHBondContact ND1-NE1 2.9Å; K313-W366 HydrophobicContact CD-CB 4.23Å; H363-W366 HydrophobicContact CB-CG 4.47Å; H363-W366 WeakPolarHBondContact O-CB 3.34Å; H363-W366 PolarHBondContact O-N 3.17Å; H363-W366 VanDerWaalsContact O-N 3.1Å; L364-W366 VanDerWaalsContact C-N 3.27Å; L364-W366 PolarHBondContact O-N 2.85Å; W366-Y372 AromaticContact CE3-CE1 3.87Å; W366-Y372 HydrophobicContact CE3-CE1 3.87Å; W366-Y372 HydrophobicContact CZ3-CD1 4.35Å; W366-Y372 AromaticContact CZ3-CE1 3.61Å; W366-Y372 HydrophobicContact CZ3-CE1 3.61Å; W366-Y372 AromaticContact CZ3-CZ 3.81Å; W366-M375 HydrophobicContact CH2-CE 3.68Å; W366-M375 HydrophobicContact CZ3-CE 3.71Å; W366-L382 HydrophobicContact CD2-CD2 4.32Å; W366-L382 HydrophobicContact CH2-CD2 4.26Å; W366-L382 HydrophobicContact CZ2-CD1 3.95Å; W366-L382 HydrophobicContact CZ2-CD2 3.78Å; W366-L382 HydrophobicContact CZ2-CG 4.26Å; W366-L386 HydrophobicContact CH2-CD1 3.83Å; W366-L386 HydrophobicContact CZ2-CD1 4.17Å; W366-F394 HydrophobicContact CH2-CE1 4.27Å; W366-F394 HydrophobicContact CZ3-CE1 4.15Å
367	T	97	Very high	97.4	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.012	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-108.3	24.5	175.2	57.3	0	0	0	0	112.3	W99 K313 L315 Y317 L364 F365	W99-T367 VanDerWaalsContact CZ2-O 3.23Å; W99-T367 WeakPolarHBondContact CZ2-O 3.44Å; K313-T367 HydrophobicContact CB-CG2 3.72Å; K313-T367 HydrophobicContact CD-CG2 4.41Å; K313-T367 HydrophobicContact CG-CG2 4.41Å; L315-T367 HydrophobicContact CB-CG2 4.37Å; Y317-T367 HydrophobicContact CD1-CG2 4Å; Y317-T367 HydrophobicContact CD2-CG2 4.3Å; Y317-T367 HydrophobicContact CG-CG2 3.77Å; L364-T367 CarbonylContact O-C 3.55Å; L364-T367 PolarHBondContact O-N 3.3Å; L364-T367 PolarHBondContact O-OG1 3.06Å; F365-T367 PolarHBondContact O-N 3.35Å
368	S	96.4	Very high	97.3	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.007	18%	0.182	C	C	.	.	S	Bend	trans	-94.8	166.4	178.4	82.4	0	0	0	0	111.9	L364 F365 Y370 K402	L364-S368 PolarHBondContact O-N 3.42Å; F365-S368 WeakPolarHBondContact O-CB 3.44Å; F365-S368 PolarHBondContact O-N 2.74Å; F365-S368 PolarHBondContact O-OG 3.42Å; S368-Y370 PolarHBondContact O-N 2.87Å; S368-Y370 PolarHBondContact OG-N 3.21Å; S368-K402 PolarHBondContact O-NZ 3.49Å
369	P	95.5	Very high	97.2	Very high	5 Å²	5	34.6 Å²	34.6	3%	0.032	18%	0.182	C	C	.	.	S	Bend	trans	-75.7	-10	177.6	27.9	-29.3	0	0	0	113.4	W99 C102 L129	W99-P369 HydrophobicContact CD2-CG 4Å; W99-P369 HydrophobicContact CE3-CB 3.83Å; W99-P369 HydrophobicContact CE3-CG 3.64Å; W99-P369 HydrophobicContact CH2-CB 3.82Å; W99-P369 HydrophobicContact CH2-CG 4.24Å; W99-P369 HydrophobicContact CZ3-CB 3.43Å; W99-P369 VanDerWaalsContact CZ3-CB 3.43Å; W99-P369 HydrophobicContact CZ3-CG 3.79Å; C102-P369 HydrophobicContact CB-CG 3.68Å; L129-P369 HydrophobicContact CD1-CB 3.53Å; L129-P369 HydrophobicContact CD1-CG 4.35Å
370	Y	96.9	Very high	97.2	Very high	8 Å²	8	33.9 Å²	33.9	3%	0.031	19%	0.186	C	C	.	.			trans	-80.6	144.1	-167.3	-72.1	-76.4	0	0	0	112.1	I98 C102 S368 R374 V378 K402	I98-Y370 HydrophobicContact CG2-CD2 3.8Å; I98-Y370 HydrophobicContact CG2-CE2 3.46Å; I98-Y370 VanDerWaalsContact CG2-CE2 3.46Å; C102-Y370 WeakPolarHBondContact CA-OH 3.49Å; C102-Y370 HydrophobicContact CB-CE1 4.19Å; C102-Y370 HydrophobicContact CB-CE2 3.93Å; C102-Y370 WeakPolarHBondContact CB-OH 3.19Å; C102-Y370 PolarHBondContact N-OH 3.06Å; S368-Y370 PolarHBondContact O-N 2.87Å; S368-Y370 PolarHBondContact OG-N 3.21Å; Y370-R374 HydrophobicContact CD1-CB 3.95Å; Y370-R374 HydrophobicContact CD1-CG 4.08Å; Y370-R374 HydrophobicContact CG-CB 4.32Å; Y370-V378 HydrophobicContact CD1-CG2 4.27Å; Y370-V378 HydrophobicContact CD2-CB 4.5Å; Y370-V378 HydrophobicContact CD2-CG1 3.9Å; Y370-V378 HydrophobicContact CD2-CG2 4.03Å; Y370-V378 HydrophobicContact CE1-CG2 4.25Å; Y370-V378 HydrophobicContact CE2-CG1 4.03Å; Y370-V378 HydrophobicContact CE2-CG2 4.02Å; Y370-V378 HydrophobicContact CG-CG2 4.15Å; Y370-K402 PolarHBondContact O-NZ 3.44Å
371	P	97.6	Very high	97.2	Very high	19 Å²	19	36.9 Å²	36.9	12%	0.123	20%	0.199	C	C	.	.			trans	-71.1	161.2	162.6	34.6	-38	0	0	0	110.7	L128 H373 R374 K402 A405	L128-P371 HydrophobicContact CD2-CB 4.1Å; P371-H373 VanDerWaalsContact C-N 3.35Å; P371-H373 VanDerWaalsContact CG-CD2 3.48Å; P371-H373 WeakPolarHBondContact CG-CD2 3.19Å; P371-H373 WeakPolarHBondContact CG-NE2 3.34Å; P371-H373 PolarHBondContact O-N 3.48Å; P371-R374 HydrophobicContact CG-CG 3.99Å; P371-R374 WeakPolarHBondContact O-CB 3.4Å; P371-R374 PolarHBondContact O-N 3.11Å; P371-R374 VanDerWaalsContact O-N 3.12Å; P371-K402 WeakPolarHBondContact CA-O 3.2Å; P371-K402 WeakPolarHBondContact CB-O 3.03Å; P371-A405 HydrophobicContact CB-CB 3.33Å; P371-A405 HydrophobicContact CG-CB 3.81Å
372	Y	98.6	Very high	97.2	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-68.7	-29.2	-170.1	-65.3	-24.4	0	0	0	114.3	F365 W366 R374 M375 F394 N399 K402 L403 F422	F365-Y372 AromaticContact CE1-CD1 3.76Å; F365-Y372 HydrophobicContact CE1-CD1 3.76Å; F365-Y372 HydrophobicContact CE1-CE1 4.24Å; F365-Y372 HydrophobicContact CZ-CD1 4.44Å; W366-Y372 AromaticContact CE3-CE1 3.87Å; W366-Y372 HydrophobicContact CE3-CE1 3.87Å; W366-Y372 HydrophobicContact CZ3-CD1 4.35Å; W366-Y372 AromaticContact CZ3-CE1 3.61Å; W366-Y372 HydrophobicContact CZ3-CE1 3.61Å; W366-Y372 AromaticContact CZ3-CZ 3.81Å; Y372-R374 PolarHBondContact O-N 3.28Å; Y372-M375 HydrophobicContact CD1-CE 4.23Å; Y372-M375 WeakPolarHBondContact O-CB 3.08Å; Y372-M375 PolarHBondContact O-N 2.97Å; Y372-F394 HydrophobicContact CD2-CD1 4.15Å; Y372-F394 AromaticContact CD2-CE1 3.71Å; Y372-F394 HydrophobicContact CD2-CE1 3.71Å; Y372-F394 HydrophobicContact CD2-CZ 4.22Å; Y372-F394 AromaticContact CE2-CD1 3.37Å; Y372-F394 HydrophobicContact CE2-CD1 3.37Å; Y372-F394 AromaticContact CE2-CE1 3.25Å; Y372-F394 HydrophobicContact CE2-CE1 3.25Å; Y372-F394 HydrophobicContact CE2-CG 4.35Å; Y372-F394 HydrophobicContact CE2-CZ 4.18Å; Y372-F394 AromaticContact CZ-CD1 3.98Å; Y372-F394 AromaticContact CZ-CE1 3.78Å; Y372-N399 HydrophobicContact CE2-CB 4.32Å; Y372-N399 VanDerWaalsContact CE2-O 3.31Å; Y372-N399 WeakPolarHBondContact CE2-O 3.5Å; Y372-N399 WeakPolarHBondContact OH-CB 3.2Å; Y372-N399 PolarHBondContact OH-OD1 3.21Å; Y372-K402 HydrophobicContact CD1-CB 3.89Å; Y372-K402 HydrophobicContact CD1-CD 4.44Å; Y372-K402 HydrophobicContact CD2-CB 4.01Å; Y372-K402 HydrophobicContact CE1-CB 3.67Å; Y372-K402 HydrophobicContact CE1-CD 3.66Å; Y372-K402 HydrophobicContact CE1-CG 4.23Å; Y372-K402 HydrophobicContact CE2-CB 3.73Å; Y372-K402 HydrophobicContact CG-CB 4.1Å; Y372-K402 PolarHBondContact N-O 3.26Å; Y372-L403 HydrophobicContact CD2-CB 4.39Å; Y372-L403 HydrophobicContact CD2-CD2 3.59Å; Y372-L403 HydrophobicContact CD2-CG 3.67Å; Y372-L403 HydrophobicContact CE2-CD2 4.24Å; Y372-L403 HydrophobicContact CE2-CG 3.98Å; Y372-F422 HydrophobicContact CD2-CE1 4.26Å; Y372-F422 HydrophobicContact CG-CE1 4.39Å; Y372-F422 HydrophobicContact CG-CZ 4.39Å; Y372-F422 WeakPolarHBondContact O-CD2 3.16Å; Y372-F422 WeakPolarHBondContact O-CE2 3.43Å
373	H	98	Very high	97.2	Very high	61 Å²	61	32.4 Å²	32.4	28%	0.282	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-61.2	-17	174.6	74.5	93.8	0	0	0	113.6	P371 Q420 F422	P371-H373 VanDerWaalsContact C-N 3.35Å; P371-H373 VanDerWaalsContact CG-CD2 3.48Å; P371-H373 WeakPolarHBondContact CG-CD2 3.19Å; P371-H373 WeakPolarHBondContact CG-NE2 3.34Å; P371-H373 PolarHBondContact O-N 3.48Å; H373-Q420 HydrophobicContact CB-CB 3.98Å; H373-Q420 WeakPolarHBondContact CB-O 3.35Å; H373-F422 HydrophobicContact CB-CB 4.12Å
374	R	97.4	Very high	97.3	Very high	78 Å²	78	35.2 Å²	35.2	29%	0.294	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-86.6	-8.3	173	-63.8	-68.7	-65.9	-95.3	-3.6	113.6	E105 Y370 P371 Y372 N376 S377 V378	E105-R374 IonicContact OE2-NH2 3.38Å; E105-R374 PolarHBondContact OE2-NH2 3.22Å; Y370-R374 HydrophobicContact CD1-CB 3.95Å; Y370-R374 HydrophobicContact CD1-CG 4.08Å; Y370-R374 HydrophobicContact CG-CB 4.32Å; P371-R374 HydrophobicContact CG-CG 3.99Å; P371-R374 WeakPolarHBondContact O-CB 3.4Å; P371-R374 PolarHBondContact O-N 3.11Å; P371-R374 VanDerWaalsContact O-N 3.12Å; Y372-R374 PolarHBondContact O-N 3.28Å; R374-N376 PolarHBondContact O-N 2.73Å; R374-S377 PolarHBondContact O-N 3.33Å; R374-S377 PolarHBondContact O-OG 2.91Å; R374-V378 HydrophobicContact CB-CG2 4.4Å; R374-V378 PolarHBondContact O-N 3.29Å; R374-V378 VanDerWaalsContact O-N 3.1Å
375	M	98.3	Very high	97.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-55.8	-46.4	-174.4	-172.1	-171.4	-71.2	0	0	112.5	F365 W366 Y372 S377 V378 A379 L382 Y383 L386 F422	F365-M375 HydrophobicContact CD1-CE 3.67Å; F365-M375 HydrophobicContact CD1-CG 4.01Å; F365-M375 HydrophobicContact CD2-CG 4.48Å; F365-M375 HydrophobicContact CE1-CB 3.74Å; F365-M375 HydrophobicContact CE1-CE 3.35Å; F365-M375 HydrophobicContact CE1-CG 3.71Å; F365-M375 HydrophobicContact CE1-SD 4.35Å; F365-M375 HydrophobicContact CE2-CB 4.04Å; F365-M375 HydrophobicContact CE2-CG 4.23Å; F365-M375 HydrophobicContact CG-CG 4.39Å; F365-M375 VanDerWaalsContact CZ-CA 3.5Å; F365-M375 HydrophobicContact CZ-CB 3.47Å; F365-M375 VanDerWaalsContact CZ-CB 3.47Å; F365-M375 HydrophobicContact CZ-CE 4.3Å; F365-M375 HydrophobicContact CZ-CG 3.85Å; W366-M375 HydrophobicContact CH2-CE 3.68Å; W366-M375 HydrophobicContact CZ3-CE 3.71Å; Y372-M375 HydrophobicContact CD1-CE 4.23Å; Y372-M375 WeakPolarHBondContact O-CB 3.08Å; Y372-M375 PolarHBondContact O-N 2.97Å; M375-S377 PolarHBondContact O-N 2.93Å; M375-S377 VanDerWaalsContact O-N 3.09Å; M375-V378 PolarHBondContact O-N 3.47Å; M375-V378 VanDerWaalsContact O-N 3.13Å; M375-A379 HydrophobicContact CG-CB 4.38Å; M375-A379 CarbonylContact O-C 3.59Å; M375-A379 WeakPolarHBondContact O-CA 3.48Å; M375-A379 PolarHBondContact O-N 3.43Å; M375-L382 HydrophobicContact CE-CD2 3.99Å; M375-L382 HydrophobicContact CE-CG 4.46Å; M375-L382 HydrophobicContact CG-CD2 4.36Å; M375-L382 HydrophobicContact SD-CB 4.45Å; M375-L382 HydrophobicContact SD-CD2 3.96Å; M375-L382 HydrophobicContact SD-CG 3.9Å; M375-Y383 HydrophobicContact CB-CD2 4.22Å; M375-Y383 HydrophobicContact CG-CD2 4.37Å; M375-Y383 HydrophobicContact SD-CD2 4.2Å; M375-L386 HydrophobicContact CE-CD1 3.81Å; M375-L386 HydrophobicContact SD-CD1 3.6Å; M375-F422 HydrophobicContact CB-CE2 4.12Å; M375-F422 HydrophobicContact CE-CE2 3.94Å; M375-F422 HydrophobicContact CE-CZ 3.91Å; M375-F422 HydrophobicContact SD-CE2 3.94Å; M375-F422 HydrophobicContact SD-CZ 4.29Å
376	N	97.6	Very high	97.5	Very high	84 Å²	84	35.6 Å²	35.6	45%	0.449	19%	0.186	S	C	.	.	H	α-helix	trans	-59.4	-27.1	179.7	-168.8	38.6	0	0	0	113.2	R374 A380 Y383	R374-N376 PolarHBondContact O-N 2.73Å; N376-A380 WeakPolarHBondContact O-CB 2.92Å; N376-Y383 HydrophobicContact CB-CD1 4.15Å; N376-Y383 HydrophobicContact CB-CD2 3.81Å; N376-Y383 HydrophobicContact CB-CE1 4.46Å; N376-Y383 HydrophobicContact CB-CE2 4.13Å; N376-Y383 HydrophobicContact CB-CG 3.81Å
377	S	96.6	Very high	97.5	Very high	85 Å²	85	37.1 Å²	37.1	59%	0.594	20%	0.199	S	C	*	.	H	α-helix	trans	-89.8	-25.4	178.7	67.2	0	0	0	0	114.4	R374 M375	R374-S377 PolarHBondContact O-N 3.33Å; R374-S377 PolarHBondContact O-OG 2.91Å; M375-S377 PolarHBondContact O-N 2.93Å; M375-S377 VanDerWaalsContact O-N 3.09Å
378	V	95.3	Very high	97.4	Very high	40 Å²	40	41 Å²	41	24%	0.242	22%	0.222	C	C	.	.	H	α-helix	trans	-106.3	-30.4	-172.1	176.4	0	0	0	0	112.3	I98 F365 Y370 R374 M375	I98-V378 HydrophobicContact CD1-CG1 4.34Å; I98-V378 HydrophobicContact CG2-CG1 3.92Å; F365-V378 HydrophobicContact CD2-CB 4.34Å; F365-V378 HydrophobicContact CD2-CG1 4.08Å; F365-V378 HydrophobicContact CE2-CB 4.11Å; F365-V378 HydrophobicContact CE2-CG1 4.2Å; Y370-V378 HydrophobicContact CD1-CG2 4.27Å; Y370-V378 HydrophobicContact CD2-CB 4.5Å; Y370-V378 HydrophobicContact CD2-CG1 3.9Å; Y370-V378 HydrophobicContact CD2-CG2 4.03Å; Y370-V378 HydrophobicContact CE1-CG2 4.25Å; Y370-V378 HydrophobicContact CE2-CG1 4.03Å; Y370-V378 HydrophobicContact CE2-CG2 4.02Å; Y370-V378 HydrophobicContact CG-CG2 4.15Å; R374-V378 HydrophobicContact CB-CG2 4.4Å; R374-V378 PolarHBondContact O-N 3.29Å; R374-V378 VanDerWaalsContact O-N 3.1Å; M375-V378 PolarHBondContact O-N 3.47Å; M375-V378 VanDerWaalsContact O-N 3.13Å
379	A	97	Very high	97.5	Very high	2 Å²	2	41.2 Å²	41.2	2%	0.017	22%	0.224	C	C	.	.			trans	-147.2	62.4	-175.4	0	0	0	0	0	108.8	F365 M375 E381 L382 Y383	F365-A379 HydrophobicContact CB-CB 3.92Å; F365-A379 HydrophobicContact CD2-CB 3.72Å; F365-A379 HydrophobicContact CG-CB 3.95Å; M375-A379 HydrophobicContact CG-CB 4.38Å; M375-A379 CarbonylContact O-C 3.59Å; M375-A379 WeakPolarHBondContact O-CA 3.48Å; M375-A379 PolarHBondContact O-N 3.43Å; A379-E381 VanDerWaalsContact C-OE2 3.31Å; A379-E381 VanDerWaalsContact CA-OE1 3.23Å; A379-E381 WeakPolarHBondContact CA-OE1 3.46Å; A379-E381 WeakPolarHBondContact CB-OE1 3.49Å; A379-E381 PolarHBondContact O-N 2.86Å; A379-L382 HydrophobicContact CB-CB 4.12Å; A379-L382 PolarHBondContact O-N 3.18Å; A379-L382 VanDerWaalsContact O-N 3.11Å; A379-Y383 PolarHBondContact O-N 3.18Å
380	A	97.9	Very high	97.5	Very high	43 Å²	43	42 Å²	42	36%	0.355	23%	0.228	S	C	.	.	H	α-helix	trans	-57.4	-37.8	-175.4	0	0	0	0	0	111.4	N376 L382 Y383 Q384	N376-A380 WeakPolarHBondContact O-CB 2.92Å; A380-L382 PolarHBondContact O-N 3.15Å; A380-Y383 WeakPolarHBondContact O-CB 3.32Å; A380-Y383 PolarHBondContact O-N 3.2Å; A380-Q384 VanDerWaalsContact O-CG 3.32Å; A380-Q384 WeakPolarHBondContact O-CG 3.31Å; A380-Q384 PolarHBondContact O-N 3.15Å
381	E	98	Very high	97.6	Very high	112 Å²	112	41.7 Å²	41.7	52%	0.523	23%	0.227	S	C	.	.	H	α-helix	trans	-58.1	-44.4	175.4	69.7	-62.7	152	0	0	112.8	H363 A379 Q384 E385	H363-E381 IonicContact CE1-OE1 2.82Å; H363-E381 PolarHBondContact CE1-OE1 3.11Å; H363-E381 IonicContact NE2-OE1 3.2Å; H363-E381 PolarHBondContact NE2-OE1 2.84Å; H363-E381 VanDerWaalsContact NE2-OE1 3.15Å; A379-E381 VanDerWaalsContact C-OE2 3.31Å; A379-E381 VanDerWaalsContact CA-OE1 3.23Å; A379-E381 WeakPolarHBondContact CA-OE1 3.46Å; A379-E381 WeakPolarHBondContact CB-OE1 3.49Å; A379-E381 PolarHBondContact O-N 2.86Å; E381-Q384 PolarHBondContact O-N 3.13Å; E381-E385 WeakPolarHBondContact O-CB 3.41Å; E381-E385 PolarHBondContact O-N 3.05Å
382	L	98.4	Very high	97.7	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.01	22%	0.221	C	C	.	.	H	α-helix	trans	-67.3	-41.2	175.4	177.9	63.8	0	0	0	110.9	H363 F365 W366 M375 A379 A380 Q384 E385 L386	H363-L382 HydrophobicContact CB-CD1 4.43Å; H363-L382 HydrophobicContact CB-CD2 4.2Å; F365-L382 HydrophobicContact CB-CD2 3.78Å; F365-L382 HydrophobicContact CD1-CD2 3.86Å; F365-L382 HydrophobicContact CG-CD2 4.09Å; W366-L382 HydrophobicContact CD2-CD2 4.32Å; W366-L382 HydrophobicContact CH2-CD2 4.26Å; W366-L382 HydrophobicContact CZ2-CD1 3.95Å; W366-L382 HydrophobicContact CZ2-CD2 3.78Å; W366-L382 HydrophobicContact CZ2-CG 4.26Å; M375-L382 HydrophobicContact CE-CD2 3.99Å; M375-L382 HydrophobicContact CE-CG 4.46Å; M375-L382 HydrophobicContact CG-CD2 4.36Å; M375-L382 HydrophobicContact SD-CB 4.45Å; M375-L382 HydrophobicContact SD-CD2 3.96Å; M375-L382 HydrophobicContact SD-CG 3.9Å; A379-L382 HydrophobicContact CB-CB 4.12Å; A379-L382 PolarHBondContact O-N 3.18Å; A379-L382 VanDerWaalsContact O-N 3.11Å; A380-L382 PolarHBondContact O-N 3.15Å; L382-Q384 VanDerWaalsContact C-N 3.32Å; L382-Q384 PolarHBondContact O-N 3.02Å; L382-E385 PolarHBondContact O-N 3.28Å; L382-L386 HydrophobicContact CD1-CG 4.33Å; L382-L386 HydrophobicContact CG-CD1 4.33Å; L382-L386 WeakPolarHBondContact O-CG 3.46Å; L382-L386 PolarHBondContact O-N 2.96Å
383	Y	98.6	Very high	97.7	Very high	37 Å²	37	40.8 Å²	40.8	15%	0.145	22%	0.221	C	C	.	.	H	α-helix	trans	-60.4	-43.2	176.8	-170.3	-85.5	0	0	0	111.6	M375 N376 A379 A380 L386 A387 F422 P424	M375-Y383 HydrophobicContact CB-CD2 4.22Å; M375-Y383 HydrophobicContact CG-CD2 4.37Å; M375-Y383 HydrophobicContact SD-CD2 4.2Å; N376-Y383 HydrophobicContact CB-CD1 4.15Å; N376-Y383 HydrophobicContact CB-CD2 3.81Å; N376-Y383 HydrophobicContact CB-CE1 4.46Å; N376-Y383 HydrophobicContact CB-CE2 4.13Å; N376-Y383 HydrophobicContact CB-CG 3.81Å; A379-Y383 PolarHBondContact O-N 3.18Å; A380-Y383 WeakPolarHBondContact O-CB 3.32Å; A380-Y383 PolarHBondContact O-N 3.2Å; Y383-L386 PolarHBondContact O-N 3.15Å; Y383-A387 WeakPolarHBondContact O-CB 3.49Å; Y383-A387 PolarHBondContact O-N 3.15Å; Y383-F422 HydrophobicContact CD2-CD2 4.4Å; Y383-F422 HydrophobicContact CD2-CE2 4.01Å; Y383-F422 AromaticContact CE2-CD2 3.94Å; Y383-F422 HydrophobicContact CE2-CD2 3.94Å; Y383-F422 AromaticContact CE2-CE2 3.93Å; Y383-F422 HydrophobicContact CE2-CE2 3.93Å; Y383-P424 HydrophobicContact CD1-CB 4.33Å; Y383-P424 HydrophobicContact CD2-CB 4.07Å; Y383-P424 HydrophobicContact CD2-CG 4.43Å; Y383-P424 HydrophobicContact CE1-CB 4.02Å; Y383-P424 HydrophobicContact CE2-CB 3.76Å; Y383-P424 HydrophobicContact CE2-CG 4.07Å; Y383-P424 HydrophobicContact CG-CB 4.35Å
384	Q	98.3	Very high	97.7	Very high	111 Å²	111	38 Å²	38	52%	0.519	21%	0.208	S	C	.	.	H	α-helix	trans	-66.9	-38.4	175.6	-65.3	-50.4	-45.3	0	0	111.9	A380 E381 L382 A387 T388	A380-Q384 VanDerWaalsContact O-CG 3.32Å; A380-Q384 WeakPolarHBondContact O-CG 3.31Å; A380-Q384 PolarHBondContact O-N 3.15Å; E381-Q384 PolarHBondContact O-N 3.13Å; L382-Q384 VanDerWaalsContact C-N 3.32Å; L382-Q384 PolarHBondContact O-N 3.02Å; Q384-A387 WeakPolarHBondContact O-CB 3.4Å; Q384-A387 PolarHBondContact O-N 3.34Å; Q384-T388 PolarHBondContact O-N 3.37Å
385	E	98.1	Very high	97.7	Very high	58 Å²	58	34.3 Å²	34.3	27%	0.271	19%	0.194	S	C	.	.	H	α-helix	trans	-60.1	-46.9	174.9	-174.3	175.3	71.1	0	0	111.4	R309 H311 K361 E381 L382 A387 T388	R309-E385 IonicContact NH1-OE2 2.94Å; R309-E385 PolarHBondContact NH2-O 3.13Å; H311-E385 IonicContact CE1-OE1 2.67Å; K361-E385 WeakPolarHBondContact CE-OE2 3.13Å; K361-E385 IonicContact NZ-OE2 2.87Å; E381-E385 WeakPolarHBondContact O-CB 3.41Å; E381-E385 PolarHBondContact O-N 3.05Å; L382-E385 PolarHBondContact O-N 3.28Å; E385-A387 VanDerWaalsContact C-N 3.27Å; E385-A387 PolarHBondContact O-N 3.31Å; E385-T388 WeakPolarHBondContact O-CB 3.29Å; E385-T388 PolarHBondContact O-N 2.93Å; E385-T388 VanDerWaalsContact O-N 3.17Å; E385-T388 PolarHBondContact O-OG1 3.27Å
386	L	98.4	Very high	97.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-66.5	-26.6	175.5	-68.7	178.6	0	0	0	113.1	D279 W366 M375 L382 Y383 T388 S389 I392 P424	D279-L386 HydrophobicContact CB-CD2 4.08Å; W366-L386 HydrophobicContact CH2-CD1 3.83Å; W366-L386 HydrophobicContact CZ2-CD1 4.17Å; M375-L386 HydrophobicContact CE-CD1 3.81Å; M375-L386 HydrophobicContact SD-CD1 3.6Å; L382-L386 HydrophobicContact CD1-CG 4.33Å; L382-L386 HydrophobicContact CG-CD1 4.33Å; L382-L386 WeakPolarHBondContact O-CG 3.46Å; L382-L386 PolarHBondContact O-N 2.96Å; Y383-L386 PolarHBondContact O-N 3.15Å; L386-T388 PolarHBondContact O-N 3.1Å; L386-S389 WeakPolarHBondContact O-CB 3.48Å; L386-S389 PolarHBondContact O-N 3.46Å; L386-S389 PolarHBondContact O-OG 3.3Å; L386-I392 HydrophobicContact CB-CD1 3.82Å; L386-I392 HydrophobicContact CD2-CD1 4.26Å; L386-I392 HydrophobicContact CD2-CG1 4.41Å; L386-I392 HydrophobicContact CD2-CG2 4.43Å; L386-I392 HydrophobicContact CG-CD1 4.42Å; L386-P424 HydrophobicContact CB-CB 4.02Å; L386-P424 HydrophobicContact CB-CG 4.22Å
387	A	97.4	Very high	97.4	Very high	32 Å²	32	31.1 Å²	31.1	26%	0.264	18%	0.177	S	C	.	.	H	α-helix	trans	-70.6	-15.1	175.3	0	0	0	0	0	113.3	Y383 Q384 E385 S389 P424	Y383-A387 WeakPolarHBondContact O-CB 3.49Å; Y383-A387 PolarHBondContact O-N 3.15Å; Q384-A387 WeakPolarHBondContact O-CB 3.4Å; Q384-A387 PolarHBondContact O-N 3.34Å; E385-A387 VanDerWaalsContact C-N 3.27Å; E385-A387 PolarHBondContact O-N 3.31Å; A387-S389 VanDerWaalsContact C-N 3.32Å; A387-P424 WeakPolarHBondContact CA-O 3.33Å; A387-P424 HydrophobicContact CB-CB 4.45Å
388	T	96.2	Very high	97.4	Very high	82 Å²	82	27.4 Å²	27.4	50%	0.503	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-11.5	173.5	69.1	0	0	0	0	113.7	R309 Q384 E385 L386	R309-T388 PolarHBondContact NH2-OG1 2.76Å; Q384-T388 PolarHBondContact O-N 3.37Å; E385-T388 WeakPolarHBondContact O-CB 3.29Å; E385-T388 PolarHBondContact O-N 2.93Å; E385-T388 VanDerWaalsContact O-N 3.17Å; E385-T388 PolarHBondContact O-OG1 3.27Å; L386-T388 PolarHBondContact O-N 3.1Å
389	S	97.1	Very high	97.6	Very high	6 Å²	6	25.5 Å²	25.5	4%	0.042	14%	0.139	C	C	.	.			trans	-78.4	150.8	-179.5	-39.6	0	0	0	0	111.4	C277 D279 R309 L386 A387 S425	C277-S389 CarbonylContact O-C 3.5Å; C277-S389 WeakPolarHBondContact O-CA 3.5Å; D279-S389 VanDerWaalsContact CG-OG 3.32Å; D279-S389 VanDerWaalsContact OD2-CB 3.26Å; D279-S389 WeakPolarHBondContact OD2-CB 3.5Å; D279-S389 PolarHBondContact OD2-OG 2.98Å; R309-S389 PolarHBondContact NH2-OG 2.88Å; L386-S389 WeakPolarHBondContact O-CB 3.48Å; L386-S389 PolarHBondContact O-N 3.46Å; L386-S389 PolarHBondContact O-OG 3.3Å; A387-S389 VanDerWaalsContact C-N 3.32Å; S389-S425 WeakPolarHBondContact O-CB 3.39Å; S389-S425 PolarHBondContact O-OG 3.01Å
390	D	96.8	Very high	97.6	Very high	23 Å²	23	25.4 Å²	25.4	12%	0.123	14%	0.139	C	C	.	.	S	Bend	trans	-84.4	-25.9	170	-62.5	-79.4	0	0	0	112.2	I266 K269 T276 C277	I266-D390 HydrophobicContact CD1-CB 3.72Å; I266-D390 HydrophobicContact CG1-CB 3.91Å; I266-D390 HydrophobicContact CG2-CB 3.98Å; K269-D390 IonicContact NZ-OD1 3.87Å; K269-D390 PolarHBondContact NZ-OD1 2.78Å; K269-D390 IonicContact NZ-OD2 2.84Å; T276-D390 WeakPolarHBondContact CA-OD2 3.09Å; T276-D390 WeakPolarHBondContact CB-OD2 3.48Å; T276-D390 WeakPolarHBondContact CG2-OD2 3.26Å; C277-D390 PolarHBondContact N-OD2 2.8Å; C277-D390 PolarHBondContact O-N 3.31Å
391	L	98.3	Very high	97.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	143.5	175.5	176.8	62.1	0	0	0	110.2	L259 L262 L263 I266 L278 D279 I393 S426 L428 F476	L259-L391 HydrophobicContact CD1-CD1 4.33Å; L259-L391 HydrophobicContact CD1-CD2 3.67Å; L262-L391 HydrophobicContact CD2-CB 4.49Å; L262-L391 HydrophobicContact CD2-CD1 4.13Å; L263-L391 HydrophobicContact CD2-CD2 4.04Å; I266-L391 HydrophobicContact CD1-CB 4.11Å; L278-L391 WeakPolarHBondContact CA-O 3.1Å; L278-L391 HydrophobicContact CD1-CB 3.93Å; L278-L391 HydrophobicContact CD1-CD2 3.72Å; L278-L391 HydrophobicContact CD1-CG 4.03Å; L278-L391 HydrophobicContact CG-CB 4.23Å; L278-L391 HydrophobicContact CG-CG 4.49Å; D279-L391 PolarHBondContact N-O 3.49Å; L391-I393 HydrophobicContact CD2-CD1 4.48Å; L391-I393 HydrophobicContact CD2-CG1 4.26Å; L391-I393 HydrophobicContact CG-CG1 4.27Å; L391-S426 CarbonylContact C-O 3.49Å; L391-S426 WeakPolarHBondContact CA-O 3.41Å; L391-L428 HydrophobicContact CD1-CB 4.24Å; L391-F476 HydrophobicContact CD1-CE2 4.17Å
392	I	98.8	Very high	97.6	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	123.2	171.7	-51.2	160.2	0	0	0	109	D279 V281 L386 F394 P424 S426 L427 L428	D279-I392 HydrophobicContact CB-CG1 4.32Å; D279-I392 HydrophobicContact CB-CG2 4.15Å; D279-I392 CarbonylContact O-C 3.57Å; D279-I392 WeakPolarHBondContact O-CA 3.04Å; V281-I392 HydrophobicContact CG2-CG2 4.06Å; L386-I392 HydrophobicContact CB-CD1 3.82Å; L386-I392 HydrophobicContact CD2-CD1 4.26Å; L386-I392 HydrophobicContact CD2-CG1 4.41Å; L386-I392 HydrophobicContact CD2-CG2 4.43Å; L386-I392 HydrophobicContact CG-CD1 4.42Å; I392-F394 HydrophobicContact CB-CE2 4.06Å; I392-F394 HydrophobicContact CG2-CD2 4.05Å; I392-F394 HydrophobicContact CG2-CE1 4.41Å; I392-F394 HydrophobicContact CG2-CE2 3.46Å; I392-F394 VanDerWaalsContact CG2-CE2 3.46Å; I392-F394 HydrophobicContact CG2-CZ 3.67Å; I392-P424 HydrophobicContact CD1-CB 4.39Å; I392-P424 HydrophobicContact CD1-CG 3.73Å; I392-S426 PolarHBondContact N-O 3.09Å; I392-L427 HydrophobicContact CB-CB 4.35Å; I392-L427 CarbonylContact O-C 3.57Å; I392-L427 WeakPolarHBondContact O-CA 3.23Å; I392-L427 WeakPolarHBondContact O-CB 3.43Å; I392-L428 PolarHBondContact O-N 3.1Å
393	I	98.8	Very high	97.6	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	116.4	176.6	-56	-177.2	0	0	0	109	F214 L278 D279 I280 V281 L295 F299 L391 K395 L428 L430	F214-I393 HydrophobicContact CE1-CD1 4.45Å; L278-I393 HydrophobicContact CD1-CD1 4.23Å; L278-I393 HydrophobicContact CD2-CD1 4.06Å; L278-I393 HydrophobicContact CD2-CG1 4.26Å; D279-I393 PolarHBondContact O-N 3.35Å; I280-I393 WeakPolarHBondContact CA-O 3.32Å; I280-I393 HydrophobicContact CG1-CB 4.44Å; V281-I393 PolarHBondContact N-O 2.96Å; L295-I393 HydrophobicContact CD2-CD1 3.89Å; F299-I393 HydrophobicContact CE2-CD1 3.84Å; F299-I393 HydrophobicContact CZ-CD1 4.19Å; L391-I393 HydrophobicContact CD2-CD1 4.48Å; L391-I393 HydrophobicContact CD2-CG1 4.26Å; L391-I393 HydrophobicContact CG-CG1 4.27Å; I393-K395 HydrophobicContact CG2-CD 4.07Å; I393-K395 HydrophobicContact CG2-CG 4.48Å; I393-L428 CarbonylContact C-O 3.53Å; I393-L428 WeakPolarHBondContact CA-O 3.35Å; I393-L428 HydrophobicContact CD1-CD2 4.32Å; I393-L428 HydrophobicContact CG1-CB 4.33Å; I393-L428 HydrophobicContact CG1-CD2 4.23Å; I393-L428 HydrophobicContact CG2-CD2 4.34Å; I393-L430 HydrophobicContact CG2-CD1 3.92Å; I393-L430 HydrophobicContact CG2-CG 4.25Å
394	F	98.7	Very high	97.6	Very high	2 Å²	2	16.6 Å²	16.6	1%	0.009	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	117.9	171.7	-68.7	-84.3	0	0	0	109.9	V281 W366 Y372 I392 N399 L403 F422 L427 L428 L430	V281-F394 HydrophobicContact CB-CD1 3.74Å; V281-F394 HydrophobicContact CB-CE1 4.04Å; V281-F394 HydrophobicContact CG1-CD1 4.07Å; V281-F394 HydrophobicContact CG1-CE1 4.27Å; V281-F394 HydrophobicContact CG2-CD1 3.79Å; V281-F394 HydrophobicContact CG2-CE1 3.6Å; V281-F394 HydrophobicContact CG2-CZ 4.24Å; W366-F394 HydrophobicContact CH2-CE1 4.27Å; W366-F394 HydrophobicContact CZ3-CE1 4.15Å; Y372-F394 HydrophobicContact CD2-CD1 4.15Å; Y372-F394 AromaticContact CD2-CE1 3.71Å; Y372-F394 HydrophobicContact CD2-CE1 3.71Å; Y372-F394 HydrophobicContact CD2-CZ 4.22Å; Y372-F394 AromaticContact CE2-CD1 3.37Å; Y372-F394 HydrophobicContact CE2-CD1 3.37Å; Y372-F394 AromaticContact CE2-CE1 3.25Å; Y372-F394 HydrophobicContact CE2-CE1 3.25Å; Y372-F394 HydrophobicContact CE2-CG 4.35Å; Y372-F394 HydrophobicContact CE2-CZ 4.18Å; Y372-F394 AromaticContact CZ-CD1 3.98Å; Y372-F394 AromaticContact CZ-CE1 3.78Å; I392-F394 HydrophobicContact CB-CE2 4.06Å; I392-F394 HydrophobicContact CG2-CD2 4.05Å; I392-F394 HydrophobicContact CG2-CE1 4.41Å; I392-F394 HydrophobicContact CG2-CE2 3.46Å; I392-F394 VanDerWaalsContact CG2-CE2 3.46Å; I392-F394 HydrophobicContact CG2-CZ 3.67Å; F394-N399 HydrophobicContact CB-CB 4.12Å; F394-N399 HydrophobicContact CD1-CB 4.16Å; F394-L403 HydrophobicContact CB-CD1 3.96Å; F394-L403 HydrophobicContact CD2-CD1 4.11Å; F394-L403 HydrophobicContact CD2-CD2 4.15Å; F394-L403 HydrophobicContact CE2-CD2 4.14Å; F394-L403 HydrophobicContact CG-CD1 4.02Å; F394-L403 HydrophobicContact CG-CD2 4.45Å; F394-L403 HydrophobicContact CG-CG 4.44Å; F394-L403 HydrophobicContact CZ-CD2 4.43Å; F394-F422 AromaticContact CE2-CE1 3.94Å; F394-F422 HydrophobicContact CE2-CE1 3.94Å; F394-F422 AromaticContact CZ-CE1 3.58Å; F394-F422 HydrophobicContact CZ-CE1 3.58Å; F394-F422 AromaticContact CZ-CZ 3.96Å; F394-F422 HydrophobicContact CZ-CZ 3.96Å; F394-L427 HydrophobicContact CD2-CB 4.23Å; F394-L427 HydrophobicContact CE2-CB 4.04Å; F394-L427 HydrophobicContact CE2-CD2 4.14Å; F394-L428 PolarHBondContact N-O 3.23Å; F394-L430 PolarHBondContact O-N 3.25Å
395	K	97.6	Very high	97.6	Very high	1 Å²	1	12 Å²	12	0%	0.004	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	142.4	-178.2	-68.7	-63.9	-47.4	-147.9	0	112.3	C217 I280 V281 D283 D292 I393 N399 L430	C217-K395 VanDerWaalsContact C-NZ 3.32Å; C217-K395 PolarHBondContact O-NZ 3.22Å; I280-K395 HydrophobicContact CG2-CG 4.03Å; V281-K395 WeakPolarHBondContact O-CB 3.32Å; V281-K395 PolarHBondContact O-N 2.75Å; V281-K395 VanDerWaalsContact O-N 3.11Å; D283-K395 HydrophobicContact CB-CB 4.02Å; D283-K395 WeakPolarHBondContact CB-O 3.08Å; D292-K395 VanDerWaalsContact OD1-CD 3.25Å; D292-K395 WeakPolarHBondContact OD1-CD 3.35Å; D292-K395 WeakPolarHBondContact OD1-CE 3.44Å; D292-K395 IonicContact OD1-NZ 3.17Å; D292-K395 PolarHBondContact OD1-NZ 2.9Å; I393-K395 HydrophobicContact CG2-CD 4.07Å; I393-K395 HydrophobicContact CG2-CG 4.48Å; K395-N399 VanDerWaalsContact O-CB 3.26Å; K395-N399 WeakPolarHBondContact O-CB 3.31Å; K395-N399 PolarHBondContact O-ND2 3.49Å; K395-L430 HydrophobicContact CD-CB 4.34Å; K395-L430 HydrophobicContact CD-CD1 4.12Å
396	G	95.1	Very high	97.5	Very high	2 Å²	2	9.2 Å²	9.2	2%	0.021	6%	0.059	C	C	.	.	H	α-helix	trans	74.9	-177.7	162.1	0	0	0	0	0	116.3	D283 Y400 L430	D283-G396 WeakPolarHBondContact OD2-CA 3.45Å; G396-Y400 PolarHBondContact O-N 3.45Å; G396-L430 PolarHBondContact N-O 3.3Å
397	D	95.1	Very high	97.4	Very high	15 Å²	15	10.9 Å²	10.9	8%	0.08	7%	0.067	C	C	.	.	H	α-helix	trans	-75.8	-39.5	-170.1	-171.3	78.3	0	0	0	111.8	Y400 R401 R431 K434 A435	D397-Y400 WeakPolarHBondContact O-CB 3.47Å; D397-Y400 PolarHBondContact O-N 3.12Å; D397-R401 WeakPolarHBondContact O-CB 3.3Å; D397-R401 VanDerWaalsContact O-CG 3.27Å; D397-R401 WeakPolarHBondContact O-CG 3.3Å; D397-R401 PolarHBondContact O-N 3.41Å; D397-R401 VanDerWaalsContact OD2-CD 3.24Å; D397-R401 WeakPolarHBondContact OD2-CD 3.31Å; D397-R431 IonicContact OD1-CZ 2.67Å; D397-R431 IonicContact OD1-NE 3.81Å; D397-R431 PolarHBondContact OD1-NE 2.91Å; D397-R431 IonicContact OD1-NH2 2.64Å; D397-R431 PolarHBondContact OD1-NH2 3.16Å; D397-K434 HydrophobicContact CB-CB 4.13Å; D397-K434 PolarHBondContact OD1-N 2.78Å; D397-A435 PolarHBondContact OD1-N 2.68Å; D397-A435 WeakPolarHBondContact OD2-CB 3.49Å
398	L	96.2	Very high	97.3	Very high	7 Å²	7	10.5 Å²	10.5	4%	0.037	6%	0.061	C	C	.	.	H	α-helix	trans	-67.1	-45.2	-178	176.8	60.7	0	0	0	112.7	Y317 Y318 D321 Y400 R401 K402	Y317-L398 HydrophobicContact CD1-CD2 4.18Å; Y317-L398 HydrophobicContact CE1-CD2 3.74Å; Y318-L398 HydrophobicContact CD1-CD2 4.31Å; Y318-L398 HydrophobicContact CD2-CD1 4.49Å; Y318-L398 HydrophobicContact CD2-CD2 3.39Å; Y318-L398 HydrophobicContact CE1-CD1 4.07Å; Y318-L398 HydrophobicContact CE1-CD2 4.32Å; Y318-L398 HydrophobicContact CE2-CD1 3.73Å; Y318-L398 HydrophobicContact CE2-CD2 3.44Å; Y318-L398 VanDerWaalsContact CE2-CD2 3.44Å; Y318-L398 HydrophobicContact CE2-CG 4.24Å; Y318-L398 HydrophobicContact CG-CD2 3.88Å; Y318-L398 VanDerWaalsContact CZ-CD1 3.47Å; Y318-L398 WeakPolarHBondContact OH-CD1 3.23Å; D321-L398 VanDerWaalsContact OD2-CD2 3.32Å; D321-L398 WeakPolarHBondContact OD2-CD2 3.21Å; L398-Y400 VanDerWaalsContact C-N 3.26Å; L398-Y400 PolarHBondContact O-N 3.39Å; L398-R401 WeakPolarHBondContact O-CB 3.49Å; L398-R401 PolarHBondContact O-N 2.81Å; L398-K402 PolarHBondContact O-N 3.47Å
399	N	98.1	Very high	97.3	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-65.7	-34.2	178.6	-63.1	-42.4	0	0	0	110.6	V281 L282 K313 Y372 F394 K395 K402 L403	V281-N399 PolarHBondContact O-ND2 3.33Å; L282-N399 PolarHBondContact O-ND2 3.47Å; K313-N399 PolarHBondContact NZ-OD1 3.36Å; Y372-N399 HydrophobicContact CE2-CB 4.32Å; Y372-N399 VanDerWaalsContact CE2-O 3.31Å; Y372-N399 WeakPolarHBondContact CE2-O 3.5Å; Y372-N399 WeakPolarHBondContact OH-CB 3.2Å; Y372-N399 PolarHBondContact OH-OD1 3.21Å; F394-N399 HydrophobicContact CB-CB 4.12Å; F394-N399 HydrophobicContact CD1-CB 4.16Å; K395-N399 VanDerWaalsContact O-CB 3.26Å; K395-N399 WeakPolarHBondContact O-CB 3.31Å; K395-N399 PolarHBondContact O-ND2 3.49Å; N399-K402 PolarHBondContact O-N 2.94Å; N399-L403 WeakPolarHBondContact O-CG 3.45Å; N399-L403 PolarHBondContact O-N 3.04Å
400	Y	98.1	Very high	97.2	Very high	1 Å²	1	12.1 Å²	12.1	0%	0.004	6%	0.064	C	C	.	.	H	α-helix	trans	-66	-43.5	172.2	-169.7	-82	0	0	0	113.1	G396 D397 L398 K402 L403 L404 F415 A429 R431 A439 V473 Q475	G396-Y400 PolarHBondContact O-N 3.45Å; D397-Y400 WeakPolarHBondContact O-CB 3.47Å; D397-Y400 PolarHBondContact O-N 3.12Å; L398-Y400 VanDerWaalsContact C-N 3.26Å; L398-Y400 PolarHBondContact O-N 3.39Å; Y400-K402 PolarHBondContact O-N 3.16Å; Y400-L403 WeakPolarHBondContact O-CB 3.43Å; Y400-L403 PolarHBondContact O-N 2.65Å; Y400-L403 VanDerWaalsContact O-N 3.08Å; Y400-L404 HydrophobicContact CD1-CD1 4.04Å; Y400-L404 HydrophobicContact CD1-CD2 4.38Å; Y400-L404 HydrophobicContact CE1-CD1 3.67Å; Y400-L404 HydrophobicContact CE1-CD2 3.56Å; Y400-L404 HydrophobicContact CE1-CG 4.21Å; Y400-L404 HydrophobicContact CE2-CD1 4.46Å; Y400-L404 PolarHBondContact O-N 3.11Å; Y400-F415 AromaticContact CE2-CE2 4Å; Y400-F415 HydrophobicContact CE2-CE2 4Å; Y400-A429 HydrophobicContact CD2-CB 3.83Å; Y400-A429 HydrophobicContact CE2-CB 4.23Å; Y400-R431 VanDerWaalsContact CB-CD 3.43Å; Y400-R431 VanDerWaalsContact CD1-CD 3.47Å; Y400-R431 HydrophobicContact CD2-CB 3.99Å; Y400-R431 HydrophobicContact CD2-CG 4.41Å; Y400-R431 HydrophobicContact CG-CB 4.33Å; Y400-R431 HydrophobicContact CG-CG 4.34Å; Y400-A439 PolarHBondContact OH-N 3.13Å; Y400-V473 HydrophobicContact CE2-CG2 3.95Å; Y400-Q475 VanDerWaalsContact CZ-OE1 3.25Å; Y400-Q475 PolarHBondContact OH-OE1 3.14Å
401	R	97.8	Very high	97.2	Very high	7 Å²	7	11.4 Å²	11.4	3%	0.026	6%	0.06	C	C	.	.	H	α-helix	trans	-56.5	-40.5	172.6	-78.9	175.8	61.7	-162.7	-3.6	111.8	W127 E131 D397 L398 L404 A405 D406 A435 L437	W127-R401 VanDerWaalsContact CD2-NH2 3.27Å; W127-R401 VanDerWaalsContact CE2-NH2 3.3Å; W127-R401 VanDerWaalsContact CH2-CZ 3.46Å; E131-R401 IonicContact OE2-CZ 3.76Å; E131-R401 VanDerWaalsContact OE2-CZ 3.27Å; E131-R401 IonicContact OE2-NH1 3.69Å; E131-R401 PolarHBondContact OE2-NH1 3.02Å; E131-R401 IonicContact OE2-NH2 3.67Å; E131-R401 PolarHBondContact OE2-NH2 3.36Å; D397-R401 WeakPolarHBondContact O-CB 3.3Å; D397-R401 VanDerWaalsContact O-CG 3.27Å; D397-R401 WeakPolarHBondContact O-CG 3.3Å; D397-R401 PolarHBondContact O-N 3.41Å; D397-R401 VanDerWaalsContact OD2-CD 3.24Å; D397-R401 WeakPolarHBondContact OD2-CD 3.31Å; L398-R401 WeakPolarHBondContact O-CB 3.49Å; L398-R401 PolarHBondContact O-N 2.81Å; R401-L404 CarbonylContact O-C 3.16Å; R401-L404 PolarHBondContact O-N 2.96Å; R401-A405 WeakPolarHBondContact O-CA 3.44Å; R401-A405 PolarHBondContact O-N 3.01Å; R401-D406 WeakPolarHBondContact CB-OD1 3.48Å; R401-D406 WeakPolarHBondContact CG-OD1 3.42Å; R401-D406 IonicContact CZ-OD1 2.7Å; R401-D406 IonicContact CZ-OD2 3.77Å; R401-D406 IonicContact NE-OD1 3.98Å; R401-D406 PolarHBondContact NE-OD1 2.54Å; R401-D406 IonicContact NE-OD2 2.76Å; R401-D406 PolarHBondContact NE-OD2 3.25Å; R401-D406 IonicContact NH2-OD1 3.85Å; R401-D406 IonicContact NH2-OD2 3.19Å; R401-D406 PolarHBondContact NH2-OD2 2.77Å; R401-D406 PolarHBondContact O-N 3.26Å; R401-A435 HydrophobicContact CG-CB 4.21Å; R401-L437 HydrophobicContact CG-CD2 4.45Å
402	K	98.4	Very high	97.2	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-68.7	-32.3	173.5	-77.2	175.5	169.7	-83.2	0	113.8	L128 Y317 S368 Y370 P371 Y372 L398 N399 Y400	L128-K402 HydrophobicContact CD1-CG 3.8Å; L128-K402 HydrophobicContact CD2-CG 4.27Å; Y317-K402 VanDerWaalsContact OH-CE 3.29Å; Y317-K402 WeakPolarHBondContact OH-CE 3.23Å; Y317-K402 PolarHBondContact OH-NZ 2.96Å; S368-K402 PolarHBondContact O-NZ 3.49Å; Y370-K402 PolarHBondContact O-NZ 3.44Å; P371-K402 WeakPolarHBondContact CA-O 3.2Å; P371-K402 WeakPolarHBondContact CB-O 3.03Å; Y372-K402 HydrophobicContact CD1-CB 3.89Å; Y372-K402 HydrophobicContact CD1-CD 4.44Å; Y372-K402 HydrophobicContact CD2-CB 4.01Å; Y372-K402 HydrophobicContact CE1-CB 3.67Å; Y372-K402 HydrophobicContact CE1-CD 3.66Å; Y372-K402 HydrophobicContact CE1-CG 4.23Å; Y372-K402 HydrophobicContact CE2-CB 3.73Å; Y372-K402 HydrophobicContact CG-CB 4.1Å; Y372-K402 PolarHBondContact N-O 3.26Å; L398-K402 PolarHBondContact O-N 3.47Å; N399-K402 PolarHBondContact O-N 2.94Å; Y400-K402 PolarHBondContact O-N 3.16Å
403	L	98.6	Very high	97.1	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-63.2	-44.1	172.4	-75.8	166.3	0	0	0	111.1	Y372 F394 N399 Y400 F415 L419 F422 L427 A429	Y372-L403 HydrophobicContact CD2-CB 4.39Å; Y372-L403 HydrophobicContact CD2-CD2 3.59Å; Y372-L403 HydrophobicContact CD2-CG 3.67Å; Y372-L403 HydrophobicContact CE2-CD2 4.24Å; Y372-L403 HydrophobicContact CE2-CG 3.98Å; F394-L403 HydrophobicContact CB-CD1 3.96Å; F394-L403 HydrophobicContact CD2-CD1 4.11Å; F394-L403 HydrophobicContact CD2-CD2 4.15Å; F394-L403 HydrophobicContact CE2-CD2 4.14Å; F394-L403 HydrophobicContact CG-CD1 4.02Å; F394-L403 HydrophobicContact CG-CD2 4.45Å; F394-L403 HydrophobicContact CG-CG 4.44Å; F394-L403 HydrophobicContact CZ-CD2 4.43Å; N399-L403 WeakPolarHBondContact O-CG 3.45Å; N399-L403 PolarHBondContact O-N 3.04Å; Y400-L403 WeakPolarHBondContact O-CB 3.43Å; Y400-L403 PolarHBondContact O-N 2.65Å; Y400-L403 VanDerWaalsContact O-N 3.08Å; L403-F415 HydrophobicContact CD1-CZ 4.42Å; L403-L419 HydrophobicContact CB-CD2 3.98Å; L403-L419 HydrophobicContact CD2-CD2 3.61Å; L403-L419 HydrophobicContact CG-CD2 4.25Å; L403-F422 HydrophobicContact CD2-CD1 3.72Å; L403-F422 HydrophobicContact CD2-CE1 3.93Å; L403-L427 HydrophobicContact CD2-CD2 4.28Å; L403-A429 HydrophobicContact CD1-CB 3.9Å
404	L	98.1	Very high	97.1	Very high	1 Å²	1	20 Å²	20	1%	0.005	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	2.8	-178.2	-82.8	68.6	0	0	0	114	Y400 R401 D406 I407 V409 F415 A418 Q420 L437 A439	Y400-L404 HydrophobicContact CD1-CD1 4.04Å; Y400-L404 HydrophobicContact CD1-CD2 4.38Å; Y400-L404 HydrophobicContact CE1-CD1 3.67Å; Y400-L404 HydrophobicContact CE1-CD2 3.56Å; Y400-L404 HydrophobicContact CE1-CG 4.21Å; Y400-L404 HydrophobicContact CE2-CD1 4.46Å; Y400-L404 PolarHBondContact O-N 3.11Å; R401-L404 CarbonylContact O-C 3.16Å; R401-L404 PolarHBondContact O-N 2.96Å; L404-D406 PolarHBondContact O-N 2.7Å; L404-I407 PolarHBondContact O-N 3.38Å; L404-I407 VanDerWaalsContact O-N 3.13Å; L404-V409 HydrophobicContact CD2-CG2 4.36Å; L404-F415 HydrophobicContact CD1-CE2 4.1Å; L404-A418 HydrophobicContact CD1-CB 4.45Å; L404-A418 HydrophobicContact CD2-CB 4.32Å; L404-A418 HydrophobicContact CG-CB 3.96Å; L404-Q420 PolarHBondContact O-NE2 2.86Å; L404-L437 HydrophobicContact CB-CD1 4.41Å; L404-L437 HydrophobicContact CB-CD2 3.61Å; L404-L437 HydrophobicContact CB-CG 4.28Å; L404-L437 HydrophobicContact CD2-CD1 3.91Å; L404-L437 HydrophobicContact CD2-CD2 3.99Å; L404-L437 HydrophobicContact CD2-CG 3.77Å; L404-L437 HydrophobicContact CG-CD2 4.46Å; L404-A439 HydrophobicContact CD2-CB 3.86Å
405	A	97.3	Very high	97	Very high	14 Å²	14	20.5 Å²	20.5	12%	0.116	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	24.4	-178.3	0	0	0	0	0	116.2	P371 R401 I407	P371-A405 HydrophobicContact CB-CB 3.33Å; P371-A405 HydrophobicContact CG-CB 3.81Å; R401-A405 WeakPolarHBondContact O-CA 3.44Å; R401-A405 PolarHBondContact O-N 3.01Å; A405-I407 HydrophobicContact CB-CD1 4.08Å; A405-I407 HydrophobicContact CB-CG1 4.07Å; A405-I407 PolarHBondContact O-N 3.02Å
406	D	96.4	Very high	97	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.6	31.9	-170.2	-84.8	-5	0	0	0	112.8	P18 L19 L128 R401 L404	P18-D406 CarbonylContact C-O 3.54Å; P18-D406 WeakPolarHBondContact CA-O 3.33Å; L19-D406 HydrophobicContact CB-CB 4.36Å; L19-D406 HydrophobicContact CD1-CB 4.38Å; L19-D406 WeakPolarHBondContact CG-O 2.94Å; L19-D406 PolarHBondContact N-O 3.15Å; L128-D406 WeakPolarHBondContact CA-OD2 3.1Å; L128-D406 HydrophobicContact CB-CB 3.99Å; L128-D406 WeakPolarHBondContact CB-OD2 3.33Å; L128-D406 PolarHBondContact N-OD2 2.75Å; L128-D406 VanDerWaalsContact N-OD2 3.11Å; R401-D406 WeakPolarHBondContact CB-OD1 3.48Å; R401-D406 WeakPolarHBondContact CG-OD1 3.42Å; R401-D406 IonicContact CZ-OD1 2.7Å; R401-D406 IonicContact CZ-OD2 3.77Å; R401-D406 IonicContact NE-OD1 3.98Å; R401-D406 PolarHBondContact NE-OD1 2.54Å; R401-D406 IonicContact NE-OD2 2.76Å; R401-D406 PolarHBondContact NE-OD2 3.25Å; R401-D406 IonicContact NH2-OD1 3.85Å; R401-D406 IonicContact NH2-OD2 3.19Å; R401-D406 PolarHBondContact NH2-OD2 2.77Å; R401-D406 PolarHBondContact O-N 3.26Å; L404-D406 PolarHBondContact O-N 2.7Å
407	I	96.4	Very high	97.2	Very high	35 Å²	35	27.4 Å²	27.4	18%	0.179	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-87.7	125.6	175.9	-62.9	175.4	0	0	0	108.9	L404 A405 V409 L437	L404-I407 PolarHBondContact O-N 3.38Å; L404-I407 VanDerWaalsContact O-N 3.13Å; A405-I407 HydrophobicContact CB-CD1 4.08Å; A405-I407 HydrophobicContact CB-CG1 4.07Å; A405-I407 PolarHBondContact O-N 3.02Å; I407-V409 HydrophobicContact CB-CG1 4.45Å; I407-V409 HydrophobicContact CG2-CG1 4.03Å; I407-V409 PolarHBondContact O-N 3.48Å; I407-L437 WeakPolarHBondContact O-CD1 3.39Å
408	N	95.5	Very high	97.3	Very high	25 Å²	25	26.9 Å²	26.9	13%	0.134	15%	0.152	C	C	.	.			trans	-65	108	173.2	-177.4	34.2	0	0	0	109.6	T13 P14 T15 G16 A17 L19	T13-N408 HydrophobicContact CG2-CB 3.73Å; T13-N408 PolarHBondContact O-ND2 3.34Å; P14-N408 PolarHBondContact O-ND2 3.04Å; T15-N408 CarbonylContact C-O 3.46Å; T15-N408 WeakPolarHBondContact CA-O 3.48Å; G16-N408 PolarHBondContact N-O 3.05Å; A17-N408 PolarHBondContact O-N 3.33Å; L19-N408 HydrophobicContact CD2-CB 4.17Å
409	V	95.8	Very high	97.4	Very high	20 Å²	20	26.6 Å²	26.6	12%	0.121	15%	0.151	C	C	.	.			trans	-111.4	156.7	179.1	-66.5	0	0	0	0	110.1	L404 I407 S411 L413 L437 A439	L404-V409 HydrophobicContact CD2-CG2 4.36Å; I407-V409 HydrophobicContact CB-CG1 4.45Å; I407-V409 HydrophobicContact CG2-CG1 4.03Å; I407-V409 PolarHBondContact O-N 3.48Å; V409-S411 PolarHBondContact O-N 3.06Å; V409-L413 HydrophobicContact CB-CB 4.42Å; V409-L413 HydrophobicContact CB-CD2 3.76Å; V409-L413 HydrophobicContact CG1-CD2 3.7Å; V409-L413 HydrophobicContact CG2-CD2 4.28Å; V409-L437 HydrophobicContact CG2-CD1 4.23Å; V409-A439 HydrophobicContact CG2-CB 4.03Å
410	E	95.9	Very high	97.3	Very high	102 Å²	102	30.1 Å²	30.1	48%	0.477	17%	0.167	S	C	.	.			trans	-56.4	134.2	167.6	-66.4	-55.4	136.3	0	0	109.2	T15 T412 L413	T15-E410 WeakPolarHBondContact CB-OE1 3.43Å; T15-E410 HydrophobicContact CG2-CG 3.89Å; T15-E410 WeakPolarHBondContact CG2-OE1 3.36Å; T15-E410 PolarHBondContact OG1-OE1 2.88Å; E410-T412 PolarHBondContact O-N 3.44Å; E410-L413 VanDerWaalsContact O-CB 3.23Å; E410-L413 WeakPolarHBondContact O-CB 3.49Å; E410-L413 PolarHBondContact O-N 2.87Å
411	S	95.9	Very high	97.3	Very high	7 Å²	7	33.2 Å²	33.2	5%	0.049	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-20.7	-174.6	50	0	0	0	0	113.2	V409 A439 G440 L441 R446	V409-S411 PolarHBondContact O-N 3.06Å; S411-A439 CarbonylContact O-C 3.55Å; S411-G440 PolarHBondContact O-N 3.48Å; S411-G440 VanDerWaalsContact O-N 3.07Å; S411-L441 WeakPolarHBondContact O-CB 3.47Å; S411-L441 PolarHBondContact O-N 2.89Å; S411-R446 WeakPolarHBondContact OG-CD 3.36Å
412	T	97.9	Very high	97.3	Very high	69 Å²	69	33 Å²	33	42%	0.423	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-2	177.4	61.4	0	0	0	0	113.9	E410 L441	E410-T412 PolarHBondContact O-N 3.44Å; T412-L441 WeakPolarHBondContact CA-O 3.38Å
413	L	98	Very high	97.2	Very high	52 Å²	52	34.3 Å²	34.3	27%	0.272	21%	0.208	S	C	.	.	S	Bend	trans	-57	128.7	174.9	-177.3	70.9	0	0	0	108.7	V409 E410 F415 D417 A418 G440	V409-L413 HydrophobicContact CB-CB 4.42Å; V409-L413 HydrophobicContact CB-CD2 3.76Å; V409-L413 HydrophobicContact CG1-CD2 3.7Å; V409-L413 HydrophobicContact CG2-CD2 4.28Å; E410-L413 VanDerWaalsContact O-CB 3.23Å; E410-L413 WeakPolarHBondContact O-CB 3.49Å; E410-L413 PolarHBondContact O-N 2.87Å; L413-F415 PolarHBondContact O-N 3.25Å; L413-D417 HydrophobicContact CD1-CB 4.1Å; L413-D417 HydrophobicContact CG-CB 4.23Å; L413-A418 HydrophobicContact CD2-CB 3.96Å; L413-G440 WeakPolarHBondContact O-CA 3.41Å; L413-G440 PolarHBondContact O-N 3.04Å
414	P	97.9	Very high	97.2	Very high	61 Å²	61	34.3 Å²	34.3	40%	0.396	21%	0.208	S	C	.	.			trans	-53.9	138.8	178.5	-27.6	36.4	0	0	0	111.6	S416 D417 A418	P414-S416 PolarHBondContact O-N 3.44Å; P414-D417 HydrophobicContact CB-CB 4.46Å; P414-D417 PolarHBondContact O-N 2.62Å; P414-A418 PolarHBondContact O-N 2.69Å; P414-A418 VanDerWaalsContact O-N 3.09Å
415	F	98	Very high	97.2	Very high	11 Å²	11	34.7 Å²	34.7	5%	0.048	21%	0.211	C	C	.	.	H	α-helix	trans	-56.5	-39.7	-178.8	178.9	-120.5	0	0	0	111.7	Y400 L403 L404 L413 D417 A418 L419 L427 A429 Q475 H477	Y400-F415 AromaticContact CE2-CE2 4Å; Y400-F415 HydrophobicContact CE2-CE2 4Å; L403-F415 HydrophobicContact CD1-CZ 4.42Å; L404-F415 HydrophobicContact CD1-CE2 4.1Å; L413-F415 PolarHBondContact O-N 3.25Å; F415-D417 VanDerWaalsContact C-N 3.28Å; F415-D417 PolarHBondContact O-N 3.15Å; F415-A418 WeakPolarHBondContact O-CB 3.47Å; F415-A418 PolarHBondContact O-N 3.21Å; F415-L419 HydrophobicContact CE1-CD1 4.31Å; F415-L419 HydrophobicContact CE1-CD2 4.39Å; F415-L419 HydrophobicContact CE2-CD2 4.09Å; F415-L419 HydrophobicContact CZ-CD2 3.88Å; F415-L419 HydrophobicContact CZ-CG 4.44Å; F415-L419 WeakPolarHBondContact O-CG 3.38Å; F415-L419 PolarHBondContact O-N 3.17Å; F415-L427 HydrophobicContact CE1-CD1 3.77Å; F415-L427 HydrophobicContact CZ-CD1 3.97Å; F415-A429 HydrophobicContact CZ-CB 3.89Å; F415-Q475 HydrophobicContact CD1-CB 3.71Å; F415-Q475 HydrophobicContact CD2-CB 4.11Å; F415-Q475 VanDerWaalsContact CD2-OE1 3.29Å; F415-Q475 HydrophobicContact CE1-CB 3.72Å; F415-Q475 HydrophobicContact CE2-CB 4.13Å; F415-Q475 HydrophobicContact CG-CB 3.9Å; F415-Q475 HydrophobicContact CG-CG 4.47Å; F415-Q475 HydrophobicContact CZ-CB 3.94Å; F415-H477 HydrophobicContact CD1-CB 4.19Å; F415-H477 HydrophobicContact CE1-CB 4.12Å
416	S	97.2	Very high	97.2	Very high	54 Å²	54	34.5 Å²	34.5	38%	0.378	21%	0.208	S	C	.	.	H	α-helix	trans	-55.2	-39.9	175.2	54.1	0	0	0	0	113.6	P414 L419	P414-S416 PolarHBondContact O-N 3.44Å; S416-L419 WeakPolarHBondContact O-CB 3.41Å
417	D	97.7	Very high	97.3	Very high	95 Å²	95	34.5 Å²	34.5	51%	0.508	21%	0.208	S	C	.	.	H	α-helix	trans	-77	-37.5	-177.6	-59.8	-7	0	0	0	109.9	L413 P414 F415 L419 Q420	L413-D417 HydrophobicContact CD1-CB 4.1Å; L413-D417 HydrophobicContact CG-CB 4.23Å; P414-D417 HydrophobicContact CB-CB 4.46Å; P414-D417 PolarHBondContact O-N 2.62Å; F415-D417 VanDerWaalsContact C-N 3.28Å; F415-D417 PolarHBondContact O-N 3.15Å; D417-L419 PolarHBondContact O-N 2.86Å; D417-Q420 PolarHBondContact O-N 2.91Å
418	A	97.8	Very high	97.4	Very high	3 Å²	3	32.8 Å²	32.8	3%	0.025	20%	0.2	C	C	.	.	H	α-helix	trans	-63.9	-22.2	176.6	0	0	0	0	0	113.2	L404 L413 P414 F415 Q420 A439	L404-A418 HydrophobicContact CD1-CB 4.45Å; L404-A418 HydrophobicContact CD2-CB 4.32Å; L404-A418 HydrophobicContact CG-CB 3.96Å; L413-A418 HydrophobicContact CD2-CB 3.96Å; P414-A418 PolarHBondContact O-N 2.69Å; P414-A418 VanDerWaalsContact O-N 3.09Å; F415-A418 WeakPolarHBondContact O-CB 3.47Å; F415-A418 PolarHBondContact O-N 3.21Å; A418-Q420 PolarHBondContact O-N 3.16Å; A418-A439 HydrophobicContact CB-CB 3.64Å
419	L	98.1	Very high	97.5	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-11.3	172.5	-65.3	175.4	0	0	0	113.8	L403 F415 S416 D417 G421 F422 L427 H477	L403-L419 HydrophobicContact CB-CD2 3.98Å; L403-L419 HydrophobicContact CD2-CD2 3.61Å; L403-L419 HydrophobicContact CG-CD2 4.25Å; F415-L419 HydrophobicContact CE1-CD1 4.31Å; F415-L419 HydrophobicContact CE1-CD2 4.39Å; F415-L419 HydrophobicContact CE2-CD2 4.09Å; F415-L419 HydrophobicContact CZ-CD2 3.88Å; F415-L419 HydrophobicContact CZ-CG 4.44Å; F415-L419 WeakPolarHBondContact O-CG 3.38Å; F415-L419 PolarHBondContact O-N 3.17Å; S416-L419 WeakPolarHBondContact O-CB 3.41Å; D417-L419 PolarHBondContact O-N 2.86Å; L419-G421 PolarHBondContact O-N 3.35Å; L419-G421 VanDerWaalsContact O-N 3.17Å; L419-F422 VanDerWaalsContact O-CB 3.27Å; L419-F422 WeakPolarHBondContact O-CB 3.44Å; L419-F422 PolarHBondContact O-N 2.79Å; L419-L427 HydrophobicContact CD1-CD1 4.18Å; L419-L427 HydrophobicContact CD1-CD2 4.11Å; L419-L427 HydrophobicContact CD1-CG 4.44Å; L419-L427 HydrophobicContact CD2-CD1 4.35Å; L419-L427 HydrophobicContact CD2-CD2 4.45Å; L419-H477 HydrophobicContact CD1-CB 3.86Å
420	Q	97.2	Very high	97.6	Very high	75 Å²	75	30.9 Å²	30.9	35%	0.35	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	39.6	176.1	-63.8	167.6	77.1	0	0	113.2	H373 L404 D417 A418 F422	H373-Q420 HydrophobicContact CB-CB 3.98Å; H373-Q420 WeakPolarHBondContact CB-O 3.35Å; L404-Q420 PolarHBondContact O-NE2 2.86Å; D417-Q420 PolarHBondContact O-N 2.91Å; A418-Q420 PolarHBondContact O-N 3.16Å; Q420-F422 VanDerWaalsContact C-N 3.31Å; Q420-F422 PolarHBondContact O-N 3.08Å
421	G	96.5	Very high	97.7	Very high	66 Å²	66	26 Å²	26	68%	0.68	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.4	2.8	-179.8	0	0	0	0	0	115.2	L419 S423	L419-G421 PolarHBondContact O-N 3.35Å; L419-G421 VanDerWaalsContact O-N 3.17Å; G421-S423 PolarHBondContact O-N 2.84Å
422	F	98	Very high	97.6	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.009	16%	0.164	C	C	.	.			trans	-69.4	102.4	171.2	-175.4	-108.6	0	0	0	110.8	Y372 H373 M375 Y383 F394 L403 L419 Q420 P424 L427	Y372-F422 HydrophobicContact CD2-CE1 4.26Å; Y372-F422 HydrophobicContact CG-CE1 4.39Å; Y372-F422 HydrophobicContact CG-CZ 4.39Å; Y372-F422 WeakPolarHBondContact O-CD2 3.16Å; Y372-F422 WeakPolarHBondContact O-CE2 3.43Å; H373-F422 HydrophobicContact CB-CB 4.12Å; M375-F422 HydrophobicContact CB-CE2 4.12Å; M375-F422 HydrophobicContact CE-CE2 3.94Å; M375-F422 HydrophobicContact CE-CZ 3.91Å; M375-F422 HydrophobicContact SD-CE2 3.94Å; M375-F422 HydrophobicContact SD-CZ 4.29Å; Y383-F422 HydrophobicContact CD2-CD2 4.4Å; Y383-F422 HydrophobicContact CD2-CE2 4.01Å; Y383-F422 AromaticContact CE2-CD2 3.94Å; Y383-F422 HydrophobicContact CE2-CD2 3.94Å; Y383-F422 AromaticContact CE2-CE2 3.93Å; Y383-F422 HydrophobicContact CE2-CE2 3.93Å; F394-F422 AromaticContact CE2-CE1 3.94Å; F394-F422 HydrophobicContact CE2-CE1 3.94Å; F394-F422 AromaticContact CZ-CE1 3.58Å; F394-F422 HydrophobicContact CZ-CE1 3.58Å; F394-F422 AromaticContact CZ-CZ 3.96Å; F394-F422 HydrophobicContact CZ-CZ 3.96Å; L403-F422 HydrophobicContact CD2-CD1 3.72Å; L403-F422 HydrophobicContact CD2-CE1 3.93Å; L419-F422 VanDerWaalsContact O-CB 3.27Å; L419-F422 WeakPolarHBondContact O-CB 3.44Å; L419-F422 PolarHBondContact O-N 2.79Å; Q420-F422 VanDerWaalsContact C-N 3.31Å; Q420-F422 PolarHBondContact O-N 3.08Å; F422-P424 HydrophobicContact CE1-CG 4.06Å; F422-P424 HydrophobicContact CE2-CG 3.83Å; F422-P424 HydrophobicContact CZ-CG 3.58Å; F422-L427 HydrophobicContact CD1-CD2 4Å; F422-L427 HydrophobicContact CE1-CD2 4.13Å
423	S	97.3	Very high	97.4	Very high	28 Å²	28	22.4 Å²	22.4	20%	0.196	14%	0.144	C	C	.	.			trans	-149.5	57.4	-178.3	-172.6	0	0	0	0	112.4	G421 S425 H477	G421-S423 PolarHBondContact O-N 2.84Å; S423-S425 VanDerWaalsContact C-N 3.32Å; S423-S425 PolarHBondContact O-N 2.71Å; S423-H477 PolarHBondContact OG-NE2 2.91Å; S423-H477 VanDerWaalsContact OG-NE2 3.08Å
424	P	97.5	Very high	97.1	Very high	0 Å²	0	21 Å²	21	0%	0	14%	0.136	C	C	.	.	S	Bend	trans	-62.1	-39.8	178.4	24.5	-32.3	0	0	0	112	Y383 L386 A387 I392 F422 K479	Y383-P424 HydrophobicContact CD1-CB 4.33Å; Y383-P424 HydrophobicContact CD2-CB 4.07Å; Y383-P424 HydrophobicContact CD2-CG 4.43Å; Y383-P424 HydrophobicContact CE1-CB 4.02Å; Y383-P424 HydrophobicContact CE2-CB 3.76Å; Y383-P424 HydrophobicContact CE2-CG 4.07Å; Y383-P424 HydrophobicContact CG-CB 4.35Å; L386-P424 HydrophobicContact CB-CB 4.02Å; L386-P424 HydrophobicContact CB-CG 4.22Å; A387-P424 WeakPolarHBondContact CA-O 3.33Å; A387-P424 HydrophobicContact CB-CB 4.45Å; I392-P424 HydrophobicContact CD1-CB 4.39Å; I392-P424 HydrophobicContact CD1-CG 3.73Å; F422-P424 HydrophobicContact CE1-CG 4.06Å; F422-P424 HydrophobicContact CE2-CG 3.83Å; F422-P424 HydrophobicContact CZ-CG 3.58Å; P424-K479 WeakPolarHBondContact O-CD 3.47Å; P424-K479 WeakPolarHBondContact O-CE 3.42Å; P424-K479 PolarHBondContact O-NZ 3.22Å
425	S	97.8	Very high	96.8	Very high	9 Å²	9	18.1 Å²	18.1	6%	0.063	12%	0.117	C	C	.	.	S	Bend	trans	-144.1	179.6	170.5	-168.6	0	0	0	0	109.6	S389 S423	S389-S425 WeakPolarHBondContact O-CB 3.39Å; S389-S425 PolarHBondContact O-OG 3.01Å; S423-S425 VanDerWaalsContact C-N 3.32Å; S423-S425 PolarHBondContact O-N 2.71Å
426	S	98.3	Very high	96.5	Very high	9 Å²	9	18.9 Å²	18.9	6%	0.063	12%	0.121	C	C	.	.			trans	-56.2	139.8	164	-64.7	0	0	0	0	108.9	L391 I392 H477 K479	L391-S426 CarbonylContact C-O 3.49Å; L391-S426 WeakPolarHBondContact CA-O 3.41Å; I392-S426 PolarHBondContact N-O 3.09Å; S426-H477 CarbonylContact C-O 3.53Å; S426-H477 VanDerWaalsContact CA-O 3.32Å; S426-H477 WeakPolarHBondContact CA-O 3.31Å; S426-K479 PolarHBondContact OG-N 2.93Å
427	L	98.4	Very high	96.3	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	152.3	-175.9	66.7	82.2	0	0	0	112.9	I392 F394 L403 F415 L419 F422 F476 H477	I392-L427 HydrophobicContact CB-CB 4.35Å; I392-L427 CarbonylContact O-C 3.57Å; I392-L427 WeakPolarHBondContact O-CA 3.23Å; I392-L427 WeakPolarHBondContact O-CB 3.43Å; F394-L427 HydrophobicContact CD2-CB 4.23Å; F394-L427 HydrophobicContact CE2-CB 4.04Å; F394-L427 HydrophobicContact CE2-CD2 4.14Å; L403-L427 HydrophobicContact CD2-CD2 4.28Å; F415-L427 HydrophobicContact CE1-CD1 3.77Å; F415-L427 HydrophobicContact CZ-CD1 3.97Å; L419-L427 HydrophobicContact CD1-CD1 4.18Å; L419-L427 HydrophobicContact CD1-CD2 4.11Å; L419-L427 HydrophobicContact CD1-CG 4.44Å; L419-L427 HydrophobicContact CD2-CD1 4.35Å; L419-L427 HydrophobicContact CD2-CD2 4.45Å; F422-L427 HydrophobicContact CD1-CD2 4Å; F422-L427 HydrophobicContact CE1-CD2 4.13Å; L427-F476 WeakPolarHBondContact O-CA 3.4Å; L427-F476 VanDerWaalsContact O-CD2 3.26Å; L427-F476 WeakPolarHBondContact O-CD2 3.4Å; L427-H477 HydrophobicContact CD1-CB 4.07Å; L427-H477 HydrophobicContact CG-CB 4.16Å; L427-H477 PolarHBondContact N-O 3.21Å; L427-H477 PolarHBondContact O-N 3.17Å
428	L	98.7	Very high	96.2	Very high	0 Å²	0	12 Å²	12	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	128.8	175.6	179	70.3	0	0	0	108.7	F214 L259 L391 I392 I393 F394 L430 I474 Q475 F476	F214-L428 HydrophobicContact CD1-CD2 4.17Å; F214-L428 HydrophobicContact CE1-CD2 3.45Å; F214-L428 VanDerWaalsContact CE1-CD2 3.45Å; F214-L428 HydrophobicContact CZ-CD2 4.21Å; L259-L428 HydrophobicContact CD1-CD2 4.29Å; L259-L428 HydrophobicContact CD2-CD1 3.92Å; L259-L428 HydrophobicContact CD2-CD2 3.53Å; L259-L428 HydrophobicContact CD2-CG 4.33Å; L391-L428 HydrophobicContact CD1-CB 4.24Å; I392-L428 PolarHBondContact O-N 3.1Å; I393-L428 CarbonylContact C-O 3.53Å; I393-L428 WeakPolarHBondContact CA-O 3.35Å; I393-L428 HydrophobicContact CD1-CD2 4.32Å; I393-L428 HydrophobicContact CG1-CB 4.33Å; I393-L428 HydrophobicContact CG1-CD2 4.23Å; I393-L428 HydrophobicContact CG2-CD2 4.34Å; F394-L428 PolarHBondContact N-O 3.23Å; L428-L430 HydrophobicContact CD1-CD2 4.37Å; L428-L430 HydrophobicContact CD2-CD1 4.23Å; L428-L430 HydrophobicContact CD2-CD2 3.86Å; L428-L430 HydrophobicContact CD2-CG 3.93Å; L428-L430 HydrophobicContact CG-CD2 4.04Å; L428-L430 HydrophobicContact CG-CG 4.12Å; L428-I474 HydrophobicContact CD1-CG2 3.79Å; L428-Q475 CarbonylContact C-O 3.43Å; L428-Q475 WeakPolarHBondContact CA-O 3.34Å; L428-F476 HydrophobicContact CD1-CB 4.08Å
429	A	98.5	Very high	96.2	Very high	1 Å²	1	11.9 Å²	11.9	1%	0.008	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	121.5	169	0	0	0	0	0	110	Y400 L403 F415 Q475	Y400-A429 HydrophobicContact CD2-CB 3.83Å; Y400-A429 HydrophobicContact CE2-CB 4.23Å; L403-A429 HydrophobicContact CD1-CB 3.9Å; F415-A429 HydrophobicContact CZ-CB 3.89Å; A429-Q475 PolarHBondContact N-O 3.48Å; A429-Q475 PolarHBondContact O-N 3.06Å
430	L	97.9	Very high	96.2	Very high	3 Å²	3	12.8 Å²	12.8	2%	0.016	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	103.4	175.2	-63.9	179.8	0	0	0	108.8	F214 C217 L218 I393 F394 K395 G396 L428 I474	F214-L430 HydrophobicContact CD1-CD1 3.95Å; F214-L430 HydrophobicContact CD1-CD2 4.22Å; F214-L430 HydrophobicContact CE1-CD1 4.28Å; C217-L430 HydrophobicContact CB-CD1 4.39Å; L218-L430 HydrophobicContact CD1-CB 4.06Å; L218-L430 HydrophobicContact CD1-CD2 4.39Å; I393-L430 HydrophobicContact CG2-CD1 3.92Å; I393-L430 HydrophobicContact CG2-CG 4.25Å; F394-L430 PolarHBondContact O-N 3.25Å; K395-L430 HydrophobicContact CD-CB 4.34Å; K395-L430 HydrophobicContact CD-CD1 4.12Å; G396-L430 PolarHBondContact N-O 3.3Å; L428-L430 HydrophobicContact CD1-CD2 4.37Å; L428-L430 HydrophobicContact CD2-CD1 4.23Å; L428-L430 HydrophobicContact CD2-CD2 3.86Å; L428-L430 HydrophobicContact CD2-CG 3.93Å; L428-L430 HydrophobicContact CG-CD2 4.04Å; L428-L430 HydrophobicContact CG-CG 4.12Å; L430-I474 HydrophobicContact CD2-CB 4.3Å; L430-I474 HydrophobicContact CD2-CG1 3.97Å; L430-I474 HydrophobicContact CD2-CG2 3.92Å
431	R	96.1	Very high	96.2	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	132.2	-172	170.6	177.3	-176.5	-143.4	1.1	112.4	D397 Y400 A435 L437 A472 V473	D397-R431 IonicContact OD1-CZ 2.67Å; D397-R431 IonicContact OD1-NE 3.81Å; D397-R431 PolarHBondContact OD1-NE 2.91Å; D397-R431 IonicContact OD1-NH2 2.64Å; D397-R431 PolarHBondContact OD1-NH2 3.16Å; Y400-R431 VanDerWaalsContact CB-CD 3.43Å; Y400-R431 VanDerWaalsContact CD1-CD 3.47Å; Y400-R431 HydrophobicContact CD2-CB 3.99Å; Y400-R431 HydrophobicContact CD2-CG 4.41Å; Y400-R431 HydrophobicContact CG-CB 4.33Å; Y400-R431 HydrophobicContact CG-CG 4.34Å; R431-A435 PolarHBondContact NH2-O 3.45Å; R431-A435 VanDerWaalsContact NH2-O 3.09Å; R431-L437 PolarHBondContact NH1-O 3.07Å; R431-L437 PolarHBondContact NH2-O 3.23Å; R431-L437 VanDerWaalsContact NH2-O 3.13Å; R431-A472 CarbonylContact O-C 3.56Å; R431-A472 WeakPolarHBondContact O-CA 3.19Å; R431-A472 VanDerWaalsContact O-CB 3.29Å; R431-A472 WeakPolarHBondContact O-CB 3.27Å; R431-V473 HydrophobicContact CB-CG2 3.97Å; R431-V473 PolarHBondContact N-O 2.95Å; R431-V473 VanDerWaalsContact N-O 3.1Å; R431-V473 PolarHBondContact O-N 3.14Å
432	T	94.2	Very high	96.3	Very high	1 Å²	1	9.3 Å²	9.3	1%	0.006	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	133.4	152.7	54.4	0	0	0	0	108.8	L218 W219 K434 A472	L218-T432 WeakPolarHBondContact O-CG2 3.39Å; W219-T432 HydrophobicContact CE3-CG2 3.83Å; W219-T432 HydrophobicContact CZ3-CG2 4.02Å; T432-K434 PolarHBondContact O-N 3.13Å; T432-A472 HydrophobicContact CG2-CB 4.34Å
433	I	93.9	Very high	96.2	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	10%	0.102	C	C	.	.			trans	-80.6	108.9	-168.8	-53.9	167.1	0	0	0	108.8	L252 I438 W465 M466 G469 Y471 V473	L252-I433 HydrophobicContact CD1-CD1 3.93Å; I433-I438 HydrophobicContact CD1-CD1 3.51Å; I433-I438 HydrophobicContact CG1-CD1 4.38Å; I433-W465 HydrophobicContact CD1-CH2 4.44Å; I433-W465 HydrophobicContact CD1-CZ3 3.78Å; I433-M466 CarbonylContact C-O 3.49Å; I433-M466 HydrophobicContact CG2-CB 3.89Å; I433-M466 HydrophobicContact CG2-CG 4.22Å; I433-M466 WeakPolarHBondContact CG2-O 3.21Å; I433-M466 CarbonylContact O-C 3.59Å; I433-G469 WeakPolarHBondContact O-CA 3.43Å; I433-G469 PolarHBondContact O-N 3.46Å; I433-Y471 WeakPolarHBondContact CG1-O 3.45Å; I433-Y471 PolarHBondContact N-O 2.81Å; I433-V473 HydrophobicContact CD1-CG1 4.25Å
434	K	92.2	Very high	96.1	Very high	23 Å²	23	14 Å²	14	10%	0.1	11%	0.109	C	C	.	.			trans	-126	13.3	-179	-61.4	-177.5	178.9	-172.6	0	113.1	F27 N221 S226 D397 T432 M466	F27-K434 VanDerWaalsContact CE1-O 3.24Å; F27-K434 WeakPolarHBondContact CE1-O 3.32Å; N221-K434 PolarHBondContact O-NZ 3.2Å; N221-K434 PolarHBondContact OD1-NZ 2.88Å; S226-K434 PolarHBondContact OG-NZ 3.25Å; D397-K434 HydrophobicContact CB-CB 4.13Å; D397-K434 PolarHBondContact OD1-N 2.78Å; T432-K434 PolarHBondContact O-N 3.13Å; K434-M466 CarbonylContact C-O 3.52Å; K434-M466 VanDerWaalsContact C-O 3.25Å; K434-M466 VanDerWaalsContact CA-O 3.29Å; K434-M466 WeakPolarHBondContact CA-O 3.35Å; K434-M466 PolarHBondContact N-O 3.5Å
435	A	92.4	Very high	96	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	12%	0.12	C	C	.	.	S	Bend	trans	-144.7	151.8	176.4	0	0	0	0	0	110.6	W127 D397 R401 R431 L437 M466	W127-A435 HydrophobicContact CH2-CB 3.97Å; W127-A435 HydrophobicContact CZ3-CB 3.97Å; D397-A435 PolarHBondContact OD1-N 2.68Å; D397-A435 WeakPolarHBondContact OD2-CB 3.49Å; R401-A435 HydrophobicContact CG-CB 4.21Å; R431-A435 PolarHBondContact NH2-O 3.45Å; R431-A435 VanDerWaalsContact NH2-O 3.09Å; A435-L437 PolarHBondContact O-N 2.58Å; A435-M466 PolarHBondContact N-O 2.98Å
436	D	90.5	Very high	95.9	Very high	26 Å²	26	18.9 Å²	18.9	14%	0.139	13%	0.128	C	C	.	.	S	Bend	trans	-75	49.7	-178.3	55.6	-23.7	0	0	0	113	S26 F27 M466 L467	S26-D436 VanDerWaalsContact CA-OD2 3.26Å; S26-D436 WeakPolarHBondContact CA-OD2 3.34Å; F27-D436 HydrophobicContact CB-CB 4.49Å; F27-D436 WeakPolarHBondContact CB-OD1 3.48Å; F27-D436 PolarHBondContact N-OD2 3.2Å; D436-M466 HydrophobicContact CB-CE 4.19Å; D436-L467 HydrophobicContact CB-CD2 4.2Å
437	L	92.9	Very high	95.6	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.01	15%	0.149	C	C	.	.			trans	-142.5	130.8	-179.6	176.5	64.8	0	0	0	108.5	L19 R401 L404 I407 V409 R431 A435	L19-L437 HydrophobicContact CD1-CB 4.17Å; R401-L437 HydrophobicContact CG-CD2 4.45Å; L404-L437 HydrophobicContact CB-CD1 4.41Å; L404-L437 HydrophobicContact CB-CD2 3.61Å; L404-L437 HydrophobicContact CB-CG 4.28Å; L404-L437 HydrophobicContact CD2-CD1 3.91Å; L404-L437 HydrophobicContact CD2-CD2 3.99Å; L404-L437 HydrophobicContact CD2-CG 3.77Å; L404-L437 HydrophobicContact CG-CD2 4.46Å; I407-L437 WeakPolarHBondContact O-CD1 3.39Å; V409-L437 HydrophobicContact CG2-CD1 4.23Å; R431-L437 PolarHBondContact NH1-O 3.07Å; R431-L437 PolarHBondContact NH2-O 3.23Å; R431-L437 VanDerWaalsContact NH2-O 3.13Å; A435-L437 PolarHBondContact O-N 2.58Å
438	I	96	Very high	95.3	Very high	4 Å²	4	29.1 Å²	29.1	2%	0.021	18%	0.179	C	C	.	.			trans	-158.7	147.5	172.2	-169.7	157.9	0	0	0	109.8	I433 L441 W465 M466 V473	I433-I438 HydrophobicContact CD1-CD1 3.51Å; I433-I438 HydrophobicContact CG1-CD1 4.38Å; I438-L441 HydrophobicContact CD1-CD1 4.1Å; I438-L441 HydrophobicContact CD1-CD2 3.72Å; I438-L441 HydrophobicContact CD1-CG 4.02Å; I438-L441 HydrophobicContact CG1-CD1 4.47Å; I438-L441 HydrophobicContact CG1-CD2 4.22Å; I438-L441 HydrophobicContact CG1-CG 4.13Å; I438-L441 HydrophobicContact CG2-CD1 4.17Å; I438-W465 HydrophobicContact CD1-CH2 4.39Å; I438-M466 HydrophobicContact CG2-SD 4.24Å; I438-V473 HydrophobicContact CD1-CG1 4.02Å
439	A	97.5	Very high	95	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.182	C	C	.	.			trans	-132.5	166.4	171.9	0	0	0	0	0	109.7	Y400 L404 V409 S411 A418 L441 Q475	Y400-A439 PolarHBondContact OH-N 3.13Å; L404-A439 HydrophobicContact CD2-CB 3.86Å; V409-A439 HydrophobicContact CG2-CB 4.03Å; S411-A439 CarbonylContact O-C 3.55Å; A418-A439 HydrophobicContact CB-CB 3.64Å; A439-L441 PolarHBondContact O-N 2.9Å; A439-Q475 PolarHBondContact O-NE2 3.34Å
440	G	97.9	Very high	94.7	Very high	20 Å²	20	31.5 Å²	31.5	21%	0.206	19%	0.19	C	C	.	.			trans	74.5	18.5	172.3	0	0	0	0	0	116	V253 S411 L413	V253-G440 WeakPolarHBondContact CG2-O 3.24Å; S411-G440 PolarHBondContact O-N 3.48Å; S411-G440 VanDerWaalsContact O-N 3.07Å; L413-G440 WeakPolarHBondContact O-CA 3.41Å; L413-G440 PolarHBondContact O-N 3.04Å
441	L	97.9	Very high	94.2	Very high	6 Å²	6	38.5 Å²	38.5	3%	0.031	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-74.4	153	169.2	-62.1	-169	0	0	0	111.2	L252 V253 S411 T412 I438 A439 Q445 R446	L252-L441 HydrophobicContact CB-CD2 4Å; L252-L441 HydrophobicContact CD1-CD2 4.41Å; V253-L441 HydrophobicContact CG2-CD2 3.65Å; S411-L441 WeakPolarHBondContact O-CB 3.47Å; S411-L441 PolarHBondContact O-N 2.89Å; T412-L441 WeakPolarHBondContact CA-O 3.38Å; I438-L441 HydrophobicContact CD1-CD1 4.1Å; I438-L441 HydrophobicContact CD1-CD2 3.72Å; I438-L441 HydrophobicContact CD1-CG 4.02Å; I438-L441 HydrophobicContact CG1-CD1 4.47Å; I438-L441 HydrophobicContact CG1-CD2 4.22Å; I438-L441 HydrophobicContact CG1-CG 4.13Å; I438-L441 HydrophobicContact CG2-CD1 4.17Å; A439-L441 PolarHBondContact O-N 2.9Å; L441-Q445 HydrophobicContact CB-CB 4.33Å; L441-R446 HydrophobicContact CD1-CB 4Å
442	A	97.6	Very high	93.9	Very high	61 Å²	61	43.1 Å²	43.1	50%	0.504	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-69.9	154	168.4	0	0	0	0	0	111.2	G444 Q445	A442-G444 PolarHBondContact O-N 2.72Å; A442-Q445 HydrophobicContact CB-CB 4.23Å; A442-Q445 WeakPolarHBondContact O-CB 3.11Å; A442-Q445 PolarHBondContact O-N 2.99Å
443	A	97.1	Very high	93.6	Very high	94 Å²	94	43.7 Å²	43.7	78%	0.777	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.1	131.7	174.6	0	0	0	0	0	111	Q445	A443-Q445 PolarHBondContact O-N 3.01Å
444	G	95.3	Very high	93.2	Very high	34 Å²	34	46.6 Å²	46.6	35%	0.351	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.3	-11.7	-177.1	0	0	0	0	0	115	A442 E447 L448	A442-G444 PolarHBondContact O-N 2.72Å; G444-E447 WeakPolarHBondContact CA-OE2 3.37Å; G444-E447 PolarHBondContact O-N 3.3Å; G444-L448 WeakPolarHBondContact O-CB 3.29Å; G444-L448 VanDerWaalsContact O-CG 3.27Å; G444-L448 WeakPolarHBondContact O-CG 3.41Å; G444-L448 PolarHBondContact O-N 3.15Å
445	Q	95.6	Very high	92.9	Very high	46 Å²	46	50 Å²	50	22%	0.215	28%	0.275	C	S	.	.	H	α-helix	trans	-68.7	-37.5	-174.7	-171.8	177.2	22.4	0	0	112.2	L252 L441 A442 A443 L448 V449	L252-Q445 PolarHBondContact O-NE2 2.87Å; L441-Q445 HydrophobicContact CB-CB 4.33Å; A442-Q445 HydrophobicContact CB-CB 4.23Å; A442-Q445 WeakPolarHBondContact O-CB 3.11Å; A442-Q445 PolarHBondContact O-N 2.99Å; A443-Q445 PolarHBondContact O-N 3.01Å; Q445-L448 PolarHBondContact O-N 3.19Å; Q445-V449 WeakPolarHBondContact O-CG2 3.48Å; Q445-V449 PolarHBondContact O-N 2.75Å; Q445-V449 VanDerWaalsContact O-N 3.09Å
446	R	94	Very high	92.4	Very high	66 Å²	66	55.2 Å²	55.2	25%	0.249	30%	0.301	C	S	.	.	H	α-helix	trans	-60.4	-50.4	175.7	174.8	173.1	178.1	166.2	-1.3	110.5	S411 L441 L448 V449 E450 W465	S411-R446 WeakPolarHBondContact OG-CD 3.36Å; L441-R446 HydrophobicContact CD1-CB 4Å; R446-L448 VanDerWaalsContact C-N 3.3Å; R446-L448 PolarHBondContact O-N 3.35Å; R446-V449 PolarHBondContact O-N 3.47Å; R446-V449 VanDerWaalsContact O-N 3.16Å; R446-E450 HydrophobicContact CG-CG 4.36Å; R446-E450 IonicContact CZ-OE1 3.88Å; R446-E450 IonicContact NE-OE1 2.8Å; R446-E450 PolarHBondContact NE-OE1 2.89Å; R446-E450 IonicContact NH2-OE1 3.94Å; R446-E450 VanDerWaalsContact O-CG 3.29Å; R446-E450 WeakPolarHBondContact O-CG 3.21Å; R446-E450 PolarHBondContact O-N 3.45Å; R446-W465 HydrophobicContact CG-CZ2 4.38Å
447	E	92.8	Very high	91.8	Very high	105 Å²	105	56.8 Å²	56.8	49%	0.491	31%	0.314	S	S	.	.	H	α-helix	trans	-62.6	-38.7	-178	-62.9	76.2	-172.7	0	0	111.1	G444 E450 Y451	G444-E447 WeakPolarHBondContact CA-OE2 3.37Å; G444-E447 PolarHBondContact O-N 3.3Å; E447-E450 PolarHBondContact O-N 3.15Å; E447-Y451 VanDerWaalsContact O-CB 3.22Å; E447-Y451 WeakPolarHBondContact O-CB 3.38Å; E447-Y451 PolarHBondContact O-N 3.16Å
448	L	92.6	Very high	91	Very high	120 Å²	120	67.7 Å²	67.7	63%	0.628	36%	0.355	S	S	*	.	H	α-helix	trans	-62.4	-44.5	174.1	-75.7	170.7	0	0	0	112.3	G444 Q445 R446 Y451 F452	G444-L448 WeakPolarHBondContact O-CB 3.29Å; G444-L448 VanDerWaalsContact O-CG 3.27Å; G444-L448 WeakPolarHBondContact O-CG 3.41Å; G444-L448 PolarHBondContact O-N 3.15Å; Q445-L448 PolarHBondContact O-N 3.19Å; R446-L448 VanDerWaalsContact C-N 3.3Å; R446-L448 PolarHBondContact O-N 3.35Å; L448-Y451 PolarHBondContact O-N 3.02Å; L448-F452 VanDerWaalsContact O-CB 3.29Å; L448-F452 WeakPolarHBondContact O-CB 3.46Å; L448-F452 PolarHBondContact O-N 3.24Å
449	V	92.6	Very high	89.6	Confident	12 Å²	12	69.2 Å²	69.2	7%	0.073	37%	0.368	C	S	.	.	H	α-helix	trans	-64.2	-45.9	176.4	173.8	0	0	0	0	110.3	L252 Q445 R446 Y451 F452 N453 W465 Y471	L252-V449 HydrophobicContact CD1-CG2 4.16Å; L252-V449 HydrophobicContact CD2-CG2 3.58Å; Q445-V449 WeakPolarHBondContact O-CG2 3.48Å; Q445-V449 PolarHBondContact O-N 2.75Å; Q445-V449 VanDerWaalsContact O-N 3.09Å; R446-V449 PolarHBondContact O-N 3.47Å; R446-V449 VanDerWaalsContact O-N 3.16Å; V449-Y451 PolarHBondContact O-N 3.13Å; V449-F452 PolarHBondContact O-N 3.45Å; V449-N453 VanDerWaalsContact CG1-ND2 3.34Å; V449-N453 WeakPolarHBondContact CG1-ND2 3.31Å; V449-N453 PolarHBondContact O-N 2.93Å; V449-N453 PolarHBondContact O-ND2 3.24Å; V449-W465 HydrophobicContact CG1-CD2 3.54Å; V449-W465 HydrophobicContact CG1-CE3 3.67Å; V449-W465 HydrophobicContact CG1-CG 3.99Å; V449-W465 HydrophobicContact CG1-CH2 4.3Å; V449-W465 HydrophobicContact CG1-CZ2 4.2Å; V449-W465 HydrophobicContact CG1-CZ3 4.05Å; V449-Y471 HydrophobicContact CG1-CD1 4.25Å; V449-Y471 HydrophobicContact CG1-CD2 4.43Å; V449-Y471 HydrophobicContact CG1-CE1 3.84Å; V449-Y471 HydrophobicContact CG1-CE2 4.07Å
450	E	91.3	Very high	87.8	Confident	39 Å²	39	79.3 Å²	79.3	18%	0.182	41%	0.412	C	S	.	.	H	α-helix	trans	-58.6	-46.2	177.1	-69.9	176.6	167.5	0	0	111.6	R446 E447 N453 L454 N462 W465	R446-E450 HydrophobicContact CG-CG 4.36Å; R446-E450 IonicContact CZ-OE1 3.88Å; R446-E450 IonicContact NE-OE1 2.8Å; R446-E450 PolarHBondContact NE-OE1 2.89Å; R446-E450 IonicContact NH2-OE1 3.94Å; R446-E450 VanDerWaalsContact O-CG 3.29Å; R446-E450 WeakPolarHBondContact O-CG 3.21Å; R446-E450 PolarHBondContact O-N 3.45Å; E447-E450 PolarHBondContact O-N 3.15Å; E450-N453 PolarHBondContact O-N 3.38Å; E450-L454 WeakPolarHBondContact O-CB 3.49Å; E450-L454 PolarHBondContact O-N 3.41Å; E450-N462 VanDerWaalsContact CG-ND2 3.33Å; E450-N462 WeakPolarHBondContact CG-ND2 3.5Å; E450-N462 PolarHBondContact OE1-ND2 2.75Å; E450-N462 VanDerWaalsContact OE1-ND2 3.16Å; E450-W465 VanDerWaalsContact CG-NE1 3.25Å
451	Y	88.8	Confident	86	Confident	150 Å²	150	83.4 Å²	83.4	59%	0.588	43%	0.434	S	S	*	.	H	α-helix	trans	-62.8	-45.2	176.6	-180	-105.7	0	0	0	112.5	E447 L448 V449 N453 L454 I455	E447-Y451 VanDerWaalsContact O-CB 3.22Å; E447-Y451 WeakPolarHBondContact O-CB 3.38Å; E447-Y451 PolarHBondContact O-N 3.16Å; L448-Y451 PolarHBondContact O-N 3.02Å; V449-Y451 PolarHBondContact O-N 3.13Å; Y451-N453 PolarHBondContact O-N 3.4Å; Y451-L454 WeakPolarHBondContact O-CB 3.31Å; Y451-L454 PolarHBondContact O-N 3.03Å; Y451-I455 HydrophobicContact CD1-CD1 3.76Å; Y451-I455 HydrophobicContact CE1-CD1 3.24Å; Y451-I455 HydrophobicContact CE1-CG1 4.36Å; Y451-I455 HydrophobicContact CE2-CD1 4.18Å; Y451-I455 HydrophobicContact CG-CD1 4.43Å; Y451-I455 VanDerWaalsContact CZ-CD1 3.48Å; Y451-I455 WeakPolarHBondContact O-CG1 3.38Å; Y451-I455 PolarHBondContact O-N 2.81Å; Y451-I455 VanDerWaalsContact O-N 3.11Å
452	F	88.3	Confident	84.3	Confident	97 Å²	97	86.8 Å²	86.8	43%	0.425	45%	0.452	S	S	.	.	H	α-helix	trans	-60.1	-47.1	178.3	176.8	-105.5	0	0	0	112	L448 V449 L454 I455 I456	L448-F452 VanDerWaalsContact O-CB 3.29Å; L448-F452 WeakPolarHBondContact O-CB 3.46Å; L448-F452 PolarHBondContact O-N 3.24Å; V449-F452 PolarHBondContact O-N 3.45Å; F452-L454 VanDerWaalsContact C-N 3.33Å; F452-L454 PolarHBondContact O-N 2.95Å; F452-I455 PolarHBondContact O-N 2.93Å; F452-I456 HydrophobicContact CD1-CD1 3.97Å; F452-I456 HydrophobicContact CD2-CD1 4.23Å; F452-I456 HydrophobicContact CE1-CD1 3.34Å; F452-I456 HydrophobicContact CE2-CD1 3.63Å; F452-I456 HydrophobicContact CE2-CG1 4.42Å; F452-I456 HydrophobicContact CG-CD1 4.39Å; F452-I456 HydrophobicContact CZ-CD1 3.16Å; F452-I456 HydrophobicContact CZ-CG1 4.35Å; F452-I456 PolarHBondContact O-N 3.2Å; F452-I456 VanDerWaalsContact O-N 3.12Å
453	N	87.9	Confident	82.4	Confident	12 Å²	12	85.4 Å²	85.4	6%	0.064	44%	0.437	C	S	.	.	H	α-helix	trans	-68.1	-33.1	178.7	-69.7	-77.5	0	0	0	112.1	V449 E450 Y451 I455 I456 S457 P463 Y471	V449-N453 VanDerWaalsContact CG1-ND2 3.34Å; V449-N453 WeakPolarHBondContact CG1-ND2 3.31Å; V449-N453 PolarHBondContact O-N 2.93Å; V449-N453 PolarHBondContact O-ND2 3.24Å; E450-N453 PolarHBondContact O-N 3.38Å; Y451-N453 PolarHBondContact O-N 3.4Å; N453-I455 VanDerWaalsContact C-N 3.33Å; N453-I455 PolarHBondContact O-N 3.29Å; N453-I456 PolarHBondContact O-N 2.99Å; N453-S457 VanDerWaalsContact O-CB 3.31Å; N453-S457 WeakPolarHBondContact O-CB 3.5Å; N453-S457 PolarHBondContact O-N 3.48Å; N453-S457 PolarHBondContact O-OG 2.9Å; N453-P463 HydrophobicContact CB-CB 4.26Å; N453-P463 HydrophobicContact CB-CG 3.16Å; N453-Y471 WeakPolarHBondContact ND2-CE2 3.4Å; N453-Y471 PolarHBondContact ND2-OH 2.92Å; N453-Y471 PolarHBondContact OD1-OH 3.48Å
454	L	85.9	Confident	81.6	Confident	61 Å²	61	87.1 Å²	87.1	32%	0.319	43%	0.427	S	S	.	.	H	α-helix	trans	-59.3	-44.6	173.6	-170.1	82.7	0	0	0	111.2	E450 Y451 F452 S457 R458 A459	E450-L454 WeakPolarHBondContact O-CB 3.49Å; E450-L454 PolarHBondContact O-N 3.41Å; Y451-L454 WeakPolarHBondContact O-CB 3.31Å; Y451-L454 PolarHBondContact O-N 3.03Å; F452-L454 VanDerWaalsContact C-N 3.33Å; F452-L454 PolarHBondContact O-N 2.95Å; L454-S457 PolarHBondContact O-OG 3.18Å; L454-R458 PolarHBondContact O-N 3.38Å; L454-A459 WeakPolarHBondContact CD1-O 2.92Å
455	I	85.2	Confident	81.2	Confident	96 Å²	96	85.7 Å²	85.7	49%	0.492	41%	0.411	S	S	.	.	H	α-helix	trans	-63	-50.6	178.2	-69.1	166.7	0	0	0	111.2	Y451 F452 N453 R458	Y451-I455 HydrophobicContact CD1-CD1 3.76Å; Y451-I455 HydrophobicContact CE1-CD1 3.24Å; Y451-I455 HydrophobicContact CE1-CG1 4.36Å; Y451-I455 HydrophobicContact CE2-CD1 4.18Å; Y451-I455 HydrophobicContact CG-CD1 4.43Å; Y451-I455 VanDerWaalsContact CZ-CD1 3.48Å; Y451-I455 WeakPolarHBondContact O-CG1 3.38Å; Y451-I455 PolarHBondContact O-N 2.81Å; Y451-I455 VanDerWaalsContact O-N 3.11Å; F452-I455 PolarHBondContact O-N 2.93Å; N453-I455 VanDerWaalsContact C-N 3.33Å; N453-I455 PolarHBondContact O-N 3.29Å; I455-R458 PolarHBondContact O-N 3.41Å
456	I	82.1	Confident	81	Confident	109 Å²	109	84.6 Å²	84.6	56%	0.559	41%	0.406	S	S	*	.	H	α-helix	trans	-65.9	-45.5	-174.6	-70.3	-179	0	0	0	111.4	F452 N453 R458	F452-I456 HydrophobicContact CD1-CD1 3.97Å; F452-I456 HydrophobicContact CD2-CD1 4.23Å; F452-I456 HydrophobicContact CE1-CD1 3.34Å; F452-I456 HydrophobicContact CE2-CD1 3.63Å; F452-I456 HydrophobicContact CE2-CG1 4.42Å; F452-I456 HydrophobicContact CG-CD1 4.39Å; F452-I456 HydrophobicContact CZ-CD1 3.16Å; F452-I456 HydrophobicContact CZ-CG1 4.35Å; F452-I456 PolarHBondContact O-N 3.2Å; F452-I456 VanDerWaalsContact O-N 3.12Å; N453-I456 PolarHBondContact O-N 2.99Å; I456-R458 PolarHBondContact O-N 3.41Å
457	S	79.4	Confident	80.8	Confident	59 Å²	59	82.8 Å²	82.8	41%	0.413	40%	0.402	S	S	.	.	H	α-helix	trans	-73.7	-13.7	-178	62.7	0	0	0	0	113.5	N453 L454 A459	N453-S457 VanDerWaalsContact O-CB 3.31Å; N453-S457 WeakPolarHBondContact O-CB 3.5Å; N453-S457 PolarHBondContact O-N 3.48Å; N453-S457 PolarHBondContact O-OG 2.9Å; L454-S457 PolarHBondContact O-OG 3.18Å; S457-A459 PolarHBondContact O-N 3.28Å; S457-A459 WeakPolarHBondContact OG-CB 2.91Å; S457-A459 PolarHBondContact OG-N 3.07Å
458	R	75.3	Confident	80.4	Confident	231 Å²	231	79.8 Å²	79.8	87%	0.872	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	23.5	-167.5	-56.3	180	177.1	178.6	-1.1	112.5	L454 I455 I456	L454-R458 PolarHBondContact O-N 3.38Å; I455-R458 PolarHBondContact O-N 3.41Å; I456-R458 PolarHBondContact O-N 3.41Å
459	A	66.9	Low	80.2	Confident	36 Å²	36	74 Å²	74	30%	0.298	36%	0.36	S	S	.	.			trans	-75.7	151.2	-178.6	0	0	0	0	0	110.5	L454 S457 T461	L454-A459 WeakPolarHBondContact CD1-O 2.92Å; S457-A459 PolarHBondContact O-N 3.28Å; S457-A459 WeakPolarHBondContact OG-CB 2.91Å; S457-A459 PolarHBondContact OG-N 3.07Å; A459-T461 VanDerWaalsContact C-N 3.31Å
460	K	59.8	Low	80	Confident	211 Å²	211	76.7 Å²	76.7	92%	0.917	37%	0.372	S	S	*	.	S	Bend	trans	-82.3	-10	174.2	-69.9	-172.3	176.5	-175.9	0	113.5
461	T	60.7	Low	80.1	Confident	107 Å²	107	75.2 Å²	75.2	66%	0.656	37%	0.365	S	S	*	.	S	Bend	trans	-135.9	149.6	-174.5	51.9	0	0	0	0	109.4	A459 P463	A459-T461 VanDerWaalsContact C-N 3.31Å; T461-P463 WeakPolarHBondContact O-CD 3.34Å
462	N	60.2	Low	80.4	Confident	77 Å²	77	68 Å²	68	41%	0.412	34%	0.337	S	S	.	.			trans	-47.4	113.9	178.9	-172.6	-2.2	0	0	0	109.8	E450	E450-N462 VanDerWaalsContact CG-ND2 3.33Å; E450-N462 WeakPolarHBondContact CG-ND2 3.5Å; E450-N462 PolarHBondContact OE1-ND2 2.75Å; E450-N462 VanDerWaalsContact OE1-ND2 3.16Å
463	P	59.2	Low	80.9	Confident	31 Å²	31	63.4 Å²	63.4	20%	0.201	32%	0.316	C	S	.	.			trans	-62.4	142.6	175.5	24.4	-30.7	0	0	0	108	N453 T461 W465	N453-P463 HydrophobicContact CB-CB 4.26Å; N453-P463 HydrophobicContact CB-CG 3.16Å; T461-P463 WeakPolarHBondContact O-CD 3.34Å; P463-W465 PolarHBondContact O-N 3.48Å
464	K	79.2	Confident	81.4	Confident	131 Å²	131	62.9 Å²	62.9	57%	0.57	31%	0.313	S	S	*	.			trans	-66.6	51.5	179.8	-71.3	170.6	162.5	-167.7	0	111.5	M466 L467 T468	K464-M466 PolarHBondContact O-N 2.96Å; K464-M466 VanDerWaalsContact O-N 3.17Å; K464-L467 HydrophobicContact CB-CB 4.13Å; K464-L467 HydrophobicContact CB-CD1 3.85Å; K464-L467 HydrophobicContact CB-CG 4.02Å; K464-L467 HydrophobicContact CD-CD1 3.95Å; K464-L467 HydrophobicContact CG-CD1 4Å; K464-L467 WeakPolarHBondContact O-CA 3.26Å; K464-L467 WeakPolarHBondContact O-CB 3.41Å; K464-L467 PolarHBondContact O-N 2.78Å; K464-T468 WeakPolarHBondContact O-CG2 3.38Å
465	W	87.9	Confident	82	Confident	3 Å²	3	60 Å²	60	1%	0.011	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-57.7	-35.4	-169.3	70.3	-95.2	0	0	0	111.3	L252 I433 I438 R446 V449 E450 P463 L467 T468 Y471	L252-W465 HydrophobicContact CD1-CH2 3.75Å; L252-W465 HydrophobicContact CD1-CZ3 3.5Å; I433-W465 HydrophobicContact CD1-CH2 4.44Å; I433-W465 HydrophobicContact CD1-CZ3 3.78Å; I438-W465 HydrophobicContact CD1-CH2 4.39Å; R446-W465 HydrophobicContact CG-CZ2 4.38Å; V449-W465 HydrophobicContact CG1-CD2 3.54Å; V449-W465 HydrophobicContact CG1-CE3 3.67Å; V449-W465 HydrophobicContact CG1-CG 3.99Å; V449-W465 HydrophobicContact CG1-CH2 4.3Å; V449-W465 HydrophobicContact CG1-CZ2 4.2Å; V449-W465 HydrophobicContact CG1-CZ3 4.05Å; E450-W465 VanDerWaalsContact CG-NE1 3.25Å; P463-W465 PolarHBondContact O-N 3.48Å; W465-L467 PolarHBondContact O-N 3.48Å; W465-T468 PolarHBondContact O-N 2.92Å; W465-T468 PolarHBondContact O-OG1 2.96Å; W465-Y471 HydrophobicContact CB-CD2 4.31Å; W465-Y471 HydrophobicContact CB-CE2 4Å; W465-Y471 HydrophobicContact CD2-CD2 4.43Å; W465-Y471 AromaticContact CE3-CD2 3.55Å; W465-Y471 HydrophobicContact CE3-CD2 3.55Å; W465-Y471 HydrophobicContact CE3-CE2 4.16Å; W465-Y471 AromaticContact CE3-CG 3.92Å; W465-Y471 HydrophobicContact CE3-CG 3.92Å; W465-Y471 HydrophobicContact CZ3-CD2 4.27Å; W465-Y471 HydrophobicContact CZ3-CG 4.18Å
466	M	91	Very high	82.6	Confident	23 Å²	23	56.2 Å²	56.2	11%	0.113	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-66.2	-10.7	173.8	-64.3	-171.7	-75.1	0	0	114.3	I433 K434 A435 D436 I438 K464	I433-M466 CarbonylContact C-O 3.49Å; I433-M466 HydrophobicContact CG2-CB 3.89Å; I433-M466 HydrophobicContact CG2-CG 4.22Å; I433-M466 WeakPolarHBondContact CG2-O 3.21Å; I433-M466 CarbonylContact O-C 3.59Å; K434-M466 CarbonylContact C-O 3.52Å; K434-M466 VanDerWaalsContact C-O 3.25Å; K434-M466 VanDerWaalsContact CA-O 3.29Å; K434-M466 WeakPolarHBondContact CA-O 3.35Å; K434-M466 PolarHBondContact N-O 3.5Å; A435-M466 PolarHBondContact N-O 2.98Å; D436-M466 HydrophobicContact CB-CE 4.19Å; I438-M466 HydrophobicContact CG2-SD 4.24Å; K464-M466 PolarHBondContact O-N 2.96Å; K464-M466 VanDerWaalsContact O-N 3.17Å
467	L	89	Confident	83.4	Confident	29 Å²	29	52.7 Å²	52.7	15%	0.152	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-109.8	-2.5	-176.4	-48.7	-174.1	0	0	0	112.3	F27 L227 D436 K464 W465	F27-L467 HydrophobicContact CB-CD1 3.89Å; F27-L467 HydrophobicContact CB-CD2 3.67Å; F27-L467 HydrophobicContact CB-CG 4.48Å; F27-L467 HydrophobicContact CD1-CD2 3.72Å; F27-L467 HydrophobicContact CD2-CD1 3.56Å; F27-L467 HydrophobicContact CD2-CD2 4.16Å; F27-L467 HydrophobicContact CD2-CG 4.39Å; F27-L467 HydrophobicContact CE1-CD2 4.34Å; F27-L467 HydrophobicContact CE2-CD1 4.17Å; F27-L467 HydrophobicContact CG-CD1 3.79Å; F27-L467 HydrophobicContact CG-CD2 3.6Å; F27-L467 HydrophobicContact CG-CG 4.3Å; L227-L467 WeakPolarHBondContact CD2-O 3.42Å; D436-L467 HydrophobicContact CB-CD2 4.2Å; K464-L467 HydrophobicContact CB-CB 4.13Å; K464-L467 HydrophobicContact CB-CD1 3.85Å; K464-L467 HydrophobicContact CB-CG 4.02Å; K464-L467 HydrophobicContact CD-CD1 3.95Å; K464-L467 HydrophobicContact CG-CD1 4Å; K464-L467 WeakPolarHBondContact O-CA 3.26Å; K464-L467 WeakPolarHBondContact O-CB 3.41Å; K464-L467 PolarHBondContact O-N 2.78Å; W465-L467 PolarHBondContact O-N 3.48Å
468	T	85.3	Confident	84.2	Confident	41 Å²	41	54.1 Å²	54.1	25%	0.252	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-8.9	-172.2	61.8	0	0	0	0	113.5	L227 K464 W465 E470	L227-T468 WeakPolarHBondContact CD1-O 3.46Å; L227-T468 WeakPolarHBondContact CD2-O 3.38Å; K464-T468 WeakPolarHBondContact O-CG2 3.38Å; W465-T468 PolarHBondContact O-N 2.92Å; W465-T468 PolarHBondContact O-OG1 2.96Å; T468-E470 PolarHBondContact O-N 3.19Å; T468-E470 VanDerWaalsContact O-N 3.1Å; T468-E470 WeakPolarHBondContact OG1-CB 3.4Å; T468-E470 VanDerWaalsContact OG1-CG 3.24Å; T468-E470 WeakPolarHBondContact OG1-CG 3.41Å; T468-E470 PolarHBondContact OG1-N 2.94Å
469	G	88.6	Confident	85.1	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	12.2	-167.4	0	0	0	0	0	113.3	R222 I433	R222-G469 WeakPolarHBondContact CG-O 3.25Å; R222-G469 PolarHBondContact NE-O 3.16Å; I433-G469 WeakPolarHBondContact O-CA 3.43Å; I433-G469 PolarHBondContact O-N 3.46Å
470	E	88.3	Confident	85.9	Confident	68 Å²	68	47.6 Å²	47.6	32%	0.318	24%	0.241	S	C	.	.			trans	-73.3	-35	-173.1	-76.7	-179	154.5	0	0	113	R222 T468	R222-E470 VanDerWaalsContact CZ-CA 3.41Å; R222-E470 VanDerWaalsContact NH2-C 3.26Å; R222-E470 VanDerWaalsContact NH2-CB 3.27Å; R222-E470 PolarHBondContact NH2-O 3.39Å; T468-E470 PolarHBondContact O-N 3.19Å; T468-E470 VanDerWaalsContact O-N 3.1Å; T468-E470 WeakPolarHBondContact OG1-CB 3.4Å; T468-E470 VanDerWaalsContact OG1-CG 3.24Å; T468-E470 WeakPolarHBondContact OG1-CG 3.41Å; T468-E470 PolarHBondContact OG1-N 2.94Å
471	Y	93.7	Very high	86.3	Confident	7 Å²	7	45.4 Å²	45.4	3%	0.027	24%	0.24	C	C	.	.	S	Bend	trans	-104.9	155.8	-177.5	-62.7	-89.3	0	0	0	109.6	F250 L252 I433 V449 N453 W465	F250-Y471 HydrophobicContact CB-CD1 4.32Å; F250-Y471 HydrophobicContact CD1-CD1 4.05Å; F250-Y471 AromaticContact CD1-CE1 3.7Å; F250-Y471 HydrophobicContact CD1-CE1 3.7Å; F250-Y471 HydrophobicContact CE1-CE1 4.36Å; F250-Y471 WeakPolarHBondContact O-CA 3.39Å; L252-Y471 HydrophobicContact CD1-CD1 4.15Å; L252-Y471 HydrophobicContact CD1-CG 4.25Å; L252-Y471 HydrophobicContact CD2-CD1 3.67Å; L252-Y471 HydrophobicContact CD2-CE1 4.29Å; L252-Y471 HydrophobicContact CG-CD1 3.97Å; L252-Y471 HydrophobicContact CG-CG 4.42Å; I433-Y471 WeakPolarHBondContact CG1-O 3.45Å; I433-Y471 PolarHBondContact N-O 2.81Å; V449-Y471 HydrophobicContact CG1-CD1 4.25Å; V449-Y471 HydrophobicContact CG1-CD2 4.43Å; V449-Y471 HydrophobicContact CG1-CE1 3.84Å; V449-Y471 HydrophobicContact CG1-CE2 4.07Å; N453-Y471 WeakPolarHBondContact ND2-CE2 3.4Å; N453-Y471 PolarHBondContact ND2-OH 2.92Å; N453-Y471 PolarHBondContact OD1-OH 3.48Å; W465-Y471 HydrophobicContact CB-CD2 4.31Å; W465-Y471 HydrophobicContact CB-CE2 4Å; W465-Y471 HydrophobicContact CD2-CD2 4.43Å; W465-Y471 AromaticContact CE3-CD2 3.55Å; W465-Y471 HydrophobicContact CE3-CD2 3.55Å; W465-Y471 HydrophobicContact CE3-CE2 4.16Å; W465-Y471 AromaticContact CE3-CG 3.92Å; W465-Y471 HydrophobicContact CE3-CG 3.92Å; W465-Y471 HydrophobicContact CZ3-CD2 4.27Å; W465-Y471 HydrophobicContact CZ3-CG 4.18Å
472	A	95.7	Very high	85.4	Confident	0 Å²	0	53 Å²	53	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	162.8	-178.8	0	0	0	0	0	111.9	L218 W219 F250 I251 L252 R431 T432	L218-A472 HydrophobicContact CD1-CB 4.04Å; L218-A472 HydrophobicContact CD2-CB 3.69Å; L218-A472 HydrophobicContact CG-CB 3.88Å; W219-A472 HydrophobicContact CE3-CB 4.41Å; W219-A472 HydrophobicContact CH2-CB 3.41Å; W219-A472 VanDerWaalsContact CH2-CB 3.41Å; W219-A472 HydrophobicContact CZ2-CB 3.82Å; W219-A472 HydrophobicContact CZ3-CB 3.73Å; F250-A472 PolarHBondContact O-N 2.92Å; I251-A472 CarbonylContact C-O 3.57Å; I251-A472 WeakPolarHBondContact CA-O 3.35Å; L252-A472 PolarHBondContact N-O 3.03Å; R431-A472 CarbonylContact O-C 3.56Å; R431-A472 WeakPolarHBondContact O-CA 3.19Å; R431-A472 VanDerWaalsContact O-CB 3.29Å; R431-A472 WeakPolarHBondContact O-CB 3.27Å; T432-A472 HydrophobicContact CG2-CB 4.34Å
473	V	97.7	Very high	86.7	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	142.9	172.1	-64	0	0	0	0	110.6	L252 V253 Y400 R431 I433 I438 Q475	L252-V473 HydrophobicContact CB-CG1 4.29Å; V253-V473 HydrophobicContact CB-CB 4.13Å; V253-V473 HydrophobicContact CB-CG1 3.97Å; V253-V473 HydrophobicContact CG2-CG1 3.96Å; Y400-V473 HydrophobicContact CE2-CG2 3.95Å; R431-V473 HydrophobicContact CB-CG2 3.97Å; R431-V473 PolarHBondContact N-O 2.95Å; R431-V473 VanDerWaalsContact N-O 3.1Å; R431-V473 PolarHBondContact O-N 3.14Å; I433-V473 HydrophobicContact CD1-CG1 4.25Å; I438-V473 HydrophobicContact CD1-CG1 4.02Å; V473-Q475 HydrophobicContact CB-CG 4Å; V473-Q475 HydrophobicContact CG2-CG 4.19Å
474	I	98.3	Very high	88.1	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	94.5	169.1	-58.2	178.6	0	0	0	105.4	W211 L218 I251 V253 H255 L428 L430	W211-I474 HydrophobicContact CH2-CD1 3.76Å; W211-I474 HydrophobicContact CZ3-CD1 3.49Å; W211-I474 VanDerWaalsContact CZ3-CD1 3.49Å; L218-I474 HydrophobicContact CD1-CG1 4.28Å; L218-I474 HydrophobicContact CD2-CD1 3.93Å; L218-I474 HydrophobicContact CD2-CG1 3.73Å; I251-I474 HydrophobicContact CD1-CD1 4.3Å; I251-I474 HydrophobicContact CG2-CD1 4.28Å; I251-I474 HydrophobicContact CG2-CG1 4.16Å; V253-I474 PolarHBondContact O-N 3.32Å; H255-I474 PolarHBondContact N-O 3.47Å; L428-I474 HydrophobicContact CD1-CG2 3.79Å; L430-I474 HydrophobicContact CD2-CB 4.3Å; L430-I474 HydrophobicContact CD2-CG1 3.97Å; L430-I474 HydrophobicContact CD2-CG2 3.92Å
475	Q	98.4	Very high	88.6	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	117.3	-175.8	-65.6	-171.8	-58.4	0	0	110.7	V253 Y400 F415 L428 A429 A439 V473	V253-Q475 HydrophobicContact CB-CG 4.05Å; V253-Q475 HydrophobicContact CG1-CG 3.78Å; Y400-Q475 VanDerWaalsContact CZ-OE1 3.25Å; Y400-Q475 PolarHBondContact OH-OE1 3.14Å; F415-Q475 HydrophobicContact CD1-CB 3.71Å; F415-Q475 HydrophobicContact CD2-CB 4.11Å; F415-Q475 VanDerWaalsContact CD2-OE1 3.29Å; F415-Q475 HydrophobicContact CE1-CB 3.72Å; F415-Q475 HydrophobicContact CE2-CB 4.13Å; F415-Q475 HydrophobicContact CG-CB 3.9Å; F415-Q475 HydrophobicContact CG-CG 4.47Å; F415-Q475 HydrophobicContact CZ-CB 3.94Å; L428-Q475 CarbonylContact C-O 3.43Å; L428-Q475 WeakPolarHBondContact CA-O 3.34Å; A429-Q475 PolarHBondContact N-O 3.48Å; A429-Q475 PolarHBondContact O-N 3.06Å; A439-Q475 PolarHBondContact O-NE2 3.34Å; V473-Q475 HydrophobicContact CB-CG 4Å; V473-Q475 HydrophobicContact CG2-CG 4.19Å
476	F	98.5	Very high	88.7	Confident	17 Å²	17	51.2 Å²	51.2	8%	0.075	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	139.5	177.7	174.7	-115.4	0	0	0	110.7	H255 E258 L259 L262 L391 L427 L428 E478	H255-F476 HydrophobicContact CB-CB 3.65Å; H255-F476 PolarHBondContact ND1-N 3.13Å; H255-F476 PolarHBondContact ND1-O 3.36Å; E258-F476 HydrophobicContact CB-CD1 3.62Å; E258-F476 HydrophobicContact CB-CE1 4.08Å; L259-F476 HydrophobicContact CB-CD2 4.47Å; L259-F476 HydrophobicContact CB-CG 4.3Å; L259-F476 HydrophobicContact CD1-CD2 4.04Å; L259-F476 HydrophobicContact CD1-CE2 4.25Å; L262-F476 HydrophobicContact CB-CZ 3.91Å; L262-F476 HydrophobicContact CD2-CE2 3.53Å; L262-F476 HydrophobicContact CD2-CZ 3.53Å; L262-F476 HydrophobicContact CG-CZ 4.28Å; L391-F476 HydrophobicContact CD1-CE2 4.17Å; L427-F476 WeakPolarHBondContact O-CA 3.4Å; L427-F476 VanDerWaalsContact O-CD2 3.26Å; L427-F476 WeakPolarHBondContact O-CD2 3.4Å; L428-F476 HydrophobicContact CD1-CB 4.08Å; F476-E478 HydrophobicContact CE1-CB 3.75Å; F476-E478 HydrophobicContact CE1-CG 4.42Å; F476-E478 HydrophobicContact CZ-CB 3.69Å; F476-E478 HydrophobicContact CZ-CG 4.09Å
477	H	98.2	Very high	88.5	Confident	36 Å²	36	52.9 Å²	52.9	17%	0.167	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	115.2	171.2	169.9	69.9	0	0	0	108.5	F415 L419 S423 S426 L427	F415-H477 HydrophobicContact CD1-CB 4.19Å; F415-H477 HydrophobicContact CE1-CB 4.12Å; L419-H477 HydrophobicContact CD1-CB 3.86Å; S423-H477 PolarHBondContact OG-NE2 2.91Å; S423-H477 VanDerWaalsContact OG-NE2 3.08Å; S426-H477 CarbonylContact C-O 3.53Å; S426-H477 VanDerWaalsContact CA-O 3.32Å; S426-H477 WeakPolarHBondContact CA-O 3.31Å; L427-H477 HydrophobicContact CD1-CB 4.07Å; L427-H477 HydrophobicContact CG-CB 4.16Å; L427-H477 PolarHBondContact N-O 3.21Å; L427-H477 PolarHBondContact O-N 3.17Å
478	E	97.2	Very high	88.5	Confident	89 Å²	89	54.5 Å²	54.5	42%	0.416	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-83.8	126.1	174.9	-164.8	170	-168.5	0	0	108.9	K265 F476 A480	K265-E478 IonicContact NZ-OE1 3.27Å; K265-E478 PolarHBondContact NZ-OE1 3.02Å; F476-E478 HydrophobicContact CE1-CB 3.75Å; F476-E478 HydrophobicContact CE1-CG 4.42Å; F476-E478 HydrophobicContact CZ-CB 3.69Å; F476-E478 HydrophobicContact CZ-CG 4.09Å; E478-A480 PolarHBondContact O-N 2.87Å
479	K	94.4	Very high	88.7	Confident	75 Å²	75	55.5 Å²	55.5	33%	0.326	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-67.5	130.5	174.7	177.2	175.7	177.7	-171	0	109.2	P424 S426 N481	P424-K479 WeakPolarHBondContact O-CD 3.47Å; P424-K479 WeakPolarHBondContact O-CE 3.42Å; P424-K479 PolarHBondContact O-NZ 3.22Å; S426-K479 PolarHBondContact OG-N 2.93Å; K479-N481 PolarHBondContact O-N 2.86Å
480	A	82.9	Confident	88.7	Confident	55 Å²	55	59.8 Å²	59.8	46%	0.455	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-63.9	128.3	172.5	0	0	0	0	0	110.2	E478 F482	E478-A480 PolarHBondContact O-N 2.87Å; A480-F482 HydrophobicContact CB-CD2 4.4Å; A480-F482 HydrophobicContact CB-CE2 4.01Å; A480-F482 HydrophobicContact CB-CZ 4.31Å; A480-F482 PolarHBondContact O-N 2.93Å
481	N	69	Low	88.8	Confident	165 Å²	165	59.1 Å²	59.1	88%	0.882	29%	0.292	S	S	*	.			trans	-73.4	106.9	165.7	-66.5	-29.1	0	0	0	107	K479	K479-N481 PolarHBondContact O-N 2.86Å
482	F	41.3	Very low	88.3	Confident	265 Å²	265	63.8 Å²	63.8	100%	1.162	32%	0.317	S	S	*	.			trans	-87.3	0	168.8	-74.5	-74	0	0	0	110.8	A480	A480-F482 HydrophobicContact CB-CD2 4.4Å; A480-F482 HydrophobicContact CB-CE2 4.01Å; A480-F482 HydrophobicContact CB-CZ 4.31Å; A480-F482 PolarHBondContact O-N 2.93Å

Retrieved 482 of 482 residues in 196.1 ms (Link to these results)

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