A0A087XZ89_POEFO Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A087XZ89, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 350 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37	Very low	65.5	Low	233 Å²	233	88.3 Å²	88.3	100%	1.148	54%	0.539	S	S	*	.				0	110.1	0	-66	-79.9	-139.1	0	0	106.7	G3	M1-G3 PolarHBondContact O-N 2.77Å
2	P	38.3	Very low	68.3	Low	129 Å²	129	84.8 Å²	84.8	84%	0.838	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-61.2	128	165.4	-3	18.9	0	0	0	106.6
3	G	35.4	Very low	70.6	Confident	55 Å²	55	83.6 Å²	83.6	57%	0.567	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-60.3	170.1	177.1	0	0	0	0	0	111.8	M1 V5	M1-G3 PolarHBondContact O-N 2.77Å; G3-V5 PolarHBondContact O-N 3.34Å
4	P	42.9	Very low	72.6	Confident	139 Å²	139	78.4 Å²	78.4	90%	0.903	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-57.1	119.6	178	23.9	-30.9	0	0	0	109	A6	P4-A6 PolarHBondContact O-N 2.91Å
5	V	52.4	Low	74.3	Confident	78 Å²	78	77.7 Å²	77.7	47%	0.473	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-50.5	138.2	169.6	-176.1	0	0	0	0	106.8	G3 G7 H263	G3-V5 PolarHBondContact O-N 3.34Å; V5-G7 PolarHBondContact O-N 2.63Å; V5-H263 WeakPolarHBondContact CG2-CD2 3.39Å
6	A	55.5	Low	75.7	Confident	99 Å²	99	74.6 Å²	74.6	82%	0.818	44%	0.444	S	S	*	.			trans	-51	106.3	168	0	0	0	0	0	107.7	P4	P4-A6 PolarHBondContact O-N 2.91Å
7	G	73.1	Confident	77.1	Confident	27 Å²	27	70.2 Å²	70.2	28%	0.278	42%	0.418	S	S	.	.			trans	-59.2	151.9	-167.2	0	0	0	0	0	111.5	V5 K9	V5-G7 PolarHBondContact O-N 2.63Å; G7-K9 PolarHBondContact O-N 3.28Å
8	S	92.1	Very high	78.1	Confident	10 Å²	10	71.5 Å²	71.5	7%	0.07	43%	0.426	C	S	.	.			trans	-54.1	133	171.6	170	0	0	0	0	109.8	Y207 M209 H310 Q311	S8-Y207 WeakPolarHBondContact CB-OH 3.22Å; S8-M209 WeakPolarHBondContact CB-O 3.5Å; S8-M209 PolarHBondContact OG-O 3.39Å; S8-H310 PolarHBondContact OG-NE2 2.72Å; S8-Q311 PolarHBondContact OG-NE2 2.67Å
9	K	96.8	Very high	79.2	Confident	87 Å²	87	75.6 Å²	75.6	38%	0.378	45%	0.445	S	S	.	.			trans	-129.5	138.4	176.9	-176.4	174.7	176.7	175.6	0	108.1	G7 R11 A14 D15 Y183 P185 Q311	G7-K9 PolarHBondContact O-N 3.28Å; K9-R11 PolarHBondContact O-N 3.46Å; K9-A14 HydrophobicContact CD-CB 4.12Å; K9-A14 HydrophobicContact CG-CB 3.79Å; K9-D15 WeakPolarHBondContact CE-OD1 3.33Å; K9-D15 IonicContact NZ-OD1 3.01Å; K9-D15 PolarHBondContact NZ-OD1 2.77Å; K9-D15 IonicContact NZ-OD2 3.99Å; K9-D15 PolarHBondContact NZ-OD2 3.32Å; K9-Y183 WeakPolarHBondContact CA-OH 3.48Å; K9-P185 HydrophobicContact CD-CB 4.47Å; K9-P185 HydrophobicContact CG-CB 4.43Å; K9-Q311 PolarHBondContact O-NE2 3.16Å; K9-Q311 PolarHBondContact O-OE1 2.74Å
10	A	98.4	Very high	80.1	Confident	6 Å²	6	75.4 Å²	75.4	5%	0.05	44%	0.438	C	S	.	.			trans	-53.8	137.8	176.9	0	0	0	0	0	110.8	V12 A14 Y183 D211 Y212	A10-V12 VanDerWaalsContact C-N 3.26Å; A10-V12 WeakPolarHBondContact CB-O 3.18Å; A10-V12 PolarHBondContact O-N 2.88Å; A10-A14 HydrophobicContact CB-CB 4.09Å; A10-A14 WeakPolarHBondContact O-CB 3.36Å; A10-Y183 HydrophobicContact CB-CD1 4.47Å; A10-Y183 HydrophobicContact CB-CE1 3.78Å; A10-Y183 HydrophobicContact CB-CE2 4.41Å; A10-Y183 PolarHBondContact N-OH 3.23Å; A10-D211 HydrophobicContact CB-CB 3.79Å; A10-Y212 HydrophobicContact CB-CD2 3.62Å; A10-Y212 HydrophobicContact CB-CE2 3.57Å
11	R	98.6	Very high	80.9	Confident	108 Å²	108	74.7 Å²	74.7	41%	0.408	44%	0.438	S	S	.	.	S	Bend	trans	-66	-30.9	177.7	-64.5	-164.4	-68.1	110.4	-3.5	113	K9 Q311 R313 E318	K9-R11 PolarHBondContact O-N 3.46Å; R11-Q311 WeakPolarHBondContact CD-O 3.45Å; R11-Q311 PolarHBondContact NE-O 3.24Å; R11-R313 PolarHBondContact NH2-O 2.67Å; R11-E318 IonicContact CZ-OE1 2.91Å; R11-E318 IonicContact CZ-OE2 3.86Å; R11-E318 IonicContact NH1-OE1 3.31Å; R11-E318 PolarHBondContact NH1-OE1 3.11Å; R11-E318 IonicContact NH1-OE2 3.53Å; R11-E318 PolarHBondContact NH1-OE2 3.47Å; R11-E318 IonicContact NH2-OE1 2.99Å; R11-E318 IonicContact NH2-OE2 2.72Å; R11-E318 PolarHBondContact NH2-OE2 3.05Å
12	V	98.7	Very high	83.8	Confident	46 Å²	46	71.8 Å²	71.8	28%	0.279	41%	0.414	S	S	.	.	S	Bend	trans	-128.2	156	-179.5	-65.5	0	0	0	0	109.9	A10 A14 Y212 T315	A10-V12 VanDerWaalsContact C-N 3.26Å; A10-V12 WeakPolarHBondContact CB-O 3.18Å; A10-V12 PolarHBondContact O-N 2.88Å; V12-A14 PolarHBondContact O-N 3.32Å; V12-Y212 VanDerWaalsContact O-CE2 3.28Å; V12-Y212 WeakPolarHBondContact O-CE2 3.49Å; V12-T315 HydrophobicContact CB-CG2 4.32Å; V12-T315 HydrophobicContact CG1-CG2 3.8Å; V12-T315 HydrophobicContact CG2-CG2 3.54Å
13	Y	98.6	Very high	86.7	Confident	70 Å²	70	72.5 Å²	72.5	28%	0.275	41%	0.406	S	S	.	.	S	Bend	trans	54.6	22.9	174.2	-47.4	-54.2	0	0	0	115.3	D15 V16 D146 H149 Y212	Y13-D15 PolarHBondContact O-N 2.79Å; Y13-V16 HydrophobicContact CD1-CG2 4.29Å; Y13-V16 PolarHBondContact O-N 3.27Å; Y13-D146 PolarHBondContact OH-OD1 2.77Å; Y13-H149 WeakPolarHBondContact CB-O 3.36Å; Y13-H149 HydrophobicContact CD2-CB 3.88Å; Y13-H149 HydrophobicContact CE2-CB 4.13Å; Y13-Y212 PolarHBondContact O-OH 3.45Å
14	A	98.1	Very high	89.7	Confident	10 Å²	10	71.1 Å²	71.1	8%	0.083	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-38.4	-168.1	0	0	0	0	0	113.2	K9 A10 V12 Y183 P185	K9-A14 HydrophobicContact CD-CB 4.12Å; K9-A14 HydrophobicContact CG-CB 3.79Å; A10-A14 HydrophobicContact CB-CB 4.09Å; A10-A14 WeakPolarHBondContact O-CB 3.36Å; V12-A14 PolarHBondContact O-N 3.32Å; A14-Y183 HydrophobicContact CB-CE1 4.25Å; A14-Y183 WeakPolarHBondContact O-CE1 3.43Å; A14-P185 VanDerWaalsContact O-CD 3.28Å; A14-P185 WeakPolarHBondContact O-CD 3.48Å; A14-P185 WeakPolarHBondContact O-CG 3.45Å
15	D	98	Very high	92.3	Very high	68 Å²	68	68 Å²	68	36%	0.364	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	7.4	-174.3	-56.1	-57.2	0	0	0	112.7	K9 Y13 N17 T18 L19 P185	K9-D15 WeakPolarHBondContact CE-OD1 3.33Å; K9-D15 IonicContact NZ-OD1 3.01Å; K9-D15 PolarHBondContact NZ-OD1 2.77Å; K9-D15 IonicContact NZ-OD2 3.99Å; K9-D15 PolarHBondContact NZ-OD2 3.32Å; Y13-D15 PolarHBondContact O-N 2.79Å; D15-N17 PolarHBondContact O-N 3.42Å; D15-T18 WeakPolarHBondContact O-CA 3.49Å; D15-T18 WeakPolarHBondContact O-CB 3.45Å; D15-T18 PolarHBondContact O-N 3.28Å; D15-L19 WeakPolarHBondContact O-CG 3.36Å; D15-L19 PolarHBondContact O-N 3.35Å; D15-P185 WeakPolarHBondContact OD1-CG 3.5Å
16	V	97.9	Very high	94.5	Very high	29 Å²	29	65.4 Å²	65.4	18%	0.176	34%	0.338	C	S	.	.	H	α-helix	trans	-55.5	-47	-173.8	170.2	0	0	0	0	112.1	Y13 T18 L19 K20 S150	Y13-V16 HydrophobicContact CD1-CG2 4.29Å; Y13-V16 PolarHBondContact O-N 3.27Å; V16-T18 VanDerWaalsContact C-N 3.34Å; V16-L19 PolarHBondContact O-N 3.41Å; V16-K20 HydrophobicContact CG1-CD 4.19Å; V16-K20 VanDerWaalsContact CG1-CE 3.48Å; V16-K20 WeakPolarHBondContact O-CG 3.46Å; V16-K20 PolarHBondContact O-N 2.85Å; V16-S150 WeakPolarHBondContact CG1-O 3.49Å
17	N	98.3	Very high	96.5	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-71.9	-29.2	179.3	-71.3	-36.4	0	0	0	112.9	D15 L19 K20 Y24 W25 G152 Y183	D15-N17 PolarHBondContact O-N 3.42Å; N17-L19 VanDerWaalsContact C-N 3.26Å; N17-L19 PolarHBondContact O-N 2.66Å; N17-K20 PolarHBondContact O-N 3.18Å; N17-Y24 VanDerWaalsContact OD1-CE1 3.29Å; N17-Y24 WeakPolarHBondContact OD1-CE1 3.42Å; N17-W25 HydrophobicContact CB-CG 4.37Å; N17-W25 PolarHBondContact O-NE1 2.9Å; N17-W25 VanDerWaalsContact O-NE1 3.09Å; N17-G152 PolarHBondContact ND2-O 2.97Å; N17-Y183 PolarHBondContact ND2-N 3.3Å; N17-Y183 PolarHBondContact ND2-O 3.15Å
18	T	96.5	Very high	97.6	Very high	93 Å²	93	65.5 Å²	65.5	57%	0.571	31%	0.313	S	S	*	.	H	α-helix	trans	-66	-32.5	174.2	-52.8	0	0	0	0	111.5	D15 V16	D15-T18 WeakPolarHBondContact O-CA 3.49Å; D15-T18 WeakPolarHBondContact O-CB 3.45Å; D15-T18 PolarHBondContact O-N 3.28Å; V16-T18 VanDerWaalsContact C-N 3.34Å
19	L	97.5	Very high	97.9	Very high	150 Å²	150	68.2 Å²	68.2	79%	0.785	34%	0.337	S	S	*	.	H	α-helix	trans	-83	-17.2	178	-63.3	173.6	0	0	0	113.5	D15 V16 N17	D15-L19 WeakPolarHBondContact O-CG 3.36Å; D15-L19 PolarHBondContact O-N 3.35Å; V16-L19 PolarHBondContact O-N 3.41Å; N17-L19 VanDerWaalsContact C-N 3.26Å; N17-L19 PolarHBondContact O-N 2.66Å
20	K	97.7	Very high	97.9	Very high	70 Å²	70	65.5 Å²	65.5	30%	0.304	33%	0.325	S	S	.	.	S	Bend	trans	-86.2	158.5	177.8	-73.2	178.3	-174.2	-75	0	111.4	V16 N17 Y24	V16-K20 HydrophobicContact CG1-CD 4.19Å; V16-K20 VanDerWaalsContact CG1-CE 3.48Å; V16-K20 WeakPolarHBondContact O-CG 3.46Å; V16-K20 PolarHBondContact O-N 2.85Å; N17-K20 PolarHBondContact O-N 3.18Å; K20-Y24 HydrophobicContact CB-CD1 4.08Å; K20-Y24 HydrophobicContact CB-CG 4.03Å; K20-Y24 HydrophobicContact CD-CD1 3.32Å; K20-Y24 HydrophobicContact CD-CD2 3.77Å; K20-Y24 HydrophobicContact CD-CE1 3.27Å; K20-Y24 HydrophobicContact CD-CE2 3.71Å; K20-Y24 HydrophobicContact CD-CG 3.56Å; K20-Y24 VanDerWaalsContact CD-CZ 3.46Å; K20-Y24 HydrophobicContact CG-CD1 4.34Å; K20-Y24 HydrophobicContact CG-CG 4.37Å
21	S	97.8	Very high	97.8	Very high	62 Å²	62	71 Å²	71	43%	0.434	36%	0.358	S	S	.	.			trans	-58.9	147.7	174.4	58.3	0	0	0	0	110.6	E23 Y24	S21-E23 PolarHBondContact O-N 2.58Å; S21-E23 WeakPolarHBondContact OG-CG 3.46Å; S21-E23 PolarHBondContact OG-OE1 3.18Å; S21-Y24 WeakPolarHBondContact O-CB 3.37Å; S21-Y24 PolarHBondContact O-N 3.21Å
22	R	97.6	Very high	97.6	Very high	172 Å²	172	66.4 Å²	66.4	65%	0.649	34%	0.342	S	S	*	.	H	α-helix	trans	-54.7	-38.8	-180	179.2	176.2	171.5	173.1	0.1	112.8	Y24 W25 D26	R22-Y24 PolarHBondContact O-N 2.9Å; R22-Y24 VanDerWaalsContact O-N 3.1Å; R22-W25 HydrophobicContact CB-CZ2 4.25Å; R22-W25 HydrophobicContact CG-CH2 4.05Å; R22-W25 HydrophobicContact CG-CZ2 3.94Å; R22-W25 PolarHBondContact O-N 3.4Å; R22-D26 HydrophobicContact CG-CB 3.81Å; R22-D26 IonicContact CZ-OD2 3.81Å; R22-D26 VanDerWaalsContact CZ-OD2 3.31Å; R22-D26 IonicContact NE-OD2 3.06Å; R22-D26 PolarHBondContact NE-OD2 2.91Å; R22-D26 IonicContact NH2-OD2 2.93Å; R22-D26 PolarHBondContact NH2-OD2 2.84Å; R22-D26 WeakPolarHBondContact O-CB 3.4Å; R22-D26 PolarHBondContact O-N 3.27Å
23	E	97.8	Very high	97.5	Very high	144 Å²	144	69.6 Å²	69.6	67%	0.673	36%	0.357	S	S	*	.	H	α-helix	trans	-58.4	-19.5	176	60.6	177.9	176.7	0	0	114.1	S21 K84	S21-E23 PolarHBondContact O-N 2.58Å; S21-E23 WeakPolarHBondContact OG-CG 3.46Å; S21-E23 PolarHBondContact OG-OE1 3.18Å; E23-K84 WeakPolarHBondContact O-CE 3.46Å; E23-K84 PolarHBondContact O-NZ 2.83Å
24	Y	98.5	Very high	97.5	Very high	25 Å²	25	69.5 Å²	69.5	10%	0.098	36%	0.357	C	S	.	.	H	α-helix	trans	-70.5	-43.5	178.8	-178.7	-93.1	0	0	0	111.7	N17 K20 S21 R22 K84 N88 M151 F182	N17-Y24 VanDerWaalsContact OD1-CE1 3.29Å; N17-Y24 WeakPolarHBondContact OD1-CE1 3.42Å; K20-Y24 HydrophobicContact CB-CD1 4.08Å; K20-Y24 HydrophobicContact CB-CG 4.03Å; K20-Y24 HydrophobicContact CD-CD1 3.32Å; K20-Y24 HydrophobicContact CD-CD2 3.77Å; K20-Y24 HydrophobicContact CD-CE1 3.27Å; K20-Y24 HydrophobicContact CD-CE2 3.71Å; K20-Y24 HydrophobicContact CD-CG 3.56Å; K20-Y24 VanDerWaalsContact CD-CZ 3.46Å; K20-Y24 HydrophobicContact CG-CD1 4.34Å; K20-Y24 HydrophobicContact CG-CG 4.37Å; S21-Y24 WeakPolarHBondContact O-CB 3.37Å; S21-Y24 PolarHBondContact O-N 3.21Å; R22-Y24 PolarHBondContact O-N 2.9Å; R22-Y24 VanDerWaalsContact O-N 3.1Å; Y24-K84 WeakPolarHBondContact O-CE 3.38Å; Y24-N88 HydrophobicContact CE2-CB 3.94Å; Y24-N88 WeakPolarHBondContact CE2-ND2 3.46Å; Y24-N88 PolarHBondContact O-ND2 3.38Å; Y24-M151 WeakPolarHBondContact CE1-O 3.38Å; Y24-M151 HydrophobicContact CE2-CE 4.33Å; Y24-M151 WeakPolarHBondContact OH-CE 3.05Å; Y24-M151 PolarHBondContact OH-O 2.69Å; Y24-F182 HydrophobicContact CD1-CD1 4.42Å; Y24-F182 HydrophobicContact CD1-CE1 4.03Å; Y24-F182 HydrophobicContact CE1-CD1 4.17Å; Y24-F182 AromaticContact CE1-CE1 3.76Å; Y24-F182 HydrophobicContact CE1-CE1 3.76Å; Y24-F182 WeakPolarHBondContact O-CZ 3.34Å
25	W	98.1	Very high	97.4	Very high	74 Å²	74	72.2 Å²	72.2	28%	0.28	37%	0.37	S	S	.	.	H	α-helix	trans	-113.6	-18	-173	55	-102	0	0	0	113.6	N17 R22 Y27 F182 H184	N17-W25 HydrophobicContact CB-CG 4.37Å; N17-W25 PolarHBondContact O-NE1 2.9Å; N17-W25 VanDerWaalsContact O-NE1 3.09Å; R22-W25 HydrophobicContact CB-CZ2 4.25Å; R22-W25 HydrophobicContact CG-CH2 4.05Å; R22-W25 HydrophobicContact CG-CZ2 3.94Å; R22-W25 PolarHBondContact O-N 3.4Å; W25-Y27 WeakPolarHBondContact O-CD1 3.43Å; W25-Y27 PolarHBondContact O-N 3.4Å; W25-F182 HydrophobicContact CB-CB 4.18Å; W25-F182 HydrophobicContact CB-CD1 3.7Å; W25-F182 HydrophobicContact CB-CD2 4.31Å; W25-F182 HydrophobicContact CB-CE1 4.15Å; W25-F182 HydrophobicContact CB-CG 3.79Å; W25-H184 AromaticContact CD2-CE1 3.53Å; W25-H184 AromaticContact CD2-NE2 3.94Å; W25-H184 AromaticContact CE2-CE1 3.99Å; W25-H184 AromaticContact CE3-CE1 3.79Å; W25-H184 AromaticContact CE3-NE2 3.83Å; W25-H184 AromaticContact CG-CE1 3.65Å
26	D	98.1	Very high	97.3	Very high	24 Å²	24	71.6 Å²	71.6	13%	0.128	37%	0.367	C	S	.	.			trans	-76.9	70.3	175.4	-169.3	-7.4	0	0	0	111	R22 E28 A29	R22-D26 HydrophobicContact CG-CB 3.81Å; R22-D26 IonicContact CZ-OD2 3.81Å; R22-D26 VanDerWaalsContact CZ-OD2 3.31Å; R22-D26 IonicContact NE-OD2 3.06Å; R22-D26 PolarHBondContact NE-OD2 2.91Å; R22-D26 IonicContact NH2-OD2 2.93Å; R22-D26 PolarHBondContact NH2-OD2 2.84Å; R22-D26 WeakPolarHBondContact O-CB 3.4Å; R22-D26 PolarHBondContact O-N 3.27Å; D26-E28 PolarHBondContact O-N 2.73Å; D26-E28 PolarHBondContact OD1-N 3.36Å; D26-A29 PolarHBondContact O-N 2.92Å; D26-A29 PolarHBondContact OD1-N 3.48Å
27	Y	98.1	Very high	97.2	Very high	24 Å²	24	71.4 Å²	71.4	9%	0.094	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-13.2	180	59.1	-100.4	0	0	0	113.3	W25 H30 K77 K80 R81 E181 F182	W25-Y27 WeakPolarHBondContact O-CD1 3.43Å; W25-Y27 PolarHBondContact O-N 3.4Å; Y27-H30 PolarHBondContact O-N 2.83Å; Y27-K77 HydrophobicContact CD2-CG 4.33Å; Y27-K77 HydrophobicContact CE2-CD 4.19Å; Y27-K77 VanDerWaalsContact CE2-CE 3.49Å; Y27-K77 HydrophobicContact CE2-CG 3.6Å; Y27-K77 VanDerWaalsContact OH-CE 3.22Å; Y27-K77 WeakPolarHBondContact OH-CE 3.42Å; Y27-K80 WeakPolarHBondContact O-CB 3.4Å; Y27-K80 WeakPolarHBondContact O-CD 3.33Å; Y27-R81 HydrophobicContact CD1-CB 4.23Å; Y27-R81 HydrophobicContact CD1-CG 3.9Å; Y27-R81 HydrophobicContact CD2-CB 3.59Å; Y27-R81 HydrophobicContact CD2-CG 4.16Å; Y27-R81 HydrophobicContact CE1-CB 4.35Å; Y27-R81 HydrophobicContact CE1-CG 3.87Å; Y27-R81 HydrophobicContact CE2-CB 3.72Å; Y27-R81 HydrophobicContact CE2-CG 4.11Å; Y27-R81 HydrophobicContact CG-CB 3.85Å; Y27-R81 HydrophobicContact CG-CG 4.04Å; Y27-E181 WeakPolarHBondContact CE1-OE1 3.2Å; Y27-E181 PolarHBondContact OH-OE1 3.06Å; Y27-F182 AromaticContact CD1-CD2 3.71Å; Y27-F182 HydrophobicContact CD1-CD2 3.71Å; Y27-F182 AromaticContact CD1-CE2 3.78Å; Y27-F182 HydrophobicContact CD1-CE2 3.78Å; Y27-F182 HydrophobicContact CE1-CD2 4.07Å
28	E	96.9	Very high	97.1	Very high	103 Å²	103	77.2 Å²	77.2	48%	0.481	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-36.6	174.9	-65.8	-159.5	-136	0	0	111.4	D26 H30 K77 K80	D26-E28 PolarHBondContact O-N 2.73Å; D26-E28 PolarHBondContact OD1-N 3.36Å; E28-H30 VanDerWaalsContact C-N 3.34Å; E28-K77 HydrophobicContact CG-CD 4.05Å; E28-K77 HydrophobicContact CG-CG 4.06Å; E28-K77 WeakPolarHBondContact OE1-CD 3.49Å; E28-K77 WeakPolarHBondContact OE1-CE 3.49Å; E28-K77 IonicContact OE1-NZ 2.72Å; E28-K77 PolarHBondContact OE1-NZ 3.38Å; E28-K80 PolarHBondContact O-NZ 3.08Å
29	A	97.1	Very high	97.2	Very high	68 Å²	68	75.6 Å²	75.6	56%	0.562	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-22.4	174.3	0	0	0	0	0	113.2	D26	D26-A29 PolarHBondContact O-N 2.92Å; D26-A29 PolarHBondContact OD1-N 3.48Å
30	H	97.6	Very high	97.2	Very high	30 Å²	30	69.3 Å²	69.3	14%	0.139	35%	0.345	C	S	.	.			trans	-59.2	139	-178.4	176.6	68.8	0	0	0	112.8	Y27 E28 K80 E87	Y27-H30 PolarHBondContact O-N 2.83Å; E28-H30 VanDerWaalsContact C-N 3.34Å; H30-K80 VanDerWaalsContact O-CD 3.29Å; H30-K80 WeakPolarHBondContact O-CD 3.16Å; H30-K80 WeakPolarHBondContact O-CE 3.35Å; H30-K80 PolarHBondContact O-NZ 3.41Å; H30-E87 IonicContact CE1-OE1 3.36Å; H30-E87 IonicContact CE1-OE2 3.63Å; H30-E87 PolarHBondContact CE1-OE2 3.06Å; H30-E87 IonicContact ND1-OE2 2.75Å; H30-E87 IonicContact NE2-OE1 2.82Å; H30-E87 IonicContact NE2-OE2 3.97Å
31	V	96.5	Very high	97.2	Very high	121 Å²	121	72.1 Å²	72.1	73%	0.733	36%	0.359	S	S	*	.			trans	-118.8	97.9	177.8	-177.5	0	0	0	0	108
32	P	95.1	Very high	97.2	Very high	12 Å²	12	72.4 Å²	72.4	8%	0.078	36%	0.355	C	S	.	.			trans	-63.3	140.3	178.4	-19.8	29.4	0	0	0	111.1	W34 K80 I83	P32-W34 HydrophobicContact CB-CZ2 3.91Å; P32-W34 HydrophobicContact CG-CZ2 4.02Å; P32-W34 PolarHBondContact O-NE1 3.04Å; P32-K80 HydrophobicContact CG-CG 4.47Å; P32-I83 HydrophobicContact CB-CD1 3.85Å; P32-I83 HydrophobicContact CB-CG2 4.24Å; P32-I83 HydrophobicContact CG-CD1 3.76Å; P32-I83 HydrophobicContact CG-CG2 4.36Å
33	N	95.7	Very high	97.3	Very high	112 Å²	112	68.2 Å²	68.2	60%	0.599	35%	0.348	S	S	*	.			trans	-72.3	135.4	165.6	-171.1	21.2	0	0	0	109.1	T101	N33-T101 WeakPolarHBondContact O-CB 3.42Å; N33-T101 PolarHBondContact O-OG1 3.37Å
34	W	97.6	Very high	97.2	Very high	68 Å²	68	68.1 Å²	68.1	26%	0.258	34%	0.342	S	S	.	.			trans	-120.6	109.5	-178.1	-64.9	98.4	0	0	0	110.1	P32 I79 I83 T101 V102 K103 P110	P32-W34 HydrophobicContact CB-CZ2 3.91Å; P32-W34 HydrophobicContact CG-CZ2 4.02Å; P32-W34 PolarHBondContact O-NE1 3.04Å; W34-I79 HydrophobicContact CH2-CG2 3.97Å; W34-I79 HydrophobicContact CZ2-CG2 4.36Å; W34-I83 HydrophobicContact CH2-CD1 3.56Å; W34-I83 HydrophobicContact CZ2-CD1 3.9Å; W34-I83 HydrophobicContact CZ3-CD1 4.33Å; W34-T101 WeakPolarHBondContact CA-O 3.3Å; W34-V102 VanDerWaalsContact CE3-O 3.3Å; W34-V102 WeakPolarHBondContact CZ3-O 3.48Å; W34-K103 HydrophobicContact CB-CD 4.12Å; W34-K103 HydrophobicContact CB-CG 4.43Å; W34-K103 HydrophobicContact CD2-CD 3.79Å; W34-K103 VanDerWaalsContact CD2-CE 3.41Å; W34-K103 HydrophobicContact CD2-CG 3.92Å; W34-K103 VanDerWaalsContact CE2-CE 3.46Å; W34-K103 VanDerWaalsContact CE2-NZ 3.26Å; W34-K103 HydrophobicContact CE3-CD 4.08Å; W34-K103 HydrophobicContact CE3-CG 3.67Å; W34-K103 HydrophobicContact CG-CD 3.8Å; W34-K103 HydrophobicContact CG-CG 4.27Å; W34-K103 HydrophobicContact CZ3-CG 4.23Å; W34-P110 HydrophobicContact CE3-CB 4.39Å; W34-P110 HydrophobicContact CH2-CB 3.42Å; W34-P110 VanDerWaalsContact CH2-CB 3.42Å; W34-P110 HydrophobicContact CZ2-CB 4.34Å; W34-P110 HydrophobicContact CZ3-CB 3.46Å; W34-P110 VanDerWaalsContact CZ3-CB 3.46Å
35	N	97.4	Very high	97.2	Very high	67 Å²	67	71.8 Å²	71.8	36%	0.358	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	173.9	174.7	-68.4	-29.7	0	0	0	111.8	D100 T101 V102 K103	N35-D100 WeakPolarHBondContact CB-OD2 3.24Å; N35-D100 VanDerWaalsContact ND2-CG 3.31Å; N35-D100 PolarHBondContact ND2-OD1 2.93Å; N35-D100 PolarHBondContact ND2-OD2 3.43Å; N35-T101 PolarHBondContact N-O 3.25Å; N35-V102 HydrophobicContact CB-CG1 4.12Å; N35-V102 VanDerWaalsContact O-CA 3.29Å; N35-V102 WeakPolarHBondContact O-CA 3.4Å; N35-K103 PolarHBondContact O-N 3.42Å
36	N	95.7	Very high	97	Very high	56 Å²	56	71.9 Å²	71.9	30%	0.299	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	127.1	-177.8	-168.3	-3.4	0	0	0	110.6	E38 D39	N36-E38 PolarHBondContact ND2-OE2 3.42Å; N36-E38 PolarHBondContact O-N 3.21Å; N36-E38 WeakPolarHBondContact OD1-CG 3.42Å; N36-E38 PolarHBondContact OD1-N 3.1Å; N36-E38 VanDerWaalsContact OD1-N 3.09Å; N36-D39 PolarHBondContact O-N 2.78Å
37	Q	96.1	Very high	96.8	Very high	24 Å²	24	72 Å²	72	11%	0.112	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-68.2	-19.5	176.4	-171.3	177.1	-52.9	0	0	112.8	D39 Y40 V102 K103	Q37-D39 PolarHBondContact O-N 3.21Å; Q37-D39 VanDerWaalsContact O-N 3.14Å; Q37-Y40 PolarHBondContact O-N 2.69Å; Q37-V102 HydrophobicContact CB-CB 4.07Å; Q37-V102 HydrophobicContact CB-CG2 3.85Å; Q37-V102 HydrophobicContact CG-CG2 3.87Å; Q37-K103 WeakPolarHBondContact CB-O 3.43Å; Q37-K103 PolarHBondContact N-O 3.42Å; Q37-K103 VanDerWaalsContact N-O 3.16Å
38	E	96.3	Very high	96.5	Very high	123 Å²	123	79.7 Å²	79.7	58%	0.575	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-62.3	-17.6	178.9	-67.5	176	158.1	0	0	113.8	N36 Y40 I60 P105	N36-E38 PolarHBondContact ND2-OE2 3.42Å; N36-E38 PolarHBondContact O-N 3.21Å; N36-E38 WeakPolarHBondContact OD1-CG 3.42Å; N36-E38 PolarHBondContact OD1-N 3.1Å; N36-E38 VanDerWaalsContact OD1-N 3.09Å; E38-Y40 PolarHBondContact O-N 2.79Å; E38-I60 WeakPolarHBondContact O-CD1 3.47Å; E38-P105 HydrophobicContact CG-CG 3.94Å; E38-P105 WeakPolarHBondContact OE1-CG 3.47Å
39	D	97.3	Very high	96.1	Very high	58 Å²	58	76.3 Å²	76.3	31%	0.31	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-68.5	-7.8	172.3	-62.4	-24.8	0	0	0	112.6	N36 Q37 N59 I60 T61	N36-D39 PolarHBondContact O-N 2.78Å; Q37-D39 PolarHBondContact O-N 3.21Å; Q37-D39 VanDerWaalsContact O-N 3.14Å; D39-N59 WeakPolarHBondContact O-CA 3.37Å; D39-N59 PolarHBondContact O-OD1 2.95Å; D39-I60 WeakPolarHBondContact O-CG1 3.47Å; D39-I60 PolarHBondContact O-N 3.28Å; D39-T61 HydrophobicContact CB-CG2 4.39Å
40	Y	98.4	Very high	95.6	Very high	18 Å²	18	80.8 Å²	80.8	7%	0.071	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	110.7	-175	-59.5	-80.7	0	0	0	112.1	Q37 E38 I58 N59 V66 D100 V102 V113	Q37-Y40 PolarHBondContact O-N 2.69Å; E38-Y40 PolarHBondContact O-N 2.79Å; Y40-I58 WeakPolarHBondContact CA-O 3.06Å; Y40-N59 HydrophobicContact CD1-CB 3.87Å; Y40-N59 HydrophobicContact CE1-CB 3.66Å; Y40-V66 HydrophobicContact CD1-CG2 3.69Å; Y40-V66 HydrophobicContact CE1-CG2 4.04Å; Y40-D100 WeakPolarHBondContact OH-CB 3.48Å; Y40-D100 PolarHBondContact OH-OD2 3.18Å; Y40-V102 HydrophobicContact CD2-CG1 4.05Å; Y40-V102 HydrophobicContact CE2-CG1 3.64Å; Y40-V113 HydrophobicContact CD1-CG1 4.1Å; Y40-V113 HydrophobicContact CD2-CG2 4.18Å; Y40-V113 HydrophobicContact CE1-CB 4.5Å; Y40-V113 HydrophobicContact CE1-CG1 3.61Å; Y40-V113 HydrophobicContact CE1-CG2 4.31Å; Y40-V113 HydrophobicContact CE2-CG2 3.93Å; Y40-V113 HydrophobicContact CG-CG2 4.47Å
41	Q	98.2	Very high	95.3	Very high	129 Å²	129	83.7 Å²	83.7	60%	0.603	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.7	115.3	175.5	-172.8	178.6	12.4	0	0	110.6	V43 A57 I58 I60	Q41-V43 PolarHBondContact O-N 2.66Å; Q41-A57 CarbonylContact O-C 3.54Å; Q41-A57 WeakPolarHBondContact O-CA 3.11Å; Q41-A57 VanDerWaalsContact O-CB 3.27Å; Q41-A57 WeakPolarHBondContact O-CB 3.1Å; Q41-I58 PolarHBondContact N-O 3.23Å; Q41-I58 PolarHBondContact O-N 2.87Å; Q41-I60 HydrophobicContact CB-CG2 3.93Å
42	L	98.1	Very high	95.3	Very high	69 Å²	69	78.3 Å²	78.3	36%	0.361	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	129.5	176	-54.4	-175.5	0	0	0	110.6	F55 A57 V68 I70	L42-F55 HydrophobicContact CD1-CD1 4.35Å; L42-F55 HydrophobicContact CD1-CD2 4.49Å; L42-F55 HydrophobicContact CD1-CG 4.27Å; L42-F55 HydrophobicContact CD2-CB 3.97Å; L42-F55 HydrophobicContact CD2-CG 4.4Å; L42-A57 HydrophobicContact CD2-CB 3.99Å; L42-V68 HydrophobicContact CD2-CB 3.97Å; L42-V68 HydrophobicContact CD2-CG1 4.19Å; L42-V68 HydrophobicContact CD2-CG2 4.1Å; L42-I70 HydrophobicContact CD1-CD1 4.14Å
43	V	97.9	Very high	95.4	Very high	83 Å²	83	80.3 Å²	80.3	50%	0.503	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	-58.5	-178.6	177.2	0	0	0	0	110.8	Q41 E56 I58	Q41-V43 PolarHBondContact O-N 2.66Å; V43-E56 HydrophobicContact CB-CG 4.4Å; V43-E56 PolarHBondContact N-O 3.44Å; V43-I58 HydrophobicContact CG2-CG1 3.84Å
44	R	97.4	Very high	95.5	Very high	142 Å²	142	76.7 Å²	76.7	54%	0.536	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	153.9	-179	64.6	174.5	-178.2	125	5.9	111.8	L46 F55 E56	R44-L46 HydrophobicContact CG-CD2 4.49Å; R44-F55 CarbonylContact O-C 3.56Å; R44-F55 VanDerWaalsContact O-CA 3.31Å; R44-F55 WeakPolarHBondContact O-CA 3.33Å; R44-E56 HydrophobicContact CG-CB 3.9Å; R44-E56 IonicContact CZ-OE2 3.21Å; R44-E56 PolarHBondContact N-O 3.12Å; R44-E56 IonicContact NE-OE2 2.74Å; R44-E56 PolarHBondContact NE-OE2 3.38Å; R44-E56 IonicContact NH2-OE2 2.81Å; R44-E56 PolarHBondContact NH2-OE2 2.88Å; R44-E56 PolarHBondContact O-N 3.23Å
45	K	97.4	Very high	95.5	Very high	102 Å²	102	75 Å²	75	44%	0.443	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	127.7	174.2	-166.7	173.5	-169.5	165.2	0	110.2	E53 F55	K45-E53 WeakPolarHBondContact CE-OE1 3.43Å; K45-E53 IonicContact NZ-OE1 2.66Å; K45-E53 PolarHBondContact NZ-OE1 3.44Å; K45-F55 HydrophobicContact CB-CD1 3.9Å; K45-F55 HydrophobicContact CB-CE1 3.74Å; K45-F55 HydrophobicContact CD-CE1 4.23Å; K45-F55 HydrophobicContact CD-CZ 4.34Å; K45-F55 HydrophobicContact CG-CD1 4.2Å; K45-F55 HydrophobicContact CG-CE1 3.84Å; K45-F55 HydrophobicContact CG-CZ 4.2Å
46	L	94.7	Very high	95.6	Very high	77 Å²	77	72.9 Å²	72.9	40%	0.403	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	-33.8	176	-63.4	177.7	0	0	0	111.8	R44 V54 E56 V67	R44-L46 HydrophobicContact CG-CD2 4.49Å; L46-V54 HydrophobicContact CB-CG1 4.36Å; L46-V54 HydrophobicContact CD1-CG1 4.44Å; L46-V54 PolarHBondContact N-O 3.09Å; L46-E56 HydrophobicContact CD1-CB 4.04Å; L46-E56 HydrophobicContact CD2-CB 4.07Å; L46-E56 HydrophobicContact CG-CB 4.02Å; L46-V67 HydrophobicContact CD1-CG1 4.31Å; L46-V67 HydrophobicContact CD1-CG2 4.04Å
47	G	92.8	Very high	95.7	Very high	27 Å²	27	70.2 Å²	70.2	28%	0.278	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.5	172.6	-177.6	0	0	0	0	0	114.6	V54	G47-V54 PolarHBondContact N-O 3.43Å; G47-V54 PolarHBondContact O-N 3.47Å
48	R	92.7	Very high	95.8	Very high	185 Å²	185	71.2 Å²	71.2	70%	0.698	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.3	116.6	177.1	-175.9	175.3	-167.1	-151.5	-1.1	109.5	E53	R48-E53 HydrophobicContact CG-CG 4.27Å; R48-E53 IonicContact NE-OE1 3.58Å
49	G	87.9	Confident	95.9	Very high	32 Å²	32	66 Å²	66	33%	0.33	32%	0.318	S	S	.	.			trans	-96.2	177	173.5	0	0	0	0	0	112.2	Y51 S52 K72	G49-Y51 VanDerWaalsContact C-N 3.29Å; G49-Y51 PolarHBondContact O-N 2.76Å; G49-S52 PolarHBondContact N-O 2.79Å; G49-K72 PolarHBondContact O-NZ 3.12Å
50	K	87.3	Confident	95.9	Very high	161 Å²	161	67.4 Å²	67.4	70%	0.7	32%	0.324	S	S	*	.	S	Bend	trans	-60.7	-41.2	172	-176.9	173.8	178.4	-176.1	0	111.6
51	Y	91.4	Very high	95.8	Very high	92 Å²	92	71.2 Å²	71.2	36%	0.361	35%	0.35	S	S	.	.	S	Bend	trans	-110.5	-0.7	-172.4	-56.2	-69.1	0	0	0	114.3	G49 K72 V74	G49-Y51 VanDerWaalsContact C-N 3.29Å; G49-Y51 PolarHBondContact O-N 2.76Å; Y51-K72 WeakPolarHBondContact O-CB 3.42Å; Y51-K72 PolarHBondContact O-N 3.35Å; Y51-V74 HydrophobicContact CD1-CG1 3.61Å; Y51-V74 HydrophobicContact CE1-CG1 4.42Å; Y51-V74 HydrophobicContact CG-CG1 4.37Å
52	S	95.6	Very high	95.8	Very high	8 Å²	8	68.6 Å²	68.6	6%	0.056	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	165.8	-174.9	58.9	0	0	0	0	113	G49 K69 I70	G49-S52 PolarHBondContact N-O 2.79Å; S52-K69 WeakPolarHBondContact OG-CE 3.43Å; S52-I70 CarbonylContact C-O 3.28Å; S52-I70 WeakPolarHBondContact CA-O 3.42Å; S52-I70 VanDerWaalsContact CB-O 3.3Å; S52-I70 WeakPolarHBondContact CB-O 3.28Å
53	E	97.5	Very high	95.7	Very high	54 Å²	54	71.6 Å²	71.6	25%	0.252	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	136.5	162.7	-59.2	-165.2	104.7	0	0	108.1	K45 R48 F55 K69 I70	K45-E53 WeakPolarHBondContact CE-OE1 3.43Å; K45-E53 IonicContact NZ-OE1 2.66Å; K45-E53 PolarHBondContact NZ-OE1 3.44Å; R48-E53 HydrophobicContact CG-CG 4.27Å; R48-E53 IonicContact NE-OE1 3.58Å; E53-F55 HydrophobicContact CB-CD2 4.49Å; E53-F55 HydrophobicContact CB-CE2 3.61Å; E53-F55 HydrophobicContact CB-CZ 4.21Å; E53-K69 CarbonylContact O-C 3.52Å; E53-I70 PolarHBondContact N-O 3.33Å; E53-I70 PolarHBondContact O-N 3.41Å
54	V	97.9	Very high	95.7	Very high	35 Å²	35	72.4 Å²	72.4	21%	0.212	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	131.3	-171	-173.7	0	0	0	0	109.2	L46 G47 V67 V68 K69	L46-V54 HydrophobicContact CB-CG1 4.36Å; L46-V54 HydrophobicContact CD1-CG1 4.44Å; L46-V54 PolarHBondContact N-O 3.09Å; G47-V54 PolarHBondContact N-O 3.43Å; G47-V54 PolarHBondContact O-N 3.47Å; V54-V67 HydrophobicContact CG1-CG1 3.38Å; V54-V68 WeakPolarHBondContact CA-O 3.47Å; V54-K69 HydrophobicContact CG2-CB 4.49Å; V54-K69 HydrophobicContact CG2-CG 4.2Å
55	F	98.3	Very high	95.7	Very high	34 Å²	34	70.3 Å²	70.3	15%	0.149	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	145.1	-175.8	-63	-95.2	0	0	0	110.5	L42 R44 K45 E53 V67 V68 I70	L42-F55 HydrophobicContact CD1-CD1 4.35Å; L42-F55 HydrophobicContact CD1-CD2 4.49Å; L42-F55 HydrophobicContact CD1-CG 4.27Å; L42-F55 HydrophobicContact CD2-CB 3.97Å; L42-F55 HydrophobicContact CD2-CG 4.4Å; R44-F55 CarbonylContact O-C 3.56Å; R44-F55 VanDerWaalsContact O-CA 3.31Å; R44-F55 WeakPolarHBondContact O-CA 3.33Å; K45-F55 HydrophobicContact CB-CD1 3.9Å; K45-F55 HydrophobicContact CB-CE1 3.74Å; K45-F55 HydrophobicContact CD-CE1 4.23Å; K45-F55 HydrophobicContact CD-CZ 4.34Å; K45-F55 HydrophobicContact CG-CD1 4.2Å; K45-F55 HydrophobicContact CG-CE1 3.84Å; K45-F55 HydrophobicContact CG-CZ 4.2Å; E53-F55 HydrophobicContact CB-CD2 4.49Å; E53-F55 HydrophobicContact CB-CE2 3.61Å; E53-F55 HydrophobicContact CB-CZ 4.21Å; F55-V67 CarbonylContact O-C 3.52Å; F55-V67 WeakPolarHBondContact O-CA 3.3Å; F55-V68 PolarHBondContact N-O 3.34Å; F55-V68 PolarHBondContact O-N 2.84Å; F55-I70 HydrophobicContact CD2-CD1 3.93Å; F55-I70 HydrophobicContact CD2-CG1 4.19Å; F55-I70 HydrophobicContact CE2-CD1 3.74Å; F55-I70 HydrophobicContact CE2-CG1 4.25Å
56	E	98.2	Very high	95.8	Very high	21 Å²	21	65.6 Å²	65.6	10%	0.098	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	137.5	158.5	-178.6	176.4	153.1	0	0	107.9	V43 R44 L46 K65	V43-E56 HydrophobicContact CB-CG 4.4Å; V43-E56 PolarHBondContact N-O 3.44Å; R44-E56 HydrophobicContact CG-CB 3.9Å; R44-E56 IonicContact CZ-OE2 3.21Å; R44-E56 PolarHBondContact N-O 3.12Å; R44-E56 IonicContact NE-OE2 2.74Å; R44-E56 PolarHBondContact NE-OE2 3.38Å; R44-E56 IonicContact NH2-OE2 2.81Å; R44-E56 PolarHBondContact NH2-OE2 2.88Å; R44-E56 PolarHBondContact O-N 3.23Å; L46-E56 HydrophobicContact CD1-CB 4.04Å; L46-E56 HydrophobicContact CD2-CB 4.07Å; L46-E56 HydrophobicContact CG-CB 4.02Å; E56-K65 HydrophobicContact CG-CG 4.46Å; E56-K65 WeakPolarHBondContact OE1-CE 3.38Å; E56-K65 IonicContact OE1-NZ 2.68Å; E56-K65 PolarHBondContact OE1-NZ 3.39Å; E56-K65 IonicContact OE2-NZ 3.43Å; E56-K65 PolarHBondContact OE2-NZ 3.47Å
57	A	98.5	Very high	95.9	Very high	0 Å²	0	63 Å²	63	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	165.5	179.1	0	0	0	0	0	111.3	Q41 L42 V66 V68	Q41-A57 CarbonylContact O-C 3.54Å; Q41-A57 WeakPolarHBondContact O-CA 3.11Å; Q41-A57 VanDerWaalsContact O-CB 3.27Å; Q41-A57 WeakPolarHBondContact O-CB 3.1Å; L42-A57 HydrophobicContact CD2-CB 3.99Å; A57-V66 HydrophobicContact CB-CG2 3.97Å; A57-V66 PolarHBondContact N-O 3.06Å; A57-V66 PolarHBondContact O-N 3.33Å; A57-V66 VanDerWaalsContact O-O 3.12Å; A57-V68 HydrophobicContact CB-CB 4.5Å; A57-V68 HydrophobicContact CB-CG2 3.59Å
58	I	98.5	Very high	96.2	Very high	46 Å²	46	61.8 Å²	61.8	24%	0.236	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	131.1	171	-57.1	-59.3	0	0	0	108.3	Y40 Q41 V43 I60 K65	Y40-I58 WeakPolarHBondContact CA-O 3.06Å; Q41-I58 PolarHBondContact N-O 3.23Å; Q41-I58 PolarHBondContact O-N 2.87Å; V43-I58 HydrophobicContact CG2-CG1 3.84Å; I58-I60 PolarHBondContact O-N 3.4Å; I58-K65 HydrophobicContact CD1-CB 4.11Å; I58-K65 HydrophobicContact CD1-CG 4.26Å
59	N	98.2	Very high	96.5	Very high	13 Å²	13	53.7 Å²	53.7	7%	0.07	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	114.5	166.1	-179.8	-14.6	0	0	0	108.6	D39 Y40 T61 N62 N63 E64	D39-N59 WeakPolarHBondContact O-CA 3.37Å; D39-N59 PolarHBondContact O-OD1 2.95Å; Y40-N59 HydrophobicContact CD1-CB 3.87Å; Y40-N59 HydrophobicContact CE1-CB 3.66Å; N59-T61 PolarHBondContact ND2-OG1 3.34Å; N59-T61 PolarHBondContact O-N 3.27Å; N59-T61 WeakPolarHBondContact OD1-CB 3.36Å; N59-T61 PolarHBondContact OD1-N 3.02Å; N59-T61 PolarHBondContact OD1-OG1 3.02Å; N59-N62 VanDerWaalsContact CB-OD1 3.26Å; N59-N62 WeakPolarHBondContact CB-OD1 3.49Å; N59-N62 VanDerWaalsContact CG-OD1 3.26Å; N59-N62 PolarHBondContact ND2-OD1 3.06Å; N59-N62 PolarHBondContact O-N 3.48Å; N59-N62 PolarHBondContact O-OD1 3.35Å; N59-N63 WeakPolarHBondContact O-CA 3.31Å; N59-N63 PolarHBondContact O-N 3.14Å; N59-E64 PolarHBondContact N-O 2.93Å
60	I	97.3	Very high	97	Very high	88 Å²	88	53.8 Å²	53.8	45%	0.451	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-14.8	-173.1	68.4	-177.5	0	0	0	113	E38 D39 Q41 I58	E38-I60 WeakPolarHBondContact O-CD1 3.47Å; D39-I60 WeakPolarHBondContact O-CG1 3.47Å; D39-I60 PolarHBondContact O-N 3.28Å; Q41-I60 HydrophobicContact CB-CG2 3.93Å; I58-I60 PolarHBondContact O-N 3.4Å
61	T	96.4	Very high	97.5	Very high	98 Å²	98	46.5 Å²	46.5	60%	0.601	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-27.7	-180	67.4	0	0	0	0	112.8	D39 N59	D39-T61 HydrophobicContact CB-CG2 4.39Å; N59-T61 PolarHBondContact ND2-OG1 3.34Å; N59-T61 PolarHBondContact O-N 3.27Å; N59-T61 WeakPolarHBondContact OD1-CB 3.36Å; N59-T61 PolarHBondContact OD1-N 3.02Å; N59-T61 PolarHBondContact OD1-OG1 3.02Å
62	N	96.9	Very high	97.6	Very high	74 Å²	74	44.5 Å²	44.5	40%	0.396	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-135.7	2.2	-175.3	70.9	1.4	0	0	0	114.3	N59 E64	N59-N62 VanDerWaalsContact CB-OD1 3.26Å; N59-N62 WeakPolarHBondContact CB-OD1 3.49Å; N59-N62 VanDerWaalsContact CG-OD1 3.26Å; N59-N62 PolarHBondContact ND2-OD1 3.06Å; N59-N62 PolarHBondContact O-N 3.48Å; N59-N62 PolarHBondContact O-OD1 3.35Å; N62-E64 VanDerWaalsContact ND2-CD 3.3Å; N62-E64 PolarHBondContact ND2-OE2 3.47Å; N62-E64 PolarHBondContact O-N 2.93Å; N62-E64 VanDerWaalsContact OD1-CB 3.31Å; N62-E64 WeakPolarHBondContact OD1-CB 3.48Å; N62-E64 PolarHBondContact OD1-N 3.33Å
63	N	96.8	Very high	97.6	Very high	131 Å²	131	50.8 Å²	50.8	70%	0.701	27%	0.268	S	S	*	.			trans	58.4	18.7	-176.1	-68.7	-32.3	0	0	0	115.3	N59	N59-N63 WeakPolarHBondContact O-CA 3.31Å; N59-N63 PolarHBondContact O-N 3.14Å
64	E	97.4	Very high	97.4	Very high	100 Å²	100	50.3 Å²	50.3	47%	0.467	27%	0.269	S	S	.	.			trans	-77.2	139	176.7	-70.1	-175.4	155.8	0	0	111.8	N59 N62	N59-E64 PolarHBondContact N-O 2.93Å; N62-E64 VanDerWaalsContact ND2-CD 3.3Å; N62-E64 PolarHBondContact ND2-OE2 3.47Å; N62-E64 PolarHBondContact O-N 2.93Å; N62-E64 VanDerWaalsContact OD1-CB 3.31Å; N62-E64 WeakPolarHBondContact OD1-CB 3.48Å; N62-E64 PolarHBondContact OD1-N 3.33Å
65	K	98.1	Very high	97.2	Very high	99 Å²	99	57.2 Å²	57.2	43%	0.43	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	128.8	172.5	-172.4	178.6	179.6	156.1	0	110.6	E56 I58 S116	E56-K65 HydrophobicContact CG-CG 4.46Å; E56-K65 WeakPolarHBondContact OE1-CE 3.38Å; E56-K65 IonicContact OE1-NZ 2.68Å; E56-K65 PolarHBondContact OE1-NZ 3.39Å; E56-K65 IonicContact OE2-NZ 3.43Å; E56-K65 PolarHBondContact OE2-NZ 3.47Å; I58-K65 HydrophobicContact CD1-CB 4.11Å; I58-K65 HydrophobicContact CD1-CG 4.26Å; K65-S116 VanDerWaalsContact O-CB 3.27Å; K65-S116 WeakPolarHBondContact O-CB 3.19Å
66	V	98.6	Very high	97	Very high	3 Å²	3	63.8 Å²	63.8	2%	0.018	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	170.5	-178.1	-60.1	0	0	0	0	111.7	Y40 A57 V68 V113 F114	Y40-V66 HydrophobicContact CD1-CG2 3.69Å; Y40-V66 HydrophobicContact CE1-CG2 4.04Å; A57-V66 HydrophobicContact CB-CG2 3.97Å; A57-V66 PolarHBondContact N-O 3.06Å; A57-V66 PolarHBondContact O-N 3.33Å; A57-V66 VanDerWaalsContact O-O 3.12Å; V66-V68 HydrophobicContact CG2-CG2 4.39Å; V66-V113 HydrophobicContact CB-CG1 3.81Å; V66-V113 HydrophobicContact CG1-CG1 4.19Å; V66-V113 HydrophobicContact CG2-CG1 3.82Å; V66-F114 WeakPolarHBondContact CA-O 3.21Å; V66-F114 WeakPolarHBondContact CB-O 3.28Å
67	V	98.6	Very high	96.9	Very high	23 Å²	23	67.2 Å²	67.2	14%	0.139	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	124.6	172.6	174	0	0	0	0	109.4	L46 V54 F55 V113 F114	L46-V67 HydrophobicContact CD1-CG1 4.31Å; L46-V67 HydrophobicContact CD1-CG2 4.04Å; V54-V67 HydrophobicContact CG1-CG1 3.38Å; F55-V67 CarbonylContact O-C 3.52Å; F55-V67 WeakPolarHBondContact O-CA 3.3Å; V67-V113 CarbonylContact O-C 3.57Å; V67-V113 WeakPolarHBondContact O-CA 3.37Å; V67-F114 HydrophobicContact CB-CB 4.42Å; V67-F114 PolarHBondContact N-O 3.48Å; V67-F114 PolarHBondContact O-N 2.85Å
68	V	98.6	Very high	96.8	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	116.1	178.8	-179	0	0	0	0	109.5	L42 V54 F55 A57 V66 I70 A111 V113	L42-V68 HydrophobicContact CD2-CB 3.97Å; L42-V68 HydrophobicContact CD2-CG1 4.19Å; L42-V68 HydrophobicContact CD2-CG2 4.1Å; V54-V68 WeakPolarHBondContact CA-O 3.47Å; F55-V68 PolarHBondContact N-O 3.34Å; F55-V68 PolarHBondContact O-N 2.84Å; A57-V68 HydrophobicContact CB-CB 4.5Å; A57-V68 HydrophobicContact CB-CG2 3.59Å; V66-V68 HydrophobicContact CG2-CG2 4.39Å; V68-I70 HydrophobicContact CG1-CG1 4.01Å; V68-A111 HydrophobicContact CG1-CB 3.85Å; V68-V113 HydrophobicContact CG2-CG2 4.37Å
69	K	98.4	Very high	96.8	Very high	15 Å²	15	67.5 Å²	67.5	7%	0.065	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	98.2	172.7	-176.3	-175.9	-174	-179.9	0	109	S52 E53 V54 L71 E82 A111 L112 F114 D176	S52-K69 WeakPolarHBondContact OG-CE 3.43Å; E53-K69 CarbonylContact O-C 3.52Å; V54-K69 HydrophobicContact CG2-CB 4.49Å; V54-K69 HydrophobicContact CG2-CG 4.2Å; K69-L71 HydrophobicContact CD-CD2 4.21Å; K69-L71 HydrophobicContact CG-CD2 4.16Å; K69-L71 PolarHBondContact O-N 3.11Å; K69-E82 IonicContact NZ-OE1 2.67Å; K69-E82 PolarHBondContact NZ-OE1 3.43Å; K69-E82 IonicContact NZ-OE2 3.92Å; K69-A111 VanDerWaalsContact O-CA 3.27Å; K69-A111 WeakPolarHBondContact O-CA 3.49Å; K69-L112 HydrophobicContact CB-CB 4.44Å; K69-L112 PolarHBondContact N-O 2.99Å; K69-L112 PolarHBondContact O-N 2.92Å; K69-F114 HydrophobicContact CB-CD2 4.34Å; K69-F114 HydrophobicContact CB-CE2 3.78Å; K69-F114 HydrophobicContact CD-CE2 4.07Å; K69-D176 IonicContact NZ-OD1 2.71Å; K69-D176 PolarHBondContact NZ-OD1 3.36Å
70	I	98.3	Very high	96.8	Very high	34 Å²	34	69.6 Å²	69.6	17%	0.174	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	124	174.3	-54.9	-177.9	0	0	0	108.4	L42 S52 E53 F55 V68 T109 A111	L42-I70 HydrophobicContact CD1-CD1 4.14Å; S52-I70 CarbonylContact C-O 3.28Å; S52-I70 WeakPolarHBondContact CA-O 3.42Å; S52-I70 VanDerWaalsContact CB-O 3.3Å; S52-I70 WeakPolarHBondContact CB-O 3.28Å; E53-I70 PolarHBondContact N-O 3.33Å; E53-I70 PolarHBondContact O-N 3.41Å; F55-I70 HydrophobicContact CD2-CD1 3.93Å; F55-I70 HydrophobicContact CD2-CG1 4.19Å; F55-I70 HydrophobicContact CE2-CD1 3.74Å; F55-I70 HydrophobicContact CE2-CG1 4.25Å; V68-I70 HydrophobicContact CG1-CG1 4.01Å; I70-T109 HydrophobicContact CG2-CG2 3.75Å; I70-A111 HydrophobicContact CB-CB 4.49Å; I70-A111 HydrophobicContact CG1-CB 4.17Å
71	L	97.2	Very high	96.9	Very high	8 Å²	8	66.8 Å²	66.8	4%	0.042	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	125.9	-177.1	-56.1	177.9	0	0	0	110.2	K69 I79 T109 P110 L112	K69-L71 HydrophobicContact CD-CD2 4.21Å; K69-L71 HydrophobicContact CG-CD2 4.16Å; K69-L71 PolarHBondContact O-N 3.11Å; L71-I79 HydrophobicContact CD1-CB 4.38Å; L71-I79 HydrophobicContact CD1-CD1 4.23Å; L71-I79 HydrophobicContact CD1-CG1 4.05Å; L71-I79 HydrophobicContact CD1-CG2 3.7Å; L71-T109 WeakPolarHBondContact O-CG2 3.47Å; L71-P110 HydrophobicContact CB-CG 4.29Å; L71-P110 WeakPolarHBondContact CB-O 3.36Å; L71-P110 HydrophobicContact CD1-CB 4.41Å; L71-P110 HydrophobicContact CD1-CG 4.32Å; L71-P110 PolarHBondContact N-O 2.93Å; L71-L112 HydrophobicContact CD1-CD1 4.43Å; L71-L112 HydrophobicContact CD1-CD2 4.47Å; L71-L112 HydrophobicContact CD1-CG 4.18Å; L71-L112 HydrophobicContact CD2-CD1 4.39Å; L71-L112 HydrophobicContact CD2-CG 4.48Å; L71-L112 HydrophobicContact CG-CG 4.48Å
72	K	95.1	Very high	97	Very high	51 Å²	51	62.6 Å²	62.6	22%	0.222	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-67.8	163.3	172.1	-65.9	-178.2	-171	168.8	0	110.3	G49 Y51 V74	G49-K72 PolarHBondContact O-NZ 3.12Å; Y51-K72 WeakPolarHBondContact O-CB 3.42Å; Y51-K72 PolarHBondContact O-N 3.35Å; K72-V74 PolarHBondContact O-N 3.44Å
73	P	94.3	Very high	97	Very high	139 Å²	139	59 Å²	59	90%	0.903	29%	0.286	S	S	*	.	S	Bend	trans	-52.9	109	176	-28.3	36.2	0	0	0	112.5
74	V	93.7	Very high	97.1	Very high	44 Å²	44	54.1 Å²	54.1	27%	0.267	26%	0.258	S	S	.	.			trans	-137.8	163.6	177	-65.6	0	0	0	0	109.7	Y51 K72 K76 I79	Y51-V74 HydrophobicContact CD1-CG1 3.61Å; Y51-V74 HydrophobicContact CE1-CG1 4.42Å; Y51-V74 HydrophobicContact CG-CG1 4.37Å; K72-V74 PolarHBondContact O-N 3.44Å; V74-K76 PolarHBondContact O-N 3.22Å; V74-I79 HydrophobicContact CG2-CD1 3.87Å; V74-I79 HydrophobicContact CG2-CG1 3.59Å
75	K	94.3	Very high	97.2	Very high	180 Å²	180	49.4 Å²	49.4	78%	0.783	24%	0.236	S	C	*	.			trans	-56.8	131.7	176.4	-66.3	-174.1	177.6	-175.2	0	110.3	K77 K78	K75-K77 PolarHBondContact O-N 3.27Å; K75-K77 VanDerWaalsContact O-N 3.11Å; K75-K78 WeakPolarHBondContact O-CB 3.4Å; K75-K78 PolarHBondContact O-N 3.29Å
76	K	94.9	Very high	97.2	Very high	172 Å²	172	44.8 Å²	44.8	75%	0.748	22%	0.216	S	C	*	.	H	α-helix	trans	-51	-37.9	177.9	-68.8	-177.2	-179.9	176.8	0	112.9	V74 K78 I79 K80	V74-K76 PolarHBondContact O-N 3.22Å; K76-K78 PolarHBondContact O-N 3.18Å; K76-I79 PolarHBondContact O-N 3.16Å; K76-I79 VanDerWaalsContact O-N 3.08Å; K76-K80 PolarHBondContact O-N 3.37Å
77	K	95.9	Very high	97.2	Very high	94 Å²	94	48.1 Å²	48.1	41%	0.409	23%	0.232	S	C	.	.	H	α-helix	trans	-51	-41	174.2	179.7	173.1	176	166.4	0	112.7	Y27 E28 K75 R81	Y27-K77 HydrophobicContact CD2-CG 4.33Å; Y27-K77 HydrophobicContact CE2-CD 4.19Å; Y27-K77 VanDerWaalsContact CE2-CE 3.49Å; Y27-K77 HydrophobicContact CE2-CG 3.6Å; Y27-K77 VanDerWaalsContact OH-CE 3.22Å; Y27-K77 WeakPolarHBondContact OH-CE 3.42Å; E28-K77 HydrophobicContact CG-CD 4.05Å; E28-K77 HydrophobicContact CG-CG 4.06Å; E28-K77 WeakPolarHBondContact OE1-CD 3.49Å; E28-K77 WeakPolarHBondContact OE1-CE 3.49Å; E28-K77 IonicContact OE1-NZ 2.72Å; E28-K77 PolarHBondContact OE1-NZ 3.38Å; K75-K77 PolarHBondContact O-N 3.27Å; K75-K77 VanDerWaalsContact O-N 3.11Å; K77-R81 WeakPolarHBondContact O-CB 3.49Å; K77-R81 PolarHBondContact O-N 3.28Å
78	K	96.3	Very high	97.2	Very high	35 Å²	35	48.2 Å²	48.2	15%	0.152	23%	0.231	C	C	.	.	H	α-helix	trans	-69.7	-39.6	179.3	-169.7	179	178.3	-179	0	112	K75 K76 R81 E82 G178	K75-K78 WeakPolarHBondContact O-CB 3.4Å; K75-K78 PolarHBondContact O-N 3.29Å; K76-K78 PolarHBondContact O-N 3.18Å; K78-R81 PolarHBondContact O-N 2.95Å; K78-E82 PolarHBondContact O-N 3.1Å; K78-E82 VanDerWaalsContact O-N 3.07Å; K78-G178 WeakPolarHBondContact CE-O 3.42Å
79	I	97.5	Very high	97.2	Very high	17 Å²	17	48.2 Å²	48.2	9%	0.087	23%	0.231	C	C	.	.	H	α-helix	trans	-65	-49.1	177.8	-55.2	-178.6	0	0	0	110.1	W34 L71 V74 K76 R81 E82 I83 P110	W34-I79 HydrophobicContact CH2-CG2 3.97Å; W34-I79 HydrophobicContact CZ2-CG2 4.36Å; L71-I79 HydrophobicContact CD1-CB 4.38Å; L71-I79 HydrophobicContact CD1-CD1 4.23Å; L71-I79 HydrophobicContact CD1-CG1 4.05Å; L71-I79 HydrophobicContact CD1-CG2 3.7Å; V74-I79 HydrophobicContact CG2-CD1 3.87Å; V74-I79 HydrophobicContact CG2-CG1 3.59Å; K76-I79 PolarHBondContact O-N 3.16Å; K76-I79 VanDerWaalsContact O-N 3.08Å; I79-R81 VanDerWaalsContact C-N 3.28Å; I79-R81 PolarHBondContact O-N 3.45Å; I79-E82 PolarHBondContact O-N 3.3Å; I79-I83 HydrophobicContact CG2-CD1 3.84Å; I79-I83 WeakPolarHBondContact O-CG1 3.28Å; I79-I83 PolarHBondContact O-N 3.5Å; I79-P110 HydrophobicContact CD1-CG 3.71Å
80	K	98.4	Very high	97.2	Very high	56 Å²	56	55 Å²	55	24%	0.243	26%	0.256	C	S	.	.	H	α-helix	trans	-59.4	-40.3	177.3	-66.6	-173	174.4	-156.9	0	112	Y27 E28 H30 P32 K76 K84	Y27-K80 WeakPolarHBondContact O-CB 3.4Å; Y27-K80 WeakPolarHBondContact O-CD 3.33Å; E28-K80 PolarHBondContact O-NZ 3.08Å; H30-K80 VanDerWaalsContact O-CD 3.29Å; H30-K80 WeakPolarHBondContact O-CD 3.16Å; H30-K80 WeakPolarHBondContact O-CE 3.35Å; H30-K80 PolarHBondContact O-NZ 3.41Å; P32-K80 HydrophobicContact CG-CG 4.47Å; K76-K80 PolarHBondContact O-N 3.37Å; K80-K84 WeakPolarHBondContact O-CB 3.4Å; K80-K84 PolarHBondContact O-N 3.43Å
81	R	98.7	Very high	97.1	Very high	29 Å²	29	57 Å²	57	11%	0.109	29%	0.285	C	S	.	.	H	α-helix	trans	-60.5	-50.3	175.9	-172.9	177.6	65.3	-162.8	15.4	112.4	Y27 K77 K78 I79 I83 K84 I85 G178 A180 E181	Y27-R81 HydrophobicContact CD1-CB 4.23Å; Y27-R81 HydrophobicContact CD1-CG 3.9Å; Y27-R81 HydrophobicContact CD2-CB 3.59Å; Y27-R81 HydrophobicContact CD2-CG 4.16Å; Y27-R81 HydrophobicContact CE1-CB 4.35Å; Y27-R81 HydrophobicContact CE1-CG 3.87Å; Y27-R81 HydrophobicContact CE2-CB 3.72Å; Y27-R81 HydrophobicContact CE2-CG 4.11Å; Y27-R81 HydrophobicContact CG-CB 3.85Å; Y27-R81 HydrophobicContact CG-CG 4.04Å; K77-R81 WeakPolarHBondContact O-CB 3.49Å; K77-R81 PolarHBondContact O-N 3.28Å; K78-R81 PolarHBondContact O-N 2.95Å; I79-R81 VanDerWaalsContact C-N 3.28Å; I79-R81 PolarHBondContact O-N 3.45Å; R81-I83 PolarHBondContact O-N 2.94Å; R81-K84 PolarHBondContact O-N 2.98Å; R81-I85 HydrophobicContact CG-CD1 3.83Å; R81-I85 HydrophobicContact CG-CG1 4.48Å; R81-I85 WeakPolarHBondContact O-CB 3.31Å; R81-I85 WeakPolarHBondContact O-CG1 3.41Å; R81-I85 PolarHBondContact O-N 3.49Å; R81-G178 PolarHBondContact NH2-O 3.42Å; R81-A180 WeakPolarHBondContact CD-O 3.28Å; R81-A180 PolarHBondContact NE-O 2.96Å; R81-E181 WeakPolarHBondContact CD-OE1 3.45Å; R81-E181 IonicContact CZ-OE2 3.11Å; R81-E181 VanDerWaalsContact CZ-OE2 3.26Å; R81-E181 IonicContact NE-OE1 3.98Å; R81-E181 IonicContact NE-OE2 2.71Å; R81-E181 IonicContact NH1-OE1 3.97Å; R81-E181 IonicContact NH1-OE2 3.26Å; R81-E181 PolarHBondContact NH1-OE2 3.31Å; R81-E181 IonicContact NH2-OE2 2.69Å
82	E	98.6	Very high	97.2	Very high	10 Å²	10	57 Å²	57	5%	0.047	29%	0.287	C	S	.	.	H	α-helix	trans	-60.9	-45.3	-179.6	-176.3	171.1	179.4	0	0	111.3	K69 K78 I79 L86 L112 G178	K69-E82 IonicContact NZ-OE1 2.67Å; K69-E82 PolarHBondContact NZ-OE1 3.43Å; K69-E82 IonicContact NZ-OE2 3.92Å; K78-E82 PolarHBondContact O-N 3.1Å; K78-E82 VanDerWaalsContact O-N 3.07Å; I79-E82 PolarHBondContact O-N 3.3Å; E82-L86 HydrophobicContact CG-CD1 3.95Å; E82-L86 WeakPolarHBondContact O-CB 3.18Å; E82-L86 WeakPolarHBondContact O-CD1 3.37Å; E82-L86 VanDerWaalsContact O-CG 3.29Å; E82-L86 WeakPolarHBondContact O-CG 3.45Å; E82-L86 PolarHBondContact O-N 3.07Å; E82-L112 HydrophobicContact CG-CD1 3.98Å; E82-G178 VanDerWaalsContact CD-CA 3.49Å; E82-G178 WeakPolarHBondContact OE2-CA 3.08Å
83	I	98.6	Very high	97.3	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-60.9	-51.4	176.2	-67	170	0	0	0	110.6	P32 W34 I79 R81 I85 L86 E87 T101 L112	P32-I83 HydrophobicContact CB-CD1 3.85Å; P32-I83 HydrophobicContact CB-CG2 4.24Å; P32-I83 HydrophobicContact CG-CD1 3.76Å; P32-I83 HydrophobicContact CG-CG2 4.36Å; W34-I83 HydrophobicContact CH2-CD1 3.56Å; W34-I83 HydrophobicContact CZ2-CD1 3.9Å; W34-I83 HydrophobicContact CZ3-CD1 4.33Å; I79-I83 HydrophobicContact CG2-CD1 3.84Å; I79-I83 WeakPolarHBondContact O-CG1 3.28Å; I79-I83 PolarHBondContact O-N 3.5Å; R81-I83 PolarHBondContact O-N 2.94Å; I83-I85 VanDerWaalsContact C-N 3.3Å; I83-I85 PolarHBondContact O-N 2.97Å; I83-L86 PolarHBondContact O-N 3.46Å; I83-L86 VanDerWaalsContact O-N 3.11Å; I83-E87 HydrophobicContact CG2-CG 4.19Å; I83-E87 WeakPolarHBondContact O-CG 3.47Å; I83-E87 PolarHBondContact O-N 2.98Å; I83-T101 HydrophobicContact CD1-CG2 3.97Å; I83-T101 HydrophobicContact CG1-CG2 4Å; I83-T101 HydrophobicContact CG2-CG2 4.08Å; I83-L112 HydrophobicContact CD1-CD2 3.97Å; I83-L112 HydrophobicContact CG1-CD2 3.62Å
84	K	98.8	Very high	97.5	Very high	28 Å²	28	52.2 Å²	52.2	12%	0.122	26%	0.259	C	S	.	.	H	α-helix	trans	-61.6	-38.9	-176.5	-175.7	54.7	176.5	169.7	0	112.4	E23 Y24 K80 R81 N88 F182	E23-K84 WeakPolarHBondContact O-CE 3.46Å; E23-K84 PolarHBondContact O-NZ 2.83Å; Y24-K84 WeakPolarHBondContact O-CE 3.38Å; K80-K84 WeakPolarHBondContact O-CB 3.4Å; K80-K84 PolarHBondContact O-N 3.43Å; R81-K84 PolarHBondContact O-N 2.98Å; K84-N88 WeakPolarHBondContact CE-OD1 3.04Å; K84-N88 PolarHBondContact NZ-OD1 3.34Å; K84-N88 WeakPolarHBondContact O-CB 3.49Å; K84-N88 PolarHBondContact O-N 3.23Å; K84-N88 PolarHBondContact O-OD1 3.15Å; K84-F182 HydrophobicContact CG-CE2 4.43Å; K84-F182 HydrophobicContact CG-CZ 4.15Å
85	I	98.9	Very high	97.7	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-63.9	-48	174.1	-76.2	175	0	0	0	110.8	R81 I83 E87 N88 L89 I153 W177 A180 F182	R81-I85 HydrophobicContact CG-CD1 3.83Å; R81-I85 HydrophobicContact CG-CG1 4.48Å; R81-I85 WeakPolarHBondContact O-CB 3.31Å; R81-I85 WeakPolarHBondContact O-CG1 3.41Å; R81-I85 PolarHBondContact O-N 3.49Å; I83-I85 VanDerWaalsContact C-N 3.3Å; I83-I85 PolarHBondContact O-N 2.97Å; I85-E87 VanDerWaalsContact C-N 3.33Å; I85-E87 PolarHBondContact O-N 2.73Å; I85-N88 PolarHBondContact O-N 3.3Å; I85-L89 HydrophobicContact CG2-CD1 3.76Å; I85-L89 HydrophobicContact CG2-CG 4.43Å; I85-L89 WeakPolarHBondContact O-CB 3.46Å; I85-L89 VanDerWaalsContact O-CG 3.29Å; I85-L89 WeakPolarHBondContact O-CG 3.35Å; I85-L89 PolarHBondContact O-N 2.82Å; I85-I153 HydrophobicContact CD1-CG2 4.19Å; I85-I153 HydrophobicContact CG1-CD1 4.25Å; I85-I153 HydrophobicContact CG1-CG1 4.42Å; I85-I153 HydrophobicContact CG1-CG2 4.39Å; I85-I153 HydrophobicContact CG2-CD1 4.23Å; I85-I153 HydrophobicContact CG2-CG2 3.95Å; I85-W177 HydrophobicContact CG2-CB 4.11Å; I85-W177 HydrophobicContact CG2-CD2 4.22Å; I85-W177 HydrophobicContact CG2-CE3 3.74Å; I85-W177 HydrophobicContact CG2-CG 4.4Å; I85-A180 HydrophobicContact CD1-CB 3.64Å; I85-A180 HydrophobicContact CG2-CB 4.2Å; I85-F182 HydrophobicContact CD1-CD2 4.44Å; I85-F182 HydrophobicContact CD1-CE2 4.16Å; I85-F182 HydrophobicContact CG1-CD2 4.27Å; I85-F182 HydrophobicContact CG1-CE1 4.48Å; I85-F182 HydrophobicContact CG1-CE2 3.55Å; I85-F182 HydrophobicContact CG1-CZ 3.67Å
86	L	98.8	Very high	97.9	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.01	21%	0.214	C	C	.	.	H	α-helix	trans	-63.2	-37.9	179.1	-76.4	165.9	0	0	0	112.8	E82 I83 R90 I96 L98 L112 F114 W177	E82-L86 HydrophobicContact CG-CD1 3.95Å; E82-L86 WeakPolarHBondContact O-CB 3.18Å; E82-L86 WeakPolarHBondContact O-CD1 3.37Å; E82-L86 VanDerWaalsContact O-CG 3.29Å; E82-L86 WeakPolarHBondContact O-CG 3.45Å; E82-L86 PolarHBondContact O-N 3.07Å; I83-L86 PolarHBondContact O-N 3.46Å; I83-L86 VanDerWaalsContact O-N 3.11Å; L86-R90 PolarHBondContact O-N 3.28Å; L86-R90 VanDerWaalsContact O-N 3.11Å; L86-I96 HydrophobicContact CD2-CG2 4.01Å; L86-L98 HydrophobicContact CB-CB 4.05Å; L86-L98 HydrophobicContact CB-CD2 3.8Å; L86-L98 HydrophobicContact CB-CG 4.5Å; L86-L98 HydrophobicContact CD1-CB 4.5Å; L86-L98 HydrophobicContact CD1-CD1 4.29Å; L86-L98 HydrophobicContact CD1-CD2 4.29Å; L86-L112 HydrophobicContact CD1-CD1 4.11Å; L86-F114 HydrophobicContact CD1-CE1 3.71Å; L86-F114 HydrophobicContact CD1-CZ 3.86Å; L86-F114 HydrophobicContact CD2-CE1 4.04Å; L86-W177 HydrophobicContact CD2-CB 4.22Å; L86-W177 VanDerWaalsContact CD2-CD1 3.44Å; L86-W177 HydrophobicContact CD2-CG 3.9Å; L86-W177 HydrophobicContact CG-CB 4.25Å; L86-W177 HydrophobicContact CG-CG 4.42Å
87	E	98.4	Very high	98.1	Very high	74 Å²	74	39.1 Å²	39.1	35%	0.346	20%	0.197	S	C	.	.	H	α-helix	trans	-63.1	-48.2	173.2	-73.6	178.2	167.9	0	0	111.3	H30 I83 I85 L89 R90	H30-E87 IonicContact CE1-OE1 3.36Å; H30-E87 IonicContact CE1-OE2 3.63Å; H30-E87 PolarHBondContact CE1-OE2 3.06Å; H30-E87 IonicContact ND1-OE2 2.75Å; H30-E87 IonicContact NE2-OE1 2.82Å; H30-E87 IonicContact NE2-OE2 3.97Å; I83-E87 HydrophobicContact CG2-CG 4.19Å; I83-E87 WeakPolarHBondContact O-CG 3.47Å; I83-E87 PolarHBondContact O-N 2.98Å; I85-E87 VanDerWaalsContact C-N 3.33Å; I85-E87 PolarHBondContact O-N 2.73Å; E87-L89 VanDerWaalsContact C-N 3.28Å; E87-L89 PolarHBondContact O-N 2.99Å; E87-R90 VanDerWaalsContact O-CB 3.27Å; E87-R90 WeakPolarHBondContact O-CB 3.39Å; E87-R90 PolarHBondContact O-N 2.99Å
88	N	98.7	Very high	98.2	Very high	24 Å²	24	35.2 Å²	35.2	13%	0.128	18%	0.18	C	C	.	.	H	α-helix	trans	-65.5	-31.2	-179.8	-71.6	-3.4	0	0	0	112.5	Y24 K84 I85 M151 I153 F182	Y24-N88 HydrophobicContact CE2-CB 3.94Å; Y24-N88 WeakPolarHBondContact CE2-ND2 3.46Å; Y24-N88 PolarHBondContact O-ND2 3.38Å; K84-N88 WeakPolarHBondContact CE-OD1 3.04Å; K84-N88 PolarHBondContact NZ-OD1 3.34Å; K84-N88 WeakPolarHBondContact O-CB 3.49Å; K84-N88 PolarHBondContact O-N 3.23Å; K84-N88 PolarHBondContact O-OD1 3.15Å; I85-N88 PolarHBondContact O-N 3.3Å; N88-M151 WeakPolarHBondContact O-CE 3.49Å; N88-I153 HydrophobicContact CB-CD1 4.39Å; N88-F182 WeakPolarHBondContact ND2-CE1 3.28Å; N88-F182 WeakPolarHBondContact ND2-CZ 3.42Å
89	L	98.8	Very high	98.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	1.7	179.5	-62.3	177.4	0	0	0	113.7	I85 E87 G91 G92 I95 Y147 C148 M151 I153 W177	I85-L89 HydrophobicContact CG2-CD1 3.76Å; I85-L89 HydrophobicContact CG2-CG 4.43Å; I85-L89 WeakPolarHBondContact O-CB 3.46Å; I85-L89 VanDerWaalsContact O-CG 3.29Å; I85-L89 WeakPolarHBondContact O-CG 3.35Å; I85-L89 PolarHBondContact O-N 2.82Å; E87-L89 VanDerWaalsContact C-N 3.28Å; E87-L89 PolarHBondContact O-N 2.99Å; L89-G91 PolarHBondContact O-N 3.08Å; L89-G92 PolarHBondContact O-N 3.47Å; L89-I95 HydrophobicContact CB-CG2 3.96Å; L89-Y147 HydrophobicContact CB-CE1 4.34Å; L89-Y147 HydrophobicContact CD2-CD1 4.06Å; L89-Y147 HydrophobicContact CD2-CE1 3.84Å; L89-C148 HydrophobicContact CD1-CB 3.96Å; L89-C148 HydrophobicContact CD2-CB 3.89Å; L89-M151 HydrophobicContact CD2-CB 3.66Å; L89-M151 HydrophobicContact CD2-CG 4.01Å; L89-I153 HydrophobicContact CD1-CD1 4.14Å; L89-I153 HydrophobicContact CD1-CG2 4.33Å; L89-I153 HydrophobicContact CD2-CD1 3.79Å; L89-I153 HydrophobicContact CG-CD1 3.8Å; L89-W177 HydrophobicContact CD1-CD2 4Å; L89-W177 HydrophobicContact CD1-CE3 3.52Å; L89-W177 HydrophobicContact CD1-CH2 3.54Å; L89-W177 HydrophobicContact CD1-CZ2 4Å; L89-W177 HydrophobicContact CD1-CZ3 3.27Å
90	R	96.9	Very high	98.3	Very high	157 Å²	157	35.9 Å²	35.9	59%	0.592	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	128.8	-177.3	-175.7	179.4	177.8	176.9	2.1	110.6	L86 E87 G92	L86-R90 PolarHBondContact O-N 3.28Å; L86-R90 VanDerWaalsContact O-N 3.11Å; E87-R90 VanDerWaalsContact O-CB 3.27Å; E87-R90 WeakPolarHBondContact O-CB 3.39Å; E87-R90 PolarHBondContact O-N 2.99Å; R90-G92 VanDerWaalsContact C-N 3.28Å
91	G	96.8	Very high	98.3	Very high	76 Å²	76	33.7 Å²	33.7	78%	0.784	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.6	-2.8	-177.5	0	0	0	0	0	114	L89	L89-G91 PolarHBondContact O-N 3.08Å
92	G	98.2	Very high	98.3	Very high	8 Å²	8	32.3 Å²	32.3	8%	0.082	17%	0.173	C	C	.	.			trans	-62.2	145.1	172	0	0	0	0	0	113.6	L89 R90 N94 I95	L89-G92 PolarHBondContact O-N 3.47Å; R90-G92 VanDerWaalsContact C-N 3.28Å; G92-N94 PolarHBondContact O-N 3.31Å; G92-I95 PolarHBondContact O-N 3.01Å
93	T	98	Very high	98.3	Very high	73 Å²	73	33.8 Å²	33.8	45%	0.448	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	123.5	177.9	-56.2	0	0	0	0	110.6	I95 K143 A144	T93-I95 PolarHBondContact O-N 3.03Å; T93-I95 VanDerWaalsContact O-N 3.09Å; T93-K143 HydrophobicContact CG2-CB 3.89Å; T93-K143 HydrophobicContact CG2-CD 4.06Å; T93-A144 WeakPolarHBondContact O-CA 3.29Å
94	N	98.6	Very high	98.2	Very high	17 Å²	17	35.9 Å²	35.9	9%	0.091	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	20	178.1	-59.9	-28.6	0	0	0	115.2	G92 E140 A144 L172 R173 L174	G92-N94 PolarHBondContact O-N 3.31Å; N94-E140 PolarHBondContact ND2-O 3.3Å; N94-E140 PolarHBondContact ND2-OE2 3.21Å; N94-A144 HydrophobicContact CB-CB 4.06Å; N94-L172 HydrophobicContact CB-CD2 4.13Å; N94-L172 WeakPolarHBondContact CB-O 3.3Å; N94-L172 PolarHBondContact OD1-O 3.29Å; N94-R173 CarbonylContact O-C 3.44Å; N94-R173 VanDerWaalsContact O-CA 3.31Å; N94-R173 WeakPolarHBondContact O-CA 3.34Å; N94-R173 PolarHBondContact OD1-NH1 3.49Å; N94-L174 PolarHBondContact O-N 3.01Å
95	I	98.8	Very high	98	Very high	8 Å²	8	36.9 Å²	36.9	4%	0.041	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-88.9	136.2	169.4	-51.7	-63.7	0	0	0	109	L89 G92 T93 R97 A144 Y147 R173 W177	L89-I95 HydrophobicContact CB-CG2 3.96Å; G92-I95 PolarHBondContact O-N 3.01Å; T93-I95 PolarHBondContact O-N 3.03Å; T93-I95 VanDerWaalsContact O-N 3.09Å; I95-R97 PolarHBondContact O-N 3.39Å; I95-A144 HydrophobicContact CD1-CB 3.99Å; I95-Y147 HydrophobicContact CD1-CD1 4.33Å; I95-Y147 HydrophobicContact CG1-CD1 3.9Å; I95-Y147 HydrophobicContact CG1-CE1 4.36Å; I95-R173 WeakPolarHBondContact O-CD 3.4Å; I95-W177 HydrophobicContact CD1-CH2 3.72Å; I95-W177 HydrophobicContact CD1-CZ2 3.44Å; I95-W177 VanDerWaalsContact CD1-CZ2 3.44Å; I95-W177 HydrophobicContact CG2-CZ2 3.93Å
96	I	98.6	Very high	97.9	Very high	9 Å²	9	43.1 Å²	43.1	5%	0.046	24%	0.238	C	C	.	.			trans	-56.6	129.3	172.4	-172.9	71.5	0	0	0	111.6	L86 L98 F114 E115 I117 L174 I175	L86-I96 HydrophobicContact CD2-CG2 4.01Å; I96-L98 PolarHBondContact O-N 3.05Å; I96-F114 HydrophobicContact CD1-CB 4.24Å; I96-F114 HydrophobicContact CG1-CB 4Å; I96-F114 HydrophobicContact CG1-CD1 3.62Å; I96-F114 HydrophobicContact CG1-CE1 4.41Å; I96-F114 HydrophobicContact CG1-CG 4.07Å; I96-F114 HydrophobicContact CG2-CD1 4.25Å; I96-F114 HydrophobicContact CG2-CE1 4.27Å; I96-E115 HydrophobicContact CD1-CG 3.61Å; I96-I117 HydrophobicContact CD1-CD1 3.42Å; I96-I117 VanDerWaalsContact CD1-CD1 3.42Å; I96-I117 HydrophobicContact CD1-CG1 4.24Å; I96-L174 WeakPolarHBondContact CG2-O 3.37Å; I96-L174 PolarHBondContact N-O 3.23Å; I96-I175 HydrophobicContact CB-CG2 4.03Å; I96-I175 HydrophobicContact CD1-CG2 4.22Å; I96-I175 HydrophobicContact CG1-CG2 4.29Å; I96-I175 HydrophobicContact CG2-CB 4.48Å; I96-I175 HydrophobicContact CG2-CG2 4.46Å
97	R	98.1	Very high	97.8	Very high	104 Å²	104	46.3 Å²	46.3	39%	0.392	26%	0.26	S	S	.	.			trans	-77.7	115.5	175.8	-172.1	171.7	64.4	120.2	3	111.3	I95 V99 F114 E115	I95-R97 PolarHBondContact O-N 3.39Å; R97-V99 PolarHBondContact O-N 2.81Å; R97-F114 WeakPolarHBondContact O-CA 3.35Å; R97-E115 HydrophobicContact CB-CB 4.31Å; R97-E115 HydrophobicContact CB-CG 3.97Å; R97-E115 WeakPolarHBondContact CB-OE1 3.3Å; R97-E115 PolarHBondContact N-OE1 2.93Å; R97-E115 PolarHBondContact O-N 3.35Å; R97-E115 VanDerWaalsContact O-N 3.13Å
98	L	98.5	Very high	97.6	Very high	13 Å²	13	50.2 Å²	50.2	7%	0.068	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	116.8	161.1	-178.6	69.1	0	0	0	108.3	L86 I96 D100 T101 L112 F114	L86-L98 HydrophobicContact CB-CB 4.05Å; L86-L98 HydrophobicContact CB-CD2 3.8Å; L86-L98 HydrophobicContact CB-CG 4.5Å; L86-L98 HydrophobicContact CD1-CB 4.5Å; L86-L98 HydrophobicContact CD1-CD1 4.29Å; L86-L98 HydrophobicContact CD1-CD2 4.29Å; I96-L98 PolarHBondContact O-N 3.05Å; L98-D100 WeakPolarHBondContact CD1-O 3.02Å; L98-T101 HydrophobicContact CD1-CG2 4.36Å; L98-T101 HydrophobicContact CD2-CG2 4.01Å; L98-L112 HydrophobicContact CD1-CB 3.97Å; L98-L112 HydrophobicContact CD1-CD2 4.46Å; L98-F114 HydrophobicContact CB-CD1 4.42Å; L98-F114 HydrophobicContact CB-CE1 4.27Å; L98-F114 HydrophobicContact CD1-CD1 4.26Å; L98-F114 HydrophobicContact CD1-CE1 3.85Å; L98-F114 HydrophobicContact CD1-CZ 4.16Å
99	V	98.1	Very high	97.6	Very high	41 Å²	41	51.3 Å²	51.3	25%	0.248	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	-47.1	179.6	174.4	0	0	0	0	109.9	R97 V113	R97-V99 PolarHBondContact O-N 2.81Å; V99-V113 HydrophobicContact CB-CG1 4.28Å; V99-V113 PolarHBondContact N-O 2.88Å
100	D	98.2	Very high	97.5	Very high	24 Å²	24	52.3 Å²	52.3	13%	0.128	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	160.3	-176.3	-158.9	7.3	0	0	0	113	N35 Y40 L98 V102 V113	N35-D100 WeakPolarHBondContact CB-OD2 3.24Å; N35-D100 VanDerWaalsContact ND2-CG 3.31Å; N35-D100 PolarHBondContact ND2-OD1 2.93Å; N35-D100 PolarHBondContact ND2-OD2 3.43Å; Y40-D100 WeakPolarHBondContact OH-CB 3.48Å; Y40-D100 PolarHBondContact OH-OD2 3.18Å; L98-D100 WeakPolarHBondContact CD1-O 3.02Å; D100-V102 HydrophobicContact CB-CG1 4.34Å; D100-V102 WeakPolarHBondContact OD2-CG1 3.24Å; D100-V113 HydrophobicContact CB-CB 3.97Å; D100-V113 HydrophobicContact CB-CG2 4.12Å; D100-V113 PolarHBondContact N-O 2.91Å; D100-V113 PolarHBondContact O-N 3.02Å
101	T	98.5	Very high	97.6	Very high	10 Å²	10	44.9 Å²	44.9	6%	0.061	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	111.7	172.5	42.5	0	0	0	0	109.2	N33 W34 N35 I83 L98 L112	N33-T101 WeakPolarHBondContact O-CB 3.42Å; N33-T101 PolarHBondContact O-OG1 3.37Å; W34-T101 WeakPolarHBondContact CA-O 3.3Å; N35-T101 PolarHBondContact N-O 3.25Å; I83-T101 HydrophobicContact CD1-CG2 3.97Å; I83-T101 HydrophobicContact CG1-CG2 4Å; I83-T101 HydrophobicContact CG2-CG2 4.08Å; L98-T101 HydrophobicContact CD1-CG2 4.36Å; L98-T101 HydrophobicContact CD2-CG2 4.01Å; T101-L112 HydrophobicContact CG2-CD2 3.82Å
102	V	98.5	Very high	97.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	159.7	-171.3	-58.9	0	0	0	0	112.4	W34 N35 Q37 Y40 D100 P110 A111 V113	W34-V102 VanDerWaalsContact CE3-O 3.3Å; W34-V102 WeakPolarHBondContact CZ3-O 3.48Å; N35-V102 HydrophobicContact CB-CG1 4.12Å; N35-V102 VanDerWaalsContact O-CA 3.29Å; N35-V102 WeakPolarHBondContact O-CA 3.4Å; Q37-V102 HydrophobicContact CB-CB 4.07Å; Q37-V102 HydrophobicContact CB-CG2 3.85Å; Q37-V102 HydrophobicContact CG-CG2 3.87Å; Y40-V102 HydrophobicContact CD2-CG1 4.05Å; Y40-V102 HydrophobicContact CE2-CG1 3.64Å; D100-V102 HydrophobicContact CB-CG1 4.34Å; D100-V102 WeakPolarHBondContact OD2-CG1 3.24Å; V102-P110 WeakPolarHBondContact O-CA 3.46Å; V102-A111 HydrophobicContact CG2-CB 3.82Å; V102-A111 PolarHBondContact N-O 3.45Å; V102-A111 PolarHBondContact O-N 3.02Å; V102-V113 HydrophobicContact CG1-CG2 4.05Å; V102-V113 HydrophobicContact CG2-CG2 3.98Å
103	K	97.9	Very high	97.7	Very high	42 Å²	42	40.9 Å²	40.9	18%	0.183	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	141.2	166.1	-85.1	172	-179.6	155.4	0	110.3	W34 N35 Q37 T109 P110	W34-K103 HydrophobicContact CB-CD 4.12Å; W34-K103 HydrophobicContact CB-CG 4.43Å; W34-K103 HydrophobicContact CD2-CD 3.79Å; W34-K103 VanDerWaalsContact CD2-CE 3.41Å; W34-K103 HydrophobicContact CD2-CG 3.92Å; W34-K103 VanDerWaalsContact CE2-CE 3.46Å; W34-K103 VanDerWaalsContact CE2-NZ 3.26Å; W34-K103 HydrophobicContact CE3-CD 4.08Å; W34-K103 HydrophobicContact CE3-CG 3.67Å; W34-K103 HydrophobicContact CG-CD 3.8Å; W34-K103 HydrophobicContact CG-CG 4.27Å; W34-K103 HydrophobicContact CZ3-CG 4.23Å; N35-K103 PolarHBondContact O-N 3.42Å; Q37-K103 WeakPolarHBondContact CB-O 3.43Å; Q37-K103 PolarHBondContact N-O 3.42Å; Q37-K103 VanDerWaalsContact N-O 3.16Å; K103-T109 WeakPolarHBondContact CA-O 3.2Å; K103-P110 HydrophobicContact CG-CB 4.23Å
104	D	96.8	Very high	97.7	Very high	44 Å²	44	38.3 Å²	38.3	24%	0.235	20%	0.199	C	C	.	.			trans	-60.1	126.1	163.7	-179.4	-102.6	0	0	0	109.5	V106 S107 R108 T109	D104-V106 PolarHBondContact O-N 2.77Å; D104-V106 PolarHBondContact OD1-N 2.9Å; D104-S107 WeakPolarHBondContact CB-OG 3.39Å; D104-S107 VanDerWaalsContact CG-OG 3.26Å; D104-S107 WeakPolarHBondContact OD1-CA 3.36Å; D104-S107 VanDerWaalsContact OD1-CB 3.25Å; D104-S107 WeakPolarHBondContact OD1-CB 3.18Å; D104-S107 PolarHBondContact OD1-N 3.27Å; D104-S107 PolarHBondContact OD1-OG 2.97Å; D104-R108 WeakPolarHBondContact O-CA 3.46Å; D104-R108 PolarHBondContact O-N 3.2Å; D104-T109 PolarHBondContact N-O 3.2Å; D104-T109 VanDerWaalsContact N-O 3.07Å
105	P	94.9	Very high	97.7	Very high	49 Å²	49	39.2 Å²	39.2	32%	0.318	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-28.5	-172.7	22.4	-31	0	0	0	112.6	E38	E38-P105 HydrophobicContact CG-CG 3.94Å; E38-P105 WeakPolarHBondContact OE1-CG 3.47Å
106	V	95.9	Very high	97.6	Very high	130 Å²	130	41 Å²	41	79%	0.788	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-61.5	-176.2	-177.5	0	0	0	0	111.6	D104 R108	D104-V106 PolarHBondContact O-N 2.77Å; D104-V106 PolarHBondContact OD1-N 2.9Å; V106-R108 VanDerWaalsContact C-N 3.31Å; V106-R108 PolarHBondContact O-N 2.58Å
107	S	95.8	Very high	97.4	Very high	69 Å²	69	42.4 Å²	42.4	48%	0.483	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-15.9	-176.9	69.6	0	0	0	0	113.6	D104 T109	D104-S107 WeakPolarHBondContact CB-OG 3.39Å; D104-S107 VanDerWaalsContact CG-OG 3.26Å; D104-S107 WeakPolarHBondContact OD1-CA 3.36Å; D104-S107 VanDerWaalsContact OD1-CB 3.25Å; D104-S107 WeakPolarHBondContact OD1-CB 3.18Å; D104-S107 PolarHBondContact OD1-N 3.27Å; D104-S107 PolarHBondContact OD1-OG 2.97Å; S107-T109 PolarHBondContact O-N 3.37Å; S107-T109 VanDerWaalsContact O-N 3.14Å; S107-T109 WeakPolarHBondContact OG-CB 3.4Å; S107-T109 PolarHBondContact OG-N 2.93Å; S107-T109 PolarHBondContact OG-OG1 3.07Å
108	R	95.8	Very high	97.1	Very high	156 Å²	156	42.1 Å²	42.1	59%	0.589	23%	0.23	S	C	*	.			trans	60.1	17.3	-174.5	-53.1	-66.4	-69	169.7	-3.9	113.6	D104 V106	D104-R108 WeakPolarHBondContact O-CA 3.46Å; D104-R108 PolarHBondContact O-N 3.2Å; V106-R108 VanDerWaalsContact C-N 3.31Å; V106-R108 PolarHBondContact O-N 2.58Å
109	T	97.2	Very high	96.9	Very high	47 Å²	47	44.3 Å²	44.3	29%	0.288	24%	0.241	S	C	.	.			trans	-67.6	124.9	177.2	-55.9	0	0	0	0	109.3	I70 L71 K103 D104 S107	I70-T109 HydrophobicContact CG2-CG2 3.75Å; L71-T109 WeakPolarHBondContact O-CG2 3.47Å; K103-T109 WeakPolarHBondContact CA-O 3.2Å; D104-T109 PolarHBondContact N-O 3.2Å; D104-T109 VanDerWaalsContact N-O 3.07Å; S107-T109 PolarHBondContact O-N 3.37Å; S107-T109 VanDerWaalsContact O-N 3.14Å; S107-T109 WeakPolarHBondContact OG-CB 3.4Å; S107-T109 PolarHBondContact OG-N 2.93Å; S107-T109 PolarHBondContact OG-OG1 3.07Å
110	P	98	Very high	96.5	Very high	22 Å²	22	44.3 Å²	44.3	14%	0.143	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	143.1	178.7	29	-29.5	0	0	0	111.7	W34 L71 I79 V102 K103	W34-P110 HydrophobicContact CE3-CB 4.39Å; W34-P110 HydrophobicContact CH2-CB 3.42Å; W34-P110 VanDerWaalsContact CH2-CB 3.42Å; W34-P110 HydrophobicContact CZ2-CB 4.34Å; W34-P110 HydrophobicContact CZ3-CB 3.46Å; W34-P110 VanDerWaalsContact CZ3-CB 3.46Å; L71-P110 HydrophobicContact CB-CG 4.29Å; L71-P110 WeakPolarHBondContact CB-O 3.36Å; L71-P110 HydrophobicContact CD1-CB 4.41Å; L71-P110 HydrophobicContact CD1-CG 4.32Å; L71-P110 PolarHBondContact N-O 2.93Å; I79-P110 HydrophobicContact CD1-CG 3.71Å; V102-P110 WeakPolarHBondContact O-CA 3.46Å; K103-P110 HydrophobicContact CG-CB 4.23Å
111	A	98.4	Very high	96.1	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	153	171.1	0	0	0	0	0	111.2	V68 K69 I70 V102	V68-A111 HydrophobicContact CG1-CB 3.85Å; K69-A111 VanDerWaalsContact O-CA 3.27Å; K69-A111 WeakPolarHBondContact O-CA 3.49Å; I70-A111 HydrophobicContact CB-CB 4.49Å; I70-A111 HydrophobicContact CG1-CB 4.17Å; V102-A111 HydrophobicContact CG2-CB 3.82Å; V102-A111 PolarHBondContact N-O 3.45Å; V102-A111 PolarHBondContact O-N 3.02Å
112	L	98.6	Very high	95.7	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	130.3	176.1	-52.6	-178.9	0	0	0	108.5	K69 L71 E82 I83 L86 L98 T101 F114	K69-L112 HydrophobicContact CB-CB 4.44Å; K69-L112 PolarHBondContact N-O 2.99Å; K69-L112 PolarHBondContact O-N 2.92Å; L71-L112 HydrophobicContact CD1-CD1 4.43Å; L71-L112 HydrophobicContact CD1-CD2 4.47Å; L71-L112 HydrophobicContact CD1-CG 4.18Å; L71-L112 HydrophobicContact CD2-CD1 4.39Å; L71-L112 HydrophobicContact CD2-CG 4.48Å; L71-L112 HydrophobicContact CG-CG 4.48Å; E82-L112 HydrophobicContact CG-CD1 3.98Å; I83-L112 HydrophobicContact CD1-CD2 3.97Å; I83-L112 HydrophobicContact CG1-CD2 3.62Å; L86-L112 HydrophobicContact CD1-CD1 4.11Å; L98-L112 HydrophobicContact CD1-CB 3.97Å; L98-L112 HydrophobicContact CD1-CD2 4.46Å; T101-L112 HydrophobicContact CG2-CD2 3.82Å; L112-F114 HydrophobicContact CB-CD2 4.4Å; L112-F114 HydrophobicContact CB-CE2 3.49Å; L112-F114 VanDerWaalsContact CB-CE2 3.49Å; L112-F114 HydrophobicContact CB-CZ 3.63Å; L112-F114 HydrophobicContact CD1-CE2 4.45Å; L112-F114 HydrophobicContact CD1-CZ 3.97Å; L112-F114 HydrophobicContact CG-CZ 4.47Å
113	V	98.7	Very high	95.2	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	128.8	-179.5	-172.8	0	0	0	0	109	Y40 V66 V67 V68 V99 D100 V102	Y40-V113 HydrophobicContact CD1-CG1 4.1Å; Y40-V113 HydrophobicContact CD2-CG2 4.18Å; Y40-V113 HydrophobicContact CE1-CB 4.5Å; Y40-V113 HydrophobicContact CE1-CG1 3.61Å; Y40-V113 HydrophobicContact CE1-CG2 4.31Å; Y40-V113 HydrophobicContact CE2-CG2 3.93Å; Y40-V113 HydrophobicContact CG-CG2 4.47Å; V66-V113 HydrophobicContact CB-CG1 3.81Å; V66-V113 HydrophobicContact CG1-CG1 4.19Å; V66-V113 HydrophobicContact CG2-CG1 3.82Å; V67-V113 CarbonylContact O-C 3.57Å; V67-V113 WeakPolarHBondContact O-CA 3.37Å; V68-V113 HydrophobicContact CG2-CG2 4.37Å; V99-V113 HydrophobicContact CB-CG1 4.28Å; V99-V113 PolarHBondContact N-O 2.88Å; D100-V113 HydrophobicContact CB-CB 3.97Å; D100-V113 HydrophobicContact CB-CG2 4.12Å; D100-V113 PolarHBondContact N-O 2.91Å; D100-V113 PolarHBondContact O-N 3.02Å; V102-V113 HydrophobicContact CG1-CG2 4.05Å; V102-V113 HydrophobicContact CG2-CG2 3.98Å
114	F	98.6	Very high	94.8	Very high	19 Å²	19	56.3 Å²	56.3	8%	0.083	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	161.4	-176.5	-60	-82.5	0	0	0	112	V66 V67 K69 L86 I96 R97 L98 L112	V66-F114 WeakPolarHBondContact CA-O 3.21Å; V66-F114 WeakPolarHBondContact CB-O 3.28Å; V67-F114 HydrophobicContact CB-CB 4.42Å; V67-F114 PolarHBondContact N-O 3.48Å; V67-F114 PolarHBondContact O-N 2.85Å; K69-F114 HydrophobicContact CB-CD2 4.34Å; K69-F114 HydrophobicContact CB-CE2 3.78Å; K69-F114 HydrophobicContact CD-CE2 4.07Å; L86-F114 HydrophobicContact CD1-CE1 3.71Å; L86-F114 HydrophobicContact CD1-CZ 3.86Å; L86-F114 HydrophobicContact CD2-CE1 4.04Å; I96-F114 HydrophobicContact CD1-CB 4.24Å; I96-F114 HydrophobicContact CG1-CB 4Å; I96-F114 HydrophobicContact CG1-CD1 3.62Å; I96-F114 HydrophobicContact CG1-CE1 4.41Å; I96-F114 HydrophobicContact CG1-CG 4.07Å; I96-F114 HydrophobicContact CG2-CD1 4.25Å; I96-F114 HydrophobicContact CG2-CE1 4.27Å; R97-F114 WeakPolarHBondContact O-CA 3.35Å; L98-F114 HydrophobicContact CB-CD1 4.42Å; L98-F114 HydrophobicContact CB-CE1 4.27Å; L98-F114 HydrophobicContact CD1-CD1 4.26Å; L98-F114 HydrophobicContact CD1-CE1 3.85Å; L98-F114 HydrophobicContact CD1-CZ 4.16Å; L112-F114 HydrophobicContact CB-CD2 4.4Å; L112-F114 HydrophobicContact CB-CE2 3.49Å; L112-F114 VanDerWaalsContact CB-CE2 3.49Å; L112-F114 HydrophobicContact CB-CZ 3.63Å; L112-F114 HydrophobicContact CD1-CE2 4.45Å; L112-F114 HydrophobicContact CD1-CZ 3.97Å; L112-F114 HydrophobicContact CG-CZ 4.47Å
115	E	97.6	Very high	94.5	Very high	36 Å²	36	54.4 Å²	54.4	17%	0.168	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	144.7	165.9	66.3	-178.1	152.5	0	0	111.3	I96 R97 R173	I96-E115 HydrophobicContact CD1-CG 3.61Å; R97-E115 HydrophobicContact CB-CB 4.31Å; R97-E115 HydrophobicContact CB-CG 3.97Å; R97-E115 WeakPolarHBondContact CB-OE1 3.3Å; R97-E115 PolarHBondContact N-OE1 2.93Å; R97-E115 PolarHBondContact O-N 3.35Å; R97-E115 VanDerWaalsContact O-N 3.13Å; E115-R173 IonicContact OE1-NE 3.94Å; E115-R173 PolarHBondContact OE1-NE 3.37Å
116	S	96.8	Very high	94.3	Very high	45 Å²	45	53 Å²	53	32%	0.315	28%	0.276	S	S	.	.			trans	-80.1	135.1	173.9	178.2	0	0	0	0	110.8	K65	K65-S116 VanDerWaalsContact O-CB 3.27Å; K65-S116 WeakPolarHBondContact O-CB 3.19Å
117	I	94.7	Very high	93.9	Very high	39 Å²	39	54.3 Å²	54.3	20%	0.2	27%	0.273	C	S	.	.			trans	-121.3	133.5	175.3	-56	157.3	0	0	0	108.5	I96 N119 M164 R173 I175	I96-I117 HydrophobicContact CD1-CD1 3.42Å; I96-I117 VanDerWaalsContact CD1-CD1 3.42Å; I96-I117 HydrophobicContact CD1-CG1 4.24Å; I117-N119 VanDerWaalsContact C-N 3.3Å; I117-N119 PolarHBondContact O-N 3.5Å; I117-M164 HydrophobicContact CD1-CB 3.8Å; I117-M164 HydrophobicContact CD1-CG 4.2Å; I117-M164 HydrophobicContact CG2-CB 4.11Å; I117-R173 HydrophobicContact CD1-CB 3.48Å; I117-R173 VanDerWaalsContact CD1-CB 3.48Å; I117-R173 HydrophobicContact CD1-CG 3.56Å; I117-R173 HydrophobicContact CG1-CG 4.13Å; I117-I175 HydrophobicContact CD1-CG2 4.45Å
118	N	92.6	Very high	93.7	Very high	98 Å²	98	57.9 Å²	57.9	52%	0.524	28%	0.28	S	S	.	.			trans	-79.8	80.6	172.7	-173.7	30.7	0	0	0	110	D166	N118-D166 WeakPolarHBondContact O-CA 3.27Å; N118-D166 WeakPolarHBondContact O-CB 3.43Å
119	N	93	Very high	93.7	Very high	59 Å²	59	50.7 Å²	50.7	32%	0.316	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-76.9	132.3	-175.1	-177.2	66.5	0	0	0	112.6	I117 M164 I165	I117-N119 VanDerWaalsContact C-N 3.3Å; I117-N119 PolarHBondContact O-N 3.5Å; N119-M164 HydrophobicContact CB-SD 3.52Å; N119-M164 VanDerWaalsContact CB-SD 3.52Å; N119-M164 VanDerWaalsContact OD1-CA 3.29Å; N119-M164 WeakPolarHBondContact OD1-CA 3.43Å; N119-M164 PolarHBondContact OD1-SD 2.84Å; N119-M164 VanDerWaalsContact OD1-SD 3.36Å; N119-I165 WeakPolarHBondContact CA-O 3.49Å; N119-I165 PolarHBondContact OD1-N 3Å
120	T	90.7	Very high	93.8	Very high	42 Å²	42	51.9 Å²	51.9	26%	0.258	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-88.7	129.8	162.4	-51.2	0	0	0	0	108.9	F122 L125 I165	T120-F122 PolarHBondContact O-N 2.86Å; T120-L125 HydrophobicContact CG2-CB 4.05Å; T120-L125 HydrophobicContact CG2-CD1 4.33Å; T120-I165 PolarHBondContact N-O 3.43Å
121	D	89.8	Confident	93.8	Very high	73 Å²	73	52.8 Å²	52.8	39%	0.39	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-59.1	131.1	179.6	-174.7	-89.1	0	0	0	110.7	K123 E124 L125	D121-K123 PolarHBondContact O-N 3.05Å; D121-K123 VanDerWaalsContact OD1-CB 3.23Å; D121-K123 WeakPolarHBondContact OD1-CB 3.48Å; D121-K123 PolarHBondContact OD1-N 3.26Å; D121-E124 PolarHBondContact O-N 3.17Å; D121-E124 VanDerWaalsContact O-N 3.17Å; D121-L125 WeakPolarHBondContact O-CB 3.28Å; D121-L125 PolarHBondContact O-N 2.99Å
122	F	88.3	Confident	93.8	Very high	14 Å²	14	55.3 Å²	55.3	6%	0.061	27%	0.274	C	S	.	.	H	α-helix	trans	-64.7	-28.1	-172.2	73.5	-89.1	0	0	0	112.4	T120 E124 L125 Y126 P160 H161 E231	T120-F122 PolarHBondContact O-N 2.86Å; F122-E124 VanDerWaalsContact C-N 3.31Å; F122-E124 PolarHBondContact O-N 3.26Å; F122-L125 PolarHBondContact O-N 2.96Å; F122-Y126 HydrophobicContact CB-CD1 4.17Å; F122-Y126 HydrophobicContact CB-CE1 3.96Å; F122-Y126 HydrophobicContact CD2-CD2 4.47Å; F122-Y126 HydrophobicContact CD2-CE2 4.44Å; F122-Y126 VanDerWaalsContact O-CB 3.27Å; F122-Y126 WeakPolarHBondContact O-CB 3.33Å; F122-Y126 WeakPolarHBondContact O-CD1 3.24Å; F122-Y126 VanDerWaalsContact O-CG 3.29Å; F122-Y126 PolarHBondContact O-N 2.81Å; F122-P160 HydrophobicContact CB-CB 4.09Å; F122-P160 HydrophobicContact CD1-CB 4.02Å; F122-P160 HydrophobicContact CD2-CB 3.47Å; F122-P160 VanDerWaalsContact CD2-CB 3.47Å; F122-P160 HydrophobicContact CD2-CG 4.34Å; F122-P160 HydrophobicContact CE1-CB 4.42Å; F122-P160 HydrophobicContact CE2-CB 3.95Å; F122-P160 HydrophobicContact CG-CB 3.54Å; F122-P160 HydrophobicContact CZ-CB 4.39Å; F122-H161 AromaticContact CE1-CD2 3.66Å; F122-H161 AromaticContact CE1-CE1 3.33Å; F122-H161 WeakPolarHBondContact CE1-CE1 3.48Å; F122-H161 AromaticContact CE1-CG 3.63Å; F122-H161 AromaticContact CE1-ND1 3.41Å; F122-H161 WeakPolarHBondContact CE1-ND1 3.43Å; F122-H161 AromaticContact CE1-NE2 3.5Å; F122-H161 AromaticContact CZ-CE1 3.16Å; F122-H161 WeakPolarHBondContact CZ-CE1 3.46Å; F122-H161 AromaticContact CZ-ND1 3.55Å; F122-H161 AromaticContact CZ-NE2 3.66Å; F122-E231 WeakPolarHBondContact CE2-OE1 3.43Å
123	K	88.3	Confident	93.8	Very high	125 Å²	125	56 Å²	56	54%	0.543	28%	0.278	S	S	.	.	H	α-helix	trans	-67.3	-36.5	178.9	-62.6	-179	176.3	177.6	0	111.3	D121	D121-K123 PolarHBondContact O-N 3.05Å; D121-K123 VanDerWaalsContact OD1-CB 3.23Å; D121-K123 WeakPolarHBondContact OD1-CB 3.48Å; D121-K123 PolarHBondContact OD1-N 3.26Å
124	E	89.8	Confident	93.8	Very high	116 Å²	116	56.1 Å²	56.1	54%	0.542	28%	0.278	S	S	.	.	H	α-helix	trans	-77.4	-37.5	174.6	-63.4	-174.8	-174	0	0	111.7	D121 F122 K128	D121-E124 PolarHBondContact O-N 3.17Å; D121-E124 VanDerWaalsContact O-N 3.17Å; F122-E124 VanDerWaalsContact C-N 3.31Å; F122-E124 PolarHBondContact O-N 3.26Å; E124-K128 WeakPolarHBondContact O-CD 3.43Å
125	L	91.1	Very high	93.8	Very high	3 Å²	3	56.3 Å²	56.3	2%	0.016	28%	0.278	C	S	.	.	H	α-helix	trans	-70.9	-47.5	-176.3	-177.1	60.3	0	0	0	111.8	T120 D121 F122 Q127 K128 L129 I165 H167	T120-L125 HydrophobicContact CG2-CB 4.05Å; T120-L125 HydrophobicContact CG2-CD1 4.33Å; D121-L125 WeakPolarHBondContact O-CB 3.28Å; D121-L125 PolarHBondContact O-N 2.99Å; F122-L125 PolarHBondContact O-N 2.96Å; L125-Q127 PolarHBondContact O-N 3.09Å; L125-Q127 VanDerWaalsContact O-N 3.17Å; L125-K128 WeakPolarHBondContact O-CA 3.21Å; L125-K128 PolarHBondContact O-N 3.36Å; L125-L129 HydrophobicContact CD1-CD2 3.68Å; L125-L129 HydrophobicContact CD2-CD2 4.37Å; L125-L129 HydrophobicContact CG-CD2 3.73Å; L125-L129 HydrophobicContact CG-CG 4.21Å; L125-L129 WeakPolarHBondContact O-CG 3.44Å; L125-L129 PolarHBondContact O-N 2.98Å; L125-L129 VanDerWaalsContact O-N 3.17Å; L125-I165 HydrophobicContact CD2-CB 3.83Å; L125-I165 HydrophobicContact CD2-CD1 3.82Å; L125-I165 HydrophobicContact CD2-CG1 4.41Å; L125-I165 HydrophobicContact CD2-CG2 3.68Å; L125-H167 HydrophobicContact CD1-CB 3.9Å
126	Y	89.8	Confident	93.8	Very high	21 Å²	21	55.6 Å²	55.6	8%	0.082	28%	0.275	C	S	.	.	H	α-helix	trans	-60.5	-31.3	-172.9	-80.4	19.1	0	0	0	113	F122 K128 L129 P160 M222 M226	F122-Y126 HydrophobicContact CB-CD1 4.17Å; F122-Y126 HydrophobicContact CB-CE1 3.96Å; F122-Y126 HydrophobicContact CD2-CD2 4.47Å; F122-Y126 HydrophobicContact CD2-CE2 4.44Å; F122-Y126 VanDerWaalsContact O-CB 3.27Å; F122-Y126 WeakPolarHBondContact O-CB 3.33Å; F122-Y126 WeakPolarHBondContact O-CD1 3.24Å; F122-Y126 VanDerWaalsContact O-CG 3.29Å; F122-Y126 PolarHBondContact O-N 2.81Å; Y126-K128 PolarHBondContact O-N 3.18Å; Y126-L129 HydrophobicContact CD1-CD1 3.96Å; Y126-L129 HydrophobicContact CE1-CD1 4.4Å; Y126-P160 HydrophobicContact CE2-CB 4.14Å; Y126-P160 HydrophobicContact CE2-CG 3.93Å; Y126-M222 VanDerWaalsContact OH-CE 3.3Å; Y126-M222 WeakPolarHBondContact OH-CE 3.36Å; Y126-M226 HydrophobicContact CD1-CG 4.47Å; Y126-M226 HydrophobicContact CD1-SD 4.38Å; Y126-M226 HydrophobicContact CD2-CG 3.63Å; Y126-M226 HydrophobicContact CD2-SD 4.42Å; Y126-M226 HydrophobicContact CE1-CG 4.38Å; Y126-M226 HydrophobicContact CE1-SD 3.94Å; Y126-M226 HydrophobicContact CE2-CG 3.49Å; Y126-M226 VanDerWaalsContact CE2-CG 3.49Å; Y126-M226 HydrophobicContact CE2-SD 3.96Å; Y126-M226 HydrophobicContact CG-CG 4.11Å
127	Q	87.9	Confident	93.9	Very high	156 Å²	156	53.8 Å²	53.8	73%	0.729	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-16	176.4	-63.7	-177.6	0.7	0	0	113.4	L125	L125-Q127 PolarHBondContact O-N 3.09Å; L125-Q127 VanDerWaalsContact O-N 3.17Å
128	K	92.5	Very high	94.1	Very high	144 Å²	144	52.1 Å²	52.1	63%	0.626	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.6	-9.9	-175.7	-60.6	173.7	-173.9	169.9	0	113	E124 L125 Y126 T130	E124-K128 WeakPolarHBondContact O-CD 3.43Å; L125-K128 WeakPolarHBondContact O-CA 3.21Å; L125-K128 PolarHBondContact O-N 3.36Å; Y126-K128 PolarHBondContact O-N 3.18Å; K128-T130 PolarHBondContact O-N 3.38Å
129	L	96.1	Very high	94.4	Very high	6 Å²	6	48.6 Å²	48.6	3%	0.031	23%	0.232	C	C	.	.			trans	-66.9	131.3	-178.7	-65.5	-175.4	0	0	0	110.4	L125 Y126 D133 I134 Y137 M226	L125-L129 HydrophobicContact CD1-CD2 3.68Å; L125-L129 HydrophobicContact CD2-CD2 4.37Å; L125-L129 HydrophobicContact CG-CD2 3.73Å; L125-L129 HydrophobicContact CG-CG 4.21Å; L125-L129 WeakPolarHBondContact O-CG 3.44Å; L125-L129 PolarHBondContact O-N 2.98Å; L125-L129 VanDerWaalsContact O-N 3.17Å; Y126-L129 HydrophobicContact CD1-CD1 3.96Å; Y126-L129 HydrophobicContact CE1-CD1 4.4Å; L129-D133 HydrophobicContact CB-CB 4.15Å; L129-D133 HydrophobicContact CD2-CB 3.76Å; L129-D133 HydrophobicContact CG-CB 4.47Å; L129-I134 HydrophobicContact CB-CG1 3.91Å; L129-I134 HydrophobicContact CD1-CG1 4.13Å; L129-Y137 HydrophobicContact CD2-CD2 4.1Å; L129-Y137 HydrophobicContact CD2-CE2 3.95Å; L129-M226 HydrophobicContact CD1-SD 4.15Å
130	T	98.1	Very high	94.7	Very high	72 Å²	72	46.7 Å²	46.7	44%	0.442	22%	0.221	S	C	.	.			trans	-76.7	166.5	166.7	66.8	0	0	0	0	110.5	K128 Y132 D133 I134	K128-T130 PolarHBondContact O-N 3.38Å; T130-Y132 PolarHBondContact O-N 3.18Å; T130-D133 WeakPolarHBondContact CB-OD2 3.43Å; T130-D133 PolarHBondContact N-OD2 2.92Å; T130-D133 VanDerWaalsContact N-OD2 3.15Å; T130-D133 PolarHBondContact O-N 3.1Å; T130-D133 VanDerWaalsContact O-N 3.07Å; T130-D133 VanDerWaalsContact OG1-CG 3.22Å; T130-D133 PolarHBondContact OG1-N 3.48Å; T130-D133 VanDerWaalsContact OG1-N 3.16Å; T130-D133 PolarHBondContact OG1-OD2 2.86Å; T130-I134 WeakPolarHBondContact O-CG1 3.43Å; T130-I134 PolarHBondContact O-N 3.06Å
131	D	98.4	Very high	95.1	Very high	41 Å²	41	44.8 Å²	44.8	22%	0.219	21%	0.209	C	C	.	.	H	α-helix	trans	-53.4	-42.4	171.9	174.1	42.3	0	0	0	111.5	D133 I134 R135 L293 Y324	D131-D133 PolarHBondContact O-N 3.07Å; D131-I134 PolarHBondContact O-N 2.91Å; D131-R135 VanDerWaalsContact CG-NE 3.29Å; D131-R135 WeakPolarHBondContact O-CG 3.35Å; D131-R135 PolarHBondContact O-N 3.21Å; D131-R135 IonicContact OD1-CZ 3.57Å; D131-R135 IonicContact OD1-NE 3.24Å; D131-R135 PolarHBondContact OD1-NE 2.97Å; D131-R135 IonicContact OD1-NH2 2.66Å; D131-R135 PolarHBondContact OD1-NH2 2.79Å; D131-R135 IonicContact OD2-CZ 3.64Å; D131-R135 VanDerWaalsContact OD2-CZ 3.24Å; D131-R135 IonicContact OD2-NE 3.69Å; D131-R135 PolarHBondContact OD2-NE 3.35Å; D131-R135 IonicContact OD2-NH2 2.79Å; D131-R135 PolarHBondContact OD2-NH2 3.31Å; D131-L293 HydrophobicContact CB-CD2 4.32Å; D131-Y324 PolarHBondContact OD1-OH 3.48Å
132	Y	98.5	Very high	95.5	Very high	53 Å²	53	41.3 Å²	41.3	21%	0.208	19%	0.191	C	C	.	.	H	α-helix	trans	-64.6	-39.2	177.3	-176.3	-102.1	0	0	0	112.6	T130 R135 F136 P327 V328 E331	T130-Y132 PolarHBondContact O-N 3.18Å; Y132-R135 PolarHBondContact O-N 3.42Å; Y132-F136 VanDerWaalsContact O-CB 3.32Å; Y132-F136 WeakPolarHBondContact O-CB 3.31Å; Y132-F136 PolarHBondContact O-N 2.92Å; Y132-P327 HydrophobicContact CE2-CB 4.4Å; Y132-V328 HydrophobicContact CD2-CG2 4.5Å; Y132-V328 HydrophobicContact CE2-CG2 3.91Å; Y132-E331 PolarHBondContact OH-OE1 2.98Å; Y132-E331 PolarHBondContact OH-OE2 3.07Å
133	D	98.4	Very high	96	Very high	15 Å²	15	42.8 Å²	42.8	8%	0.08	20%	0.197	C	C	.	.	H	α-helix	trans	-66.2	-38.8	176.9	-61.8	-52.8	0	0	0	112.4	L129 T130 D131 F136 Y137 H167 R170	L129-D133 HydrophobicContact CB-CB 4.15Å; L129-D133 HydrophobicContact CD2-CB 3.76Å; L129-D133 HydrophobicContact CG-CB 4.47Å; T130-D133 WeakPolarHBondContact CB-OD2 3.43Å; T130-D133 PolarHBondContact N-OD2 2.92Å; T130-D133 VanDerWaalsContact N-OD2 3.15Å; T130-D133 PolarHBondContact O-N 3.1Å; T130-D133 VanDerWaalsContact O-N 3.07Å; T130-D133 VanDerWaalsContact OG1-CG 3.22Å; T130-D133 PolarHBondContact OG1-N 3.48Å; T130-D133 VanDerWaalsContact OG1-N 3.16Å; T130-D133 PolarHBondContact OG1-OD2 2.86Å; D131-D133 PolarHBondContact O-N 3.07Å; D133-F136 PolarHBondContact O-N 2.71Å; D133-Y137 HydrophobicContact CB-CD2 4.31Å; D133-Y137 HydrophobicContact CB-CE2 4.24Å; D133-Y137 WeakPolarHBondContact O-CD2 3.26Å; D133-Y137 PolarHBondContact O-N 2.95Å; D133-H167 IonicContact OD1-CE1 2.88Å; D133-R170 IonicContact OD1-CZ 3.83Å; D133-R170 IonicContact OD1-NH1 2.91Å; D133-R170 PolarHBondContact OD1-NH1 2.84Å; D133-R170 IonicContact OD1-NH2 2.71Å; D133-R170 PolarHBondContact OD1-NH2 3.41Å
134	I	98.6	Very high	96.5	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-60.3	-50.3	174.2	-63.7	171	0	0	0	109.5	L129 T130 D131 F136 Y137 M138 L223 M226 I227 L293	L129-I134 HydrophobicContact CB-CG1 3.91Å; L129-I134 HydrophobicContact CD1-CG1 4.13Å; T130-I134 WeakPolarHBondContact O-CG1 3.43Å; T130-I134 PolarHBondContact O-N 3.06Å; D131-I134 PolarHBondContact O-N 2.91Å; I134-F136 VanDerWaalsContact C-N 3.31Å; I134-F136 PolarHBondContact O-N 3.4Å; I134-Y137 PolarHBondContact O-N 3.01Å; I134-M138 HydrophobicContact CG2-CG 4.12Å; I134-M138 WeakPolarHBondContact O-CB 3.42Å; I134-M138 WeakPolarHBondContact O-CG 3.32Å; I134-M138 PolarHBondContact O-N 3.22Å; I134-L223 HydrophobicContact CG2-CD1 4Å; I134-M226 HydrophobicContact CD1-CB 3.99Å; I134-M226 HydrophobicContact CG1-CB 4.26Å; I134-M226 HydrophobicContact CG2-CB 4.25Å; I134-M226 HydrophobicContact CG2-CE 4.24Å; I134-M226 HydrophobicContact CG2-SD 4.36Å; I134-I227 HydrophobicContact CD1-CG2 4.4Å; I134-I227 HydrophobicContact CG2-CG2 4.21Å; I134-L293 HydrophobicContact CD1-CB 4.32Å; I134-L293 HydrophobicContact CD1-CD1 4.05Å; I134-L293 HydrophobicContact CD1-CD2 3.96Å; I134-L293 HydrophobicContact CD1-CG 4.33Å
135	R	98.8	Very high	97	Very high	23 Å²	23	31.3 Å²	31.3	9%	0.087	15%	0.146	C	C	.	.	H	α-helix	trans	-54.4	-48.8	175.6	-68	170.3	-166	-116	9.4	111.1	D131 Y132 Y139 S295 Y324 F325 V328	D131-R135 VanDerWaalsContact CG-NE 3.29Å; D131-R135 WeakPolarHBondContact O-CG 3.35Å; D131-R135 PolarHBondContact O-N 3.21Å; D131-R135 IonicContact OD1-CZ 3.57Å; D131-R135 IonicContact OD1-NE 3.24Å; D131-R135 PolarHBondContact OD1-NE 2.97Å; D131-R135 IonicContact OD1-NH2 2.66Å; D131-R135 PolarHBondContact OD1-NH2 2.79Å; D131-R135 IonicContact OD2-CZ 3.64Å; D131-R135 VanDerWaalsContact OD2-CZ 3.24Å; D131-R135 IonicContact OD2-NE 3.69Å; D131-R135 PolarHBondContact OD2-NE 3.35Å; D131-R135 IonicContact OD2-NH2 2.79Å; D131-R135 PolarHBondContact OD2-NH2 3.31Å; Y132-R135 PolarHBondContact O-N 3.42Å; R135-Y139 VanDerWaalsContact O-CB 3.31Å; R135-Y139 WeakPolarHBondContact O-CB 3.48Å; R135-Y139 PolarHBondContact O-N 3.09Å; R135-S295 PolarHBondContact NH2-OG 2.86Å; R135-Y324 HydrophobicContact CB-CE1 4.21Å; R135-Y324 WeakPolarHBondContact CD-O 3.2Å; R135-Y324 HydrophobicContact CG-CD1 4.02Å; R135-Y324 HydrophobicContact CG-CD2 4.16Å; R135-Y324 HydrophobicContact CG-CE1 3.49Å; R135-Y324 VanDerWaalsContact CG-CE1 3.49Å; R135-Y324 HydrophobicContact CG-CE2 3.58Å; R135-Y324 HydrophobicContact CG-CG 4.35Å; R135-Y324 WeakPolarHBondContact CG-OH 3.42Å; R135-Y324 PolarHBondContact NH1-O 2.96Å; R135-F325 HydrophobicContact CB-CD1 4.47Å; R135-F325 WeakPolarHBondContact O-CD1 3.44Å; R135-F325 VanDerWaalsContact O-CE1 3.26Å; R135-F325 WeakPolarHBondContact O-CE1 3.47Å; R135-V328 HydrophobicContact CB-CG2 3.64Å
136	F	98.6	Very high	97.4	Very high	21 Å²	21	32.8 Å²	32.8	9%	0.092	15%	0.153	C	C	.	.	H	α-helix	trans	-61.5	-53.6	-177.8	178.3	-90.1	0	0	0	111.9	Y132 D133 I134 M138 Y139 E140 R170 V328	Y132-F136 VanDerWaalsContact O-CB 3.32Å; Y132-F136 WeakPolarHBondContact O-CB 3.31Å; Y132-F136 PolarHBondContact O-N 2.92Å; D133-F136 PolarHBondContact O-N 2.71Å; I134-F136 VanDerWaalsContact C-N 3.31Å; I134-F136 PolarHBondContact O-N 3.4Å; F136-M138 VanDerWaalsContact C-N 3.35Å; F136-M138 PolarHBondContact O-N 3.19Å; F136-Y139 WeakPolarHBondContact O-CB 3.41Å; F136-Y139 PolarHBondContact O-N 2.99Å; F136-E140 HydrophobicContact CD1-CG 4.19Å; F136-E140 HydrophobicContact CE1-CG 3.76Å; F136-E140 HydrophobicContact CE2-CG 4.42Å; F136-E140 HydrophobicContact CZ-CG 3.89Å; F136-E140 WeakPolarHBondContact O-CG 3.45Å; F136-E140 PolarHBondContact O-N 2.86Å; F136-R170 VanDerWaalsContact CB-NH2 3.29Å; F136-R170 VanDerWaalsContact CD1-NH2 3.34Å; F136-R170 HydrophobicContact CE1-CB 3.8Å; F136-R170 WeakPolarHBondContact CE1-O 3.44Å; F136-R170 HydrophobicContact CZ-CB 3.87Å; F136-V328 HydrophobicContact CB-CG2 4.4Å; F136-V328 HydrophobicContact CD2-CG1 4.15Å
137	Y	98.7	Very high	97.8	Very high	8 Å²	8	34.6 Å²	34.6	3%	0.031	16%	0.161	C	C	.	.	H	α-helix	trans	-69.7	-32.2	-177.3	-70.8	-56.2	0	0	0	113.1	L129 D133 I134 Y139 E140 L141 I165 H167 L172	L129-Y137 HydrophobicContact CD2-CD2 4.1Å; L129-Y137 HydrophobicContact CD2-CE2 3.95Å; D133-Y137 HydrophobicContact CB-CD2 4.31Å; D133-Y137 HydrophobicContact CB-CE2 4.24Å; D133-Y137 WeakPolarHBondContact O-CD2 3.26Å; D133-Y137 PolarHBondContact O-N 2.95Å; I134-Y137 PolarHBondContact O-N 3.01Å; Y137-Y139 VanDerWaalsContact C-N 3.35Å; Y137-E140 PolarHBondContact O-N 3.31Å; Y137-L141 WeakPolarHBondContact O-CB 3.15Å; Y137-L141 PolarHBondContact O-N 2.91Å; Y137-I165 HydrophobicContact CD1-CD1 4.05Å; Y137-I165 HydrophobicContact CD1-CG1 4.3Å; Y137-I165 HydrophobicContact CD1-CG2 4.12Å; Y137-I165 HydrophobicContact CD2-CD1 4.29Å; Y137-I165 HydrophobicContact CE1-CD1 4.46Å; Y137-I165 HydrophobicContact CE1-CG1 4.44Å; Y137-I165 HydrophobicContact CE1-CG2 3.46Å; Y137-I165 VanDerWaalsContact CE1-CG2 3.46Å; Y137-I165 HydrophobicContact CE2-CG2 4.11Å; Y137-I165 HydrophobicContact CG-CD1 3.98Å; Y137-I165 VanDerWaalsContact CZ-CG2 3.46Å; Y137-H167 AromaticContact CE2-ND1 3.62Å; Y137-H167 AromaticContact CZ-ND1 3.65Å; Y137-H167 WeakPolarHBondContact OH-CA 3.5Å; Y137-H167 PolarHBondContact OH-ND1 3.09Å; Y137-L172 HydrophobicContact CD1-CB 4.42Å; Y137-L172 HydrophobicContact CD1-CD1 4.01Å; Y137-L172 WeakPolarHBondContact O-CD1 3.35Å
138	M	98.9	Very high	98.3	Very high	3 Å²	3	27.2 Å²	27.2	2%	0.015	13%	0.126	C	C	.	.	H	α-helix	trans	-65.1	-40.6	171.9	-70.9	-63.9	-63.2	0	0	111.4	I134 F136 L141 L142 L219 L223 M226 F325	I134-M138 HydrophobicContact CG2-CG 4.12Å; I134-M138 WeakPolarHBondContact O-CB 3.42Å; I134-M138 WeakPolarHBondContact O-CG 3.32Å; I134-M138 PolarHBondContact O-N 3.22Å; F136-M138 VanDerWaalsContact C-N 3.35Å; F136-M138 PolarHBondContact O-N 3.19Å; M138-L141 PolarHBondContact O-N 3.06Å; M138-L142 VanDerWaalsContact O-CG 3.28Å; M138-L142 WeakPolarHBondContact O-CG 3.36Å; M138-L142 PolarHBondContact O-N 3.36Å; M138-L219 HydrophobicContact CE-CD1 4.1Å; M138-L219 HydrophobicContact CE-CD2 3.26Å; M138-L219 HydrophobicContact CE-CG 3.41Å; M138-L219 VanDerWaalsContact CE-CG 3.41Å; M138-L223 HydrophobicContact CE-CB 3.75Å; M138-L223 HydrophobicContact CE-CD1 4.26Å; M138-L223 HydrophobicContact CE-CG 4.43Å; M138-L223 HydrophobicContact CG-CD1 4.18Å; M138-M226 HydrophobicContact CG-CE 3.75Å; M138-M226 HydrophobicContact SD-CE 3.2Å; M138-M226 WeakPolarHBondContact SD-CE 3.44Å; M138-F325 HydrophobicContact CB-CE1 3.82Å; M138-F325 HydrophobicContact CB-CZ 4.05Å
139	Y	98.9	Very high	98.6	Very high	25 Å²	25	20.5 Å²	20.5	10%	0.098	10%	0.097	C	C	.	.	H	α-helix	trans	-64.6	-44.2	174.5	-166.3	-106.3	0	0	0	112.1	R135 F136 Y137 L141 L142 K143 M320 F325 V328 V329	R135-Y139 VanDerWaalsContact O-CB 3.31Å; R135-Y139 WeakPolarHBondContact O-CB 3.48Å; R135-Y139 PolarHBondContact O-N 3.09Å; F136-Y139 WeakPolarHBondContact O-CB 3.41Å; F136-Y139 PolarHBondContact O-N 2.99Å; Y137-Y139 VanDerWaalsContact C-N 3.35Å; Y139-L141 VanDerWaalsContact C-N 3.32Å; Y139-L141 PolarHBondContact O-N 3.36Å; Y139-L142 WeakPolarHBondContact O-CB 3.39Å; Y139-L142 PolarHBondContact O-N 3.1Å; Y139-K143 HydrophobicContact CE1-CD 4.47Å; Y139-K143 PolarHBondContact O-N 3.46Å; Y139-M320 HydrophobicContact CD2-CB 4.31Å; Y139-M320 HydrophobicContact CD2-CG 4.03Å; Y139-M320 HydrophobicContact CE2-CB 3.68Å; Y139-M320 HydrophobicContact CE2-CE 4.19Å; Y139-M320 HydrophobicContact CE2-CG 3.73Å; Y139-F325 HydrophobicContact CD2-CB 3.72Å; Y139-F325 AromaticContact CD2-CD1 3.82Å; Y139-F325 HydrophobicContact CD2-CD1 3.82Å; Y139-F325 HydrophobicContact CD2-CD2 4.22Å; Y139-F325 HydrophobicContact CD2-CE1 4.48Å; Y139-F325 AromaticContact CD2-CG 3.65Å; Y139-F325 HydrophobicContact CD2-CG 3.65Å; Y139-F325 HydrophobicContact CE2-CB 4.1Å; Y139-F325 HydrophobicContact CE2-CG 4.4Å; Y139-F325 HydrophobicContact CG-CD1 4.22Å; Y139-F325 HydrophobicContact CG-CG 4.48Å; Y139-V328 HydrophobicContact CD1-CG1 3.81Å; Y139-V328 HydrophobicContact CE1-CG1 4.48Å; Y139-V328 HydrophobicContact CG-CG1 4.07Å; Y139-V329 HydrophobicContact CE1-CG2 4.44Å; Y139-V329 HydrophobicContact CE2-CG2 3.9Å
140	E	98.8	Very high	98.8	Very high	18 Å²	18	22 Å²	22	8%	0.084	11%	0.108	C	C	.	.	H	α-helix	trans	-64.4	-34.4	176.4	-69.2	-53.9	117.6	0	0	112.8	N94 F136 Y137 K143 A144 L172 Q332	N94-E140 PolarHBondContact ND2-O 3.3Å; N94-E140 PolarHBondContact ND2-OE2 3.21Å; F136-E140 HydrophobicContact CD1-CG 4.19Å; F136-E140 HydrophobicContact CE1-CG 3.76Å; F136-E140 HydrophobicContact CE2-CG 4.42Å; F136-E140 HydrophobicContact CZ-CG 3.89Å; F136-E140 WeakPolarHBondContact O-CG 3.45Å; F136-E140 PolarHBondContact O-N 2.86Å; Y137-E140 PolarHBondContact O-N 3.31Å; E140-K143 WeakPolarHBondContact OE1-CE 3.16Å; E140-K143 IonicContact OE1-NZ 3.33Å; E140-K143 PolarHBondContact OE1-NZ 3.2Å; E140-K143 IonicContact OE2-NZ 3.53Å; E140-A144 PolarHBondContact O-N 3.25Å; E140-L172 HydrophobicContact CB-CB 4.12Å; E140-L172 HydrophobicContact CB-CD1 4.21Å; E140-Q332 PolarHBondContact OE1-NE2 2.75Å
141	L	98.9	Very high	98.8	Very high	2 Å²	2	20.2 Å²	20.2	1%	0.01	10%	0.095	C	C	.	.	H	α-helix	trans	-69.6	-40.3	172.4	-179.4	59.9	0	0	0	111.7	Y137 M138 Y139 K143 A144 L145 V158 V163 L172 L174 L219 M222	Y137-L141 WeakPolarHBondContact O-CB 3.15Å; Y137-L141 PolarHBondContact O-N 2.91Å; M138-L141 PolarHBondContact O-N 3.06Å; Y139-L141 VanDerWaalsContact C-N 3.32Å; Y139-L141 PolarHBondContact O-N 3.36Å; L141-K143 VanDerWaalsContact C-N 3.29Å; L141-K143 PolarHBondContact O-N 3.47Å; L141-A144 WeakPolarHBondContact O-CB 3.37Å; L141-A144 PolarHBondContact O-N 2.87Å; L141-A144 VanDerWaalsContact O-N 3.1Å; L141-L145 HydrophobicContact CG-CD1 4.45Å; L141-L145 WeakPolarHBondContact O-CG 3.31Å; L141-L145 PolarHBondContact O-N 2.86Å; L141-V158 HydrophobicContact CD2-CG1 4.28Å; L141-V163 HydrophobicContact CD1-CG2 3.92Å; L141-V163 HydrophobicContact CD2-CG2 4.15Å; L141-L172 HydrophobicContact CB-CD1 4.27Å; L141-L172 HydrophobicContact CB-CD2 4.46Å; L141-L172 HydrophobicContact CD1-CD2 4.44Å; L141-L174 HydrophobicContact CD1-CD1 4.17Å; L141-L174 HydrophobicContact CD1-CD2 4.44Å; L141-L219 HydrophobicContact CD2-CD1 4.09Å; L141-L219 HydrophobicContact CG-CD1 4.21Å; L141-M222 HydrophobicContact CD2-CE 4.11Å; L141-M222 HydrophobicContact CD2-SD 4.26Å
142	L	98.9	Very high	98.8	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.005	8%	0.084	C	C	.	.	H	α-helix	trans	-60.1	-38.4	175.4	-75.5	166.2	0	0	0	112	M138 Y139 A144 L145 D146 M216 L219 A316 A319 M320 F325	M138-L142 VanDerWaalsContact O-CG 3.28Å; M138-L142 WeakPolarHBondContact O-CG 3.36Å; M138-L142 PolarHBondContact O-N 3.36Å; Y139-L142 WeakPolarHBondContact O-CB 3.39Å; Y139-L142 PolarHBondContact O-N 3.1Å; L142-A144 VanDerWaalsContact C-N 3.3Å; L142-A144 PolarHBondContact O-N 3.02Å; L142-L145 PolarHBondContact O-N 3.33Å; L142-D146 WeakPolarHBondContact O-CB 3.45Å; L142-D146 PolarHBondContact O-N 3.27Å; L142-M216 HydrophobicContact CD2-CE 3.68Å; L142-M216 HydrophobicContact CD2-SD 4.48Å; L142-L219 HydrophobicContact CD2-CD1 3.57Å; L142-L219 HydrophobicContact CD2-CD2 4.37Å; L142-L219 HydrophobicContact CG-CD1 3.89Å; L142-A316 HydrophobicContact CD2-CB 4.27Å; L142-A319 HydrophobicContact CD1-CB 3.94Å; L142-A319 HydrophobicContact CD2-CB 3.75Å; L142-M320 HydrophobicContact CB-CG 3.53Å; L142-M320 HydrophobicContact CB-SD 4.02Å; L142-M320 HydrophobicContact CD1-CG 3.98Å; L142-M320 HydrophobicContact CG-CG 4.32Å; L142-F325 HydrophobicContact CD1-CD2 4.37Å; L142-F325 HydrophobicContact CD1-CE1 4.4Å; L142-F325 HydrophobicContact CD1-CE2 3.5Å; L142-F325 HydrophobicContact CD1-CZ 3.51Å
143	K	98.9	Very high	98.8	Very high	45 Å²	45	15.7 Å²	15.7	20%	0.196	7%	0.074	C	C	.	.	H	α-helix	trans	-58	-41.2	173	-68.6	176.2	-177.3	171.9	0	112.4	T93 Y139 E140 L141 Y147 M320	T93-K143 HydrophobicContact CG2-CB 3.89Å; T93-K143 HydrophobicContact CG2-CD 4.06Å; Y139-K143 HydrophobicContact CE1-CD 4.47Å; Y139-K143 PolarHBondContact O-N 3.46Å; E140-K143 WeakPolarHBondContact OE1-CE 3.16Å; E140-K143 IonicContact OE1-NZ 3.33Å; E140-K143 PolarHBondContact OE1-NZ 3.2Å; E140-K143 IonicContact OE2-NZ 3.53Å; L141-K143 VanDerWaalsContact C-N 3.29Å; L141-K143 PolarHBondContact O-N 3.47Å; K143-Y147 VanDerWaalsContact O-CB 3.27Å; K143-Y147 WeakPolarHBondContact O-CB 3.48Å; K143-Y147 PolarHBondContact O-N 3.31Å; K143-Y147 VanDerWaalsContact O-N 3.09Å; K143-M320 HydrophobicContact CG-CE 4.26Å; K143-M320 HydrophobicContact CG-SD 4.15Å
144	A	98.9	Very high	98.9	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-66.9	-40.7	176.6	0	0	0	0	0	111.9	T93 N94 I95 E140 L141 L142 C148 L174	T93-A144 WeakPolarHBondContact O-CA 3.29Å; N94-A144 HydrophobicContact CB-CB 4.06Å; I95-A144 HydrophobicContact CD1-CB 3.99Å; E140-A144 PolarHBondContact O-N 3.25Å; L141-A144 WeakPolarHBondContact O-CB 3.37Å; L141-A144 PolarHBondContact O-N 2.87Å; L141-A144 VanDerWaalsContact O-N 3.1Å; L142-A144 VanDerWaalsContact C-N 3.3Å; L142-A144 PolarHBondContact O-N 3.02Å; A144-C148 PolarHBondContact O-N 2.99Å; A144-L174 HydrophobicContact CB-CB 4.11Å; A144-L174 HydrophobicContact CB-CD2 4.23Å
145	L	98.9	Very high	98.9	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-69.2	-47.4	179.3	-66.4	-179.7	0	0	0	112.1	L141 L142 Y147 C148 H149 V158 L174 D215 M216 L219 A316	L141-L145 HydrophobicContact CG-CD1 4.45Å; L141-L145 WeakPolarHBondContact O-CG 3.31Å; L141-L145 PolarHBondContact O-N 2.86Å; L142-L145 PolarHBondContact O-N 3.33Å; L145-Y147 VanDerWaalsContact C-N 3.27Å; L145-Y147 PolarHBondContact O-N 2.88Å; L145-C148 PolarHBondContact O-N 2.94Å; L145-C148 PolarHBondContact O-SG 3.2Å; L145-H149 VanDerWaalsContact O-CB 3.24Å; L145-H149 WeakPolarHBondContact O-CB 3.38Å; L145-H149 PolarHBondContact O-CD2 3.21Å; L145-H149 VanDerWaalsContact O-CD2 3.27Å; L145-H149 PolarHBondContact O-N 2.93Å; L145-H149 PolarHBondContact O-ND1 3.3Å; L145-V158 HydrophobicContact CD2-CG2 3.83Å; L145-L174 HydrophobicContact CD2-CD2 3.92Å; L145-D215 HydrophobicContact CD1-CB 4.46Å; L145-D215 HydrophobicContact CD2-CB 4.14Å; L145-M216 HydrophobicContact CD1-SD 4.29Å; L145-L219 HydrophobicContact CD1-CB 4.39Å; L145-L219 HydrophobicContact CD1-CD1 3.51Å; L145-A316 HydrophobicContact CB-CB 4.19Å
146	D	98.9	Very high	98.9	Very high	34 Å²	34	14.2 Å²	14.2	18%	0.182	7%	0.067	C	C	.	.	H	α-helix	trans	-59.3	-41.5	175.7	-175.8	53.6	0	0	0	111.3	Y13 L142 H149 S150 A316 T317	Y13-D146 PolarHBondContact OH-OD1 2.77Å; L142-D146 WeakPolarHBondContact O-CB 3.45Å; L142-D146 PolarHBondContact O-N 3.27Å; D146-H149 PolarHBondContact O-N 3.3Å; D146-S150 VanDerWaalsContact O-CB 3.24Å; D146-S150 WeakPolarHBondContact O-CB 3.46Å; D146-S150 PolarHBondContact O-N 3.01Å; D146-S150 PolarHBondContact O-OG 2.76Å; D146-A316 HydrophobicContact CB-CB 3.65Å; D146-T317 PolarHBondContact OD1-OG1 3.02Å
147	Y	98.9	Very high	98.9	Very high	59 Å²	59	13.5 Å²	13.5	23%	0.231	7%	0.065	C	C	.	.	H	α-helix	trans	-60.8	-49.6	175.1	-176.1	-94.6	0	0	0	112.1	L89 I95 K143 L145 S150 M151	L89-Y147 HydrophobicContact CB-CE1 4.34Å; L89-Y147 HydrophobicContact CD2-CD1 4.06Å; L89-Y147 HydrophobicContact CD2-CE1 3.84Å; I95-Y147 HydrophobicContact CD1-CD1 4.33Å; I95-Y147 HydrophobicContact CG1-CD1 3.9Å; I95-Y147 HydrophobicContact CG1-CE1 4.36Å; K143-Y147 VanDerWaalsContact O-CB 3.27Å; K143-Y147 WeakPolarHBondContact O-CB 3.48Å; K143-Y147 PolarHBondContact O-N 3.31Å; K143-Y147 VanDerWaalsContact O-N 3.09Å; L145-Y147 VanDerWaalsContact C-N 3.27Å; L145-Y147 PolarHBondContact O-N 2.88Å; Y147-S150 PolarHBondContact O-OG 2.75Å; Y147-M151 HydrophobicContact CD1-CG 4.44Å; Y147-M151 HydrophobicContact CE1-CG 4.06Å; Y147-M151 WeakPolarHBondContact O-CB 3.39Å; Y147-M151 WeakPolarHBondContact O-CG 3.47Å; Y147-M151 PolarHBondContact O-N 3.34Å; Y147-M151 VanDerWaalsContact O-N 3.12Å
148	C	98.9	Very high	98.9	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-70.5	-35.3	-179.2	74.1	0	0	0	0	112.8	L89 A144 L145 M151 G152 I153 W177	L89-C148 HydrophobicContact CD1-CB 3.96Å; L89-C148 HydrophobicContact CD2-CB 3.89Å; A144-C148 PolarHBondContact O-N 2.99Å; L145-C148 PolarHBondContact O-N 2.94Å; L145-C148 PolarHBondContact O-SG 3.2Å; C148-M151 CarbonylContact O-C 3.59Å; C148-M151 WeakPolarHBondContact O-CA 3.37Å; C148-M151 PolarHBondContact O-N 2.87Å; C148-G152 PolarHBondContact O-N 2.78Å; C148-I153 CarbonylContact C-O 3.53Å; C148-I153 VanDerWaalsContact C-O 3.28Å; C148-I153 PolarHBondContact O-N 3.07Å; C148-I153 VanDerWaalsContact O-O 3.1Å; C148-W177 HydrophobicContact CB-CH2 3.56Å; C148-W177 HydrophobicContact CB-CZ3 3.74Å
149	H	98.9	Very high	98.8	Very high	4 Å²	4	14.2 Å²	14.2	2%	0.019	7%	0.068	C	C	.	.	H	α-helix	trans	-64.4	-45	175.7	-64.7	177.1	0	0	0	111.1	Y13 L145 D146 M151 G152 I153 Y212 D215	Y13-H149 WeakPolarHBondContact CB-O 3.36Å; Y13-H149 HydrophobicContact CD2-CB 3.88Å; Y13-H149 HydrophobicContact CE2-CB 4.13Å; L145-H149 VanDerWaalsContact O-CB 3.24Å; L145-H149 WeakPolarHBondContact O-CB 3.38Å; L145-H149 PolarHBondContact O-CD2 3.21Å; L145-H149 VanDerWaalsContact O-CD2 3.27Å; L145-H149 PolarHBondContact O-N 2.93Å; L145-H149 PolarHBondContact O-ND1 3.3Å; D146-H149 PolarHBondContact O-N 3.3Å; H149-M151 PolarHBondContact O-N 3.09Å; H149-G152 WeakPolarHBondContact O-CA 3.41Å; H149-G152 PolarHBondContact O-N 3.33Å; H149-I153 PolarHBondContact CD2-O 3.09Å; H149-Y212 HydrophobicContact CB-CD1 4.04Å; H149-Y212 HydrophobicContact CB-CG 4.16Å; H149-Y212 AromaticContact CD2-CD1 3.83Å; H149-Y212 PolarHBondContact CE1-O 3.15Å; H149-Y212 AromaticContact CG-CD1 3.97Å; H149-D215 IonicContact CD2-OD2 3.49Å; H149-D215 IonicContact CE1-OD2 3.74Å; H149-D215 IonicContact NE2-OD2 2.63Å; H149-D215 PolarHBondContact NE2-OD2 2.85Å
150	S	98.8	Very high	98.7	Very high	37 Å²	37	13.1 Å²	13.1	26%	0.259	6%	0.064	S	C	.	.	H	α-helix	trans	-65.1	-22.2	174.8	68.6	0	0	0	0	113.4	V16 D146 Y147 G152	V16-S150 WeakPolarHBondContact CG1-O 3.49Å; D146-S150 VanDerWaalsContact O-CB 3.24Å; D146-S150 WeakPolarHBondContact O-CB 3.46Å; D146-S150 PolarHBondContact O-N 3.01Å; D146-S150 PolarHBondContact O-OG 2.76Å; Y147-S150 PolarHBondContact O-OG 2.75Å; S150-G152 VanDerWaalsContact C-N 3.28Å
151	M	98.8	Very high	98.6	Very high	34 Å²	34	17.2 Å²	17.2	17%	0.167	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	7.1	171.5	-68.2	-65.5	-83.7	0	0	113.3	Y24 N88 L89 Y147 C148 H149 I153	Y24-M151 WeakPolarHBondContact CE1-O 3.38Å; Y24-M151 HydrophobicContact CE2-CE 4.33Å; Y24-M151 WeakPolarHBondContact OH-CE 3.05Å; Y24-M151 PolarHBondContact OH-O 2.69Å; N88-M151 WeakPolarHBondContact O-CE 3.49Å; L89-M151 HydrophobicContact CD2-CB 3.66Å; L89-M151 HydrophobicContact CD2-CG 4.01Å; Y147-M151 HydrophobicContact CD1-CG 4.44Å; Y147-M151 HydrophobicContact CE1-CG 4.06Å; Y147-M151 WeakPolarHBondContact O-CB 3.39Å; Y147-M151 WeakPolarHBondContact O-CG 3.47Å; Y147-M151 PolarHBondContact O-N 3.34Å; Y147-M151 VanDerWaalsContact O-N 3.12Å; C148-M151 CarbonylContact O-C 3.59Å; C148-M151 WeakPolarHBondContact O-CA 3.37Å; C148-M151 PolarHBondContact O-N 2.87Å; H149-M151 PolarHBondContact O-N 3.09Å; M151-I153 HydrophobicContact CB-CD1 4.48Å
152	G	98.8	Very high	98.5	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.7	23.5	176.4	0	0	0	0	0	114	N17 C148 H149 S150 F182 Y183 Y212	N17-G152 PolarHBondContact ND2-O 2.97Å; C148-G152 PolarHBondContact O-N 2.78Å; H149-G152 WeakPolarHBondContact O-CA 3.41Å; H149-G152 PolarHBondContact O-N 3.33Å; S150-G152 VanDerWaalsContact C-N 3.28Å; G152-F182 CarbonylContact O-C 3.56Å; G152-F182 WeakPolarHBondContact O-CA 3.31Å; G152-Y183 PolarHBondContact O-N 2.95Å; G152-Y212 WeakPolarHBondContact CA-OH 3.48Å
153	I	98.9	Very high	98.5	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	130.3	-172.3	-66.5	158.7	0	0	0	110.4	I85 N88 L89 C148 H149 M151 W177 A180 E181 F182	I85-I153 HydrophobicContact CD1-CG2 4.19Å; I85-I153 HydrophobicContact CG1-CD1 4.25Å; I85-I153 HydrophobicContact CG1-CG1 4.42Å; I85-I153 HydrophobicContact CG1-CG2 4.39Å; I85-I153 HydrophobicContact CG2-CD1 4.23Å; I85-I153 HydrophobicContact CG2-CG2 3.95Å; N88-I153 HydrophobicContact CB-CD1 4.39Å; L89-I153 HydrophobicContact CD1-CD1 4.14Å; L89-I153 HydrophobicContact CD1-CG2 4.33Å; L89-I153 HydrophobicContact CD2-CD1 3.79Å; L89-I153 HydrophobicContact CG-CD1 3.8Å; C148-I153 CarbonylContact C-O 3.53Å; C148-I153 VanDerWaalsContact C-O 3.28Å; C148-I153 PolarHBondContact O-N 3.07Å; C148-I153 VanDerWaalsContact O-O 3.1Å; H149-I153 PolarHBondContact CD2-O 3.09Å; M151-I153 HydrophobicContact CB-CD1 4.48Å; I153-W177 HydrophobicContact CG2-CE3 4.34Å; I153-W177 HydrophobicContact CG2-CZ3 4.11Å; I153-A180 HydrophobicContact CG2-CB 4.19Å; I153-E181 CarbonylContact C-O 3.55Å; I153-E181 WeakPolarHBondContact CA-O 3.08Å; I153-F182 HydrophobicContact CD1-CD1 4.37Å; I153-F182 HydrophobicContact CD1-CE1 3.83Å; I153-F182 HydrophobicContact CD1-CZ 4.36Å; I153-F182 HydrophobicContact CG1-CD1 3.78Å; I153-F182 HydrophobicContact CG1-CE1 3.76Å; I153-F182 HydrophobicContact CG1-CZ 4.47Å
154	M	98.9	Very high	98.4	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	136.3	169.5	-57.4	175.8	-77.2	0	0	109.6	R156 A180 E181 Y183 Y189 Y210 D211 Y212	M154-R156 HydrophobicContact CB-CG 3.73Å; M154-A180 CarbonylContact O-C 3.59Å; M154-A180 WeakPolarHBondContact O-CA 3.43Å; M154-A180 VanDerWaalsContact O-CB 3.23Å; M154-A180 WeakPolarHBondContact O-CB 3.19Å; M154-E181 HydrophobicContact CE-CB 4.31Å; M154-E181 PolarHBondContact N-O 2.93Å; M154-E181 PolarHBondContact O-N 3.35Å; M154-Y183 HydrophobicContact CE-CD2 4.14Å; M154-Y183 HydrophobicContact SD-CD2 4.18Å; M154-Y189 HydrophobicContact CE-CD1 4.06Å; M154-Y189 HydrophobicContact CE-CD2 4.23Å; M154-Y189 HydrophobicContact CE-CE1 3.73Å; M154-Y189 HydrophobicContact CE-CE2 3.94Å; M154-Y189 HydrophobicContact CE-CG 4.31Å; M154-Y210 HydrophobicContact CE-CE2 4.45Å; M154-Y210 HydrophobicContact SD-CD2 4.21Å; M154-Y210 HydrophobicContact SD-CE2 4.27Å; M154-D211 VanDerWaalsContact SD-CA 3.52Å; M154-Y212 HydrophobicContact CG-CD1 3.51Å; M154-Y212 HydrophobicContact CG-CE1 4.01Å; M154-Y212 HydrophobicContact CG-CG 4.31Å
155	H	98.9	Very high	98.3	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.089	C	C	.	.			trans	-75.7	-44.2	179.2	-175.1	-92.1	0	0	0	112.2	D157 V158 I175 W177 L179 A180 D215	H155-D157 PolarHBondContact CE1-O 3.28Å; H155-D157 VanDerWaalsContact ND1-C 3.29Å; H155-D157 PolarHBondContact ND1-N 2.7Å; H155-D157 PolarHBondContact O-N 2.86Å; H155-D157 VanDerWaalsContact O-N 3.17Å; H155-V158 HydrophobicContact CB-CG2 3.91Å; H155-V158 PolarHBondContact ND1-N 3.06Å; H155-I175 PolarHBondContact NE2-O 2.93Å; H155-W177 HydrophobicContact CB-CZ3 4.21Å; H155-W177 AromaticContact CD2-CD2 3.79Å; H155-W177 AromaticContact CD2-CE2 3.9Å; H155-W177 AromaticContact CD2-CE3 3.66Å; H155-W177 AromaticContact CD2-CH2 3.79Å; H155-W177 AromaticContact CD2-CZ2 3.9Å; H155-W177 AromaticContact CD2-CZ3 3.67Å; H155-L179 CarbonylContact O-C 3.57Å; H155-A180 WeakPolarHBondContact O-CA 3.2Å; H155-A180 PolarHBondContact O-N 3.36Å; H155-D215 PolarHBondContact N-OD2 3.44Å
156	R	98.8	Very high	98.2	Very high	7 Å²	7	18.8 Å²	18.8	3%	0.026	9%	0.092	C	C	.	.	S	Bend	trans	62.6	10.6	175.3	-49.3	-164.4	-59.6	-174.2	-12.2	117.1	M154 L179 E181 V193 A194 Y210 L214 D215	M154-R156 HydrophobicContact CB-CG 3.73Å; R156-L179 PolarHBondContact NE-O 3.5Å; R156-L179 PolarHBondContact NH2-O 2.9Å; R156-E181 IonicContact CZ-OE2 3.77Å; R156-E181 IonicContact NH1-OE2 2.98Å; R156-E181 IonicContact NH2-OE2 3.19Å; R156-E181 PolarHBondContact NH2-OE2 2.94Å; R156-V193 HydrophobicContact CB-CB 4.26Å; R156-V193 HydrophobicContact CB-CG2 4.18Å; R156-A194 VanDerWaalsContact O-CA 3.27Å; R156-A194 WeakPolarHBondContact O-CA 3.48Å; R156-A194 WeakPolarHBondContact O-CB 3.37Å; R156-A194 PolarHBondContact O-N 3.17Å; R156-Y210 PolarHBondContact NH1-OH 3.39Å; R156-L214 HydrophobicContact CB-CD2 4.26Å; R156-L214 HydrophobicContact CG-CD2 4.16Å; R156-D215 WeakPolarHBondContact CA-OD1 3.46Å; R156-D215 PolarHBondContact N-OD1 3.27Å
157	D	98.5	Very high	98.1	Very high	6 Å²	6	19.9 Å²	19.9	3%	0.032	10%	0.097	C	C	.	.			trans	-150.3	41.6	170.9	-162	32.9	0	0	0	111.8	H155 K159 N162 L179 A194 S195	H155-D157 PolarHBondContact CE1-O 3.28Å; H155-D157 VanDerWaalsContact ND1-C 3.29Å; H155-D157 PolarHBondContact ND1-N 2.7Å; H155-D157 PolarHBondContact O-N 2.86Å; H155-D157 VanDerWaalsContact O-N 3.17Å; D157-K159 VanDerWaalsContact CG-NZ 3.35Å; D157-K159 PolarHBondContact O-N 3.19Å; D157-K159 IonicContact OD1-NZ 3.45Å; D157-K159 PolarHBondContact OD1-NZ 2.9Å; D157-K159 IonicContact OD2-NZ 2.98Å; D157-K159 PolarHBondContact OD2-NZ 3.03Å; D157-N162 PolarHBondContact O-ND2 3.18Å; D157-N162 PolarHBondContact OD2-ND2 3.12Å; D157-L179 HydrophobicContact CB-CB 4.26Å; D157-L179 HydrophobicContact CB-CD1 3.9Å; D157-A194 WeakPolarHBondContact OD1-CA 3.21Å; D157-S195 PolarHBondContact OD1-N 2.91Å; D157-S195 PolarHBondContact OD1-OG 3.45Å; D157-S195 VanDerWaalsContact OD1-OG 3.07Å
158	V	98.8	Very high	97.9	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.123	C	C	.	.			trans	-66.3	123.9	173.9	179.1	0	0	0	0	108.9	L141 L145 H155 D215 S218 M222	L141-V158 HydrophobicContact CD2-CG1 4.28Å; L145-V158 HydrophobicContact CD2-CG2 3.83Å; H155-V158 HydrophobicContact CB-CG2 3.91Å; H155-V158 PolarHBondContact ND1-N 3.06Å; V158-D215 HydrophobicContact CG2-CB 4Å; V158-S218 WeakPolarHBondContact O-CB 3.3Å; V158-M222 HydrophobicContact CG1-SD 3.83Å
159	K	97.8	Very high	97.7	Very high	27 Å²	27	29.9 Å²	29.9	12%	0.117	15%	0.148	C	C	.	.	S	Bend	trans	-168.2	163	-179	67	-165.9	-176.5	-155.3	0	109.7	D157 H161 N162 S195 F198	D157-K159 VanDerWaalsContact CG-NZ 3.35Å; D157-K159 PolarHBondContact O-N 3.19Å; D157-K159 IonicContact OD1-NZ 3.45Å; D157-K159 PolarHBondContact OD1-NZ 2.9Å; D157-K159 IonicContact OD2-NZ 2.98Å; D157-K159 PolarHBondContact OD2-NZ 3.03Å; K159-H161 VanDerWaalsContact C-N 3.27Å; K159-H161 HydrophobicContact CG-CB 4.28Å; K159-H161 PolarHBondContact O-N 2.94Å; K159-H161 VanDerWaalsContact O-N 3.15Å; K159-N162 WeakPolarHBondContact CE-ND2 3.49Å; K159-N162 HydrophobicContact CG-CB 4.17Å; K159-N162 PolarHBondContact O-N 2.91Å; K159-S195 WeakPolarHBondContact CD-OG 3.28Å; K159-S195 PolarHBondContact NZ-OG 3.27Å; K159-F198 HydrophobicContact CB-CD1 4.31Å; K159-F198 HydrophobicContact CB-CD2 3.67Å; K159-F198 HydrophobicContact CB-CE1 4.36Å; K159-F198 HydrophobicContact CB-CE2 3.72Å; K159-F198 HydrophobicContact CB-CG 3.99Å; K159-F198 HydrophobicContact CB-CZ 4.09Å
160	P	97.1	Very high	97.5	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.013	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-53.4	-40.3	-178	-28.1	35.8	0	0	0	114.1	F122 Y126 N162 V163 F198 M222	F122-P160 HydrophobicContact CB-CB 4.09Å; F122-P160 HydrophobicContact CD1-CB 4.02Å; F122-P160 HydrophobicContact CD2-CB 3.47Å; F122-P160 VanDerWaalsContact CD2-CB 3.47Å; F122-P160 HydrophobicContact CD2-CG 4.34Å; F122-P160 HydrophobicContact CE1-CB 4.42Å; F122-P160 HydrophobicContact CE2-CB 3.95Å; F122-P160 HydrophobicContact CG-CB 3.54Å; F122-P160 HydrophobicContact CZ-CB 4.39Å; Y126-P160 HydrophobicContact CE2-CB 4.14Å; Y126-P160 HydrophobicContact CE2-CG 3.93Å; P160-N162 PolarHBondContact O-N 3.2Å; P160-N162 VanDerWaalsContact O-N 3.15Å; P160-V163 PolarHBondContact O-N 3.23Å; P160-F198 HydrophobicContact CG-CE1 4.43Å; P160-F198 HydrophobicContact CG-CZ 4.02Å; P160-M222 HydrophobicContact CG-CE 4.23Å; P160-M222 HydrophobicContact CG-CG 4.23Å
161	H	95.4	Very high	97.4	Very high	104 Å²	104	36.7 Å²	36.7	48%	0.481	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-63.9	-21.7	179.7	-64.9	71.7	0	0	0	114.1	F122 K159 M164	F122-H161 AromaticContact CE1-CD2 3.66Å; F122-H161 AromaticContact CE1-CE1 3.33Å; F122-H161 WeakPolarHBondContact CE1-CE1 3.48Å; F122-H161 AromaticContact CE1-CG 3.63Å; F122-H161 AromaticContact CE1-ND1 3.41Å; F122-H161 WeakPolarHBondContact CE1-ND1 3.43Å; F122-H161 AromaticContact CE1-NE2 3.5Å; F122-H161 AromaticContact CZ-CE1 3.16Å; F122-H161 WeakPolarHBondContact CZ-CE1 3.46Å; F122-H161 AromaticContact CZ-ND1 3.55Å; F122-H161 AromaticContact CZ-NE2 3.66Å; K159-H161 VanDerWaalsContact C-N 3.27Å; K159-H161 HydrophobicContact CG-CB 4.28Å; K159-H161 PolarHBondContact O-N 2.94Å; K159-H161 VanDerWaalsContact O-N 3.15Å; H161-M164 WeakPolarHBondContact O-CE 3.44Å
162	N	97.8	Very high	97.3	Very high	8 Å²	8	35.1 Å²	35.1	4%	0.043	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-100.4	8.2	179.7	-72.1	-7	0	0	0	112.1	D157 K159 P160 L174 I175	D157-N162 PolarHBondContact O-ND2 3.18Å; D157-N162 PolarHBondContact OD2-ND2 3.12Å; K159-N162 WeakPolarHBondContact CE-ND2 3.49Å; K159-N162 HydrophobicContact CG-CB 4.17Å; K159-N162 PolarHBondContact O-N 2.91Å; P160-N162 PolarHBondContact O-N 3.2Å; P160-N162 VanDerWaalsContact O-N 3.15Å; N162-L174 WeakPolarHBondContact O-CD1 3.42Å; N162-I175 HydrophobicContact CB-CG1 4.21Å; N162-I175 WeakPolarHBondContact O-CG1 3.46Å; N162-I175 PolarHBondContact O-N 3.35Å
163	V	98.2	Very high	97.3	Very high	8 Å²	8	37.8 Å²	37.8	5%	0.048	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	99.9	176.6	-178.9	0	0	0	0	108.1	L141 P160 I165 L172 L174 M222	L141-V163 HydrophobicContact CD1-CG2 3.92Å; L141-V163 HydrophobicContact CD2-CG2 4.15Å; P160-V163 PolarHBondContact O-N 3.23Å; V163-I165 HydrophobicContact CG1-CD1 4.23Å; V163-I165 HydrophobicContact CG1-CG1 4.1Å; V163-L172 HydrophobicContact CG1-CD1 3.48Å; V163-L172 VanDerWaalsContact CG1-CD1 3.48Å; V163-L172 HydrophobicContact CG1-CD2 4.06Å; V163-L172 HydrophobicContact CG1-CG 3.67Å; V163-L174 HydrophobicContact CG2-CD1 4.3Å; V163-M222 HydrophobicContact CG2-CE 3.96Å
164	M	97.4	Very high	97.3	Very high	43 Å²	43	37.8 Å²	37.8	21%	0.212	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	127.2	179.8	-67.4	-70.6	147.6	0	0	109.4	I117 N119 H161 L172 R173 I175	I117-M164 HydrophobicContact CD1-CB 3.8Å; I117-M164 HydrophobicContact CD1-CG 4.2Å; I117-M164 HydrophobicContact CG2-CB 4.11Å; N119-M164 HydrophobicContact CB-SD 3.52Å; N119-M164 VanDerWaalsContact CB-SD 3.52Å; N119-M164 VanDerWaalsContact OD1-CA 3.29Å; N119-M164 WeakPolarHBondContact OD1-CA 3.43Å; N119-M164 PolarHBondContact OD1-SD 2.84Å; N119-M164 VanDerWaalsContact OD1-SD 3.36Å; H161-M164 WeakPolarHBondContact O-CE 3.44Å; M164-L172 CarbonylContact O-C 3.19Å; M164-L172 WeakPolarHBondContact O-CA 3.41Å; M164-R173 HydrophobicContact CB-CB 4.44Å; M164-R173 PolarHBondContact N-O 3.27Å; M164-R173 PolarHBondContact O-N 3.25Å; M164-I175 HydrophobicContact CB-CG2 4.23Å; M164-I175 HydrophobicContact CE-CD1 3.34Å; M164-I175 HydrophobicContact CE-CG1 4.31Å; M164-I175 HydrophobicContact CG-CD1 3.86Å; M164-I175 HydrophobicContact CG-CG1 4.13Å; M164-I175 HydrophobicContact CG-CG2 3.59Å; M164-I175 HydrophobicContact SD-CD1 4.36Å
165	I	97.6	Very high	97.3	Very high	7 Å²	7	39.3 Å²	39.3	4%	0.036	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	119	-177	-62.1	173.8	0	0	0	110.1	N119 T120 L125 Y137 V163 H167 K171 L172	N119-I165 WeakPolarHBondContact CA-O 3.49Å; N119-I165 PolarHBondContact OD1-N 3Å; T120-I165 PolarHBondContact N-O 3.43Å; L125-I165 HydrophobicContact CD2-CB 3.83Å; L125-I165 HydrophobicContact CD2-CD1 3.82Å; L125-I165 HydrophobicContact CD2-CG1 4.41Å; L125-I165 HydrophobicContact CD2-CG2 3.68Å; Y137-I165 HydrophobicContact CD1-CD1 4.05Å; Y137-I165 HydrophobicContact CD1-CG1 4.3Å; Y137-I165 HydrophobicContact CD1-CG2 4.12Å; Y137-I165 HydrophobicContact CD2-CD1 4.29Å; Y137-I165 HydrophobicContact CE1-CD1 4.46Å; Y137-I165 HydrophobicContact CE1-CG1 4.44Å; Y137-I165 HydrophobicContact CE1-CG2 3.46Å; Y137-I165 VanDerWaalsContact CE1-CG2 3.46Å; Y137-I165 HydrophobicContact CE2-CG2 4.11Å; Y137-I165 HydrophobicContact CG-CD1 3.98Å; Y137-I165 VanDerWaalsContact CZ-CG2 3.46Å; V163-I165 HydrophobicContact CG1-CD1 4.23Å; V163-I165 HydrophobicContact CG1-CG1 4.1Å; I165-H167 HydrophobicContact CG2-CB 4.3Å; I165-K171 WeakPolarHBondContact CA-O 3.45Å; I165-L172 HydrophobicContact CD1-CD1 4.41Å; I165-L172 HydrophobicContact CG1-CD1 4.22Å; I165-L172 HydrophobicContact CG1-CG 4.36Å
166	D	96.5	Very high	97.2	Very high	14 Å²	14	41.9 Å²	41.9	8%	0.075	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	98.4	160.1	-174.7	-28.9	0	0	0	107.4	N118 Q168 L169 R170 K171	N118-D166 WeakPolarHBondContact O-CA 3.27Å; N118-D166 WeakPolarHBondContact O-CB 3.43Å; D166-Q168 VanDerWaalsContact C-N 3.33Å; D166-Q168 PolarHBondContact OD1-N 3.27Å; D166-L169 HydrophobicContact CB-CB 4.44Å; D166-L169 PolarHBondContact OD1-N 2.83Å; D166-L169 WeakPolarHBondContact OD2-CD1 3.43Å; D166-R170 WeakPolarHBondContact O-CA 3.42Å; D166-R170 PolarHBondContact O-N 3.25Å; D166-K171 HydrophobicContact CB-CB 4.29Å; D166-K171 PolarHBondContact N-O 3.41Å; D166-K171 PolarHBondContact O-N 3.02Å
167	H	95.8	Very high	97.2	Very high	58 Å²	58	41.6 Å²	41.6	27%	0.269	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-32.6	-174.6	-171.5	52.8	0	0	0	112.3	L125 D133 Y137 I165 R170	L125-H167 HydrophobicContact CD1-CB 3.9Å; D133-H167 IonicContact OD1-CE1 2.88Å; Y137-H167 AromaticContact CE2-ND1 3.62Å; Y137-H167 AromaticContact CZ-ND1 3.65Å; Y137-H167 WeakPolarHBondContact OH-CA 3.5Å; Y137-H167 PolarHBondContact OH-ND1 3.09Å; I165-H167 HydrophobicContact CG2-CB 4.3Å; H167-R170 PolarHBondContact O-N 2.93Å
168	Q	94.1	Very high	97.1	Very high	166 Å²	166	41.5 Å²	41.5	78%	0.776	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-41.8	178.7	-65.1	179.6	-3.9	0	0	111.2	D166	D166-Q168 VanDerWaalsContact C-N 3.33Å; D166-Q168 PolarHBondContact OD1-N 3.27Å
169	L	95.2	Very high	97.1	Very high	103 Å²	103	43.1 Å²	43.1	54%	0.539	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	0.4	179.2	-59.7	-175.1	0	0	0	113.9	D166 K171	D166-L169 HydrophobicContact CB-CB 4.44Å; D166-L169 PolarHBondContact OD1-N 2.83Å; D166-L169 WeakPolarHBondContact OD2-CD1 3.43Å; L169-K171 HydrophobicContact CB-CD 4.12Å; L169-K171 HydrophobicContact CB-CG 4.08Å; L169-K171 HydrophobicContact CD1-CD 4.39Å; L169-K171 PolarHBondContact O-N 3.1Å
170	R	95.3	Very high	97.1	Very high	71 Å²	71	41.9 Å²	41.9	27%	0.268	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	50	39.9	-171.8	-57.4	-169.1	71.4	80.5	-4.5	113.5	D133 F136 D166 H167	D133-R170 IonicContact OD1-CZ 3.83Å; D133-R170 IonicContact OD1-NH1 2.91Å; D133-R170 PolarHBondContact OD1-NH1 2.84Å; D133-R170 IonicContact OD1-NH2 2.71Å; D133-R170 PolarHBondContact OD1-NH2 3.41Å; F136-R170 VanDerWaalsContact CB-NH2 3.29Å; F136-R170 VanDerWaalsContact CD1-NH2 3.34Å; F136-R170 HydrophobicContact CE1-CB 3.8Å; F136-R170 WeakPolarHBondContact CE1-O 3.44Å; F136-R170 HydrophobicContact CZ-CB 3.87Å; D166-R170 WeakPolarHBondContact O-CA 3.42Å; D166-R170 PolarHBondContact O-N 3.25Å; H167-R170 PolarHBondContact O-N 2.93Å
171	K	96.3	Very high	97.2	Very high	112 Å²	112	42.5 Å²	42.5	49%	0.487	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	139.9	179	-68.8	178.9	-179.2	175.6	0	111.3	I165 D166 L169	I165-K171 WeakPolarHBondContact CA-O 3.45Å; D166-K171 HydrophobicContact CB-CB 4.29Å; D166-K171 PolarHBondContact N-O 3.41Å; D166-K171 PolarHBondContact O-N 3.02Å; L169-K171 HydrophobicContact CB-CD 4.12Å; L169-K171 HydrophobicContact CB-CG 4.08Å; L169-K171 HydrophobicContact CD1-CD 4.39Å; L169-K171 PolarHBondContact O-N 3.1Å
172	L	98.3	Very high	97.4	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.01	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	143.5	176.7	-175.1	150.1	0	0	0	110.4	N94 Y137 E140 L141 V163 M164 I165	N94-L172 HydrophobicContact CB-CD2 4.13Å; N94-L172 WeakPolarHBondContact CB-O 3.3Å; N94-L172 PolarHBondContact OD1-O 3.29Å; Y137-L172 HydrophobicContact CD1-CB 4.42Å; Y137-L172 HydrophobicContact CD1-CD1 4.01Å; Y137-L172 WeakPolarHBondContact O-CD1 3.35Å; E140-L172 HydrophobicContact CB-CB 4.12Å; E140-L172 HydrophobicContact CB-CD1 4.21Å; L141-L172 HydrophobicContact CB-CD1 4.27Å; L141-L172 HydrophobicContact CB-CD2 4.46Å; L141-L172 HydrophobicContact CD1-CD2 4.44Å; V163-L172 HydrophobicContact CG1-CD1 3.48Å; V163-L172 VanDerWaalsContact CG1-CD1 3.48Å; V163-L172 HydrophobicContact CG1-CD2 4.06Å; V163-L172 HydrophobicContact CG1-CG 3.67Å; M164-L172 CarbonylContact O-C 3.19Å; M164-L172 WeakPolarHBondContact O-CA 3.41Å; I165-L172 HydrophobicContact CD1-CD1 4.41Å; I165-L172 HydrophobicContact CG1-CD1 4.22Å; I165-L172 HydrophobicContact CG1-CG 4.36Å
173	R	98.6	Very high	97.4	Very high	55 Å²	55	37.5 Å²	37.5	21%	0.208	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	128.7	168.7	-67	-70.7	-173.9	-88.5	2.4	110.9	N94 I95 E115 I117 M164 I175	N94-R173 CarbonylContact O-C 3.44Å; N94-R173 VanDerWaalsContact O-CA 3.31Å; N94-R173 WeakPolarHBondContact O-CA 3.34Å; N94-R173 PolarHBondContact OD1-NH1 3.49Å; I95-R173 WeakPolarHBondContact O-CD 3.4Å; E115-R173 IonicContact OE1-NE 3.94Å; E115-R173 PolarHBondContact OE1-NE 3.37Å; I117-R173 HydrophobicContact CD1-CB 3.48Å; I117-R173 VanDerWaalsContact CD1-CB 3.48Å; I117-R173 HydrophobicContact CD1-CG 3.56Å; I117-R173 HydrophobicContact CG1-CG 4.13Å; M164-R173 HydrophobicContact CB-CB 4.44Å; M164-R173 PolarHBondContact N-O 3.27Å; M164-R173 PolarHBondContact O-N 3.25Å; R173-I175 HydrophobicContact CB-CG2 4.4Å
174	L	98.8	Very high	97.4	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	123.8	166.9	-177.8	59.3	0	0	0	109.4	N94 I96 L141 A144 L145 N162 V163 W177	N94-L174 PolarHBondContact O-N 3.01Å; I96-L174 WeakPolarHBondContact CG2-O 3.37Å; I96-L174 PolarHBondContact N-O 3.23Å; L141-L174 HydrophobicContact CD1-CD1 4.17Å; L141-L174 HydrophobicContact CD1-CD2 4.44Å; A144-L174 HydrophobicContact CB-CB 4.11Å; A144-L174 HydrophobicContact CB-CD2 4.23Å; L145-L174 HydrophobicContact CD2-CD2 3.92Å; N162-L174 WeakPolarHBondContact O-CD1 3.42Å; V163-L174 HydrophobicContact CG2-CD1 4.3Å; L174-W177 HydrophobicContact CB-CZ2 4.29Å; L174-W177 HydrophobicContact CD2-CH2 3.8Å; L174-W177 HydrophobicContact CD2-CZ2 3.69Å; L174-W177 HydrophobicContact CG-CH2 4.43Å; L174-W177 HydrophobicContact CG-CZ2 3.84Å; L174-W177 PolarHBondContact O-NE1 3.03Å
175	I	98.4	Very high	97.4	Very high	32 Å²	32	38.2 Å²	38.2	16%	0.164	18%	0.182	C	C	.	.			trans	-119.8	174.1	-174.1	72.7	155.7	0	0	0	112.4	I96 I117 H155 N162 M164 R173	I96-I175 HydrophobicContact CB-CG2 4.03Å; I96-I175 HydrophobicContact CD1-CG2 4.22Å; I96-I175 HydrophobicContact CG1-CG2 4.29Å; I96-I175 HydrophobicContact CG2-CB 4.48Å; I96-I175 HydrophobicContact CG2-CG2 4.46Å; I117-I175 HydrophobicContact CD1-CG2 4.45Å; H155-I175 PolarHBondContact NE2-O 2.93Å; N162-I175 HydrophobicContact CB-CG1 4.21Å; N162-I175 WeakPolarHBondContact O-CG1 3.46Å; N162-I175 PolarHBondContact O-N 3.35Å; M164-I175 HydrophobicContact CB-CG2 4.23Å; M164-I175 HydrophobicContact CE-CD1 3.34Å; M164-I175 HydrophobicContact CE-CG1 4.31Å; M164-I175 HydrophobicContact CG-CD1 3.86Å; M164-I175 HydrophobicContact CG-CG1 4.13Å; M164-I175 HydrophobicContact CG-CG2 3.59Å; M164-I175 HydrophobicContact SD-CD1 4.36Å; R173-I175 HydrophobicContact CB-CG2 4.4Å
176	D	96.8	Very high	97.3	Very high	55 Å²	55	41.9 Å²	41.9	29%	0.294	21%	0.208	S	C	.	.			trans	60.2	68.4	174.4	-160.9	9.4	0	0	0	115.6	K69 G178	K69-D176 IonicContact NZ-OD1 2.71Å; K69-D176 PolarHBondContact NZ-OD1 3.36Å; D176-G178 PolarHBondContact O-N 2.72Å; D176-G178 VanDerWaalsContact O-N 3.15Å
177	W	98.4	Very high	97.3	Very high	1 Å²	1	44.9 Å²	44.9	0%	0.004	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-78.7	12.2	177.5	-62.1	82.3	0	0	0	113.9	I85 L86 L89 I95 C148 I153 H155 L174 L179 A180	I85-W177 HydrophobicContact CG2-CB 4.11Å; I85-W177 HydrophobicContact CG2-CD2 4.22Å; I85-W177 HydrophobicContact CG2-CE3 3.74Å; I85-W177 HydrophobicContact CG2-CG 4.4Å; L86-W177 HydrophobicContact CD2-CB 4.22Å; L86-W177 VanDerWaalsContact CD2-CD1 3.44Å; L86-W177 HydrophobicContact CD2-CG 3.9Å; L86-W177 HydrophobicContact CG-CB 4.25Å; L86-W177 HydrophobicContact CG-CG 4.42Å; L89-W177 HydrophobicContact CD1-CD2 4Å; L89-W177 HydrophobicContact CD1-CE3 3.52Å; L89-W177 HydrophobicContact CD1-CH2 3.54Å; L89-W177 HydrophobicContact CD1-CZ2 4Å; L89-W177 HydrophobicContact CD1-CZ3 3.27Å; I95-W177 HydrophobicContact CD1-CH2 3.72Å; I95-W177 HydrophobicContact CD1-CZ2 3.44Å; I95-W177 VanDerWaalsContact CD1-CZ2 3.44Å; I95-W177 HydrophobicContact CG2-CZ2 3.93Å; C148-W177 HydrophobicContact CB-CH2 3.56Å; C148-W177 HydrophobicContact CB-CZ3 3.74Å; I153-W177 HydrophobicContact CG2-CE3 4.34Å; I153-W177 HydrophobicContact CG2-CZ3 4.11Å; H155-W177 HydrophobicContact CB-CZ3 4.21Å; H155-W177 AromaticContact CD2-CD2 3.79Å; H155-W177 AromaticContact CD2-CE2 3.9Å; H155-W177 AromaticContact CD2-CE3 3.66Å; H155-W177 AromaticContact CD2-CH2 3.79Å; H155-W177 AromaticContact CD2-CZ2 3.9Å; H155-W177 AromaticContact CD2-CZ3 3.67Å; L174-W177 HydrophobicContact CB-CZ2 4.29Å; L174-W177 HydrophobicContact CD2-CH2 3.8Å; L174-W177 HydrophobicContact CD2-CZ2 3.69Å; L174-W177 HydrophobicContact CG-CH2 4.43Å; L174-W177 HydrophobicContact CG-CZ2 3.84Å; L174-W177 PolarHBondContact O-NE1 3.03Å; W177-L179 PolarHBondContact O-N 2.75Å; W177-A180 HydrophobicContact CB-CB 4.3Å; W177-A180 HydrophobicContact CE3-CB 3.81Å; W177-A180 VanDerWaalsContact O-CB 3.31Å; W177-A180 WeakPolarHBondContact O-CB 3.1Å; W177-A180 PolarHBondContact O-N 3.27Å; W177-A180 VanDerWaalsContact O-N 3.11Å
178	G	97.4	Very high	97.4	Very high	4 Å²	4	48.1 Å²	48.1	4%	0.041	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-68.4	-17.6	-175.4	0	0	0	0	0	114.8	K78 R81 E82 D176	K78-G178 WeakPolarHBondContact CE-O 3.42Å; R81-G178 PolarHBondContact NH2-O 3.42Å; E82-G178 VanDerWaalsContact CD-CA 3.49Å; E82-G178 WeakPolarHBondContact OE2-CA 3.08Å; D176-G178 PolarHBondContact O-N 2.72Å; D176-G178 VanDerWaalsContact O-N 3.15Å
179	L	97.8	Very high	97.5	Very high	34 Å²	34	40.6 Å²	40.6	18%	0.178	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-103.3	-5.9	172.9	-68.1	-176.3	0	0	0	113.6	H155 R156 D157 W177	H155-L179 CarbonylContact O-C 3.57Å; R156-L179 PolarHBondContact NE-O 3.5Å; R156-L179 PolarHBondContact NH2-O 2.9Å; D157-L179 HydrophobicContact CB-CB 4.26Å; D157-L179 HydrophobicContact CB-CD1 3.9Å; W177-L179 PolarHBondContact O-N 2.75Å
180	A	98.8	Very high	97.7	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.2	C	C	.	.			trans	-62.5	160.4	180	0	0	0	0	0	112.5	R81 I85 I153 M154 H155 W177	R81-A180 WeakPolarHBondContact CD-O 3.28Å; R81-A180 PolarHBondContact NE-O 2.96Å; I85-A180 HydrophobicContact CD1-CB 3.64Å; I85-A180 HydrophobicContact CG2-CB 4.2Å; I153-A180 HydrophobicContact CG2-CB 4.19Å; M154-A180 CarbonylContact O-C 3.59Å; M154-A180 WeakPolarHBondContact O-CA 3.43Å; M154-A180 VanDerWaalsContact O-CB 3.23Å; M154-A180 WeakPolarHBondContact O-CB 3.19Å; H155-A180 WeakPolarHBondContact O-CA 3.2Å; H155-A180 PolarHBondContact O-N 3.36Å; W177-A180 HydrophobicContact CB-CB 4.3Å; W177-A180 HydrophobicContact CE3-CB 3.81Å; W177-A180 VanDerWaalsContact O-CB 3.31Å; W177-A180 WeakPolarHBondContact O-CB 3.1Å; W177-A180 PolarHBondContact O-N 3.27Å; W177-A180 VanDerWaalsContact O-N 3.11Å
181	E	98.9	Very high	97.8	Very high	16 Å²	16	37.6 Å²	37.6	8%	0.075	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	152.4	178.6	-157.7	71.2	-113.7	0	0	111.7	Y27 R81 I153 M154 R156 Y189	Y27-E181 WeakPolarHBondContact CE1-OE1 3.2Å; Y27-E181 PolarHBondContact OH-OE1 3.06Å; R81-E181 WeakPolarHBondContact CD-OE1 3.45Å; R81-E181 IonicContact CZ-OE2 3.11Å; R81-E181 VanDerWaalsContact CZ-OE2 3.26Å; R81-E181 IonicContact NE-OE1 3.98Å; R81-E181 IonicContact NE-OE2 2.71Å; R81-E181 IonicContact NH1-OE1 3.97Å; R81-E181 IonicContact NH1-OE2 3.26Å; R81-E181 PolarHBondContact NH1-OE2 3.31Å; R81-E181 IonicContact NH2-OE2 2.69Å; I153-E181 CarbonylContact C-O 3.55Å; I153-E181 WeakPolarHBondContact CA-O 3.08Å; M154-E181 HydrophobicContact CE-CB 4.31Å; M154-E181 PolarHBondContact N-O 2.93Å; M154-E181 PolarHBondContact O-N 3.35Å; R156-E181 IonicContact CZ-OE2 3.77Å; R156-E181 IonicContact NH1-OE2 2.98Å; R156-E181 IonicContact NH2-OE2 3.19Å; R156-E181 PolarHBondContact NH2-OE2 2.94Å; E181-Y189 HydrophobicContact CG-CD1 3.97Å; E181-Y189 HydrophobicContact CG-CE1 3.88Å
182	F	98.9	Very high	97.8	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.009	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	133.2	164.9	-65	-84.3	0	0	0	110.5	Y24 W25 Y27 K84 I85 N88 G152 I153	Y24-F182 HydrophobicContact CD1-CD1 4.42Å; Y24-F182 HydrophobicContact CD1-CE1 4.03Å; Y24-F182 HydrophobicContact CE1-CD1 4.17Å; Y24-F182 AromaticContact CE1-CE1 3.76Å; Y24-F182 HydrophobicContact CE1-CE1 3.76Å; Y24-F182 WeakPolarHBondContact O-CZ 3.34Å; W25-F182 HydrophobicContact CB-CB 4.18Å; W25-F182 HydrophobicContact CB-CD1 3.7Å; W25-F182 HydrophobicContact CB-CD2 4.31Å; W25-F182 HydrophobicContact CB-CE1 4.15Å; W25-F182 HydrophobicContact CB-CG 3.79Å; Y27-F182 AromaticContact CD1-CD2 3.71Å; Y27-F182 HydrophobicContact CD1-CD2 3.71Å; Y27-F182 AromaticContact CD1-CE2 3.78Å; Y27-F182 HydrophobicContact CD1-CE2 3.78Å; Y27-F182 HydrophobicContact CE1-CD2 4.07Å; K84-F182 HydrophobicContact CG-CE2 4.43Å; K84-F182 HydrophobicContact CG-CZ 4.15Å; I85-F182 HydrophobicContact CD1-CD2 4.44Å; I85-F182 HydrophobicContact CD1-CE2 4.16Å; I85-F182 HydrophobicContact CG1-CD2 4.27Å; I85-F182 HydrophobicContact CG1-CE1 4.48Å; I85-F182 HydrophobicContact CG1-CE2 3.55Å; I85-F182 HydrophobicContact CG1-CZ 3.67Å; N88-F182 WeakPolarHBondContact ND2-CE1 3.28Å; N88-F182 WeakPolarHBondContact ND2-CZ 3.42Å; G152-F182 CarbonylContact O-C 3.56Å; G152-F182 WeakPolarHBondContact O-CA 3.31Å; I153-F182 HydrophobicContact CD1-CD1 4.37Å; I153-F182 HydrophobicContact CD1-CE1 3.83Å; I153-F182 HydrophobicContact CD1-CZ 4.36Å; I153-F182 HydrophobicContact CG1-CD1 3.78Å; I153-F182 HydrophobicContact CG1-CE1 3.76Å; I153-F182 HydrophobicContact CG1-CZ 4.47Å
183	Y	98.8	Very high	97.7	Very high	4 Å²	4	43 Å²	43	2%	0.016	21%	0.21	C	C	.	.			trans	-86.4	129.6	173.3	177.1	-95.1	0	0	0	111.5	K9 A10 A14 N17 G152 M154 P185 Y189 D211 Y212	K9-Y183 WeakPolarHBondContact CA-OH 3.48Å; A10-Y183 HydrophobicContact CB-CD1 4.47Å; A10-Y183 HydrophobicContact CB-CE1 3.78Å; A10-Y183 HydrophobicContact CB-CE2 4.41Å; A10-Y183 PolarHBondContact N-OH 3.23Å; A14-Y183 HydrophobicContact CB-CE1 4.25Å; A14-Y183 WeakPolarHBondContact O-CE1 3.43Å; N17-Y183 PolarHBondContact ND2-N 3.3Å; N17-Y183 PolarHBondContact ND2-O 3.15Å; G152-Y183 PolarHBondContact O-N 2.95Å; M154-Y183 HydrophobicContact CE-CD2 4.14Å; M154-Y183 HydrophobicContact SD-CD2 4.18Å; Y183-P185 HydrophobicContact CE1-CG 4.22Å; Y183-Y189 VanDerWaalsContact CA-OH 3.31Å; Y183-Y189 WeakPolarHBondContact CA-OH 3.23Å; Y183-Y189 HydrophobicContact CD2-CE2 4.15Å; Y183-Y189 HydrophobicContact CE2-CE2 4.4Å; Y183-D211 HydrophobicContact CD2-CB 3.88Å; Y183-D211 HydrophobicContact CE2-CB 3.43Å; Y183-D211 VanDerWaalsContact CE2-CB 3.43Å; Y183-Y212 VanDerWaalsContact CB-CE1 3.49Å; Y183-Y212 VanDerWaalsContact CB-CZ 3.5Å; Y183-Y212 WeakPolarHBondContact CB-OH 3.43Å; Y183-Y212 HydrophobicContact CD1-CE1 4.46Å; Y183-Y212 AromaticContact CD1-CE2 3.87Å; Y183-Y212 HydrophobicContact CD1-CE2 3.87Å; Y183-Y212 AromaticContact CD1-CZ 3.62Å; Y183-Y212 VanDerWaalsContact CD1-OH 3.28Å; Y183-Y212 WeakPolarHBondContact CD1-OH 3.17Å; Y183-Y212 HydrophobicContact CE1-CE2 4.38Å; Y183-Y212 HydrophobicContact CG-CE1 4.04Å; Y183-Y212 HydrophobicContact CG-CE2 4.08Å; Y183-Y212 AromaticContact CG-CZ 3.64Å
184	H	98.4	Very high	97.6	Very high	32 Å²	32	41 Å²	41	15%	0.148	21%	0.205	C	C	.	.			trans	-125.1	136.8	167.1	-60.3	-80.6	0	0	0	109.1	W25 Q187 Y189	W25-H184 AromaticContact CD2-CE1 3.53Å; W25-H184 AromaticContact CD2-NE2 3.94Å; W25-H184 AromaticContact CE2-CE1 3.99Å; W25-H184 AromaticContact CE3-CE1 3.79Å; W25-H184 AromaticContact CE3-NE2 3.83Å; W25-H184 AromaticContact CG-CE1 3.65Å; H184-Q187 HydrophobicContact CB-CB 4.09Å; H184-Q187 PolarHBondContact CD2-OE1 2.78Å; H184-Q187 WeakPolarHBondContact O-CB 3.48Å; H184-Q187 PolarHBondContact O-N 3.09Å; H184-Y189 PolarHBondContact N-OH 3.5Å; H184-Y189 PolarHBondContact O-OH 3.48Å; H184-Y189 VanDerWaalsContact O-OH 3.07Å
185	P	97.1	Very high	97.4	Very high	34 Å²	34	42.9 Å²	42.9	22%	0.221	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	141.2	174.9	-25.7	34.4	0	0	0	112	K9 A14 D15 Y183 Q187	K9-P185 HydrophobicContact CD-CB 4.47Å; K9-P185 HydrophobicContact CG-CB 4.43Å; A14-P185 VanDerWaalsContact O-CD 3.28Å; A14-P185 WeakPolarHBondContact O-CD 3.48Å; A14-P185 WeakPolarHBondContact O-CG 3.45Å; D15-P185 WeakPolarHBondContact OD1-CG 3.5Å; Y183-P185 HydrophobicContact CE1-CG 4.22Å; P185-Q187 PolarHBondContact O-N 2.91Å
186	S	93.9	Very high	97.4	Very high	84 Å²	84	45.6 Å²	45.6	59%	0.587	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.5	5.7	178.4	-51.5	0	0	0	0	115.8
187	Q	96.7	Very high	97.5	Very high	77 Å²	77	46 Å²	46	36%	0.36	23%	0.225	S	C	.	.			trans	-76.2	134.9	173.1	178.2	171	-31.1	0	0	110.5	H184 P185 Y189	H184-Q187 HydrophobicContact CB-CB 4.09Å; H184-Q187 PolarHBondContact CD2-OE1 2.78Å; H184-Q187 WeakPolarHBondContact O-CB 3.48Å; H184-Q187 PolarHBondContact O-N 3.09Å; P185-Q187 PolarHBondContact O-N 2.91Å; Q187-Y189 HydrophobicContact CB-CE1 4.45Å; Q187-Y189 HydrophobicContact CB-CE2 4.14Å; Q187-Y189 HydrophobicContact CG-CD1 4.41Å; Q187-Y189 HydrophobicContact CG-CE1 3.92Å; Q187-Y189 HydrophobicContact CG-CE2 4.29Å; Q187-Y189 VanDerWaalsContact NE2-CE1 3.32Å; Q187-Y189 WeakPolarHBondContact O-CD2 3.28Å; Q187-Y189 WeakPolarHBondContact O-CE2 3.08Å
188	E	97.6	Very high	97.5	Very high	127 Å²	127	46.5 Å²	46.5	59%	0.593	23%	0.227	S	C	*	.			trans	-84.6	131.7	169.9	-69.5	177.1	167.5	0	0	110.4	Q208 M209	E188-Q208 HydrophobicContact CB-CB 3.88Å; E188-Q208 HydrophobicContact CG-CB 4.07Å; E188-M209 HydrophobicContact CG-CG 3.91Å
189	Y	98	Very high	97.6	Very high	8 Å²	8	47 Å²	47	3%	0.031	23%	0.227	C	C	.	.			trans	-114.8	151.2	179.3	-57.2	-84.6	0	0	0	111.6	M154 E181 Y183 H184 Q187 V191 Q208 Y210	M154-Y189 HydrophobicContact CE-CD1 4.06Å; M154-Y189 HydrophobicContact CE-CD2 4.23Å; M154-Y189 HydrophobicContact CE-CE1 3.73Å; M154-Y189 HydrophobicContact CE-CE2 3.94Å; M154-Y189 HydrophobicContact CE-CG 4.31Å; E181-Y189 HydrophobicContact CG-CD1 3.97Å; E181-Y189 HydrophobicContact CG-CE1 3.88Å; Y183-Y189 VanDerWaalsContact CA-OH 3.31Å; Y183-Y189 WeakPolarHBondContact CA-OH 3.23Å; Y183-Y189 HydrophobicContact CD2-CE2 4.15Å; Y183-Y189 HydrophobicContact CE2-CE2 4.4Å; H184-Y189 PolarHBondContact N-OH 3.5Å; H184-Y189 PolarHBondContact O-OH 3.48Å; H184-Y189 VanDerWaalsContact O-OH 3.07Å; Q187-Y189 HydrophobicContact CB-CE1 4.45Å; Q187-Y189 HydrophobicContact CB-CE2 4.14Å; Q187-Y189 HydrophobicContact CG-CD1 4.41Å; Q187-Y189 HydrophobicContact CG-CE1 3.92Å; Q187-Y189 HydrophobicContact CG-CE2 4.29Å; Q187-Y189 VanDerWaalsContact NE2-CE1 3.32Å; Q187-Y189 WeakPolarHBondContact O-CD2 3.28Å; Q187-Y189 WeakPolarHBondContact O-CE2 3.08Å; Y189-V191 PolarHBondContact O-N 3.1Å; Y189-Q208 PolarHBondContact N-O 3.4Å; Y189-Y210 VanDerWaalsContact CB-OH 3.28Å; Y189-Y210 WeakPolarHBondContact CB-OH 3.15Å; Y189-Y210 HydrophobicContact CD2-CE2 4.37Å; Y189-Y210 WeakPolarHBondContact CE2-O 3.07Å; Y189-Y210 HydrophobicContact CG-CE2 4.32Å
190	N	97.7	Very high	97.6	Very high	96 Å²	96	45.3 Å²	45.3	51%	0.513	22%	0.219	S	C	.	.			trans	-63.1	127.3	174.3	-170.4	-25.8	0	0	0	111.1	R192 Y210	N190-R192 VanDerWaalsContact C-N 3.33Å; N190-R192 VanDerWaalsContact OD1-CB 3.25Å; N190-R192 WeakPolarHBondContact OD1-CB 2.96Å; N190-R192 WeakPolarHBondContact OD1-CG 3.37Å; N190-R192 PolarHBondContact OD1-N 2.92Å; N190-Y210 PolarHBondContact O-OH 3.01Å
191	V	97.3	Very high	97.6	Very high	15 Å²	15	45.3 Å²	45.3	9%	0.091	22%	0.219	C	C	.	.	S	Bend	trans	-80.7	-10.2	179	-60.5	0	0	0	0	114.4	Y189 V193 L203 D206 Q208 Y210	Y189-V191 PolarHBondContact O-N 3.1Å; V191-V193 PolarHBondContact O-N 2.92Å; V191-L203 HydrophobicContact CB-CB 4.33Å; V191-L203 HydrophobicContact CB-CD2 4.09Å; V191-L203 HydrophobicContact CG1-CD2 4.24Å; V191-D206 WeakPolarHBondContact CG2-OD1 3.27Å; V191-Q208 HydrophobicContact CG1-CG 4Å; V191-Y210 HydrophobicContact CG1-CE1 4.26Å
192	R	96.9	Very high	97.6	Very high	218 Å²	218	44.6 Å²	44.6	82%	0.823	22%	0.215	S	C	*	.			trans	-81.2	47.5	179.8	-55.8	-178.5	-177.2	178.1	1.4	111.9	N190	N190-R192 VanDerWaalsContact C-N 3.33Å; N190-R192 VanDerWaalsContact OD1-CB 3.25Å; N190-R192 WeakPolarHBondContact OD1-CB 2.96Å; N190-R192 WeakPolarHBondContact OD1-CG 3.37Å; N190-R192 PolarHBondContact OD1-N 2.92Å
193	V	97.1	Very high	97.6	Very high	8 Å²	8	45 Å²	45	5%	0.048	22%	0.218	C	C	.	.			trans	-117.6	173.9	175.9	-62	0	0	0	0	110.3	R156 V191 K199 L203 L214	R156-V193 HydrophobicContact CB-CB 4.26Å; R156-V193 HydrophobicContact CB-CG2 4.18Å; V191-V193 PolarHBondContact O-N 2.92Å; V193-K199 PolarHBondContact O-NZ 3.4Å; V193-L203 HydrophobicContact CG2-CD1 3.8Å; V193-L203 HydrophobicContact CG2-CD2 4.1Å; V193-L214 HydrophobicContact CG2-CD2 4.29Å
194	A	95.6	Very high	97.6	Very high	14 Å²	14	45.5 Å²	45.5	12%	0.116	22%	0.221	C	C	.	.	S	Bend	trans	59.4	155.7	-174	0	0	0	0	0	115.9	R156 D157 K199 L203	R156-A194 VanDerWaalsContact O-CA 3.27Å; R156-A194 WeakPolarHBondContact O-CA 3.48Å; R156-A194 WeakPolarHBondContact O-CB 3.37Å; R156-A194 PolarHBondContact O-N 3.17Å; D157-A194 WeakPolarHBondContact OD1-CA 3.21Å; A194-K199 HydrophobicContact CB-CG 4.12Å; A194-L203 HydrophobicContact CB-CD1 4.15Å
195	S	95.8	Very high	97.5	Very high	39 Å²	39	44.4 Å²	44.4	27%	0.273	22%	0.216	S	C	.	.			trans	-77.9	142.9	170.8	-56.8	0	0	0	0	110.5	D157 K159 Y197 F198 K199	D157-S195 PolarHBondContact OD1-N 2.91Å; D157-S195 PolarHBondContact OD1-OG 3.45Å; D157-S195 VanDerWaalsContact OD1-OG 3.07Å; K159-S195 WeakPolarHBondContact CD-OG 3.28Å; K159-S195 PolarHBondContact NZ-OG 3.27Å; S195-Y197 VanDerWaalsContact C-N 3.33Å; S195-Y197 PolarHBondContact O-N 3.33Å; S195-Y197 VanDerWaalsContact O-N 3.08Å; S195-F198 PolarHBondContact O-N 3.44Å; S195-K199 PolarHBondContact O-N 2.88Å
196	R	98.1	Very high	97.5	Very high	90 Å²	90	47.4 Å²	47.4	34%	0.34	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-42.9	-52.2	-167.1	-174.1	-169	-61.2	142.6	-4.4	114.4	F198 K199 G236 Q237 Q242	R196-F198 PolarHBondContact O-N 2.91Å; R196-F198 VanDerWaalsContact O-N 3.16Å; R196-K199 WeakPolarHBondContact O-CB 3.4Å; R196-K199 PolarHBondContact O-N 3.46Å; R196-G236 WeakPolarHBondContact CD-O 3.48Å; R196-G236 PolarHBondContact NH1-O 3.46Å; R196-Q237 PolarHBondContact NH1-O 2.92Å; R196-Q237 VanDerWaalsContact NH1-O 3.08Å; R196-Q237 PolarHBondContact NH2-O 3.43Å; R196-Q237 VanDerWaalsContact NH2-O 3.16Å; R196-Q242 HydrophobicContact CG-CB 4.24Å; R196-Q242 HydrophobicContact CG-CG 4.3Å
197	Y	98.6	Very high	97.7	Very high	64 Å²	64	44.4 Å²	44.4	25%	0.251	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-68.3	-13.5	-173.3	-51	-41.9	0	0	0	114.7	S195 P232 F234 H235 G236	S195-Y197 VanDerWaalsContact C-N 3.33Å; S195-Y197 PolarHBondContact O-N 3.33Å; S195-Y197 VanDerWaalsContact O-N 3.08Å; Y197-P232 HydrophobicContact CD1-CB 4.25Å; Y197-P232 HydrophobicContact CD1-CG 3.94Å; Y197-P232 HydrophobicContact CD2-CB 3.61Å; Y197-P232 HydrophobicContact CD2-CG 3.53Å; Y197-P232 HydrophobicContact CE1-CG 4.14Å; Y197-P232 HydrophobicContact CE2-CB 4.31Å; Y197-P232 HydrophobicContact CE2-CG 3.72Å; Y197-P232 HydrophobicContact CG-CB 3.57Å; Y197-P232 HydrophobicContact CG-CG 3.64Å; Y197-F234 WeakPolarHBondContact CD1-O 3.12Å; Y197-H235 AromaticContact CE1-CD2 3.57Å; Y197-H235 AromaticContact CZ-CD2 3.61Å; Y197-H235 AromaticContact CZ-NE2 3.82Å; Y197-H235 PolarHBondContact OH-CD2 3.49Å; Y197-H235 PolarHBondContact OH-NE2 3.11Å; Y197-G236 WeakPolarHBondContact CE1-O 3.04Å
198	F	98.7	Very high	97.8	Very high	11 Å²	11	43.8 Å²	43.8	5%	0.048	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-113.9	4.4	-177.1	-56.5	-83.8	0	0	0	112.3	K159 P160 S195 R196 G200 S218 C221 M222	K159-F198 HydrophobicContact CB-CD1 4.31Å; K159-F198 HydrophobicContact CB-CD2 3.67Å; K159-F198 HydrophobicContact CB-CE1 4.36Å; K159-F198 HydrophobicContact CB-CE2 3.72Å; K159-F198 HydrophobicContact CB-CG 3.99Å; K159-F198 HydrophobicContact CB-CZ 4.09Å; P160-F198 HydrophobicContact CG-CE1 4.43Å; P160-F198 HydrophobicContact CG-CZ 4.02Å; S195-F198 PolarHBondContact O-N 3.44Å; R196-F198 PolarHBondContact O-N 2.91Å; R196-F198 VanDerWaalsContact O-N 3.16Å; F198-G200 PolarHBondContact O-N 2.94Å; F198-S218 PolarHBondContact O-OG 3.33Å; F198-C221 HydrophobicContact CD1-CB 3.81Å; F198-C221 HydrophobicContact CE1-CB 4.21Å; F198-M222 HydrophobicContact CD1-CG 4.11Å; F198-M222 HydrophobicContact CE1-CG 3.64Å
199	K	98.9	Very high	97.8	Very high	13 Å²	13	40.1 Å²	40.1	6%	0.057	19%	0.187	C	C	.	.			trans	-67.5	125.8	176.5	-72.8	177.7	173.6	-72.7	0	110.3	V193 A194 S195 R196 L203 L204 W217	V193-K199 PolarHBondContact O-NZ 3.4Å; A194-K199 HydrophobicContact CB-CG 4.12Å; S195-K199 PolarHBondContact O-N 2.88Å; R196-K199 WeakPolarHBondContact O-CB 3.4Å; R196-K199 PolarHBondContact O-N 3.46Å; K199-L203 HydrophobicContact CB-CB 4.38Å; K199-L203 HydrophobicContact CB-CD1 4.18Å; K199-L203 HydrophobicContact CG-CD1 4.07Å; K199-L204 HydrophobicContact CB-CD2 3.88Å; K199-L204 HydrophobicContact CB-CG 4.18Å; K199-L204 HydrophobicContact CD-CD2 3.71Å; K199-L204 HydrophobicContact CG-CD2 4.46Å; K199-W217 PolarHBondContact O-NE1 3.44Å
200	G	98.8	Very high	97.8	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.185	C	C	.	.			trans	-62.6	151.2	167.7	0	0	0	0	0	112	F198 E202 L203 L204	F198-G200 PolarHBondContact O-N 2.94Å; G200-E202 WeakPolarHBondContact CA-OE2 3.4Å; G200-E202 PolarHBondContact O-N 3.48Å; G200-L203 WeakPolarHBondContact O-CB 3.39Å; G200-L203 PolarHBondContact O-N 3.1Å; G200-L204 PolarHBondContact O-N 3.43Å
201	P	98.7	Very high	97.8	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-49.6	-39.4	175.8	-30.6	37.3	0	0	0	113.5	L203 L204 V205 W217 Y308	P201-L203 PolarHBondContact O-N 3.37Å; P201-L204 WeakPolarHBondContact O-CA 3.48Å; P201-L204 WeakPolarHBondContact O-CB 3.49Å; P201-L204 PolarHBondContact O-N 3.33Å; P201-V205 WeakPolarHBondContact O-CG2 3.47Å; P201-V205 PolarHBondContact O-N 3.11Å; P201-W217 HydrophobicContact CG-CD2 4.48Å; P201-W217 HydrophobicContact CG-CE3 4.2Å; P201-W217 HydrophobicContact CG-CH2 3.75Å; P201-W217 HydrophobicContact CG-CZ2 4.06Å; P201-W217 HydrophobicContact CG-CZ3 3.82Å; P201-Y308 HydrophobicContact CB-CD1 3.81Å; P201-Y308 HydrophobicContact CB-CE1 4.48Å; P201-Y308 HydrophobicContact CG-CD1 3.66Å; P201-Y308 HydrophobicContact CG-CE1 4.23Å
202	E	98.7	Very high	97.9	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-51.7	-38	174.9	59.8	-87.3	-150.3	0	0	112.9	G200 D206 Y207 Y210 L214 R313	G200-E202 WeakPolarHBondContact CA-OE2 3.4Å; G200-E202 PolarHBondContact O-N 3.48Å; E202-D206 PolarHBondContact O-N 3.16Å; E202-Y207 HydrophobicContact CB-CD1 4.28Å; E202-Y207 PolarHBondContact O-N 2.93Å; E202-Y210 HydrophobicContact CG-CG 4.43Å; E202-L214 HydrophobicContact CG-CD1 4.42Å; E202-L214 WeakPolarHBondContact OE1-CA 3.34Å; E202-L214 WeakPolarHBondContact OE1-CD1 3.43Å; E202-R313 IonicContact OE1-CZ 3.89Å; E202-R313 IonicContact OE1-NH1 3.64Å; E202-R313 PolarHBondContact OE1-NH1 2.81Å; E202-R313 IonicContact OE1-NH2 3.73Å; E202-R313 IonicContact OE2-CZ 3.78Å; E202-R313 IonicContact OE2-NH1 3.49Å; E202-R313 PolarHBondContact OE2-NH1 2.77Å; E202-R313 IonicContact OE2-NH2 2.73Å; E202-R313 PolarHBondContact OE2-NH2 3.39Å
203	L	98.6	Very high	98	Very high	10 Å²	10	25.2 Å²	25.2	5%	0.052	12%	0.124	C	C	.	.	H	α-helix	trans	-75.6	-28.2	177.7	-52.6	-172.9	0	0	0	112.7	V191 V193 A194 K199 G200 P201 Y210 L214	V191-L203 HydrophobicContact CB-CB 4.33Å; V191-L203 HydrophobicContact CB-CD2 4.09Å; V191-L203 HydrophobicContact CG1-CD2 4.24Å; V193-L203 HydrophobicContact CG2-CD1 3.8Å; V193-L203 HydrophobicContact CG2-CD2 4.1Å; A194-L203 HydrophobicContact CB-CD1 4.15Å; K199-L203 HydrophobicContact CB-CB 4.38Å; K199-L203 HydrophobicContact CB-CD1 4.18Å; K199-L203 HydrophobicContact CG-CD1 4.07Å; G200-L203 WeakPolarHBondContact O-CB 3.39Å; G200-L203 PolarHBondContact O-N 3.1Å; P201-L203 PolarHBondContact O-N 3.37Å; L203-Y210 HydrophobicContact CD2-CD1 3.9Å; L203-Y210 HydrophobicContact CD2-CE1 3.62Å; L203-Y210 HydrophobicContact CD2-CG 4.48Å; L203-L214 HydrophobicContact CD1-CD1 3.73Å; L203-L214 HydrophobicContact CD1-CD2 4.12Å; L203-L214 HydrophobicContact CD2-CD1 4.28Å; L203-L214 HydrophobicContact CD2-CD2 4.13Å; L203-L214 HydrophobicContact CG-CD1 3.83Å; L203-L214 HydrophobicContact CG-CD2 4.44Å
204	L	98.3	Very high	98.1	Very high	16 Å²	16	24.8 Å²	24.8	8%	0.084	12%	0.122	C	C	.	.	H	α-helix	trans	-84.6	-24.2	-176.4	-57.6	175.9	0	0	0	112.1	K199 G200 P201 N239 Q242 L243 I246	K199-L204 HydrophobicContact CB-CD2 3.88Å; K199-L204 HydrophobicContact CB-CG 4.18Å; K199-L204 HydrophobicContact CD-CD2 3.71Å; K199-L204 HydrophobicContact CG-CD2 4.46Å; G200-L204 PolarHBondContact O-N 3.43Å; P201-L204 WeakPolarHBondContact O-CA 3.48Å; P201-L204 WeakPolarHBondContact O-CB 3.49Å; P201-L204 PolarHBondContact O-N 3.33Å; L204-N239 HydrophobicContact CD2-CB 4.08Å; L204-Q242 HydrophobicContact CD1-CB 4.14Å; L204-Q242 HydrophobicContact CD1-CG 3.78Å; L204-Q242 HydrophobicContact CD2-CB 4.25Å; L204-Q242 HydrophobicContact CD2-CG 4.27Å; L204-L243 HydrophobicContact CB-CB 4.23Å; L204-L243 HydrophobicContact CB-CD1 4.34Å; L204-L243 HydrophobicContact CD1-CB 4.07Å; L204-L243 HydrophobicContact CD1-CD1 4.26Å; L204-I246 HydrophobicContact CD1-CD1 3.63Å
205	V	97.5	Very high	98.3	Very high	8 Å²	8	24.1 Å²	24.1	5%	0.048	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105	13.2	175.6	-52.5	0	0	0	0	113	P201 Y207 L243 Y258 L259 I264 L266	P201-V205 WeakPolarHBondContact O-CG2 3.47Å; P201-V205 PolarHBondContact O-N 3.11Å; V205-Y207 VanDerWaalsContact C-N 3.32Å; V205-Y207 PolarHBondContact O-N 3.07Å; V205-L243 HydrophobicContact CG1-CD1 4.35Å; V205-L243 HydrophobicContact CG1-CD2 3.61Å; V205-Y258 HydrophobicContact CG2-CE1 3.98Å; V205-L259 HydrophobicContact CB-CD2 4.02Å; V205-L259 HydrophobicContact CG1-CD2 4.06Å; V205-L259 HydrophobicContact CG2-CD2 4.02Å; V205-I264 HydrophobicContact CB-CG2 4.09Å; V205-I264 HydrophobicContact CG2-CD1 4.01Å; V205-I264 HydrophobicContact CG2-CG2 3.92Å; V205-I264 WeakPolarHBondContact O-CG2 3.27Å; V205-L266 HydrophobicContact CB-CD1 4.25Å; V205-L266 HydrophobicContact CG1-CD1 3.77Å
206	D	97	Very high	98.4	Very high	97 Å²	97	22.4 Å²	22.4	52%	0.519	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	34.6	177.4	-155.5	18.5	0	0	0	115.1	V191 E202 Q208	V191-D206 WeakPolarHBondContact CG2-OD1 3.27Å; E202-D206 PolarHBondContact O-N 3.16Å; D206-Q208 PolarHBondContact O-N 3.02Å; D206-Q208 PolarHBondContact OD1-NE2 3.19Å
207	Y	97.4	Very high	98.4	Very high	21 Å²	21	18.1 Å²	18.1	8%	0.082	9%	0.087	C	C	.	.			trans	-83.1	114.3	171.6	-173.2	-108.4	0	0	0	110.5	S8 E202 V205 M209 Y210 Y262 I264 H310	S8-Y207 WeakPolarHBondContact CB-OH 3.22Å; E202-Y207 HydrophobicContact CB-CD1 4.28Å; E202-Y207 PolarHBondContact O-N 2.93Å; V205-Y207 VanDerWaalsContact C-N 3.32Å; V205-Y207 PolarHBondContact O-N 3.07Å; Y207-M209 HydrophobicContact CE1-CB 4.07Å; Y207-M209 VanDerWaalsContact CE1-O 3.31Å; Y207-M209 WeakPolarHBondContact CE1-O 3.43Å; Y207-M209 HydrophobicContact CE2-CE 4.38Å; Y207-Y210 WeakPolarHBondContact O-CD1 3.29Å; Y207-Y262 HydrophobicContact CE2-CD1 4.35Å; Y207-Y262 HydrophobicContact CE2-CG 4.46Å; Y207-Y262 AromaticContact CZ-CD1 3.91Å; Y207-I264 HydrophobicContact CD2-CD1 3.72Å; Y207-I264 HydrophobicContact CD2-CG1 3.7Å; Y207-I264 HydrophobicContact CE2-CD1 4.5Å; Y207-I264 HydrophobicContact CE2-CG1 4.4Å; Y207-I264 HydrophobicContact CG-CD1 3.89Å; Y207-I264 HydrophobicContact CG-CG1 4.33Å; Y207-H310 AromaticContact CE1-CE1 3.54Å; Y207-H310 AromaticContact CE1-NE2 3.86Å
208	Q	97.8	Very high	98.5	Very high	65 Å²	65	15 Å²	15	30%	0.304	8%	0.075	S	C	.	.			trans	-93.5	-20.2	-167.4	-63.2	-174.5	-13.1	0	0	114.6	E188 Y189 V191 D206 Y210	E188-Q208 HydrophobicContact CB-CB 3.88Å; E188-Q208 HydrophobicContact CG-CB 4.07Å; Y189-Q208 PolarHBondContact N-O 3.4Å; V191-Q208 HydrophobicContact CG1-CG 4Å; D206-Q208 PolarHBondContact O-N 3.02Å; D206-Q208 PolarHBondContact OD1-NE2 3.19Å; Q208-Y210 PolarHBondContact O-N 3.02Å; Q208-Y210 VanDerWaalsContact O-N 3.09Å
209	M	97.5	Very high	98.5	Very high	49 Å²	49	14.6 Å²	14.6	24%	0.241	7%	0.073	C	C	.	.			trans	-87	50.5	178.5	-68.8	-175.7	-80.1	0	0	111.8	S8 E188 Y207	S8-M209 WeakPolarHBondContact CB-O 3.5Å; S8-M209 PolarHBondContact OG-O 3.39Å; E188-M209 HydrophobicContact CG-CG 3.91Å; Y207-M209 HydrophobicContact CE1-CB 4.07Å; Y207-M209 VanDerWaalsContact CE1-O 3.31Å; Y207-M209 WeakPolarHBondContact CE1-O 3.43Å; Y207-M209 HydrophobicContact CE2-CE 4.38Å
210	Y	98.4	Very high	98.5	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.071	C	C	.	.			trans	-87.5	169.7	176.1	64.8	-100.5	0	0	0	112	M154 R156 Y189 N190 V191 E202 L203 Y207 Q208 L214	M154-Y210 HydrophobicContact CE-CE2 4.45Å; M154-Y210 HydrophobicContact SD-CD2 4.21Å; M154-Y210 HydrophobicContact SD-CE2 4.27Å; R156-Y210 PolarHBondContact NH1-OH 3.39Å; Y189-Y210 VanDerWaalsContact CB-OH 3.28Å; Y189-Y210 WeakPolarHBondContact CB-OH 3.15Å; Y189-Y210 HydrophobicContact CD2-CE2 4.37Å; Y189-Y210 WeakPolarHBondContact CE2-O 3.07Å; Y189-Y210 HydrophobicContact CG-CE2 4.32Å; N190-Y210 PolarHBondContact O-OH 3.01Å; V191-Y210 HydrophobicContact CG1-CE1 4.26Å; E202-Y210 HydrophobicContact CG-CG 4.43Å; L203-Y210 HydrophobicContact CD2-CD1 3.9Å; L203-Y210 HydrophobicContact CD2-CE1 3.62Å; L203-Y210 HydrophobicContact CD2-CG 4.48Å; Y207-Y210 WeakPolarHBondContact O-CD1 3.29Å; Q208-Y210 PolarHBondContact O-N 3.02Å; Q208-Y210 VanDerWaalsContact O-N 3.09Å; Y210-L214 HydrophobicContact CD2-CB 4.32Å; Y210-L214 HydrophobicContact CD2-CD2 3.9Å; Y210-L214 HydrophobicContact CE2-CD2 3.68Å
211	D	98.9	Very high	98.5	Very high	7 Å²	7	14 Å²	14	4%	0.037	7%	0.071	C	C	.	.			trans	-142.5	-163.9	-175.7	63.1	60.2	0	0	0	112.5	A10 M154 Y183 S213 L214 H310 Q311	A10-D211 HydrophobicContact CB-CB 3.79Å; M154-D211 VanDerWaalsContact SD-CA 3.52Å; Y183-D211 HydrophobicContact CD2-CB 3.88Å; Y183-D211 HydrophobicContact CE2-CB 3.43Å; Y183-D211 VanDerWaalsContact CE2-CB 3.43Å; D211-S213 PolarHBondContact O-N 3.21Å; D211-S213 VanDerWaalsContact OD1-CB 3.3Å; D211-S213 WeakPolarHBondContact OD1-CB 3.48Å; D211-S213 PolarHBondContact OD1-N 2.68Å; D211-S213 PolarHBondContact OD1-OG 2.82Å; D211-L214 WeakPolarHBondContact O-CB 3.23Å; D211-L214 PolarHBondContact O-N 2.72Å; D211-H310 IonicContact OD2-CD2 2.76Å; D211-Q311 PolarHBondContact OD2-NE2 3.03Å
212	Y	98.9	Very high	98.5	Very high	6 Å²	6	14.2 Å²	14.2	2%	0.024	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50	-28.9	-179.9	-45.1	-67.2	0	0	0	114.4	A10 V12 Y13 H149 G152 M154 Y183 L214 D215	A10-Y212 HydrophobicContact CB-CD2 3.62Å; A10-Y212 HydrophobicContact CB-CE2 3.57Å; V12-Y212 VanDerWaalsContact O-CE2 3.28Å; V12-Y212 WeakPolarHBondContact O-CE2 3.49Å; Y13-Y212 PolarHBondContact O-OH 3.45Å; H149-Y212 HydrophobicContact CB-CD1 4.04Å; H149-Y212 HydrophobicContact CB-CG 4.16Å; H149-Y212 AromaticContact CD2-CD1 3.83Å; H149-Y212 PolarHBondContact CE1-O 3.15Å; H149-Y212 AromaticContact CG-CD1 3.97Å; G152-Y212 WeakPolarHBondContact CA-OH 3.48Å; M154-Y212 HydrophobicContact CG-CD1 3.51Å; M154-Y212 HydrophobicContact CG-CE1 4.01Å; M154-Y212 HydrophobicContact CG-CG 4.31Å; Y183-Y212 VanDerWaalsContact CB-CE1 3.49Å; Y183-Y212 VanDerWaalsContact CB-CZ 3.5Å; Y183-Y212 WeakPolarHBondContact CB-OH 3.43Å; Y183-Y212 HydrophobicContact CD1-CE1 4.46Å; Y183-Y212 AromaticContact CD1-CE2 3.87Å; Y183-Y212 HydrophobicContact CD1-CE2 3.87Å; Y183-Y212 AromaticContact CD1-CZ 3.62Å; Y183-Y212 VanDerWaalsContact CD1-OH 3.28Å; Y183-Y212 WeakPolarHBondContact CD1-OH 3.17Å; Y183-Y212 HydrophobicContact CE1-CE2 4.38Å; Y183-Y212 HydrophobicContact CG-CE1 4.04Å; Y183-Y212 HydrophobicContact CG-CE2 4.08Å; Y183-Y212 AromaticContact CG-CZ 3.64Å; Y212-L214 PolarHBondContact O-N 3.16Å; Y212-L214 VanDerWaalsContact O-N 3.1Å; Y212-D215 PolarHBondContact O-N 3.07Å
213	S	98.9	Very high	98.5	Very high	11 Å²	11	14.2 Å²	14.2	8%	0.077	7%	0.072	C	C	.	.	H	α-helix	trans	-61.3	-14.7	177	54.7	0	0	0	0	114.1	D211 D215 M216 W217 H310 R313	D211-S213 PolarHBondContact O-N 3.21Å; D211-S213 VanDerWaalsContact OD1-CB 3.3Å; D211-S213 WeakPolarHBondContact OD1-CB 3.48Å; D211-S213 PolarHBondContact OD1-N 2.68Å; D211-S213 PolarHBondContact OD1-OG 2.82Å; S213-D215 VanDerWaalsContact C-N 3.35Å; S213-M216 PolarHBondContact O-N 2.93Å; S213-W217 PolarHBondContact O-N 2.99Å; S213-H310 WeakPolarHBondContact CB-O 3.37Å; S213-H310 WeakPolarHBondContact OG-CB 3.4Å; S213-H310 PolarHBondContact OG-O 3.13Å; S213-R313 WeakPolarHBondContact O-CD 3.15Å; S213-R313 PolarHBondContact O-NH1 3.14Å
214	L	98.9	Very high	98.5	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-60.4	-44	168.4	174.5	62.2	0	0	0	111.7	R156 V193 E202 L203 Y210 D211 Y212 M216 W217 S218	R156-L214 HydrophobicContact CB-CD2 4.26Å; R156-L214 HydrophobicContact CG-CD2 4.16Å; V193-L214 HydrophobicContact CG2-CD2 4.29Å; E202-L214 HydrophobicContact CG-CD1 4.42Å; E202-L214 WeakPolarHBondContact OE1-CA 3.34Å; E202-L214 WeakPolarHBondContact OE1-CD1 3.43Å; L203-L214 HydrophobicContact CD1-CD1 3.73Å; L203-L214 HydrophobicContact CD1-CD2 4.12Å; L203-L214 HydrophobicContact CD2-CD1 4.28Å; L203-L214 HydrophobicContact CD2-CD2 4.13Å; L203-L214 HydrophobicContact CG-CD1 3.83Å; L203-L214 HydrophobicContact CG-CD2 4.44Å; Y210-L214 HydrophobicContact CD2-CB 4.32Å; Y210-L214 HydrophobicContact CD2-CD2 3.9Å; Y210-L214 HydrophobicContact CE2-CD2 3.68Å; D211-L214 WeakPolarHBondContact O-CB 3.23Å; D211-L214 PolarHBondContact O-N 2.72Å; Y212-L214 PolarHBondContact O-N 3.16Å; Y212-L214 VanDerWaalsContact O-N 3.1Å; L214-M216 PolarHBondContact O-N 3.14Å; L214-W217 WeakPolarHBondContact O-CB 3.5Å; L214-W217 PolarHBondContact O-N 2.82Å; L214-S218 PolarHBondContact O-N 2.91Å; L214-S218 PolarHBondContact O-OG 3.1Å
215	D	98.9	Very high	98.5	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-66	-32.5	-179.9	-66.9	-33.3	0	0	0	111	L145 H149 H155 R156 V158 Y212 S213 S218 L219	L145-D215 HydrophobicContact CD1-CB 4.46Å; L145-D215 HydrophobicContact CD2-CB 4.14Å; H149-D215 IonicContact CD2-OD2 3.49Å; H149-D215 IonicContact CE1-OD2 3.74Å; H149-D215 IonicContact NE2-OD2 2.63Å; H149-D215 PolarHBondContact NE2-OD2 2.85Å; H155-D215 PolarHBondContact N-OD2 3.44Å; R156-D215 WeakPolarHBondContact CA-OD1 3.46Å; R156-D215 PolarHBondContact N-OD1 3.27Å; V158-D215 HydrophobicContact CG2-CB 4Å; Y212-D215 PolarHBondContact O-N 3.07Å; S213-D215 VanDerWaalsContact C-N 3.35Å; D215-S218 PolarHBondContact O-N 2.86Å; D215-L219 WeakPolarHBondContact O-CB 3.38Å; D215-L219 PolarHBondContact O-N 2.82Å
216	M	98.9	Very high	98.5	Very high	2 Å²	2	13.2 Å²	13.2	1%	0.01	7%	0.067	C	C	.	.	H	α-helix	trans	-68.4	-34.5	178.2	-56.8	-53.6	-60	0	0	112.3	L142 L145 S213 L214 G220 L305 L314 A316 A319	L142-M216 HydrophobicContact CD2-CE 3.68Å; L142-M216 HydrophobicContact CD2-SD 4.48Å; L145-M216 HydrophobicContact CD1-SD 4.29Å; S213-M216 PolarHBondContact O-N 2.93Å; L214-M216 PolarHBondContact O-N 3.14Å; M216-G220 PolarHBondContact O-N 3.17Å; M216-L305 HydrophobicContact CB-CD2 4.28Å; M216-L305 HydrophobicContact CE-CD2 3.64Å; M216-L314 WeakPolarHBondContact CG-O 3.31Å; M216-A316 HydrophobicContact CE-CB 4.42Å; M216-A316 HydrophobicContact SD-CB 4.01Å; M216-A319 HydrophobicContact CE-CB 3.96Å
217	W	98.9	Very high	98.6	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-63.4	-49	170	173.3	-85.7	0	0	0	111.5	K199 P201 S213 L214 L219 G220 C221 F234 I246 L250 L306	K199-W217 PolarHBondContact O-NE1 3.44Å; P201-W217 HydrophobicContact CG-CD2 4.48Å; P201-W217 HydrophobicContact CG-CE3 4.2Å; P201-W217 HydrophobicContact CG-CH2 3.75Å; P201-W217 HydrophobicContact CG-CZ2 4.06Å; P201-W217 HydrophobicContact CG-CZ3 3.82Å; S213-W217 PolarHBondContact O-N 2.99Å; L214-W217 WeakPolarHBondContact O-CB 3.5Å; L214-W217 PolarHBondContact O-N 2.82Å; W217-L219 VanDerWaalsContact C-N 3.27Å; W217-L219 PolarHBondContact O-N 3.33Å; W217-G220 WeakPolarHBondContact O-CA 3.47Å; W217-G220 PolarHBondContact O-N 3.19Å; W217-C221 PolarHBondContact NE1-SG 3.03Å; W217-C221 VanDerWaalsContact NE1-SG 3.35Å; W217-C221 PolarHBondContact O-N 2.84Å; W217-F234 HydrophobicContact CH2-CE2 4.39Å; W217-F234 HydrophobicContact CZ2-CD2 4.41Å; W217-F234 HydrophobicContact CZ2-CE2 4.01Å; W217-I246 HydrophobicContact CH2-CD1 4.26Å; W217-I246 HydrophobicContact CH2-CG1 4.34Å; W217-I246 HydrophobicContact CH2-CG2 3.66Å; W217-I246 HydrophobicContact CZ2-CD1 3.58Å; W217-I246 HydrophobicContact CZ2-CG1 3.88Å; W217-I246 HydrophobicContact CZ2-CG2 4.08Å; W217-L250 HydrophobicContact CH2-CD1 3.68Å; W217-L250 HydrophobicContact CZ3-CD1 3.85Å; W217-L306 HydrophobicContact CD2-CD2 3.91Å; W217-L306 HydrophobicContact CE3-CD2 3.84Å; W217-L306 HydrophobicContact CH2-CD2 4.17Å; W217-L306 HydrophobicContact CZ2-CD2 4.22Å; W217-L306 HydrophobicContact CZ3-CB 4.2Å; W217-L306 HydrophobicContact CZ3-CD2 3.99Å
218	S	98.9	Very high	98.6	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-59.2	-40.1	178.8	-59.2	0	0	0	0	111.8	V158 F198 L214 D215 C221 M222	V158-S218 WeakPolarHBondContact O-CB 3.3Å; F198-S218 PolarHBondContact O-OG 3.33Å; L214-S218 PolarHBondContact O-N 2.91Å; L214-S218 PolarHBondContact O-OG 3.1Å; D215-S218 PolarHBondContact O-N 2.86Å; S218-C221 WeakPolarHBondContact O-CB 3.47Å; S218-C221 PolarHBondContact O-N 3.01Å; S218-M222 PolarHBondContact O-N 3.01Å; S218-M222 VanDerWaalsContact O-N 3.08Å
219	L	98.9	Very high	98.5	Very high	1 Å²	1	9 Å²	9	1%	0.005	5%	0.045	C	C	.	.	H	α-helix	trans	-61.9	-42.7	172.5	-178.2	146.6	0	0	0	111.9	M138 L141 L142 L145 D215 W217 C221 M222 L223 L305	M138-L219 HydrophobicContact CE-CD1 4.1Å; M138-L219 HydrophobicContact CE-CD2 3.26Å; M138-L219 HydrophobicContact CE-CG 3.41Å; M138-L219 VanDerWaalsContact CE-CG 3.41Å; L141-L219 HydrophobicContact CD2-CD1 4.09Å; L141-L219 HydrophobicContact CG-CD1 4.21Å; L142-L219 HydrophobicContact CD2-CD1 3.57Å; L142-L219 HydrophobicContact CD2-CD2 4.37Å; L142-L219 HydrophobicContact CG-CD1 3.89Å; L145-L219 HydrophobicContact CD1-CB 4.39Å; L145-L219 HydrophobicContact CD1-CD1 3.51Å; D215-L219 WeakPolarHBondContact O-CB 3.38Å; D215-L219 PolarHBondContact O-N 2.82Å; W217-L219 VanDerWaalsContact C-N 3.27Å; W217-L219 PolarHBondContact O-N 3.33Å; L219-C221 PolarHBondContact O-N 3.27Å; L219-M222 WeakPolarHBondContact O-CB 3.48Å; L219-M222 PolarHBondContact O-N 3.08Å; L219-M222 VanDerWaalsContact O-N 3.17Å; L219-L223 PolarHBondContact O-N 3.13Å; L219-L305 HydrophobicContact CD2-CD1 3.54Å; L219-L305 HydrophobicContact CD2-CD2 4.17Å
220	G	98.9	Very high	98.4	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-59.4	-41	172.4	0	0	0	0	0	113.2	M216 W217 M222 L223 A224 L302	M216-G220 PolarHBondContact O-N 3.17Å; W217-G220 WeakPolarHBondContact O-CA 3.47Å; W217-G220 PolarHBondContact O-N 3.19Å; G220-M222 VanDerWaalsContact C-N 3.31Å; G220-M222 PolarHBondContact O-N 2.97Å; G220-L223 PolarHBondContact O-N 2.93Å; G220-A224 WeakPolarHBondContact O-CB 3.4Å; G220-A224 PolarHBondContact O-N 3.38Å; G220-L302 WeakPolarHBondContact O-CD1 3.36Å
221	C	98.9	Very high	98.2	Very high	2 Å²	2	15.3 Å²	15.3	1%	0.014	7%	0.072	C	C	.	.	H	α-helix	trans	-63.2	-36.7	174.5	-67	0	0	0	0	112.5	F198 W217 S218 L219 S225	F198-C221 HydrophobicContact CD1-CB 3.81Å; F198-C221 HydrophobicContact CE1-CB 4.21Å; W217-C221 PolarHBondContact NE1-SG 3.03Å; W217-C221 VanDerWaalsContact NE1-SG 3.35Å; W217-C221 PolarHBondContact O-N 2.84Å; S218-C221 WeakPolarHBondContact O-CB 3.47Å; S218-C221 PolarHBondContact O-N 3.01Å; L219-C221 PolarHBondContact O-N 3.27Å; C221-S225 WeakPolarHBondContact O-CB 3.37Å; C221-S225 PolarHBondContact O-N 3.26Å; C221-S225 VanDerWaalsContact O-N 3.11Å; C221-S225 PolarHBondContact O-OG 2.87Å
222	M	98.6	Very high	98.1	Very high	3 Å²	3	15.7 Å²	15.7	2%	0.015	8%	0.075	C	C	.	.	H	α-helix	trans	-65.7	-49.4	173.7	-69.8	178.2	60.7	0	0	111	Y126 L141 V158 P160 V163 F198 S218 L219 G220 A224 S225 M226	Y126-M222 VanDerWaalsContact OH-CE 3.3Å; Y126-M222 WeakPolarHBondContact OH-CE 3.36Å; L141-M222 HydrophobicContact CD2-CE 4.11Å; L141-M222 HydrophobicContact CD2-SD 4.26Å; V158-M222 HydrophobicContact CG1-SD 3.83Å; P160-M222 HydrophobicContact CG-CE 4.23Å; P160-M222 HydrophobicContact CG-CG 4.23Å; V163-M222 HydrophobicContact CG2-CE 3.96Å; F198-M222 HydrophobicContact CD1-CG 4.11Å; F198-M222 HydrophobicContact CE1-CG 3.64Å; S218-M222 PolarHBondContact O-N 3.01Å; S218-M222 VanDerWaalsContact O-N 3.08Å; L219-M222 WeakPolarHBondContact O-CB 3.48Å; L219-M222 PolarHBondContact O-N 3.08Å; L219-M222 VanDerWaalsContact O-N 3.17Å; G220-M222 VanDerWaalsContact C-N 3.31Å; G220-M222 PolarHBondContact O-N 2.97Å; M222-A224 PolarHBondContact O-N 3.49Å; M222-S225 PolarHBondContact O-N 3.31Å; M222-S225 VanDerWaalsContact O-N 3.11Å; M222-M226 HydrophobicContact CB-CE 4.3Å; M222-M226 PolarHBondContact O-N 2.8Å
223	L	98.8	Very high	98.1	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-55.4	-50.3	177.7	-177.9	61.4	0	0	0	111.3	I134 M138 L219 G220 S225 M226 I227 L301 L302 L305 Y324	I134-L223 HydrophobicContact CG2-CD1 4Å; M138-L223 HydrophobicContact CE-CB 3.75Å; M138-L223 HydrophobicContact CE-CD1 4.26Å; M138-L223 HydrophobicContact CE-CG 4.43Å; M138-L223 HydrophobicContact CG-CD1 4.18Å; L219-L223 PolarHBondContact O-N 3.13Å; G220-L223 PolarHBondContact O-N 2.93Å; L223-S225 VanDerWaalsContact C-N 3.28Å; L223-S225 PolarHBondContact O-N 3.26Å; L223-M226 PolarHBondContact O-N 2.74Å; L223-M226 VanDerWaalsContact O-N 3.16Å; L223-I227 HydrophobicContact CD1-CG2 3.78Å; L223-I227 HydrophobicContact CG-CG2 4.4Å; L223-I227 WeakPolarHBondContact O-CG1 3.39Å; L223-I227 PolarHBondContact O-N 2.96Å; L223-L301 HydrophobicContact CD2-CD2 3.81Å; L223-L301 HydrophobicContact CD2-CG 3.98Å; L223-L302 HydrophobicContact CB-CD1 4.21Å; L223-L302 HydrophobicContact CD2-CB 4.21Å; L223-L302 HydrophobicContact CD2-CD1 4.17Å; L223-L302 HydrophobicContact CG-CD1 4.3Å; L223-L305 HydrophobicContact CD2-CD1 4.15Å; L223-Y324 HydrophobicContact CD1-CE1 4.24Å
224	A	98.8	Very high	98	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-57.1	-42.4	177.2	0	0	0	0	0	112.1	G220 M222 M226 F228 F233 L302 L306	G220-A224 WeakPolarHBondContact O-CB 3.4Å; G220-A224 PolarHBondContact O-N 3.38Å; M222-A224 PolarHBondContact O-N 3.49Å; A224-M226 VanDerWaalsContact C-N 3.33Å; A224-M226 PolarHBondContact O-N 3.1Å; A224-F228 HydrophobicContact CB-CD2 4.21Å; A224-F228 HydrophobicContact CB-CE2 4.44Å; A224-F228 VanDerWaalsContact O-CB 3.31Å; A224-F228 WeakPolarHBondContact O-CB 3.45Å; A224-F228 VanDerWaalsContact O-CD2 3.23Å; A224-F228 WeakPolarHBondContact O-CD2 3.28Å; A224-F228 PolarHBondContact O-N 3.11Å; A224-F228 VanDerWaalsContact O-N 3.1Å; A224-F233 HydrophobicContact CB-CB 3.93Å; A224-F233 HydrophobicContact CB-CD1 3.83Å; A224-F233 HydrophobicContact CB-CD2 3.82Å; A224-F233 HydrophobicContact CB-CE1 4.32Å; A224-F233 HydrophobicContact CB-CE2 4.32Å; A224-F233 HydrophobicContact CB-CG 3.57Å; A224-L302 HydrophobicContact CB-CD1 3.86Å; A224-L302 HydrophobicContact CB-CD2 3.91Å; A224-L306 HydrophobicContact CB-CD1 4.43Å
225	S	97.9	Very high	98	Very high	4 Å²	4	20.2 Å²	20.2	3%	0.028	10%	0.095	C	C	.	.	H	α-helix	trans	-65.1	-38.6	179.9	-55.1	0	0	0	0	111.8	C221 M222 L223 Q229 K230 F233	C221-S225 WeakPolarHBondContact O-CB 3.37Å; C221-S225 PolarHBondContact O-N 3.26Å; C221-S225 VanDerWaalsContact O-N 3.11Å; C221-S225 PolarHBondContact O-OG 2.87Å; M222-S225 PolarHBondContact O-N 3.31Å; M222-S225 VanDerWaalsContact O-N 3.11Å; L223-S225 VanDerWaalsContact C-N 3.28Å; L223-S225 PolarHBondContact O-N 3.26Å; S225-Q229 CarbonylContact O-C 3.59Å; S225-Q229 VanDerWaalsContact O-CA 3.28Å; S225-Q229 WeakPolarHBondContact O-CA 3.38Å; S225-Q229 PolarHBondContact O-N 3.11Å; S225-Q229 VanDerWaalsContact O-N 3.13Å; S225-K230 VanDerWaalsContact CA-O 3.31Å; S225-K230 WeakPolarHBondContact CA-O 3.36Å; S225-K230 WeakPolarHBondContact CB-O 3.31Å; S225-K230 PolarHBondContact O-N 3.38Å; S225-K230 PolarHBondContact OG-O 2.93Å; S225-F233 PolarHBondContact OG-N 3.41Å
226	M	98.1	Very high	98	Very high	10 Å²	10	20.2 Å²	20.2	5%	0.049	10%	0.095	C	C	.	.	H	α-helix	trans	-71.4	-54.2	178.6	-70.5	-177.6	-71.7	0	0	112.1	Y126 L129 I134 M138 M222 L223 A224 F228 Q229	Y126-M226 HydrophobicContact CD1-CG 4.47Å; Y126-M226 HydrophobicContact CD1-SD 4.38Å; Y126-M226 HydrophobicContact CD2-CG 3.63Å; Y126-M226 HydrophobicContact CD2-SD 4.42Å; Y126-M226 HydrophobicContact CE1-CG 4.38Å; Y126-M226 HydrophobicContact CE1-SD 3.94Å; Y126-M226 HydrophobicContact CE2-CG 3.49Å; Y126-M226 VanDerWaalsContact CE2-CG 3.49Å; Y126-M226 HydrophobicContact CE2-SD 3.96Å; Y126-M226 HydrophobicContact CG-CG 4.11Å; L129-M226 HydrophobicContact CD1-SD 4.15Å; I134-M226 HydrophobicContact CD1-CB 3.99Å; I134-M226 HydrophobicContact CG1-CB 4.26Å; I134-M226 HydrophobicContact CG2-CB 4.25Å; I134-M226 HydrophobicContact CG2-CE 4.24Å; I134-M226 HydrophobicContact CG2-SD 4.36Å; M138-M226 HydrophobicContact CG-CE 3.75Å; M138-M226 HydrophobicContact SD-CE 3.2Å; M138-M226 WeakPolarHBondContact SD-CE 3.44Å; M222-M226 HydrophobicContact CB-CE 4.3Å; M222-M226 PolarHBondContact O-N 2.8Å; L223-M226 PolarHBondContact O-N 2.74Å; L223-M226 VanDerWaalsContact O-N 3.16Å; A224-M226 VanDerWaalsContact C-N 3.33Å; A224-M226 PolarHBondContact O-N 3.1Å; M226-F228 VanDerWaalsContact C-N 3.34Å; M226-F228 PolarHBondContact O-N 2.77Å; M226-Q229 PolarHBondContact O-N 3.44Å
227	I	98.4	Very high	97.9	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-70.5	-30.2	-173.9	71.2	178.5	0	0	0	112.8	I134 L223 V294 A298 L299 L302	I134-I227 HydrophobicContact CD1-CG2 4.4Å; I134-I227 HydrophobicContact CG2-CG2 4.21Å; L223-I227 HydrophobicContact CD1-CG2 3.78Å; L223-I227 HydrophobicContact CG-CG2 4.4Å; L223-I227 WeakPolarHBondContact O-CG1 3.39Å; L223-I227 PolarHBondContact O-N 2.96Å; I227-V294 HydrophobicContact CB-CG2 4.35Å; I227-V294 WeakPolarHBondContact O-CG2 3.29Å; I227-A298 HydrophobicContact CD1-CB 4.26Å; I227-L299 HydrophobicContact CD1-CD2 4.27Å; I227-L302 HydrophobicContact CD1-CD2 4.12Å
228	F	98.1	Very high	97.8	Very high	8 Å²	8	30.9 Å²	30.9	4%	0.035	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-0	176	-59.7	-53.5	0	0	0	113.3	A224 M226 K230 F233 W282 F285 V286 N290 V294 L299 L302	A224-F228 HydrophobicContact CB-CD2 4.21Å; A224-F228 HydrophobicContact CB-CE2 4.44Å; A224-F228 VanDerWaalsContact O-CB 3.31Å; A224-F228 WeakPolarHBondContact O-CB 3.45Å; A224-F228 VanDerWaalsContact O-CD2 3.23Å; A224-F228 WeakPolarHBondContact O-CD2 3.28Å; A224-F228 PolarHBondContact O-N 3.11Å; A224-F228 VanDerWaalsContact O-N 3.1Å; M226-F228 VanDerWaalsContact C-N 3.34Å; M226-F228 PolarHBondContact O-N 2.77Å; F228-K230 HydrophobicContact CB-CB 4.39Å; F228-K230 PolarHBondContact O-N 3.17Å; F228-F233 HydrophobicContact CB-CE2 4.39Å; F228-F233 AromaticContact CD2-CD2 3.85Å; F228-F233 HydrophobicContact CD2-CD2 3.85Å; F228-F233 AromaticContact CD2-CE2 3.33Å; F228-F233 HydrophobicContact CD2-CE2 3.33Å; F228-F233 HydrophobicContact CD2-CZ 4.08Å; F228-F233 AromaticContact CE2-CE2 3.89Å; F228-F233 HydrophobicContact CE2-CE2 3.89Å; F228-F233 HydrophobicContact CE2-CZ 4.18Å; F228-F233 HydrophobicContact CG-CE2 4.16Å; F228-W282 HydrophobicContact CE2-CE3 4.01Å; F228-W282 HydrophobicContact CE2-CZ3 4.49Å; F228-W282 HydrophobicContact CZ-CB 4.32Å; F228-W282 HydrophobicContact CZ-CE3 4.22Å; F228-F285 HydrophobicContact CD1-CB 3.64Å; F228-F285 HydrophobicContact CD2-CB 4.15Å; F228-F285 HydrophobicContact CE1-CB 3.71Å; F228-F285 HydrophobicContact CE2-CB 4.18Å; F228-F285 HydrophobicContact CG-CB 3.88Å; F228-F285 HydrophobicContact CZ-CB 3.98Å; F228-V286 HydrophobicContact CE1-CG2 4.26Å; F228-N290 WeakPolarHBondContact CA-ND2 3.4Å; F228-N290 PolarHBondContact O-ND2 2.99Å; F228-V294 HydrophobicContact CD1-CG2 4.12Å; F228-V294 HydrophobicContact CE1-CG2 4.09Å; F228-L299 HydrophobicContact CE1-CD2 4.01Å; F228-L299 HydrophobicContact CZ-CD2 3.69Å; F228-L302 HydrophobicContact CE2-CD2 3.59Å; F228-L302 HydrophobicContact CZ-CD2 4.16Å
229	Q	96.1	Very high	97.7	Very high	87 Å²	87	34.4 Å²	34.4	41%	0.407	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.7	42.5	-174.1	-63.3	-172.7	-28.4	0	0	113	S225 M226 N290 L293	S225-Q229 CarbonylContact O-C 3.59Å; S225-Q229 VanDerWaalsContact O-CA 3.28Å; S225-Q229 WeakPolarHBondContact O-CA 3.38Å; S225-Q229 PolarHBondContact O-N 3.11Å; S225-Q229 VanDerWaalsContact O-N 3.13Å; M226-Q229 PolarHBondContact O-N 3.44Å; Q229-N290 HydrophobicContact CB-CB 4.43Å; Q229-N290 HydrophobicContact CG-CB 4.24Å; Q229-L293 HydrophobicContact CG-CD1 3.81Å
230	K	95.4	Very high	97.6	Very high	94 Å²	94	37.3 Å²	37.3	41%	0.409	18%	0.177	S	C	.	.			trans	-127.3	100.2	-176.1	-177.8	-175.9	173.8	-169.9	0	110.3	S225 F228 P232 F233	S225-K230 VanDerWaalsContact CA-O 3.31Å; S225-K230 WeakPolarHBondContact CA-O 3.36Å; S225-K230 WeakPolarHBondContact CB-O 3.31Å; S225-K230 PolarHBondContact O-N 3.38Å; S225-K230 PolarHBondContact OG-O 2.93Å; F228-K230 HydrophobicContact CB-CB 4.39Å; F228-K230 PolarHBondContact O-N 3.17Å; K230-P232 CarbonylContact O-C 3.57Å; K230-F233 HydrophobicContact CB-CD2 4.42Å; K230-F233 HydrophobicContact CD-CD2 4.04Å; K230-F233 HydrophobicContact CD-CE2 4.37Å; K230-F233 WeakPolarHBondContact CE-O 3.27Å; K230-F233 PolarHBondContact NZ-O 3.28Å; K230-F233 WeakPolarHBondContact O-CA 3.32Å; K230-F233 PolarHBondContact O-N 3Å
231	E	93.2	Very high	97.5	Very high	86 Å²	86	38.6 Å²	38.6	40%	0.402	18%	0.184	S	C	.	.	S	Bend	trans	-115.2	122.3	-175.7	-172.7	168.4	-150.7	0	0	113.1	F122	F122-E231 WeakPolarHBondContact CE2-OE1 3.43Å
232	P	96.9	Very high	97.5	Very high	16 Å²	16	38.5 Å²	38.5	10%	0.104	18%	0.184	C	C	.	.	S	Bend	cis	-72.9	153.5	-13.5	33.3	-37.3	0	0	0	112	Y197 K230 H235	Y197-P232 HydrophobicContact CD1-CB 4.25Å; Y197-P232 HydrophobicContact CD1-CG 3.94Å; Y197-P232 HydrophobicContact CD2-CB 3.61Å; Y197-P232 HydrophobicContact CD2-CG 3.53Å; Y197-P232 HydrophobicContact CE1-CG 4.14Å; Y197-P232 HydrophobicContact CE2-CB 4.31Å; Y197-P232 HydrophobicContact CE2-CG 3.72Å; Y197-P232 HydrophobicContact CG-CB 3.57Å; Y197-P232 HydrophobicContact CG-CG 3.64Å; K230-P232 CarbonylContact O-C 3.57Å; P232-H235 HydrophobicContact CG-CB 3.82Å
233	F	98.4	Very high	97.5	Very high	4 Å²	4	38.4 Å²	38.4	2%	0.018	18%	0.183	C	C	.	.	S	Bend	trans	-63.3	-50.5	178.4	-173.4	-102.8	0	0	0	112.8	A224 S225 F228 K230 W282 F285	A224-F233 HydrophobicContact CB-CB 3.93Å; A224-F233 HydrophobicContact CB-CD1 3.83Å; A224-F233 HydrophobicContact CB-CD2 3.82Å; A224-F233 HydrophobicContact CB-CE1 4.32Å; A224-F233 HydrophobicContact CB-CE2 4.32Å; A224-F233 HydrophobicContact CB-CG 3.57Å; S225-F233 PolarHBondContact OG-N 3.41Å; F228-F233 HydrophobicContact CB-CE2 4.39Å; F228-F233 AromaticContact CD2-CD2 3.85Å; F228-F233 HydrophobicContact CD2-CD2 3.85Å; F228-F233 AromaticContact CD2-CE2 3.33Å; F228-F233 HydrophobicContact CD2-CE2 3.33Å; F228-F233 HydrophobicContact CD2-CZ 4.08Å; F228-F233 AromaticContact CE2-CE2 3.89Å; F228-F233 HydrophobicContact CE2-CE2 3.89Å; F228-F233 HydrophobicContact CE2-CZ 4.18Å; F228-F233 HydrophobicContact CG-CE2 4.16Å; K230-F233 HydrophobicContact CB-CD2 4.42Å; K230-F233 HydrophobicContact CD-CD2 4.04Å; K230-F233 HydrophobicContact CD-CE2 4.37Å; K230-F233 WeakPolarHBondContact CE-O 3.27Å; K230-F233 PolarHBondContact NZ-O 3.28Å; K230-F233 WeakPolarHBondContact O-CA 3.32Å; K230-F233 PolarHBondContact O-N 3Å; F233-W282 AromaticContact CE1-CZ3 3.83Å; F233-W282 HydrophobicContact CE1-CZ3 3.83Å; F233-W282 HydrophobicContact CZ-CE3 4.42Å; F233-W282 AromaticContact CZ-CZ3 3.77Å; F233-W282 HydrophobicContact CZ-CZ3 3.77Å; F233-F285 HydrophobicContact CE2-CD1 4.11Å; F233-F285 HydrophobicContact CE2-CE1 4.47Å; F233-F285 HydrophobicContact CE2-CG 4.19Å; F233-F285 HydrophobicContact CZ-CD1 4.12Å; F233-F285 HydrophobicContact CZ-CD2 4.17Å; F233-F285 HydrophobicContact CZ-CE1 4.1Å; F233-F285 HydrophobicContact CZ-CE2 4.17Å; F233-F285 HydrophobicContact CZ-CG 4.16Å; F233-F285 HydrophobicContact CZ-CZ 4.13Å
234	F	98.8	Very high	97.5	Very high	3 Å²	3	38.7 Å²	38.7	1%	0.013	19%	0.185	C	C	.	.	S	Bend	trans	-100.2	99.5	172.5	-62.3	-63.6	0	0	0	110.3	Y197 W217 G236 Q242 R245 I246 V249 L306	Y197-F234 WeakPolarHBondContact CD1-O 3.12Å; W217-F234 HydrophobicContact CH2-CE2 4.39Å; W217-F234 HydrophobicContact CZ2-CD2 4.41Å; W217-F234 HydrophobicContact CZ2-CE2 4.01Å; F234-G236 PolarHBondContact O-N 3.21Å; F234-Q242 PolarHBondContact O-NE2 3.25Å; F234-Q242 PolarHBondContact O-OE1 3.36Å; F234-R245 HydrophobicContact CB-CB 4.39Å; F234-R245 HydrophobicContact CD1-CB 4.41Å; F234-I246 HydrophobicContact CB-CG1 4.4Å; F234-I246 HydrophobicContact CD1-CG1 3.97Å; F234-I246 HydrophobicContact CD2-CG1 4.07Å; F234-I246 HydrophobicContact CE1-CB 4.45Å; F234-I246 HydrophobicContact CE1-CG1 4.2Å; F234-I246 HydrophobicContact CE2-CG1 4.3Å; F234-I246 HydrophobicContact CG-CG1 3.9Å; F234-I246 HydrophobicContact CZ-CG1 4.36Å; F234-V249 HydrophobicContact CD1-CG2 4.44Å; F234-V249 HydrophobicContact CE1-CB 3.87Å; F234-V249 HydrophobicContact CE1-CG1 4.39Å; F234-V249 HydrophobicContact CE1-CG2 3.74Å; F234-V249 HydrophobicContact CZ-CB 4.5Å; F234-L306 HydrophobicContact CE2-CD1 3.95Å; F234-L306 HydrophobicContact CE2-CD2 4.41Å; F234-L306 HydrophobicContact CZ-CD1 4.2Å
235	H	98.4	Very high	97.5	Very high	105 Å²	105	42.7 Å²	42.7	49%	0.486	20%	0.2	S	C	.	.			trans	-101.6	77.4	-172.8	-160.5	168.1	0	0	0	112.3	Y197 P232	Y197-H235 AromaticContact CE1-CD2 3.57Å; Y197-H235 AromaticContact CZ-CD2 3.61Å; Y197-H235 AromaticContact CZ-NE2 3.82Å; Y197-H235 PolarHBondContact OH-CD2 3.49Å; Y197-H235 PolarHBondContact OH-NE2 3.11Å; P232-H235 HydrophobicContact CG-CB 3.82Å
236	G	98.1	Very high	97.5	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.198	C	C	.	.			trans	-82.4	139.7	175.6	0	0	0	0	0	113.6	R196 Y197 F234 D238 D241 Q242	R196-G236 WeakPolarHBondContact CD-O 3.48Å; R196-G236 PolarHBondContact NH1-O 3.46Å; Y197-G236 WeakPolarHBondContact CE1-O 3.04Å; F234-G236 PolarHBondContact O-N 3.21Å; G236-D238 VanDerWaalsContact C-N 3.34Å; G236-D241 WeakPolarHBondContact CA-OD2 3.38Å; G236-Q242 VanDerWaalsContact CA-OE1 3.29Å
237	Q	97.2	Very high	97.5	Very high	151 Å²	151	42 Å²	42	71%	0.706	20%	0.196	S	C	*	.	S	Bend	trans	-69	-33.3	176.7	-64.6	-178	-1.7	0	0	112.8	R196 D241	R196-Q237 PolarHBondContact NH1-O 2.92Å; R196-Q237 VanDerWaalsContact NH1-O 3.08Å; R196-Q237 PolarHBondContact NH2-O 3.43Å; R196-Q237 VanDerWaalsContact NH2-O 3.16Å; Q237-D241 HydrophobicContact CB-CB 4.37Å; Q237-D241 PolarHBondContact N-OD2 3.36Å
238	D	97.1	Very high	97.5	Very high	75 Å²	75	45.5 Å²	45.5	40%	0.401	21%	0.211	S	C	.	.	S	Bend	trans	-145	-171.6	173.7	60.4	40.5	0	0	0	110	G236 Y240 D241 Q242	G236-D238 VanDerWaalsContact C-N 3.34Å; D238-Y240 VanDerWaalsContact C-N 3.31Å; D238-Y240 PolarHBondContact O-N 3.16Å; D238-Y240 WeakPolarHBondContact OD1-CA 3.44Å; D238-Y240 WeakPolarHBondContact OD1-CB 3Å; D238-Y240 PolarHBondContact OD1-N 3.39Å; D238-D241 PolarHBondContact OD1-N 3.22Å; D238-Q242 VanDerWaalsContact O-CB 3.29Å; D238-Q242 WeakPolarHBondContact O-CB 3.22Å; D238-Q242 PolarHBondContact O-N 2.86Å
239	N	97.3	Very high	97.5	Very high	74 Å²	74	45.7 Å²	45.7	40%	0.396	21%	0.213	S	C	.	.	H	α-helix	trans	-69.1	-27.4	-179.8	-68.8	-11.6	0	0	0	113.1	L204	L204-N239 HydrophobicContact CD2-CB 4.08Å
240	Y	96.3	Very high	97.6	Very high	61 Å²	61	41.6 Å²	41.6	24%	0.239	19%	0.194	C	C	.	.	H	α-helix	trans	-73.2	-51.7	177.2	-70	-86.6	0	0	0	109.8	D238 Q242 L243 V244 D267 R269 F270	D238-Y240 VanDerWaalsContact C-N 3.31Å; D238-Y240 PolarHBondContact O-N 3.16Å; D238-Y240 WeakPolarHBondContact OD1-CA 3.44Å; D238-Y240 WeakPolarHBondContact OD1-CB 3Å; D238-Y240 PolarHBondContact OD1-N 3.39Å; Y240-Q242 PolarHBondContact O-N 3.25Å; Y240-L243 PolarHBondContact O-N 3.16Å; Y240-L243 VanDerWaalsContact O-N 3.16Å; Y240-V244 PolarHBondContact O-N 3.28Å; Y240-D267 HydrophobicContact CE1-CB 4.27Å; Y240-D267 PolarHBondContact OH-OD2 2.98Å; Y240-R269 HydrophobicContact CD1-CB 4.12Å; Y240-R269 HydrophobicContact CE1-CB 3.98Å; Y240-R269 PolarHBondContact OH-NE 3.37Å; Y240-R269 PolarHBondContact OH-NH1 3.19Å; Y240-R269 PolarHBondContact OH-NH2 3Å; Y240-F270 HydrophobicContact CD1-CD1 4.14Å; Y240-F270 HydrophobicContact CD1-CD2 4.17Å; Y240-F270 AromaticContact CD1-CE1 3.61Å; Y240-F270 HydrophobicContact CD1-CE1 3.61Å; Y240-F270 AromaticContact CD1-CE2 3.68Å; Y240-F270 HydrophobicContact CD1-CE2 3.68Å; Y240-F270 HydrophobicContact CD1-CG 4.39Å; Y240-F270 AromaticContact CD1-CZ 3.38Å; Y240-F270 HydrophobicContact CD1-CZ 3.38Å; Y240-F270 HydrophobicContact CE1-CD2 4.2Å; Y240-F270 HydrophobicContact CE1-CE1 4.42Å; Y240-F270 AromaticContact CE1-CE2 3.65Å; Y240-F270 HydrophobicContact CE1-CE2 3.65Å; Y240-F270 AromaticContact CE1-CZ 3.78Å; Y240-F270 HydrophobicContact CE1-CZ 3.78Å; Y240-F270 HydrophobicContact CG-CE1 4.28Å; Y240-F270 HydrophobicContact CG-CZ 4.19Å
241	D	97.4	Very high	97.7	Very high	28 Å²	28	37.2 Å²	37.2	15%	0.15	18%	0.175	C	C	.	.	H	α-helix	trans	-62	-30.6	176	-172.7	50.2	0	0	0	111.3	G236 Q237 D238 L243 V244 R245	G236-D241 WeakPolarHBondContact CA-OD2 3.38Å; Q237-D241 HydrophobicContact CB-CB 4.37Å; Q237-D241 PolarHBondContact N-OD2 3.36Å; D238-D241 PolarHBondContact OD1-N 3.22Å; D241-L243 VanDerWaalsContact C-N 3.35Å; D241-L243 PolarHBondContact O-N 2.93Å; D241-V244 CarbonylContact O-C 3.55Å; D241-V244 WeakPolarHBondContact O-CA 3.44Å; D241-V244 WeakPolarHBondContact O-CB 3.33Å; D241-V244 PolarHBondContact O-N 2.86Å; D241-V244 VanDerWaalsContact O-N 3.11Å; D241-R245 WeakPolarHBondContact O-CG 3.25Å; D241-R245 PolarHBondContact O-N 2.83Å; D241-R245 IonicContact OD1-CZ 3.21Å; D241-R245 IonicContact OD1-NE 3.67Å; D241-R245 PolarHBondContact OD1-NE 2.99Å; D241-R245 IonicContact OD1-NH2 3.51Å; D241-R245 PolarHBondContact OD1-NH2 3.32Å; D241-R245 IonicContact OD2-CZ 3.59Å; D241-R245 IonicContact OD2-NE 2.99Å; D241-R245 PolarHBondContact OD2-NE 3.26Å; D241-R245 IonicContact OD2-NH2 3.32Å; D241-R245 PolarHBondContact OD2-NH2 2.77Å
242	Q	98.7	Very high	97.9	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-56.7	-45.8	174.7	-171.9	65.7	26.2	0	0	112.3	R196 L204 F234 G236 D238 Y240 V244 R245 I246	R196-Q242 HydrophobicContact CG-CB 4.24Å; R196-Q242 HydrophobicContact CG-CG 4.3Å; L204-Q242 HydrophobicContact CD1-CB 4.14Å; L204-Q242 HydrophobicContact CD1-CG 3.78Å; L204-Q242 HydrophobicContact CD2-CB 4.25Å; L204-Q242 HydrophobicContact CD2-CG 4.27Å; F234-Q242 PolarHBondContact O-NE2 3.25Å; F234-Q242 PolarHBondContact O-OE1 3.36Å; G236-Q242 VanDerWaalsContact CA-OE1 3.29Å; D238-Q242 VanDerWaalsContact O-CB 3.29Å; D238-Q242 WeakPolarHBondContact O-CB 3.22Å; D238-Q242 PolarHBondContact O-N 2.86Å; Y240-Q242 PolarHBondContact O-N 3.25Å; Q242-V244 VanDerWaalsContact C-N 3.31Å; Q242-V244 PolarHBondContact O-N 2.99Å; Q242-R245 PolarHBondContact O-N 3.08Å; Q242-I246 HydrophobicContact CG-CD1 4.46Å; Q242-I246 WeakPolarHBondContact O-CG1 3.48Å; Q242-I246 PolarHBondContact O-N 2.75Å; Q242-I246 VanDerWaalsContact O-N 3.16Å
243	L	98.4	Very high	97.9	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-66.4	-36.7	176.8	-173.8	63.5	0	0	0	111.1	L204 V205 Y240 D241 R245 I246 A247 L255 L266 F270 L274	L204-L243 HydrophobicContact CB-CB 4.23Å; L204-L243 HydrophobicContact CB-CD1 4.34Å; L204-L243 HydrophobicContact CD1-CB 4.07Å; L204-L243 HydrophobicContact CD1-CD1 4.26Å; V205-L243 HydrophobicContact CG1-CD1 4.35Å; V205-L243 HydrophobicContact CG1-CD2 3.61Å; Y240-L243 PolarHBondContact O-N 3.16Å; Y240-L243 VanDerWaalsContact O-N 3.16Å; D241-L243 VanDerWaalsContact C-N 3.35Å; D241-L243 PolarHBondContact O-N 2.93Å; L243-R245 VanDerWaalsContact C-N 3.34Å; L243-R245 PolarHBondContact O-N 3.01Å; L243-I246 PolarHBondContact O-N 3.44Å; L243-A247 WeakPolarHBondContact O-CB 3.38Å; L243-A247 PolarHBondContact O-N 3.16Å; L243-L255 HydrophobicContact CD1-CD1 4.29Å; L243-L255 HydrophobicContact CD1-CD2 4.4Å; L243-L255 HydrophobicContact CD2-CD2 4.34Å; L243-L255 HydrophobicContact CG-CD2 4.35Å; L243-L266 HydrophobicContact CD2-CD1 4.27Å; L243-F270 HydrophobicContact CB-CE1 3.73Å; L243-F270 HydrophobicContact CB-CZ 4.16Å; L243-F270 HydrophobicContact CD2-CD1 3.92Å; L243-F270 HydrophobicContact CD2-CE1 3.52Å; L243-F270 HydrophobicContact CD2-CE2 4.15Å; L243-F270 HydrophobicContact CD2-CG 4.4Å; L243-F270 HydrophobicContact CD2-CZ 3.64Å; L243-F270 HydrophobicContact CG-CE1 4.18Å; L243-L274 HydrophobicContact CG-CD2 4.32Å
244	V	97.9	Very high	97.8	Very high	6 Å²	6	40.8 Å²	40.8	4%	0.036	19%	0.194	C	C	.	.	H	α-helix	trans	-61.2	-42	174.4	178.4	0	0	0	0	111.2	Y240 D241 Q242 I246 A247 K248 L273 L274	Y240-V244 PolarHBondContact O-N 3.28Å; D241-V244 CarbonylContact O-C 3.55Å; D241-V244 WeakPolarHBondContact O-CA 3.44Å; D241-V244 WeakPolarHBondContact O-CB 3.33Å; D241-V244 PolarHBondContact O-N 2.86Å; D241-V244 VanDerWaalsContact O-N 3.11Å; Q242-V244 VanDerWaalsContact C-N 3.31Å; Q242-V244 PolarHBondContact O-N 2.99Å; V244-I246 VanDerWaalsContact C-N 3.3Å; V244-I246 PolarHBondContact O-N 3.11Å; V244-A247 PolarHBondContact O-N 3.2Å; V244-K248 HydrophobicContact CG1-CD 4.25Å; V244-K248 WeakPolarHBondContact O-CG 3.33Å; V244-K248 PolarHBondContact O-N 2.91Å; V244-L273 HydrophobicContact CG2-CB 3.77Å; V244-L274 HydrophobicContact CG2-CD2 4.15Å
245	R	98.4	Very high	97.7	Very high	84 Å²	84	40.7 Å²	40.7	32%	0.317	19%	0.194	S	C	.	.	H	α-helix	trans	-62.8	-37.9	176	-61.3	-46.8	169.7	164.4	-6.4	112.2	F234 D241 Q242 L243	F234-R245 HydrophobicContact CB-CB 4.39Å; F234-R245 HydrophobicContact CD1-CB 4.41Å; D241-R245 WeakPolarHBondContact O-CG 3.25Å; D241-R245 PolarHBondContact O-N 2.83Å; D241-R245 IonicContact OD1-CZ 3.21Å; D241-R245 IonicContact OD1-NE 3.67Å; D241-R245 PolarHBondContact OD1-NE 2.99Å; D241-R245 IonicContact OD1-NH2 3.51Å; D241-R245 PolarHBondContact OD1-NH2 3.32Å; D241-R245 IonicContact OD2-CZ 3.59Å; D241-R245 IonicContact OD2-NE 2.99Å; D241-R245 PolarHBondContact OD2-NE 3.26Å; D241-R245 IonicContact OD2-NH2 3.32Å; D241-R245 PolarHBondContact OD2-NH2 2.77Å; Q242-R245 PolarHBondContact O-N 3.08Å; L243-R245 VanDerWaalsContact C-N 3.34Å; L243-R245 PolarHBondContact O-N 3.01Å
246	I	98.7	Very high	97.7	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-66.3	-48.3	175	-65.2	163.5	0	0	0	110.2	L204 W217 F234 Q242 L243 V244 K248 V249 L250 Y308	L204-I246 HydrophobicContact CD1-CD1 3.63Å; W217-I246 HydrophobicContact CH2-CD1 4.26Å; W217-I246 HydrophobicContact CH2-CG1 4.34Å; W217-I246 HydrophobicContact CH2-CG2 3.66Å; W217-I246 HydrophobicContact CZ2-CD1 3.58Å; W217-I246 HydrophobicContact CZ2-CG1 3.88Å; W217-I246 HydrophobicContact CZ2-CG2 4.08Å; F234-I246 HydrophobicContact CB-CG1 4.4Å; F234-I246 HydrophobicContact CD1-CG1 3.97Å; F234-I246 HydrophobicContact CD2-CG1 4.07Å; F234-I246 HydrophobicContact CE1-CB 4.45Å; F234-I246 HydrophobicContact CE1-CG1 4.2Å; F234-I246 HydrophobicContact CE2-CG1 4.3Å; F234-I246 HydrophobicContact CG-CG1 3.9Å; F234-I246 HydrophobicContact CZ-CG1 4.36Å; Q242-I246 HydrophobicContact CG-CD1 4.46Å; Q242-I246 WeakPolarHBondContact O-CG1 3.48Å; Q242-I246 PolarHBondContact O-N 2.75Å; Q242-I246 VanDerWaalsContact O-N 3.16Å; L243-I246 PolarHBondContact O-N 3.44Å; V244-I246 VanDerWaalsContact C-N 3.3Å; V244-I246 PolarHBondContact O-N 3.11Å; I246-K248 VanDerWaalsContact C-N 3.29Å; I246-K248 PolarHBondContact O-N 3.33Å; I246-V249 PolarHBondContact O-N 3.04Å; I246-L250 HydrophobicContact CG2-CD1 3.81Å; I246-L250 HydrophobicContact CG2-CG 4.2Å; I246-L250 PolarHBondContact O-N 3Å; I246-Y308 HydrophobicContact CG2-CD1 4.5Å; I246-Y308 HydrophobicContact CG2-CE1 3.6Å
247	A	98.2	Very high	97.6	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-60.2	-34.5	179.1	0	0	0	0	0	114	L243 V244 V249 G251 T252 L255 L274 Q277 Y308	L243-A247 WeakPolarHBondContact O-CB 3.38Å; L243-A247 PolarHBondContact O-N 3.16Å; V244-A247 PolarHBondContact O-N 3.2Å; A247-V249 PolarHBondContact O-N 2.89Å; A247-V249 VanDerWaalsContact O-N 3.15Å; A247-G251 CarbonylContact O-C 3.59Å; A247-G251 WeakPolarHBondContact O-CA 3.39Å; A247-G251 PolarHBondContact O-N 3.42Å; A247-T252 HydrophobicContact CB-CG2 4.06Å; A247-L255 HydrophobicContact CB-CD2 4.46Å; A247-L274 HydrophobicContact CB-CD2 3.77Å; A247-Q277 VanDerWaalsContact O-CB 3.28Å; A247-Q277 WeakPolarHBondContact O-CB 3.21Å; A247-Y308 WeakPolarHBondContact CA-OH 3.23Å
248	K	97.9	Very high	97.7	Very high	74 Å²	74	33.6 Å²	33.6	32%	0.322	17%	0.167	S	C	.	.	H	α-helix	trans	-65.1	-11.8	173.2	-76.9	176.1	176.8	176.7	0	114.4	V244 I246 Q277 K280	V244-K248 HydrophobicContact CG1-CD 4.25Å; V244-K248 WeakPolarHBondContact O-CG 3.33Å; V244-K248 PolarHBondContact O-N 2.91Å; I246-K248 VanDerWaalsContact C-N 3.29Å; I246-K248 PolarHBondContact O-N 3.33Å; K248-Q277 HydrophobicContact CG-CG 4.18Å; K248-K280 VanDerWaalsContact O-CD 3.24Å; K248-K280 WeakPolarHBondContact O-CD 3.36Å; K248-K280 WeakPolarHBondContact O-CE 3.37Å
249	V	98.6	Very high	97.6	Very high	11 Å²	11	30.5 Å²	30.5	7%	0.067	15%	0.151	C	C	.	.	H	α-helix	trans	-113.3	-52	178	-178.4	0	0	0	0	111	F234 I246 A247 G251 K280 W282 F285	F234-V249 HydrophobicContact CD1-CG2 4.44Å; F234-V249 HydrophobicContact CE1-CB 3.87Å; F234-V249 HydrophobicContact CE1-CG1 4.39Å; F234-V249 HydrophobicContact CE1-CG2 3.74Å; F234-V249 HydrophobicContact CZ-CB 4.5Å; I246-V249 PolarHBondContact O-N 3.04Å; A247-V249 PolarHBondContact O-N 2.89Å; A247-V249 VanDerWaalsContact O-N 3.15Å; V249-G251 VanDerWaalsContact C-N 3.3Å; V249-G251 PolarHBondContact O-N 3.13Å; V249-K280 PolarHBondContact O-N 3.39Å; V249-W282 HydrophobicContact CG1-CE3 4.45Å; V249-W282 HydrophobicContact CG1-CH2 3.85Å; V249-W282 HydrophobicContact CG1-CZ3 3.68Å; V249-F285 HydrophobicContact CB-CZ 4.44Å; V249-F285 HydrophobicContact CG1-CE2 3.88Å; V249-F285 HydrophobicContact CG1-CZ 3.83Å; V249-F285 HydrophobicContact CG2-CZ 3.83Å
250	L	98.6	Very high	97.6	Very high	1 Å²	1	35 Å²	35	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-84.5	-5.5	-176.6	-58.9	-173.1	0	0	0	113.4	W217 I246 W282 L306 Y308	W217-L250 HydrophobicContact CH2-CD1 3.68Å; W217-L250 HydrophobicContact CZ3-CD1 3.85Å; I246-L250 HydrophobicContact CG2-CD1 3.81Å; I246-L250 HydrophobicContact CG2-CG 4.2Å; I246-L250 PolarHBondContact O-N 3Å; L250-W282 HydrophobicContact CD2-CH2 3.95Å; L250-W282 HydrophobicContact CD2-CZ2 3.86Å; L250-L306 WeakPolarHBondContact CD1-O 3.33Å; L250-Y308 HydrophobicContact CB-CD2 4.22Å; L250-Y308 HydrophobicContact CB-CE2 3.37Å; L250-Y308 HydrophobicContact CD1-CD2 4.35Å; L250-Y308 HydrophobicContact CD1-CE1 4.46Å; L250-Y308 HydrophobicContact CD1-CE2 4.14Å; L250-Y308 HydrophobicContact CG-CE2 4.42Å
251	G	98	Very high	97.6	Very high	2 Å²	2	37.2 Å²	37.2	2%	0.021	17%	0.173	C	C	.	.			trans	80.2	159.9	-178.2	0	0	0	0	0	113.3	A247 V249 Q277 Y308	A247-G251 CarbonylContact O-C 3.59Å; A247-G251 WeakPolarHBondContact O-CA 3.39Å; A247-G251 PolarHBondContact O-N 3.42Å; V249-G251 VanDerWaalsContact C-N 3.3Å; V249-G251 PolarHBondContact O-N 3.13Å; G251-Q277 CarbonylContact C-O 3.59Å; G251-Q277 WeakPolarHBondContact CA-O 3.1Å; G251-Y308 WeakPolarHBondContact O-CE2 3.27Å; G251-Y308 PolarHBondContact O-OH 2.77Å
252	T	96.9	Very high	97.6	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.006	17%	0.171	C	C	.	.	H	α-helix	trans	-87.6	-26.9	-179.9	46.6	0	0	0	0	113	A247 E254 L255 F256 L274 G275 Q277	A247-T252 HydrophobicContact CB-CG2 4.06Å; T252-E254 PolarHBondContact O-N 2.97Å; T252-L255 WeakPolarHBondContact O-CB 3.39Å; T252-L255 PolarHBondContact O-N 3.34Å; T252-F256 WeakPolarHBondContact O-CD2 3.47Å; T252-F256 WeakPolarHBondContact O-CG 3.22Å; T252-F256 PolarHBondContact O-N 2.84Å; T252-L274 HydrophobicContact CG2-CB 4.35Å; T252-G275 WeakPolarHBondContact CG2-O 3.36Å; T252-Q277 HydrophobicContact CG2-CB 4Å; T252-Q277 HydrophobicContact CG2-CG 4.02Å; T252-Q277 PolarHBondContact N-O 2.98Å; T252-Q277 PolarHBondContact OG1-N 3.26Å; T252-Q277 PolarHBondContact OG1-O 2.98Å
253	D	96.9	Very high	97.4	Very high	109 Å²	109	43.5 Å²	43.5	58%	0.583	20%	0.2	S	C	*	.	H	α-helix	trans	-64.5	-42.8	-178.5	-66.6	-14	0	0	0	111.7	F256 G257	D253-F256 PolarHBondContact O-N 3.35Å; D253-G257 PolarHBondContact O-N 3.17Å
254	E	96.1	Very high	97.2	Very high	72 Å²	72	44.6 Å²	44.6	34%	0.336	21%	0.206	S	C	.	.	H	α-helix	trans	-66.8	-38.9	174.7	-69.4	-175.7	-151.9	0	0	112.3	T252 G257 Y258 R279 Y308	T252-E254 PolarHBondContact O-N 2.97Å; E254-G257 PolarHBondContact O-N 3.17Å; E254-Y258 PolarHBondContact O-N 3.47Å; E254-R279 WeakPolarHBondContact OE1-CD 3.39Å; E254-R279 IonicContact OE1-CZ 3.53Å; E254-R279 IonicContact OE1-NE 3.98Å; E254-R279 IonicContact OE1-NH1 3.41Å; E254-R279 PolarHBondContact OE1-NH1 2.83Å; E254-R279 IonicContact OE2-CZ 3.69Å; E254-R279 IonicContact OE2-NH1 3.59Å; E254-R279 PolarHBondContact OE2-NH1 3.48Å; E254-Y308 HydrophobicContact CB-CD2 3.69Å; E254-Y308 HydrophobicContact CB-CE2 3.88Å
255	L	97.5	Very high	97	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-59.3	-50.5	174.4	174.5	59	0	0	0	110.5	L243 A247 T252 G257 Y258 L259 L274 Y308	L243-L255 HydrophobicContact CD1-CD1 4.29Å; L243-L255 HydrophobicContact CD1-CD2 4.4Å; L243-L255 HydrophobicContact CD2-CD2 4.34Å; L243-L255 HydrophobicContact CG-CD2 4.35Å; A247-L255 HydrophobicContact CB-CD2 4.46Å; T252-L255 WeakPolarHBondContact O-CB 3.39Å; T252-L255 PolarHBondContact O-N 3.34Å; L255-G257 VanDerWaalsContact C-N 3.29Å; L255-G257 PolarHBondContact O-N 2.88Å; L255-Y258 HydrophobicContact CD1-CD1 4.49Å; L255-Y258 WeakPolarHBondContact O-CB 3.29Å; L255-Y258 PolarHBondContact O-N 3.23Å; L255-L259 HydrophobicContact CD1-CD1 4.25Å; L255-L259 HydrophobicContact CD1-CG 4.23Å; L255-L259 HydrophobicContact CG-CD1 4.15Å; L255-L259 VanDerWaalsContact O-CG 3.3Å; L255-L259 WeakPolarHBondContact O-CG 3.41Å; L255-L259 PolarHBondContact O-N 3.42Å; L255-L274 HydrophobicContact CD2-CD1 3.82Å; L255-L274 HydrophobicContact CD2-CD2 4.07Å; L255-Y308 HydrophobicContact CB-CD1 4.35Å; L255-Y308 HydrophobicContact CB-CD2 4.37Å; L255-Y308 HydrophobicContact CB-CE1 3.94Å; L255-Y308 HydrophobicContact CB-CE2 3.92Å; L255-Y308 HydrophobicContact CD1-CD1 3.84Å; L255-Y308 HydrophobicContact CD1-CE1 3.79Å; L255-Y308 HydrophobicContact CG-CE1 4.3Å
256	F	96.9	Very high	96.7	Very high	75 Å²	75	51.1 Å²	51.1	33%	0.329	24%	0.24	S	C	.	.	H	α-helix	trans	-66.6	-31.3	178.6	-66.6	-55.5	0	0	0	112.5	T252 D253 L259 R260 L266 L274	T252-F256 WeakPolarHBondContact O-CD2 3.47Å; T252-F256 WeakPolarHBondContact O-CG 3.22Å; T252-F256 PolarHBondContact O-N 2.84Å; D253-F256 PolarHBondContact O-N 3.35Å; F256-L259 HydrophobicContact CD1-CD1 3.98Å; F256-L259 HydrophobicContact CE1-CD1 4.45Å; F256-R260 WeakPolarHBondContact O-CB 3.12Å; F256-R260 WeakPolarHBondContact O-CG 3.34Å; F256-R260 PolarHBondContact O-N 3.45Å; F256-L266 HydrophobicContact CE1-CD2 4.34Å; F256-L274 HydrophobicContact CZ-CD1 4.42Å
257	G	97.5	Very high	96.3	Very high	27 Å²	27	53.3 Å²	53.3	28%	0.278	25%	0.252	S	S	.	.	H	α-helix	trans	-60.3	-47.5	169.6	0	0	0	0	0	112.4	D253 E254 L255 R260 K261	D253-G257 PolarHBondContact O-N 3.17Å; E254-G257 PolarHBondContact O-N 3.17Å; L255-G257 VanDerWaalsContact C-N 3.29Å; L255-G257 PolarHBondContact O-N 2.88Å; G257-R260 PolarHBondContact O-N 2.62Å; G257-K261 WeakPolarHBondContact O-CB 3.34Å; G257-K261 PolarHBondContact O-N 2.63Å
258	Y	97.7	Very high	95.9	Very high	6 Å²	6	57.6 Å²	57.6	2%	0.024	28%	0.28	C	S	.	.	H	α-helix	trans	-59.4	-49.7	174.9	168.2	-111.3	0	0	0	112.1	V205 E254 L255 R260 K261 Y262 I264 D309 H310	V205-Y258 HydrophobicContact CG2-CE1 3.98Å; E254-Y258 PolarHBondContact O-N 3.47Å; L255-Y258 HydrophobicContact CD1-CD1 4.49Å; L255-Y258 WeakPolarHBondContact O-CB 3.29Å; L255-Y258 PolarHBondContact O-N 3.23Å; Y258-R260 VanDerWaalsContact C-N 3.33Å; Y258-R260 PolarHBondContact O-N 3.19Å; Y258-K261 PolarHBondContact O-N 2.88Å; Y258-Y262 AromaticContact CD2-CD2 3.41Å; Y258-Y262 HydrophobicContact CD2-CD2 3.41Å; Y258-Y262 VanDerWaalsContact CD2-CD2 3.41Å; Y258-Y262 AromaticContact CD2-CE2 3.47Å; Y258-Y262 HydrophobicContact CD2-CE2 3.47Å; Y258-Y262 VanDerWaalsContact CD2-CE2 3.47Å; Y258-Y262 AromaticContact CE2-CD2 3.26Å; Y258-Y262 HydrophobicContact CE2-CD2 3.26Å; Y258-Y262 AromaticContact CE2-CE2 3.35Å; Y258-Y262 HydrophobicContact CE2-CE2 3.35Å; Y258-Y262 HydrophobicContact CE2-CG 4.28Å; Y258-Y262 HydrophobicContact CG-CD2 4.41Å; Y258-Y262 WeakPolarHBondContact O-CD2 3.38Å; Y258-Y262 PolarHBondContact O-N 2.83Å; Y258-I264 HydrophobicContact CD1-CD1 4.39Å; Y258-I264 HydrophobicContact CE1-CD1 3.7Å; Y258-D309 VanDerWaalsContact CD2-CA 3.49Å; Y258-D309 HydrophobicContact CD2-CB 3.97Å; Y258-H310 AromaticContact CE2-ND1 3.6Å
259	L	96.4	Very high	95.5	Very high	10 Å²	10	60.9 Å²	60.9	5%	0.052	29%	0.29	C	S	.	.	H	α-helix	trans	-59.1	-42.8	178.9	-64.8	172.1	0	0	0	112.1	V205 L255 F256 H263 I264 L266	V205-L259 HydrophobicContact CB-CD2 4.02Å; V205-L259 HydrophobicContact CG1-CD2 4.06Å; V205-L259 HydrophobicContact CG2-CD2 4.02Å; L255-L259 HydrophobicContact CD1-CD1 4.25Å; L255-L259 HydrophobicContact CD1-CG 4.23Å; L255-L259 HydrophobicContact CG-CD1 4.15Å; L255-L259 VanDerWaalsContact O-CG 3.3Å; L255-L259 WeakPolarHBondContact O-CG 3.41Å; L255-L259 PolarHBondContact O-N 3.42Å; F256-L259 HydrophobicContact CD1-CD1 3.98Å; F256-L259 HydrophobicContact CE1-CD1 4.45Å; L259-H263 WeakPolarHBondContact O-CA 3.31Å; L259-H263 PolarHBondContact O-N 2.69Å; L259-I264 HydrophobicContact CB-CB 4.5Å; L259-I264 HydrophobicContact CD2-CB 3.67Å; L259-I264 HydrophobicContact CD2-CD1 4.18Å; L259-I264 HydrophobicContact CD2-CG2 3.62Å; L259-I264 PolarHBondContact O-N 2.87Å; L259-L266 HydrophobicContact CD1-CB 4.11Å; L259-L266 HydrophobicContact CD1-CD1 4.14Å; L259-L266 HydrophobicContact CD1-CD2 3.95Å; L259-L266 HydrophobicContact CD1-CG 4.3Å; L259-L266 HydrophobicContact CD2-CD1 4.44Å
260	R	96.8	Very high	95	Very high	169 Å²	169	60.5 Å²	60.5	64%	0.638	29%	0.288	S	S	*	.	H	α-helix	trans	-64.1	-44.1	175.5	-75.8	-171.1	-59.9	-92.5	0.5	112.3	F256 G257 Y258 Y262 H263	F256-R260 WeakPolarHBondContact O-CB 3.12Å; F256-R260 WeakPolarHBondContact O-CG 3.34Å; F256-R260 PolarHBondContact O-N 3.45Å; G257-R260 PolarHBondContact O-N 2.62Å; Y258-R260 VanDerWaalsContact C-N 3.33Å; Y258-R260 PolarHBondContact O-N 3.19Å; R260-Y262 VanDerWaalsContact C-N 3.28Å; R260-Y262 PolarHBondContact O-N 3.01Å; R260-H263 PolarHBondContact O-N 2.89Å
261	K	96.7	Very high	94	Very high	106 Å²	106	68.5 Å²	68.5	46%	0.461	32%	0.323	S	S	.	.	H	α-helix	trans	-58	-40.9	-178.9	176.3	177.8	171.1	-177.8	0	112.2	G257 Y258 D309	G257-K261 WeakPolarHBondContact O-CB 3.34Å; G257-K261 PolarHBondContact O-N 2.63Å; Y258-K261 PolarHBondContact O-N 2.88Å; K261-D309 WeakPolarHBondContact CD-OD2 3.5Å; K261-D309 IonicContact NZ-OD1 3.85Å; K261-D309 IonicContact NZ-OD2 3.55Å; K261-D309 PolarHBondContact NZ-OD2 3.43Å
262	Y	96	Very high	93.2	Very high	27 Å²	27	75.7 Å²	75.7	11%	0.106	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	8	-177.4	-65.9	-78.6	0	0	0	113.8	Y207 Y258 R260 I264 D309 H310 Q311	Y207-Y262 HydrophobicContact CE2-CD1 4.35Å; Y207-Y262 HydrophobicContact CE2-CG 4.46Å; Y207-Y262 AromaticContact CZ-CD1 3.91Å; Y258-Y262 AromaticContact CD2-CD2 3.41Å; Y258-Y262 HydrophobicContact CD2-CD2 3.41Å; Y258-Y262 VanDerWaalsContact CD2-CD2 3.41Å; Y258-Y262 AromaticContact CD2-CE2 3.47Å; Y258-Y262 HydrophobicContact CD2-CE2 3.47Å; Y258-Y262 VanDerWaalsContact CD2-CE2 3.47Å; Y258-Y262 AromaticContact CE2-CD2 3.26Å; Y258-Y262 HydrophobicContact CE2-CD2 3.26Å; Y258-Y262 AromaticContact CE2-CE2 3.35Å; Y258-Y262 HydrophobicContact CE2-CE2 3.35Å; Y258-Y262 HydrophobicContact CE2-CG 4.28Å; Y258-Y262 HydrophobicContact CG-CD2 4.41Å; Y258-Y262 WeakPolarHBondContact O-CD2 3.38Å; Y258-Y262 PolarHBondContact O-N 2.83Å; R260-Y262 VanDerWaalsContact C-N 3.28Å; R260-Y262 PolarHBondContact O-N 3.01Å; Y262-I264 VanDerWaalsContact C-N 3.25Å; Y262-I264 PolarHBondContact O-N 2.69Å; Y262-D309 VanDerWaalsContact CE2-OD1 3.3Å; Y262-D309 WeakPolarHBondContact CE2-OD1 3.38Å; Y262-D309 PolarHBondContact OH-OD1 2.75Å; Y262-H310 AromaticContact CE1-CE1 3.8Å; Y262-H310 AromaticContact CE2-CE1 3.96Å; Y262-H310 AromaticContact CZ-CE1 3.59Å; Y262-Q311 WeakPolarHBondContact OH-CB 3.4Å; Y262-Q311 WeakPolarHBondContact OH-CG 3.27Å
263	H	95	Very high	92.7	Very high	133 Å²	133	79.8 Å²	79.8	62%	0.616	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	42.5	-177.9	-57.4	-81.7	0	0	0	113.3	V5 L259 R260	V5-H263 WeakPolarHBondContact CG2-CD2 3.39Å; L259-H263 WeakPolarHBondContact O-CA 3.31Å; L259-H263 PolarHBondContact O-N 2.69Å; R260-H263 PolarHBondContact O-N 2.89Å
264	I	95	Very high	92.3	Very high	24 Å²	24	74.8 Å²	74.8	12%	0.123	36%	0.355	C	S	.	.			trans	-85.1	122	-178.6	-60.1	164.6	0	0	0	109.2	V205 Y207 Y258 L259 Y262 L266	V205-I264 HydrophobicContact CB-CG2 4.09Å; V205-I264 HydrophobicContact CG2-CD1 4.01Å; V205-I264 HydrophobicContact CG2-CG2 3.92Å; V205-I264 WeakPolarHBondContact O-CG2 3.27Å; Y207-I264 HydrophobicContact CD2-CD1 3.72Å; Y207-I264 HydrophobicContact CD2-CG1 3.7Å; Y207-I264 HydrophobicContact CE2-CD1 4.5Å; Y207-I264 HydrophobicContact CE2-CG1 4.4Å; Y207-I264 HydrophobicContact CG-CD1 3.89Å; Y207-I264 HydrophobicContact CG-CG1 4.33Å; Y258-I264 HydrophobicContact CD1-CD1 4.39Å; Y258-I264 HydrophobicContact CE1-CD1 3.7Å; L259-I264 HydrophobicContact CB-CB 4.5Å; L259-I264 HydrophobicContact CD2-CB 3.67Å; L259-I264 HydrophobicContact CD2-CD1 4.18Å; L259-I264 HydrophobicContact CD2-CG2 3.62Å; L259-I264 PolarHBondContact O-N 2.87Å; Y262-I264 VanDerWaalsContact C-N 3.25Å; Y262-I264 PolarHBondContact O-N 2.69Å; I264-L266 PolarHBondContact O-N 2.98Å
265	E	92.3	Very high	91.9	Very high	185 Å²	185	73.7 Å²	73.7	86%	0.864	36%	0.363	S	S	*	.			trans	-78.1	113.4	170.2	-67.4	-170.6	175	0	0	110.1
266	L	91.9	Very high	91.6	Very high	41 Å²	41	81.4 Å²	81.4	22%	0.215	40%	0.399	C	S	.	.			trans	-77.5	131.2	178.2	-169	66.9	0	0	0	110.3	V205 L243 F256 L259 I264 F270 L274	V205-L266 HydrophobicContact CB-CD1 4.25Å; V205-L266 HydrophobicContact CG1-CD1 3.77Å; L243-L266 HydrophobicContact CD2-CD1 4.27Å; F256-L266 HydrophobicContact CE1-CD2 4.34Å; L259-L266 HydrophobicContact CD1-CB 4.11Å; L259-L266 HydrophobicContact CD1-CD1 4.14Å; L259-L266 HydrophobicContact CD1-CD2 3.95Å; L259-L266 HydrophobicContact CD1-CG 4.3Å; L259-L266 HydrophobicContact CD2-CD1 4.44Å; I264-L266 PolarHBondContact O-N 2.98Å; L266-F270 HydrophobicContact CD1-CB 4.3Å; L266-F270 HydrophobicContact CD1-CD2 3.45Å; L266-F270 VanDerWaalsContact CD1-CD2 3.45Å; L266-F270 HydrophobicContact CD1-CE2 3.93Å; L266-F270 HydrophobicContact CD1-CG 4Å; L266-F270 HydrophobicContact CD2-CB 3.59Å; L266-F270 HydrophobicContact CD2-CD2 4.33Å; L266-F270 HydrophobicContact CD2-CG 4.19Å; L266-F270 HydrophobicContact CG-CB 3.8Å; L266-F270 HydrophobicContact CG-CD2 3.67Å; L266-F270 HydrophobicContact CG-CG 4.03Å; L266-L274 HydrophobicContact CD2-CD1 3.73Å
267	D	91.7	Very high	91.5	Very high	46 Å²	46	80.6 Å²	80.6	25%	0.246	40%	0.396	C	S	.	.			trans	-49.9	128	175	-175.1	-38.6	0	0	0	110.4	Y240 R269 F270	Y240-D267 HydrophobicContact CE1-CB 4.27Å; Y240-D267 PolarHBondContact OH-OD2 2.98Å; D267-R269 PolarHBondContact O-N 3.11Å; D267-R269 WeakPolarHBondContact OD1-CB 3.38Å; D267-R269 WeakPolarHBondContact OD1-CG 3.41Å; D267-R269 PolarHBondContact OD1-N 2.95Å; D267-R269 IonicContact OD1-NE 2.72Å; D267-R269 PolarHBondContact OD1-NE 2.88Å; D267-R269 VanDerWaalsContact OD1-NE 3.11Å; D267-R269 IonicContact OD2-CZ 3.07Å; D267-R269 IonicContact OD2-NE 3.27Å; D267-R269 PolarHBondContact OD2-NE 2.84Å; D267-R269 IonicContact OD2-NH2 3.38Å; D267-R269 PolarHBondContact OD2-NH2 3.49Å; D267-F270 HydrophobicContact CB-CD2 3.86Å; D267-F270 HydrophobicContact CB-CE2 4.07Å; D267-F270 WeakPolarHBondContact O-CB 3.39Å; D267-F270 WeakPolarHBondContact O-CD2 3.37Å; D267-F270 PolarHBondContact O-N 3.43Å
268	P	88.8	Confident	91.5	Very high	91 Å²	91	83.7 Å²	83.7	59%	0.591	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-52.7	-26.5	-177.8	-28.9	35.3	0	0	0	114.4	F270 K271	P268-F270 PolarHBondContact O-N 3.11Å; P268-F270 VanDerWaalsContact O-N 3.13Å; P268-K271 WeakPolarHBondContact O-CB 3.29Å; P268-K271 PolarHBondContact O-N 3.31Å; P268-K271 VanDerWaalsContact O-N 3.08Å
269	R	89.4	Confident	91.5	Very high	142 Å²	142	87.1 Å²	87.1	54%	0.536	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-57.4	-23.8	175.3	-71.8	-179.8	-79.6	-170.5	-15.7	113.8	Y240 D267 L273	Y240-R269 HydrophobicContact CD1-CB 4.12Å; Y240-R269 HydrophobicContact CE1-CB 3.98Å; Y240-R269 PolarHBondContact OH-NE 3.37Å; Y240-R269 PolarHBondContact OH-NH1 3.19Å; Y240-R269 PolarHBondContact OH-NH2 3Å; D267-R269 PolarHBondContact O-N 3.11Å; D267-R269 WeakPolarHBondContact OD1-CB 3.38Å; D267-R269 WeakPolarHBondContact OD1-CG 3.41Å; D267-R269 PolarHBondContact OD1-N 2.95Å; D267-R269 IonicContact OD1-NE 2.72Å; D267-R269 PolarHBondContact OD1-NE 2.88Å; D267-R269 VanDerWaalsContact OD1-NE 3.11Å; D267-R269 IonicContact OD2-CZ 3.07Å; D267-R269 IonicContact OD2-NE 3.27Å; D267-R269 PolarHBondContact OD2-NE 2.84Å; D267-R269 IonicContact OD2-NH2 3.38Å; D267-R269 PolarHBondContact OD2-NH2 3.49Å; R269-L273 WeakPolarHBondContact O-CD1 3.45Å; R269-L273 WeakPolarHBondContact O-CG 3.45Å
270	F	88.3	Confident	91.6	Very high	3 Å²	3	90.2 Å²	90.2	1%	0.013	44%	0.44	C	S	.	.	G	3₁₀ helix	trans	-77.7	-18.6	178.5	-74.4	-67.7	0	0	0	114.3	Y240 L243 L266 D267 P268 D272 L273 L274	Y240-F270 HydrophobicContact CD1-CD1 4.14Å; Y240-F270 HydrophobicContact CD1-CD2 4.17Å; Y240-F270 AromaticContact CD1-CE1 3.61Å; Y240-F270 HydrophobicContact CD1-CE1 3.61Å; Y240-F270 AromaticContact CD1-CE2 3.68Å; Y240-F270 HydrophobicContact CD1-CE2 3.68Å; Y240-F270 HydrophobicContact CD1-CG 4.39Å; Y240-F270 AromaticContact CD1-CZ 3.38Å; Y240-F270 HydrophobicContact CD1-CZ 3.38Å; Y240-F270 HydrophobicContact CE1-CD2 4.2Å; Y240-F270 HydrophobicContact CE1-CE1 4.42Å; Y240-F270 AromaticContact CE1-CE2 3.65Å; Y240-F270 HydrophobicContact CE1-CE2 3.65Å; Y240-F270 AromaticContact CE1-CZ 3.78Å; Y240-F270 HydrophobicContact CE1-CZ 3.78Å; Y240-F270 HydrophobicContact CG-CE1 4.28Å; Y240-F270 HydrophobicContact CG-CZ 4.19Å; L243-F270 HydrophobicContact CB-CE1 3.73Å; L243-F270 HydrophobicContact CB-CZ 4.16Å; L243-F270 HydrophobicContact CD2-CD1 3.92Å; L243-F270 HydrophobicContact CD2-CE1 3.52Å; L243-F270 HydrophobicContact CD2-CE2 4.15Å; L243-F270 HydrophobicContact CD2-CG 4.4Å; L243-F270 HydrophobicContact CD2-CZ 3.64Å; L243-F270 HydrophobicContact CG-CE1 4.18Å; L266-F270 HydrophobicContact CD1-CB 4.3Å; L266-F270 HydrophobicContact CD1-CD2 3.45Å; L266-F270 VanDerWaalsContact CD1-CD2 3.45Å; L266-F270 HydrophobicContact CD1-CE2 3.93Å; L266-F270 HydrophobicContact CD1-CG 4Å; L266-F270 HydrophobicContact CD2-CB 3.59Å; L266-F270 HydrophobicContact CD2-CD2 4.33Å; L266-F270 HydrophobicContact CD2-CG 4.19Å; L266-F270 HydrophobicContact CG-CB 3.8Å; L266-F270 HydrophobicContact CG-CD2 3.67Å; L266-F270 HydrophobicContact CG-CG 4.03Å; D267-F270 HydrophobicContact CB-CD2 3.86Å; D267-F270 HydrophobicContact CB-CE2 4.07Å; D267-F270 WeakPolarHBondContact O-CB 3.39Å; D267-F270 WeakPolarHBondContact O-CD2 3.37Å; D267-F270 PolarHBondContact O-N 3.43Å; P268-F270 PolarHBondContact O-N 3.11Å; P268-F270 VanDerWaalsContact O-N 3.13Å; F270-D272 VanDerWaalsContact C-N 3.28Å; F270-D272 PolarHBondContact O-N 3.04Å; F270-L273 PolarHBondContact O-N 3.11Å; F270-L273 VanDerWaalsContact O-N 3.11Å; F270-L274 HydrophobicContact CB-CD1 3.89Å; F270-L274 HydrophobicContact CB-CG 4.22Å; F270-L274 HydrophobicContact CD1-CD1 4.44Å; F270-L274 HydrophobicContact CD1-CG 4.3Å; F270-L274 HydrophobicContact CG-CD1 4.44Å; F270-L274 PolarHBondContact O-N 3.33Å; F270-L274 VanDerWaalsContact O-N 3.1Å
271	K	77.5	Confident	91.6	Very high	170 Å²	170	90 Å²	90	74%	0.739	44%	0.439	S	S	*	.	H	α-helix	trans	-57.3	-43.2	-176.1	-72.9	-177	176.8	179.9	0	112	P268	P268-K271 WeakPolarHBondContact O-CB 3.29Å; P268-K271 PolarHBondContact O-N 3.31Å; P268-K271 VanDerWaalsContact O-N 3.08Å
272	D	81.4	Confident	91.7	Very high	153 Å²	153	85.5 Å²	85.5	82%	0.818	42%	0.419	S	S	*	.	H	α-helix	trans	-84	-16.9	-178.6	-56.7	-34.2	0	0	0	112.7	F270	F270-D272 VanDerWaalsContact C-N 3.28Å; F270-D272 PolarHBondContact O-N 3.04Å
273	L	86.3	Confident	91.8	Very high	87 Å²	87	88.5 Å²	88.5	46%	0.455	43%	0.434	S	S	.	.	H	α-helix	trans	-95.5	-34.9	-170.3	-67	177.7	0	0	0	114.3	V244 R269 F270	V244-L273 HydrophobicContact CG2-CB 3.77Å; R269-L273 WeakPolarHBondContact O-CD1 3.45Å; R269-L273 WeakPolarHBondContact O-CG 3.45Å; F270-L273 PolarHBondContact O-N 3.11Å; F270-L273 VanDerWaalsContact O-N 3.11Å
274	L	89.1	Confident	92	Very high	4 Å²	4	88 Å²	88	2%	0.021	43%	0.432	C	S	.	.	H	α-helix	trans	-77.6	-38.6	-172.4	-70.7	172	0	0	0	112.6	L243 V244 A247 T252 L255 F256 L266 F270	L243-L274 HydrophobicContact CG-CD2 4.32Å; V244-L274 HydrophobicContact CG2-CD2 4.15Å; A247-L274 HydrophobicContact CB-CD2 3.77Å; T252-L274 HydrophobicContact CG2-CB 4.35Å; L255-L274 HydrophobicContact CD2-CD1 3.82Å; L255-L274 HydrophobicContact CD2-CD2 4.07Å; F256-L274 HydrophobicContact CZ-CD1 4.42Å; L266-L274 HydrophobicContact CD2-CD1 3.73Å; F270-L274 HydrophobicContact CB-CD1 3.89Å; F270-L274 HydrophobicContact CB-CG 4.22Å; F270-L274 HydrophobicContact CD1-CD1 4.44Å; F270-L274 HydrophobicContact CD1-CG 4.3Å; F270-L274 HydrophobicContact CG-CD1 4.44Å; F270-L274 PolarHBondContact O-N 3.33Å; F270-L274 VanDerWaalsContact O-N 3.1Å
275	G	86.6	Confident	92.1	Very high	48 Å²	48	88.4 Å²	88.4	50%	0.495	43%	0.433	S	S	.	.			trans	54.7	-154.8	-171	0	0	0	0	0	112.2	T252	T252-G275 WeakPolarHBondContact CG2-O 3.36Å
276	Q	92.6	Very high	92.4	Very high	163 Å²	163	82.1 Å²	82.1	76%	0.762	41%	0.407	S	S	*	.			trans	-106.5	127.1	169.4	-170.7	174.6	12.3	0	0	109.2
277	Q	94.4	Very high	92.6	Very high	57 Å²	57	85.8 Å²	85.8	27%	0.266	42%	0.423	S	S	.	.			trans	-131.1	132.2	178.2	-54.8	-64.8	-32.2	0	0	109.5	A247 K248 G251 T252	A247-Q277 VanDerWaalsContact O-CB 3.28Å; A247-Q277 WeakPolarHBondContact O-CB 3.21Å; K248-Q277 HydrophobicContact CG-CG 4.18Å; G251-Q277 CarbonylContact C-O 3.59Å; G251-Q277 WeakPolarHBondContact CA-O 3.1Å; T252-Q277 HydrophobicContact CG2-CB 4Å; T252-Q277 HydrophobicContact CG2-CG 4.02Å; T252-Q277 PolarHBondContact N-O 2.98Å; T252-Q277 PolarHBondContact OG1-N 3.26Å; T252-Q277 PolarHBondContact OG1-O 2.98Å
278	S	96.8	Very high	92.9	Very high	93 Å²	93	88.6 Å²	88.6	65%	0.65	44%	0.442	S	S	*	.	P	Polyproline II helix	trans	-80	148.6	169.5	54.8	0	0	0	0	110.8	K280	S278-K280 PolarHBondContact O-N 3.22Å
279	R	98.1	Very high	93.2	Very high	77 Å²	77	89.8 Å²	89.8	29%	0.291	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-60.6	127.3	170.1	-173.7	-170.1	-172.3	81.1	2.3	108.9	E254 D303	E254-R279 WeakPolarHBondContact OE1-CD 3.39Å; E254-R279 IonicContact OE1-CZ 3.53Å; E254-R279 IonicContact OE1-NE 3.98Å; E254-R279 IonicContact OE1-NH1 3.41Å; E254-R279 PolarHBondContact OE1-NH1 2.83Å; E254-R279 IonicContact OE2-CZ 3.69Å; E254-R279 IonicContact OE2-NH1 3.59Å; E254-R279 PolarHBondContact OE2-NH1 3.48Å; R279-D303 IonicContact CZ-OD1 3.38Å; R279-D303 IonicContact NE-OD1 3.66Å; R279-D303 IonicContact NH2-OD1 2.69Å; R279-D303 PolarHBondContact NH2-OD1 2.9Å; R279-D303 IonicContact NH2-OD2 2.73Å
280	K	98.1	Very high	93.5	Very high	75 Å²	75	83.2 Å²	83.2	33%	0.326	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-85.2	142.9	175.8	-65.9	-170.6	173.9	-176.6	0	110.4	K248 V249 S278 F285	K248-K280 VanDerWaalsContact O-CD 3.24Å; K248-K280 WeakPolarHBondContact O-CD 3.36Å; K248-K280 WeakPolarHBondContact O-CE 3.37Å; V249-K280 PolarHBondContact O-N 3.39Å; S278-K280 PolarHBondContact O-N 3.22Å; K280-F285 HydrophobicContact CB-CE2 4.41Å; K280-F285 HydrophobicContact CD-CZ 4.19Å
281	R	98.3	Very high	94	Very high	165 Å²	165	88.6 Å²	88.6	62%	0.623	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-71.5	134.7	167.3	-79	-170.3	67.5	-179.6	5	109.7	E283 Q284	R281-E283 VanDerWaalsContact CB-OE2 3.3Å; R281-E283 WeakPolarHBondContact CB-OE2 3.03Å; R281-E283 IonicContact CZ-OE1 2.63Å; R281-E283 IonicContact CZ-OE2 2.91Å; R281-E283 IonicContact NE-OE1 3.52Å; R281-E283 IonicContact NE-OE2 3.94Å; R281-E283 PolarHBondContact NE-OE2 2.85Å; R281-E283 IonicContact NH2-OE1 3.39Å; R281-E283 PolarHBondContact NH2-OE1 3.37Å; R281-E283 IonicContact NH2-OE2 3.28Å; R281-E283 PolarHBondContact O-N 2.62Å; R281-Q284 HydrophobicContact CB-CG 4.4Å; R281-Q284 WeakPolarHBondContact O-CB 3.37Å; R281-Q284 WeakPolarHBondContact O-CG 3.33Å; R281-Q284 PolarHBondContact O-N 3.15Å; R281-Q284 VanDerWaalsContact O-N 3.09Å
282	W	98.6	Very high	95	Very high	12 Å²	12	85.9 Å²	85.9	5%	0.045	43%	0.43	C	S	.	.	G	3₁₀ helix	trans	-62.4	-27.2	-178.1	-66.9	117	0	0	0	112.9	F228 F233 V249 L250 Q284 F285 L299 L302 D303 L306	F228-W282 HydrophobicContact CE2-CE3 4.01Å; F228-W282 HydrophobicContact CE2-CZ3 4.49Å; F228-W282 HydrophobicContact CZ-CB 4.32Å; F228-W282 HydrophobicContact CZ-CE3 4.22Å; F233-W282 AromaticContact CE1-CZ3 3.83Å; F233-W282 HydrophobicContact CE1-CZ3 3.83Å; F233-W282 HydrophobicContact CZ-CE3 4.42Å; F233-W282 AromaticContact CZ-CZ3 3.77Å; F233-W282 HydrophobicContact CZ-CZ3 3.77Å; V249-W282 HydrophobicContact CG1-CE3 4.45Å; V249-W282 HydrophobicContact CG1-CH2 3.85Å; V249-W282 HydrophobicContact CG1-CZ3 3.68Å; L250-W282 HydrophobicContact CD2-CH2 3.95Å; L250-W282 HydrophobicContact CD2-CZ2 3.86Å; W282-Q284 PolarHBondContact O-N 3.04Å; W282-Q284 VanDerWaalsContact O-N 3.09Å; W282-F285 AromaticContact CE3-CD2 3.94Å; W282-F285 HydrophobicContact CE3-CD2 3.94Å; W282-F285 AromaticContact CE3-CE2 3.97Å; W282-F285 HydrophobicContact CE3-CE2 3.97Å; W282-F285 HydrophobicContact CZ3-CE2 4.27Å; W282-F285 WeakPolarHBondContact O-CD2 3.29Å; W282-F285 PolarHBondContact O-N 2.99Å; W282-L299 HydrophobicContact CB-CB 4.45Å; W282-L299 HydrophobicContact CB-CD1 4.12Å; W282-L299 HydrophobicContact CB-CD2 3.79Å; W282-L299 HydrophobicContact CB-CG 4.33Å; W282-L302 HydrophobicContact CD2-CD2 4.13Å; W282-L302 HydrophobicContact CE3-CD2 3.92Å; W282-L302 HydrophobicContact CH2-CD2 4.3Å; W282-L302 HydrophobicContact CZ2-CD2 4.47Å; W282-L302 HydrophobicContact CZ2-CG 4.42Å; W282-L302 HydrophobicContact CZ3-CD2 4.01Å; W282-D303 PolarHBondContact NE1-OD1 2.94Å; W282-L306 HydrophobicContact CH2-CB 4.37Å; W282-L306 HydrophobicContact CH2-CD1 3.68Å; W282-L306 HydrophobicContact CZ2-CB 4.3Å; W282-L306 HydrophobicContact CZ2-CD1 4.29Å; W282-L306 HydrophobicContact CZ3-CD1 4.43Å
283	E	97.9	Very high	95.8	Very high	89 Å²	89	78.7 Å²	78.7	42%	0.416	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-59.2	-21.6	176.1	-58.6	93.2	141.8	0	0	112.7	R281 F285 V286 L299	R281-E283 VanDerWaalsContact CB-OE2 3.3Å; R281-E283 WeakPolarHBondContact CB-OE2 3.03Å; R281-E283 IonicContact CZ-OE1 2.63Å; R281-E283 IonicContact CZ-OE2 2.91Å; R281-E283 IonicContact NE-OE1 3.52Å; R281-E283 IonicContact NE-OE2 3.94Å; R281-E283 PolarHBondContact NE-OE2 2.85Å; R281-E283 IonicContact NH2-OE1 3.39Å; R281-E283 PolarHBondContact NH2-OE1 3.37Å; R281-E283 IonicContact NH2-OE2 3.28Å; R281-E283 PolarHBondContact O-N 2.62Å; E283-F285 PolarHBondContact O-N 2.81Å; E283-V286 WeakPolarHBondContact O-CB 3.33Å; E283-V286 PolarHBondContact O-N 3.47Å; E283-L299 HydrophobicContact CG-CD1 4.12Å
284	Q	98	Very high	96.3	Very high	123 Å²	123	75.8 Å²	75.8	58%	0.575	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-67.7	-15.5	175	-63.8	-176	2.5	0	0	113.7	R281 W282	R281-Q284 HydrophobicContact CB-CG 4.4Å; R281-Q284 WeakPolarHBondContact O-CB 3.37Å; R281-Q284 WeakPolarHBondContact O-CG 3.33Å; R281-Q284 PolarHBondContact O-N 3.15Å; R281-Q284 VanDerWaalsContact O-N 3.09Å; W282-Q284 PolarHBondContact O-N 3.04Å; W282-Q284 VanDerWaalsContact O-N 3.09Å
285	F	98.2	Very high	96.8	Very high	32 Å²	32	76.5 Å²	76.5	14%	0.14	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-97.8	-2	177.4	-55.6	-77.5	0	0	0	112.7	F228 F233 V249 K280 W282 E283 N290	F228-F285 HydrophobicContact CD1-CB 3.64Å; F228-F285 HydrophobicContact CD2-CB 4.15Å; F228-F285 HydrophobicContact CE1-CB 3.71Å; F228-F285 HydrophobicContact CE2-CB 4.18Å; F228-F285 HydrophobicContact CG-CB 3.88Å; F228-F285 HydrophobicContact CZ-CB 3.98Å; F233-F285 HydrophobicContact CE2-CD1 4.11Å; F233-F285 HydrophobicContact CE2-CE1 4.47Å; F233-F285 HydrophobicContact CE2-CG 4.19Å; F233-F285 HydrophobicContact CZ-CD1 4.12Å; F233-F285 HydrophobicContact CZ-CD2 4.17Å; F233-F285 HydrophobicContact CZ-CE1 4.1Å; F233-F285 HydrophobicContact CZ-CE2 4.17Å; F233-F285 HydrophobicContact CZ-CG 4.16Å; F233-F285 HydrophobicContact CZ-CZ 4.13Å; V249-F285 HydrophobicContact CB-CZ 4.44Å; V249-F285 HydrophobicContact CG1-CE2 3.88Å; V249-F285 HydrophobicContact CG1-CZ 3.83Å; V249-F285 HydrophobicContact CG2-CZ 3.83Å; K280-F285 HydrophobicContact CB-CE2 4.41Å; K280-F285 HydrophobicContact CD-CZ 4.19Å; W282-F285 AromaticContact CE3-CD2 3.94Å; W282-F285 HydrophobicContact CE3-CD2 3.94Å; W282-F285 AromaticContact CE3-CE2 3.97Å; W282-F285 HydrophobicContact CE3-CE2 3.97Å; W282-F285 HydrophobicContact CZ3-CE2 4.27Å; W282-F285 WeakPolarHBondContact O-CD2 3.29Å; W282-F285 PolarHBondContact O-N 2.99Å; E283-F285 PolarHBondContact O-N 2.81Å; F285-N290 PolarHBondContact O-ND2 3.32Å
286	V	98.1	Very high	97.4	Very high	53 Å²	53	79 Å²	79	32%	0.321	39%	0.39	S	S	.	.			trans	-79.4	128.3	176.5	-176	0	0	0	0	109.3	F228 E283 N290 Q291 V294	F228-V286 HydrophobicContact CE1-CG2 4.26Å; E283-V286 WeakPolarHBondContact O-CB 3.33Å; E283-V286 PolarHBondContact O-N 3.47Å; V286-N290 WeakPolarHBondContact CA-OD1 3.48Å; V286-Q291 HydrophobicContact CG1-CB 3.94Å; V286-V294 HydrophobicContact CG2-CB 4.29Å; V286-V294 HydrophobicContact CG2-CG1 3.82Å; V286-V294 HydrophobicContact CG2-CG2 4.29Å
287	Q	96.7	Very high	97.7	Very high	119 Å²	119	74.9 Å²	74.9	56%	0.556	37%	0.371	S	S	*	.			trans	-131	164.9	179.9	-58.1	-177.5	-11.2	0	0	109.2	E289 N290 Q291	Q287-E289 VanDerWaalsContact CB-OE2 3.28Å; Q287-E289 WeakPolarHBondContact CB-OE2 3.48Å; Q287-E289 PolarHBondContact O-N 2.94Å; Q287-E289 VanDerWaalsContact O-N 3.14Å; Q287-N290 PolarHBondContact N-OD1 3.3Å; Q287-N290 PolarHBondContact O-N 3.35Å; Q287-N290 VanDerWaalsContact O-N 3.13Å; Q287-N290 PolarHBondContact O-OD1 3.17Å; Q287-N290 VanDerWaalsContact O-OD1 3.14Å; Q287-Q291 WeakPolarHBondContact O-CB 3.5Å; Q287-Q291 PolarHBondContact O-N 3.06Å
288	T	97	Very high	97.9	Very high	105 Å²	105	72.2 Å²	72.2	64%	0.644	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-35.3	180	-55.2	0	0	0	0	111.9
289	E	95.6	Very high	98	Very high	116 Å²	116	68.8 Å²	68.8	54%	0.542	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-31.8	-176	-58.2	71.9	-155.7	0	0	112	Q287 H292	Q287-E289 VanDerWaalsContact CB-OE2 3.28Å; Q287-E289 WeakPolarHBondContact CB-OE2 3.48Å; Q287-E289 PolarHBondContact O-N 2.94Å; Q287-E289 VanDerWaalsContact O-N 3.14Å; E289-H292 PolarHBondContact O-CE1 2.82Å; E289-H292 PolarHBondContact O-ND1 3.19Å
290	N	97.1	Very high	98	Very high	3 Å²	3	68.2 Å²	68.2	2%	0.016	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-9.4	-173.1	72.9	22.7	0	0	0	114.5	F228 Q229 F285 V286 Q287 H292 L293	F228-N290 WeakPolarHBondContact CA-ND2 3.4Å; F228-N290 PolarHBondContact O-ND2 2.99Å; Q229-N290 HydrophobicContact CB-CB 4.43Å; Q229-N290 HydrophobicContact CG-CB 4.24Å; F285-N290 PolarHBondContact O-ND2 3.32Å; V286-N290 WeakPolarHBondContact CA-OD1 3.48Å; Q287-N290 PolarHBondContact N-OD1 3.3Å; Q287-N290 PolarHBondContact O-N 3.35Å; Q287-N290 VanDerWaalsContact O-N 3.13Å; Q287-N290 PolarHBondContact O-OD1 3.17Å; Q287-N290 VanDerWaalsContact O-OD1 3.14Å; N290-H292 PolarHBondContact O-N 2.92Å; N290-L293 WeakPolarHBondContact O-CB 3.16Å; N290-L293 PolarHBondContact O-N 2.71Å
291	Q	97.6	Very high	98.1	Very high	116 Å²	116	64.7 Å²	64.7	54%	0.542	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-55.1	-27.7	-176.1	67.3	-177.8	-9.3	0	0	114.1	V286 Q287 L293 V294	V286-Q291 HydrophobicContact CG1-CB 3.94Å; Q287-Q291 WeakPolarHBondContact O-CB 3.5Å; Q287-Q291 PolarHBondContact O-N 3.06Å; Q291-L293 PolarHBondContact O-N 3.39Å; Q291-V294 PolarHBondContact O-N 3.07Å
292	H	97.9	Very high	98.1	Very high	114 Å²	114	56.8 Å²	56.8	53%	0.528	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-71.5	-12.1	178.4	69.4	-81.2	0	0	0	113.7	E289 N290	E289-H292 PolarHBondContact O-CE1 2.82Å; E289-H292 PolarHBondContact O-ND1 3.19Å; N290-H292 PolarHBondContact O-N 2.92Å
293	L	98.3	Very high	98.1	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.005	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-105.7	-5.4	177	-55.1	176.1	0	0	0	112.5	D131 I134 Q229 N290 Q291	D131-L293 HydrophobicContact CB-CD2 4.32Å; I134-L293 HydrophobicContact CD1-CB 4.32Å; I134-L293 HydrophobicContact CD1-CD1 4.05Å; I134-L293 HydrophobicContact CD1-CD2 3.96Å; I134-L293 HydrophobicContact CD1-CG 4.33Å; Q229-L293 HydrophobicContact CG-CD1 3.81Å; N290-L293 WeakPolarHBondContact O-CB 3.16Å; N290-L293 PolarHBondContact O-N 2.71Å; Q291-L293 PolarHBondContact O-N 3.39Å
294	V	98.4	Very high	98.2	Very high	27 Å²	27	56.6 Å²	56.6	16%	0.164	29%	0.29	C	S	.	.			trans	-109.3	125.2	-174.3	-177	0	0	0	0	109.9	I227 F228 V286 Q291 L299	I227-V294 HydrophobicContact CB-CG2 4.35Å; I227-V294 WeakPolarHBondContact O-CG2 3.29Å; F228-V294 HydrophobicContact CD1-CG2 4.12Å; F228-V294 HydrophobicContact CE1-CG2 4.09Å; V286-V294 HydrophobicContact CG2-CB 4.29Å; V286-V294 HydrophobicContact CG2-CG1 3.82Å; V286-V294 HydrophobicContact CG2-CG2 4.29Å; Q291-V294 PolarHBondContact O-N 3.07Å; V294-L299 HydrophobicContact CG1-CD1 3.96Å; V294-L299 HydrophobicContact CG1-CD2 3.58Å; V294-L299 HydrophobicContact CG1-CG 3.73Å
295	S	98.7	Very high	98.2	Very high	18 Å²	18	50.7 Å²	50.7	13%	0.126	26%	0.262	C	S	.	.			trans	-130.4	160	173.9	53.6	0	0	0	0	110.1	R135 E297 A298 L299	R135-S295 PolarHBondContact NH2-OG 2.86Å; S295-E297 WeakPolarHBondContact CB-OE2 3.37Å; S295-E297 PolarHBondContact O-N 3.27Å; S295-A298 WeakPolarHBondContact O-CB 3.33Å; S295-A298 PolarHBondContact O-N 3.08Å; S295-A298 WeakPolarHBondContact OG-CB 3.21Å; S295-A298 PolarHBondContact OG-N 3.21Å; S295-L299 PolarHBondContact O-N 2.95Å
296	P	98.8	Very high	98.2	Very high	100 Å²	100	49.2 Å²	49.2	65%	0.649	26%	0.256	S	S	*	.	H	α-helix	trans	-51.9	-39.9	173.3	-27	36.2	0	0	0	112.7	A298 L299 D300	P296-A298 PolarHBondContact O-N 3.28Å; P296-L299 PolarHBondContact O-N 2.98Å; P296-D300 WeakPolarHBondContact O-CB 3.39Å; P296-D300 PolarHBondContact O-N 2.99Å
297	E	98.9	Very high	98.3	Very high	78 Å²	78	49.7 Å²	49.7	36%	0.364	25%	0.252	S	S	.	.	H	α-helix	trans	-66.6	-35.9	178.1	-61.5	73.5	-161.1	0	0	112.3	S295 L301 H322 P323 Y324	S295-E297 WeakPolarHBondContact CB-OE2 3.37Å; S295-E297 PolarHBondContact O-N 3.27Å; E297-L301 WeakPolarHBondContact O-CB 3.01Å; E297-L301 PolarHBondContact O-N 3.21Å; E297-H322 PolarHBondContact O-CE1 3.5Å; E297-H322 VanDerWaalsContact O-CE1 3.27Å; E297-P323 HydrophobicContact CG-CB 4.18Å; E297-Y324 HydrophobicContact CB-CD2 4.15Å
298	A	98.8	Very high	98.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-66.2	-44	175.7	0	0	0	0	0	111.3	I227 S295 P296 L302 Y324	I227-A298 HydrophobicContact CD1-CB 4.26Å; S295-A298 WeakPolarHBondContact O-CB 3.33Å; S295-A298 PolarHBondContact O-N 3.08Å; S295-A298 WeakPolarHBondContact OG-CB 3.21Å; S295-A298 PolarHBondContact OG-N 3.21Å; P296-A298 PolarHBondContact O-N 3.28Å; A298-L302 WeakPolarHBondContact O-CB 3.37Å; A298-L302 PolarHBondContact O-N 3.15Å; A298-Y324 HydrophobicContact CB-CD2 3.84Å; A298-Y324 HydrophobicContact CB-CE2 3.49Å; A298-Y324 VanDerWaalsContact CB-CE2 3.49Å
299	L	98.9	Very high	98.5	Very high	21 Å²	21	39.6 Å²	39.6	11%	0.11	20%	0.197	C	C	.	.	H	α-helix	trans	-67.8	-40.6	179.4	-62	-171.7	0	0	0	111.8	I227 F228 W282 E283 V294 S295 P296 L302 D303	I227-L299 HydrophobicContact CD1-CD2 4.27Å; F228-L299 HydrophobicContact CE1-CD2 4.01Å; F228-L299 HydrophobicContact CZ-CD2 3.69Å; W282-L299 HydrophobicContact CB-CB 4.45Å; W282-L299 HydrophobicContact CB-CD1 4.12Å; W282-L299 HydrophobicContact CB-CD2 3.79Å; W282-L299 HydrophobicContact CB-CG 4.33Å; E283-L299 HydrophobicContact CG-CD1 4.12Å; V294-L299 HydrophobicContact CG1-CD1 3.96Å; V294-L299 HydrophobicContact CG1-CD2 3.58Å; V294-L299 HydrophobicContact CG1-CG 3.73Å; S295-L299 PolarHBondContact O-N 2.95Å; P296-L299 PolarHBondContact O-N 2.98Å; L299-L302 PolarHBondContact O-N 2.93Å; L299-D303 WeakPolarHBondContact O-CB 3.41Å; L299-D303 PolarHBondContact O-N 3.15Å
300	D	98.9	Very high	98.6	Very high	66 Å²	66	34.1 Å²	34.1	35%	0.353	17%	0.172	S	C	.	.	H	α-helix	trans	-65.2	-43.5	176.6	-177.3	50.8	0	0	0	111.9	P296 L302 D303 K304 H322	P296-D300 WeakPolarHBondContact O-CB 3.39Å; P296-D300 PolarHBondContact O-N 2.99Å; D300-L302 VanDerWaalsContact C-N 3.34Å; D300-L302 PolarHBondContact O-N 3.49Å; D300-D303 PolarHBondContact O-N 3.41Å; D300-K304 VanDerWaalsContact CG-NZ 3.29Å; D300-K304 VanDerWaalsContact O-CG 3.31Å; D300-K304 WeakPolarHBondContact O-CG 3.48Å; D300-K304 PolarHBondContact O-N 3.36Å; D300-K304 VanDerWaalsContact O-N 3.12Å; D300-K304 WeakPolarHBondContact OD1-CE 3.42Å; D300-K304 IonicContact OD1-NZ 3.61Å; D300-K304 PolarHBondContact OD1-NZ 2.99Å; D300-K304 WeakPolarHBondContact OD2-CE 3.16Å; D300-K304 IonicContact OD2-NZ 3.67Å; D300-K304 PolarHBondContact OD2-NZ 2.89Å; D300-H322 IonicContact OD2-CE1 2.62Å; D300-H322 PolarHBondContact OD2-CE1 3.32Å; D300-H322 IonicContact OD2-NE2 2.77Å; D300-H322 PolarHBondContact OD2-NE2 3.45Å
301	L	98.9	Very high	98.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-59	-48	172.7	177.2	60.6	0	0	0	110.9	L223 E297 D303 K304 L305 L314 A319 H322 Y324 F325	L223-L301 HydrophobicContact CD2-CD2 3.81Å; L223-L301 HydrophobicContact CD2-CG 3.98Å; E297-L301 WeakPolarHBondContact O-CB 3.01Å; E297-L301 PolarHBondContact O-N 3.21Å; L301-D303 VanDerWaalsContact C-N 3.33Å; L301-D303 PolarHBondContact O-N 2.88Å; L301-K304 PolarHBondContact O-N 3.07Å; L301-L305 HydrophobicContact CD1-CD1 4.06Å; L301-L305 HydrophobicContact CD1-CG 4.3Å; L301-L305 HydrophobicContact CG-CD1 3.95Å; L301-L305 WeakPolarHBondContact O-CG 3.43Å; L301-L305 PolarHBondContact O-N 2.92Å; L301-L305 VanDerWaalsContact O-N 3.1Å; L301-L314 HydrophobicContact CD1-CD1 3.81Å; L301-A319 HydrophobicContact CD1-CB 4.33Å; L301-H322 HydrophobicContact CD1-CB 3.97Å; L301-H322 PolarHBondContact N-CE1 2.87Å; L301-Y324 HydrophobicContact CD2-CD1 3.41Å; L301-Y324 VanDerWaalsContact CD2-CD1 3.41Å; L301-Y324 HydrophobicContact CD2-CE1 4.15Å; L301-Y324 HydrophobicContact CD2-CG 3.98Å; L301-F325 HydrophobicContact CD1-CE2 4.38Å; L301-F325 HydrophobicContact CD2-CE2 3.53Å; L301-F325 HydrophobicContact CD2-CZ 3.62Å
302	L	98.9	Very high	98.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-61.7	-42.2	-178.8	-176.2	65.7	0	0	0	111.8	G220 L223 A224 I227 F228 W282 A298 L299 D300 K304 L305 L306	G220-L302 WeakPolarHBondContact O-CD1 3.36Å; L223-L302 HydrophobicContact CB-CD1 4.21Å; L223-L302 HydrophobicContact CD2-CB 4.21Å; L223-L302 HydrophobicContact CD2-CD1 4.17Å; L223-L302 HydrophobicContact CG-CD1 4.3Å; A224-L302 HydrophobicContact CB-CD1 3.86Å; A224-L302 HydrophobicContact CB-CD2 3.91Å; I227-L302 HydrophobicContact CD1-CD2 4.12Å; F228-L302 HydrophobicContact CE2-CD2 3.59Å; F228-L302 HydrophobicContact CZ-CD2 4.16Å; W282-L302 HydrophobicContact CD2-CD2 4.13Å; W282-L302 HydrophobicContact CE3-CD2 3.92Å; W282-L302 HydrophobicContact CH2-CD2 4.3Å; W282-L302 HydrophobicContact CZ2-CD2 4.47Å; W282-L302 HydrophobicContact CZ2-CG 4.42Å; W282-L302 HydrophobicContact CZ3-CD2 4.01Å; A298-L302 WeakPolarHBondContact O-CB 3.37Å; A298-L302 PolarHBondContact O-N 3.15Å; L299-L302 PolarHBondContact O-N 2.93Å; D300-L302 VanDerWaalsContact C-N 3.34Å; D300-L302 PolarHBondContact O-N 3.49Å; L302-K304 VanDerWaalsContact C-N 3.28Å; L302-K304 PolarHBondContact O-N 3.22Å; L302-L305 PolarHBondContact O-N 3.34Å; L302-L306 HydrophobicContact CD1-CD1 3.63Å; L302-L306 HydrophobicContact CD1-CG 3.91Å; L302-L306 HydrophobicContact CG-CD1 4.03Å; L302-L306 HydrophobicContact CG-CG 4.45Å; L302-L306 PolarHBondContact O-N 3.33Å
303	D	98.9	Very high	98.8	Very high	30 Å²	30	29.9 Å²	29.9	16%	0.16	15%	0.152	C	C	.	.	H	α-helix	trans	-61.1	-37.4	177.9	-164.5	79.3	0	0	0	112.3	R279 W282 L299 D300 L301 R307	R279-D303 IonicContact CZ-OD1 3.38Å; R279-D303 IonicContact NE-OD1 3.66Å; R279-D303 IonicContact NH2-OD1 2.69Å; R279-D303 PolarHBondContact NH2-OD1 2.9Å; R279-D303 IonicContact NH2-OD2 2.73Å; W282-D303 PolarHBondContact NE1-OD1 2.94Å; L299-D303 WeakPolarHBondContact O-CB 3.41Å; L299-D303 PolarHBondContact O-N 3.15Å; D300-D303 PolarHBondContact O-N 3.41Å; L301-D303 VanDerWaalsContact C-N 3.33Å; L301-D303 PolarHBondContact O-N 2.88Å; D303-R307 WeakPolarHBondContact O-CD 3.41Å; D303-R307 PolarHBondContact O-NE 2.86Å; D303-R307 IonicContact OD2-CZ 2.66Å; D303-R307 IonicContact OD2-NE 2.77Å; D303-R307 IonicContact OD2-NH2 2.88Å; D303-R307 PolarHBondContact OD2-NH2 2.92Å
304	K	98.9	Very high	98.8	Very high	66 Å²	66	31 Å²	31	29%	0.287	16%	0.158	S	C	.	.	H	α-helix	trans	-79.2	-16	178.3	-66.2	168.4	177.7	163.4	0	113.6	D300 L301 L302 R313 L314 H322	D300-K304 VanDerWaalsContact CG-NZ 3.29Å; D300-K304 VanDerWaalsContact O-CG 3.31Å; D300-K304 WeakPolarHBondContact O-CG 3.48Å; D300-K304 PolarHBondContact O-N 3.36Å; D300-K304 VanDerWaalsContact O-N 3.12Å; D300-K304 WeakPolarHBondContact OD1-CE 3.42Å; D300-K304 IonicContact OD1-NZ 3.61Å; D300-K304 PolarHBondContact OD1-NZ 2.99Å; D300-K304 WeakPolarHBondContact OD2-CE 3.16Å; D300-K304 IonicContact OD2-NZ 3.67Å; D300-K304 PolarHBondContact OD2-NZ 2.89Å; L301-K304 PolarHBondContact O-N 3.07Å; L302-K304 VanDerWaalsContact C-N 3.28Å; L302-K304 PolarHBondContact O-N 3.22Å; K304-R313 WeakPolarHBondContact O-CA 3.43Å; K304-L314 HydrophobicContact CB-CD1 3.61Å; K304-L314 HydrophobicContact CB-CD2 4.22Å; K304-L314 HydrophobicContact CB-CG 3.7Å; K304-L314 HydrophobicContact CD-CD1 4.15Å; K304-L314 HydrophobicContact CD-CD2 4.39Å; K304-L314 PolarHBondContact O-N 3.13Å; K304-H322 PolarHBondContact NZ-NE2 2.82Å
305	L	98.9	Very high	98.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-90	-45.2	172.9	-69.5	168.4	0	0	0	112.3	M216 L219 L223 L301 L302 R307 R313 L314	M216-L305 HydrophobicContact CB-CD2 4.28Å; M216-L305 HydrophobicContact CE-CD2 3.64Å; L219-L305 HydrophobicContact CD2-CD1 3.54Å; L219-L305 HydrophobicContact CD2-CD2 4.17Å; L223-L305 HydrophobicContact CD2-CD1 4.15Å; L301-L305 HydrophobicContact CD1-CD1 4.06Å; L301-L305 HydrophobicContact CD1-CG 4.3Å; L301-L305 HydrophobicContact CG-CD1 3.95Å; L301-L305 WeakPolarHBondContact O-CG 3.43Å; L301-L305 PolarHBondContact O-N 2.92Å; L301-L305 VanDerWaalsContact O-N 3.1Å; L302-L305 PolarHBondContact O-N 3.34Å; L305-R307 VanDerWaalsContact C-N 3.33Å; L305-R307 PolarHBondContact O-N 3.17Å; L305-R313 WeakPolarHBondContact O-CD 3.47Å; L305-R313 WeakPolarHBondContact O-CG 3.3Å; L305-L314 HydrophobicContact CD2-CB 4.36Å
306	L	98.9	Very high	98.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.149	C	C	.	.	S	Bend	trans	-87.7	68.4	-176.2	-66.1	-175.1	0	0	0	111.9	W217 A224 F234 L250 W282 L302	W217-L306 HydrophobicContact CD2-CD2 3.91Å; W217-L306 HydrophobicContact CE3-CD2 3.84Å; W217-L306 HydrophobicContact CH2-CD2 4.17Å; W217-L306 HydrophobicContact CZ2-CD2 4.22Å; W217-L306 HydrophobicContact CZ3-CB 4.2Å; W217-L306 HydrophobicContact CZ3-CD2 3.99Å; A224-L306 HydrophobicContact CB-CD1 4.43Å; F234-L306 HydrophobicContact CE2-CD1 3.95Å; F234-L306 HydrophobicContact CE2-CD2 4.41Å; F234-L306 HydrophobicContact CZ-CD1 4.2Å; L250-L306 WeakPolarHBondContact CD1-O 3.33Å; W282-L306 HydrophobicContact CH2-CB 4.37Å; W282-L306 HydrophobicContact CH2-CD1 3.68Å; W282-L306 HydrophobicContact CZ2-CB 4.3Å; W282-L306 HydrophobicContact CZ2-CD1 4.29Å; W282-L306 HydrophobicContact CZ3-CD1 4.43Å; L302-L306 HydrophobicContact CD1-CD1 3.63Å; L302-L306 HydrophobicContact CD1-CG 3.91Å; L302-L306 HydrophobicContact CG-CD1 4.03Å; L302-L306 HydrophobicContact CG-CG 4.45Å; L302-L306 PolarHBondContact O-N 3.33Å
307	R	98.9	Very high	98.9	Very high	63 Å²	63	27 Å²	27	24%	0.238	13%	0.131	C	C	.	.			trans	-109.9	141.7	172.4	-60.5	-65.2	-179.3	126.4	-1.7	111.1	D303 L305 Q312 R313	D303-R307 WeakPolarHBondContact O-CD 3.41Å; D303-R307 PolarHBondContact O-NE 2.86Å; D303-R307 IonicContact OD2-CZ 2.66Å; D303-R307 IonicContact OD2-NE 2.77Å; D303-R307 IonicContact OD2-NH2 2.88Å; D303-R307 PolarHBondContact OD2-NH2 2.92Å; L305-R307 VanDerWaalsContact C-N 3.33Å; L305-R307 PolarHBondContact O-N 3.17Å; R307-Q312 HydrophobicContact CB-CB 4.39Å; R307-Q312 HydrophobicContact CG-CB 4.44Å; R307-R313 HydrophobicContact CB-CG 4.02Å; R307-R313 PolarHBondContact O-NE 3.22Å; R307-R313 PolarHBondContact O-NH2 3.23Å
308	Y	98.9	Very high	98.9	Very high	4 Å²	4	26.3 Å²	26.3	2%	0.016	13%	0.128	C	C	.	.	S	Bend	trans	-59.3	-54.2	172	-72.3	-70.3	0	0	0	111.4	P201 I246 A247 L250 G251 E254 L255 H310 R313	P201-Y308 HydrophobicContact CB-CD1 3.81Å; P201-Y308 HydrophobicContact CB-CE1 4.48Å; P201-Y308 HydrophobicContact CG-CD1 3.66Å; P201-Y308 HydrophobicContact CG-CE1 4.23Å; I246-Y308 HydrophobicContact CG2-CD1 4.5Å; I246-Y308 HydrophobicContact CG2-CE1 3.6Å; A247-Y308 WeakPolarHBondContact CA-OH 3.23Å; L250-Y308 HydrophobicContact CB-CD2 4.22Å; L250-Y308 HydrophobicContact CB-CE2 3.37Å; L250-Y308 HydrophobicContact CD1-CD2 4.35Å; L250-Y308 HydrophobicContact CD1-CE1 4.46Å; L250-Y308 HydrophobicContact CD1-CE2 4.14Å; L250-Y308 HydrophobicContact CG-CE2 4.42Å; G251-Y308 WeakPolarHBondContact O-CE2 3.27Å; G251-Y308 PolarHBondContact O-OH 2.77Å; E254-Y308 HydrophobicContact CB-CD2 3.69Å; E254-Y308 HydrophobicContact CB-CE2 3.88Å; L255-Y308 HydrophobicContact CB-CD1 4.35Å; L255-Y308 HydrophobicContact CB-CD2 4.37Å; L255-Y308 HydrophobicContact CB-CE1 3.94Å; L255-Y308 HydrophobicContact CB-CE2 3.92Å; L255-Y308 HydrophobicContact CD1-CD1 3.84Å; L255-Y308 HydrophobicContact CD1-CE1 3.79Å; L255-Y308 HydrophobicContact CG-CE1 4.3Å; Y308-H310 PolarHBondContact O-N 2.95Å; Y308-R313 PolarHBondContact O-NH2 3.47Å
309	D	98.8	Very high	98.9	Very high	8 Å²	8	26.3 Å²	26.3	4%	0.043	13%	0.128	C	C	.	.	S	Bend	trans	-67.2	105.3	177.5	-171	-8.3	0	0	0	109.9	Y258 K261 Y262 Q311 Q312	Y258-D309 VanDerWaalsContact CD2-CA 3.49Å; Y258-D309 HydrophobicContact CD2-CB 3.97Å; K261-D309 WeakPolarHBondContact CD-OD2 3.5Å; K261-D309 IonicContact NZ-OD1 3.85Å; K261-D309 IonicContact NZ-OD2 3.55Å; K261-D309 PolarHBondContact NZ-OD2 3.43Å; Y262-D309 VanDerWaalsContact CE2-OD1 3.3Å; Y262-D309 WeakPolarHBondContact CE2-OD1 3.38Å; Y262-D309 PolarHBondContact OH-OD1 2.75Å; D309-Q311 PolarHBondContact O-N 2.88Å; D309-Q311 WeakPolarHBondContact OD1-CB 3.36Å; D309-Q311 PolarHBondContact OD1-N 3.37Å; D309-Q312 HydrophobicContact CB-CB 4.28Å; D309-Q312 HydrophobicContact CB-CG 3.88Å; D309-Q312 WeakPolarHBondContact O-CB 3.42Å; D309-Q312 PolarHBondContact O-N 3.28Å; D309-Q312 PolarHBondContact OD2-NE2 3.06Å
310	H	98.8	Very high	98.9	Very high	1 Å²	1	27 Å²	27	1%	0.005	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-59.6	-27.9	-177.8	59.1	-78.4	0	0	0	112.3	S8 Y207 D211 S213 Y258 Y262 Y308 Q312 R313	S8-H310 PolarHBondContact OG-NE2 2.72Å; Y207-H310 AromaticContact CE1-CE1 3.54Å; Y207-H310 AromaticContact CE1-NE2 3.86Å; D211-H310 IonicContact OD2-CD2 2.76Å; S213-H310 WeakPolarHBondContact CB-O 3.37Å; S213-H310 WeakPolarHBondContact OG-CB 3.4Å; S213-H310 PolarHBondContact OG-O 3.13Å; Y258-H310 AromaticContact CE2-ND1 3.6Å; Y262-H310 AromaticContact CE1-CE1 3.8Å; Y262-H310 AromaticContact CE2-CE1 3.96Å; Y262-H310 AromaticContact CZ-CE1 3.59Å; Y308-H310 PolarHBondContact O-N 2.95Å; H310-Q312 VanDerWaalsContact C-N 3.26Å; H310-Q312 PolarHBondContact O-N 3.07Å; H310-R313 PolarHBondContact O-N 2.71Å
311	Q	98.6	Very high	98.9	Very high	36 Å²	36	30 Å²	30	17%	0.168	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-70.5	-19.1	174.2	-65.9	-69.5	-34.3	0	0	113.6	S8 K9 R11 D211 Y262 D309	S8-Q311 PolarHBondContact OG-NE2 2.67Å; K9-Q311 PolarHBondContact O-NE2 3.16Å; K9-Q311 PolarHBondContact O-OE1 2.74Å; R11-Q311 WeakPolarHBondContact CD-O 3.45Å; R11-Q311 PolarHBondContact NE-O 3.24Å; D211-Q311 PolarHBondContact OD2-NE2 3.03Å; Y262-Q311 WeakPolarHBondContact OH-CB 3.4Å; Y262-Q311 WeakPolarHBondContact OH-CG 3.27Å; D309-Q311 PolarHBondContact O-N 2.88Å; D309-Q311 WeakPolarHBondContact OD1-CB 3.36Å; D309-Q311 PolarHBondContact OD1-N 3.37Å
312	Q	98.7	Very high	98.9	Very high	107 Å²	107	30.3 Å²	30.3	50%	0.5	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	-93.3	-8.6	179.4	-63.2	180	24	0	0	113.4	R307 D309 H310	R307-Q312 HydrophobicContact CB-CB 4.39Å; R307-Q312 HydrophobicContact CG-CB 4.44Å; D309-Q312 HydrophobicContact CB-CB 4.28Å; D309-Q312 HydrophobicContact CB-CG 3.88Å; D309-Q312 WeakPolarHBondContact O-CB 3.42Å; D309-Q312 PolarHBondContact O-N 3.28Å; D309-Q312 PolarHBondContact OD2-NE2 3.06Å; H310-Q312 VanDerWaalsContact C-N 3.26Å; H310-Q312 PolarHBondContact O-N 3.07Å
313	R	98.9	Very high	98.8	Very high	1 Å²	1	32.9 Å²	32.9	0%	0.004	16%	0.161	C	C	.	.	S	Bend	trans	-71.9	143.9	177.6	-57.9	-179.9	-165.8	145.3	9	109.5	R11 E202 S213 K304 L305 R307 Y308 H310	R11-R313 PolarHBondContact NH2-O 2.67Å; E202-R313 IonicContact OE1-CZ 3.89Å; E202-R313 IonicContact OE1-NH1 3.64Å; E202-R313 PolarHBondContact OE1-NH1 2.81Å; E202-R313 IonicContact OE1-NH2 3.73Å; E202-R313 IonicContact OE2-CZ 3.78Å; E202-R313 IonicContact OE2-NH1 3.49Å; E202-R313 PolarHBondContact OE2-NH1 2.77Å; E202-R313 IonicContact OE2-NH2 2.73Å; E202-R313 PolarHBondContact OE2-NH2 3.39Å; S213-R313 WeakPolarHBondContact O-CD 3.15Å; S213-R313 PolarHBondContact O-NH1 3.14Å; K304-R313 WeakPolarHBondContact O-CA 3.43Å; L305-R313 WeakPolarHBondContact O-CD 3.47Å; L305-R313 WeakPolarHBondContact O-CG 3.3Å; R307-R313 HydrophobicContact CB-CG 4.02Å; R307-R313 PolarHBondContact O-NE 3.22Å; R307-R313 PolarHBondContact O-NH2 3.23Å; Y308-R313 PolarHBondContact O-NH2 3.47Å; H310-R313 PolarHBondContact O-N 2.71Å
314	L	98.9	Very high	98.8	Very high	26 Å²	26	31.5 Å²	31.5	14%	0.136	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-55.2	142.4	170.5	-60.9	173.4	0	0	0	110.6	M216 L301 K304 L305 E318 A319	M216-L314 WeakPolarHBondContact CG-O 3.31Å; L301-L314 HydrophobicContact CD1-CD1 3.81Å; K304-L314 HydrophobicContact CB-CD1 3.61Å; K304-L314 HydrophobicContact CB-CD2 4.22Å; K304-L314 HydrophobicContact CB-CG 3.7Å; K304-L314 HydrophobicContact CD-CD1 4.15Å; K304-L314 HydrophobicContact CD-CD2 4.39Å; K304-L314 PolarHBondContact O-N 3.13Å; L305-L314 HydrophobicContact CD2-CB 4.36Å; L314-E318 WeakPolarHBondContact CA-OE2 3.47Å; L314-E318 HydrophobicContact CB-CB 4.19Å; L314-E318 HydrophobicContact CD2-CB 3.97Å; L314-A319 HydrophobicContact CB-CB 4.16Å; L314-A319 HydrophobicContact CD1-CB 4.25Å
315	T	98.9	Very high	98.8	Very high	14 Å²	14	28.4 Å²	28.4	9%	0.086	14%	0.14	C	C	.	.	P	Polyproline II helix	trans	-69.5	167.4	162.1	64.6	0	0	0	0	110.2	V12 T317 E318 A319	V12-T315 HydrophobicContact CB-CG2 4.32Å; V12-T315 HydrophobicContact CG1-CG2 3.8Å; V12-T315 HydrophobicContact CG2-CG2 3.54Å; T315-T317 VanDerWaalsContact C-N 3.3Å; T315-T317 PolarHBondContact O-N 3.08Å; T315-E318 WeakPolarHBondContact CG2-OE2 3.42Å; T315-E318 PolarHBondContact N-OE2 3.34Å; T315-E318 PolarHBondContact O-N 3.3Å; T315-E318 WeakPolarHBondContact OG1-CB 2.91Å; T315-E318 WeakPolarHBondContact OG1-CG 3.43Å; T315-E318 PolarHBondContact OG1-N 3.08Å; T315-E318 VanDerWaalsContact OG1-N 3.1Å; T315-E318 PolarHBondContact OG1-OE2 2.63Å; T315-A319 VanDerWaalsContact O-CB 3.28Å; T315-A319 WeakPolarHBondContact O-CB 3.37Å; T315-A319 PolarHBondContact O-N 2.92Å
316	A	98.9	Very high	98.8	Very high	2 Å²	2	35.2 Å²	35.2	2%	0.017	17%	0.167	C	C	.	.	H	α-helix	trans	-59.8	-41.1	175.5	0	0	0	0	0	112	L142 L145 D146 M216 A319 M320	L142-A316 HydrophobicContact CD2-CB 4.27Å; L145-A316 HydrophobicContact CB-CB 4.19Å; D146-A316 HydrophobicContact CB-CB 3.65Å; M216-A316 HydrophobicContact CE-CB 4.42Å; M216-A316 HydrophobicContact SD-CB 4.01Å; A316-A319 PolarHBondContact O-N 3.17Å; A316-M320 WeakPolarHBondContact O-CG 3.31Å; A316-M320 PolarHBondContact O-N 3.16Å
317	T	98.8	Very high	98.8	Very high	43 Å²	43	37.9 Å²	37.9	26%	0.264	18%	0.184	S	C	.	.	H	α-helix	trans	-62.9	-52.2	175.2	-36.6	0	0	0	0	112.1	D146 T315 A319 M320 E321	D146-T317 PolarHBondContact OD1-OG1 3.02Å; T315-T317 VanDerWaalsContact C-N 3.3Å; T315-T317 PolarHBondContact O-N 3.08Å; T317-A319 PolarHBondContact O-N 3.01Å; T317-M320 WeakPolarHBondContact O-CB 3.26Å; T317-M320 PolarHBondContact O-N 2.98Å; T317-E321 WeakPolarHBondContact O-CG 3.33Å; T317-E321 PolarHBondContact O-N 3.25Å
318	E	98.9	Very high	98.7	Very high	64 Å²	64	34.9 Å²	34.9	30%	0.299	17%	0.173	S	C	.	.	H	α-helix	trans	-60.9	-34.3	179.3	-69.8	163.2	166	0	0	111.5	R11 L314 T315 E321 H322	R11-E318 IonicContact CZ-OE1 2.91Å; R11-E318 IonicContact CZ-OE2 3.86Å; R11-E318 IonicContact NH1-OE1 3.31Å; R11-E318 PolarHBondContact NH1-OE1 3.11Å; R11-E318 IonicContact NH1-OE2 3.53Å; R11-E318 PolarHBondContact NH1-OE2 3.47Å; R11-E318 IonicContact NH2-OE1 2.99Å; R11-E318 IonicContact NH2-OE2 2.72Å; R11-E318 PolarHBondContact NH2-OE2 3.05Å; L314-E318 WeakPolarHBondContact CA-OE2 3.47Å; L314-E318 HydrophobicContact CB-CB 4.19Å; L314-E318 HydrophobicContact CD2-CB 3.97Å; T315-E318 WeakPolarHBondContact CG2-OE2 3.42Å; T315-E318 PolarHBondContact N-OE2 3.34Å; T315-E318 PolarHBondContact O-N 3.3Å; T315-E318 WeakPolarHBondContact OG1-CB 2.91Å; T315-E318 WeakPolarHBondContact OG1-CG 3.43Å; T315-E318 PolarHBondContact OG1-N 3.08Å; T315-E318 VanDerWaalsContact OG1-N 3.1Å; T315-E318 PolarHBondContact OG1-OE2 2.63Å; E318-E321 PolarHBondContact O-N 3.32Å; E318-H322 PolarHBondContact O-N 2.85Å
319	A	98.9	Very high	98.7	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-68	-41.5	174.3	0	0	0	0	0	111.7	L142 M216 L301 L314 T315 A316 T317 E321 H322 F325	L142-A319 HydrophobicContact CD1-CB 3.94Å; L142-A319 HydrophobicContact CD2-CB 3.75Å; M216-A319 HydrophobicContact CE-CB 3.96Å; L301-A319 HydrophobicContact CD1-CB 4.33Å; L314-A319 HydrophobicContact CB-CB 4.16Å; L314-A319 HydrophobicContact CD1-CB 4.25Å; T315-A319 VanDerWaalsContact O-CB 3.28Å; T315-A319 WeakPolarHBondContact O-CB 3.37Å; T315-A319 PolarHBondContact O-N 2.92Å; A316-A319 PolarHBondContact O-N 3.17Å; T317-A319 PolarHBondContact O-N 3.01Å; A319-E321 PolarHBondContact O-N 2.98Å; A319-H322 WeakPolarHBondContact O-CB 3.44Å; A319-H322 PolarHBondContact O-N 2.94Å; A319-H322 VanDerWaalsContact O-N 3.09Å; A319-F325 WeakPolarHBondContact O-CD2 3.45Å; A319-F325 WeakPolarHBondContact O-CE2 3.29Å
320	M	98.8	Very high	98.6	Very high	35 Å²	35	43.9 Å²	43.9	17%	0.172	22%	0.217	C	C	.	.	H	α-helix	trans	-62	-30.6	174.7	-77.2	174.6	42	0	0	113.1	Y139 L142 K143 A316 T317 H322	Y139-M320 HydrophobicContact CD2-CB 4.31Å; Y139-M320 HydrophobicContact CD2-CG 4.03Å; Y139-M320 HydrophobicContact CE2-CB 3.68Å; Y139-M320 HydrophobicContact CE2-CE 4.19Å; Y139-M320 HydrophobicContact CE2-CG 3.73Å; L142-M320 HydrophobicContact CB-CG 3.53Å; L142-M320 HydrophobicContact CB-SD 4.02Å; L142-M320 HydrophobicContact CD1-CG 3.98Å; L142-M320 HydrophobicContact CG-CG 4.32Å; K143-M320 HydrophobicContact CG-CE 4.26Å; K143-M320 HydrophobicContact CG-SD 4.15Å; A316-M320 WeakPolarHBondContact O-CG 3.31Å; A316-M320 PolarHBondContact O-N 3.16Å; T317-M320 WeakPolarHBondContact O-CB 3.26Å; T317-M320 PolarHBondContact O-N 2.98Å; M320-H322 PolarHBondContact O-N 2.72Å
321	E	98.8	Very high	98.4	Very high	129 Å²	129	48.7 Å²	48.7	60%	0.603	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-5.8	176.8	-67.8	173	170.1	0	0	113.2	T317 E318 A319 Y326	T317-E321 WeakPolarHBondContact O-CG 3.33Å; T317-E321 PolarHBondContact O-N 3.25Å; E318-E321 PolarHBondContact O-N 3.32Å; A319-E321 PolarHBondContact O-N 2.98Å; E321-Y326 WeakPolarHBondContact O-CE1 3.5Å
322	H	98.9	Very high	98	Very high	8 Å²	8	48.8 Å²	48.8	4%	0.037	24%	0.239	C	C	.	.	S	Bend	trans	-65.9	141.9	-177.6	-163.1	-91.7	0	0	0	112.4	E297 D300 L301 K304 E318 A319 M320 Y324 F325	E297-H322 PolarHBondContact O-CE1 3.5Å; E297-H322 VanDerWaalsContact O-CE1 3.27Å; D300-H322 IonicContact OD2-CE1 2.62Å; D300-H322 PolarHBondContact OD2-CE1 3.32Å; D300-H322 IonicContact OD2-NE2 2.77Å; D300-H322 PolarHBondContact OD2-NE2 3.45Å; L301-H322 HydrophobicContact CD1-CB 3.97Å; L301-H322 PolarHBondContact N-CE1 2.87Å; K304-H322 PolarHBondContact NZ-NE2 2.82Å; E318-H322 PolarHBondContact O-N 2.85Å; A319-H322 WeakPolarHBondContact O-CB 3.44Å; A319-H322 PolarHBondContact O-N 2.94Å; A319-H322 VanDerWaalsContact O-N 3.09Å; M320-H322 PolarHBondContact O-N 2.72Å; H322-Y324 WeakPolarHBondContact ND1-CB 3.46Å; H322-Y324 PolarHBondContact ND1-N 3.48Å; H322-Y324 PolarHBondContact O-N 3.4Å; H322-F325 HydrophobicContact CB-CD2 4.23Å; H322-F325 PolarHBondContact O-N 3.47Å
323	P	98.8	Very high	97.5	Very high	54 Å²	54	46.9 Å²	46.9	35%	0.351	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-52.5	-26	178.1	-30.8	36.5	0	0	0	115.6	E297 F325 Y326	E297-P323 HydrophobicContact CG-CB 4.18Å; P323-F325 PolarHBondContact O-N 2.65Å; P323-F325 VanDerWaalsContact O-N 3.14Å; P323-Y326 HydrophobicContact CB-CD2 4.34Å; P323-Y326 HydrophobicContact CB-CE2 4.17Å; P323-Y326 HydrophobicContact CG-CE2 4.34Å; P323-Y326 PolarHBondContact O-N 2.88Å; P323-Y326 VanDerWaalsContact O-N 3.16Å
324	Y	98.9	Very high	96.9	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-54.1	-31.7	174.6	-175.1	-116.2	0	0	0	112.6	D131 R135 L223 E297 A298 L301 H322	D131-Y324 PolarHBondContact OD1-OH 3.48Å; R135-Y324 HydrophobicContact CB-CE1 4.21Å; R135-Y324 WeakPolarHBondContact CD-O 3.2Å; R135-Y324 HydrophobicContact CG-CD1 4.02Å; R135-Y324 HydrophobicContact CG-CD2 4.16Å; R135-Y324 HydrophobicContact CG-CE1 3.49Å; R135-Y324 VanDerWaalsContact CG-CE1 3.49Å; R135-Y324 HydrophobicContact CG-CE2 3.58Å; R135-Y324 HydrophobicContact CG-CG 4.35Å; R135-Y324 WeakPolarHBondContact CG-OH 3.42Å; R135-Y324 PolarHBondContact NH1-O 2.96Å; L223-Y324 HydrophobicContact CD1-CE1 4.24Å; E297-Y324 HydrophobicContact CB-CD2 4.15Å; A298-Y324 HydrophobicContact CB-CD2 3.84Å; A298-Y324 HydrophobicContact CB-CE2 3.49Å; A298-Y324 VanDerWaalsContact CB-CE2 3.49Å; L301-Y324 HydrophobicContact CD2-CD1 3.41Å; L301-Y324 VanDerWaalsContact CD2-CD1 3.41Å; L301-Y324 HydrophobicContact CD2-CE1 4.15Å; L301-Y324 HydrophobicContact CD2-CG 3.98Å; H322-Y324 WeakPolarHBondContact ND1-CB 3.46Å; H322-Y324 PolarHBondContact ND1-N 3.48Å; H322-Y324 PolarHBondContact O-N 3.4Å
325	F	98.8	Very high	95.9	Very high	1 Å²	1	52.7 Å²	52.7	0%	0.004	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-97.5	-1.9	-177.3	-59.7	-66.3	0	0	0	114.8	R135 M138 Y139 L142 L301 A319 H322 P323 P327 V328 V329	R135-F325 HydrophobicContact CB-CD1 4.47Å; R135-F325 WeakPolarHBondContact O-CD1 3.44Å; R135-F325 VanDerWaalsContact O-CE1 3.26Å; R135-F325 WeakPolarHBondContact O-CE1 3.47Å; M138-F325 HydrophobicContact CB-CE1 3.82Å; M138-F325 HydrophobicContact CB-CZ 4.05Å; Y139-F325 HydrophobicContact CD2-CB 3.72Å; Y139-F325 AromaticContact CD2-CD1 3.82Å; Y139-F325 HydrophobicContact CD2-CD1 3.82Å; Y139-F325 HydrophobicContact CD2-CD2 4.22Å; Y139-F325 HydrophobicContact CD2-CE1 4.48Å; Y139-F325 AromaticContact CD2-CG 3.65Å; Y139-F325 HydrophobicContact CD2-CG 3.65Å; Y139-F325 HydrophobicContact CE2-CB 4.1Å; Y139-F325 HydrophobicContact CE2-CG 4.4Å; Y139-F325 HydrophobicContact CG-CD1 4.22Å; Y139-F325 HydrophobicContact CG-CG 4.48Å; L142-F325 HydrophobicContact CD1-CD2 4.37Å; L142-F325 HydrophobicContact CD1-CE1 4.4Å; L142-F325 HydrophobicContact CD1-CE2 3.5Å; L142-F325 HydrophobicContact CD1-CZ 3.51Å; L301-F325 HydrophobicContact CD1-CE2 4.38Å; L301-F325 HydrophobicContact CD2-CE2 3.53Å; L301-F325 HydrophobicContact CD2-CZ 3.62Å; A319-F325 WeakPolarHBondContact O-CD2 3.45Å; A319-F325 WeakPolarHBondContact O-CE2 3.29Å; H322-F325 HydrophobicContact CB-CD2 4.23Å; H322-F325 PolarHBondContact O-N 3.47Å; P323-F325 PolarHBondContact O-N 2.65Å; P323-F325 VanDerWaalsContact O-N 3.14Å; F325-P327 VanDerWaalsContact C-CD 3.42Å; F325-P327 VanDerWaalsContact C-N 3.31Å; F325-V328 WeakPolarHBondContact O-CB 3.41Å; F325-V328 PolarHBondContact O-N 2.93Å; F325-V329 WeakPolarHBondContact O-CG2 3.16Å; F325-V329 PolarHBondContact O-N 2.81Å
326	Y	98.4	Very high	94.7	Very high	143 Å²	143	56.6 Å²	56.6	56%	0.561	29%	0.294	S	S	*	.	H	α-helix	trans	-53.4	-40	179	-72.6	3	0	0	0	114	E321 P323 V328 V329 K330	E321-Y326 WeakPolarHBondContact O-CE1 3.5Å; P323-Y326 HydrophobicContact CB-CD2 4.34Å; P323-Y326 HydrophobicContact CB-CE2 4.17Å; P323-Y326 HydrophobicContact CG-CE2 4.34Å; P323-Y326 PolarHBondContact O-N 2.88Å; P323-Y326 VanDerWaalsContact O-N 3.16Å; Y326-V328 VanDerWaalsContact C-N 3.34Å; Y326-V328 PolarHBondContact O-N 2.87Å; Y326-V329 PolarHBondContact O-N 3.21Å; Y326-K330 WeakPolarHBondContact O-CB 3.31Å; Y326-K330 PolarHBondContact O-N 2.74Å
327	P	98.4	Very high	93.2	Very high	57 Å²	57	58.8 Å²	58.8	37%	0.37	31%	0.308	S	S	.	.	H	α-helix	trans	-59.4	-42.3	174.4	-24.9	35.8	0	0	0	113.1	Y132 F325 K330 E331	Y132-P327 HydrophobicContact CE2-CB 4.4Å; F325-P327 VanDerWaalsContact C-CD 3.42Å; F325-P327 VanDerWaalsContact C-N 3.31Å; P327-K330 PolarHBondContact O-N 2.81Å; P327-E331 PolarHBondContact O-N 2.92Å; P327-E331 VanDerWaalsContact O-N 3.07Å
328	V	98	Very high	91.4	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-67.8	-46.3	-179.8	179.6	0	0	0	0	110.7	Y132 R135 F136 Y139 F325 Y326 K330 E331 Q332	Y132-V328 HydrophobicContact CD2-CG2 4.5Å; Y132-V328 HydrophobicContact CE2-CG2 3.91Å; R135-V328 HydrophobicContact CB-CG2 3.64Å; F136-V328 HydrophobicContact CB-CG2 4.4Å; F136-V328 HydrophobicContact CD2-CG1 4.15Å; Y139-V328 HydrophobicContact CD1-CG1 3.81Å; Y139-V328 HydrophobicContact CE1-CG1 4.48Å; Y139-V328 HydrophobicContact CG-CG1 4.07Å; F325-V328 WeakPolarHBondContact O-CB 3.41Å; F325-V328 PolarHBondContact O-N 2.93Å; Y326-V328 VanDerWaalsContact C-N 3.34Å; Y326-V328 PolarHBondContact O-N 2.87Å; V328-K330 VanDerWaalsContact C-N 3.31Å; V328-K330 PolarHBondContact O-N 3.43Å; V328-E331 PolarHBondContact O-N 3.16Å; V328-Q332 HydrophobicContact CG1-CG 4.39Å; V328-Q332 WeakPolarHBondContact O-CB 3.42Å; V328-Q332 WeakPolarHBondContact O-CG 3.27Å; V328-Q332 PolarHBondContact O-N 2.87Å
329	V	97.1	Very high	89.6	Confident	59 Å²	59	63.4 Å²	63.4	36%	0.358	33%	0.334	S	S	.	.	H	α-helix	trans	-60.8	-43.1	178.5	176	0	0	0	0	110.7	Y139 F325 Y326 Q332 S333	Y139-V329 HydrophobicContact CE1-CG2 4.44Å; Y139-V329 HydrophobicContact CE2-CG2 3.9Å; F325-V329 WeakPolarHBondContact O-CG2 3.16Å; F325-V329 PolarHBondContact O-N 2.81Å; Y326-V329 PolarHBondContact O-N 3.21Å; V329-Q332 PolarHBondContact O-N 2.98Å; V329-S333 WeakPolarHBondContact O-CB 3.34Å; V329-S333 PolarHBondContact O-N 2.99Å; V329-S333 PolarHBondContact O-OG 2.86Å
330	K	96.4	Very high	87.5	Confident	142 Å²	142	68.7 Å²	68.7	62%	0.617	36%	0.362	S	S	*	.	H	α-helix	trans	-60.7	-47.9	176.9	-174.2	179.3	178.3	-177.2	0	111.5	Y326 P327 V328 S333 L334	Y326-K330 WeakPolarHBondContact O-CB 3.31Å; Y326-K330 PolarHBondContact O-N 2.74Å; P327-K330 PolarHBondContact O-N 2.81Å; V328-K330 VanDerWaalsContact C-N 3.31Å; V328-K330 PolarHBondContact O-N 3.43Å; K330-S333 PolarHBondContact O-N 3.17Å; K330-S333 PolarHBondContact O-OG 2.97Å; K330-L334 HydrophobicContact CG-CD1 4.45Å; K330-L334 WeakPolarHBondContact O-CG 3.16Å; K330-L334 PolarHBondContact O-N 3.01Å
331	E	94.7	Very high	85.5	Confident	101 Å²	101	73.5 Å²	73.5	47%	0.472	39%	0.386	S	S	.	.	H	α-helix	trans	-65	-41.6	179.7	-166.2	175	120.3	0	0	112.6	Y132 P327 V328 S333 L334 S335	Y132-E331 PolarHBondContact OH-OE1 2.98Å; Y132-E331 PolarHBondContact OH-OE2 3.07Å; P327-E331 PolarHBondContact O-N 2.92Å; P327-E331 VanDerWaalsContact O-N 3.07Å; V328-E331 PolarHBondContact O-N 3.16Å; E331-S333 VanDerWaalsContact C-N 3.3Å; E331-S333 PolarHBondContact O-N 3.14Å; E331-L334 PolarHBondContact O-N 3.3Å; E331-S335 PolarHBondContact O-N 3.31Å; E331-S335 VanDerWaalsContact O-N 3.1Å; E331-S335 PolarHBondContact O-OG 3.49Å
332	Q	91.4	Very high	83.4	Confident	38 Å²	38	72 Å²	72	18%	0.178	39%	0.385	C	S	.	.	H	α-helix	trans	-65.6	-31.7	175.8	-69.6	-174.1	2.5	0	0	112.7	E140 V328 V329 S335 N336	E140-Q332 PolarHBondContact OE1-NE2 2.75Å; V328-Q332 HydrophobicContact CG1-CG 4.39Å; V328-Q332 WeakPolarHBondContact O-CB 3.42Å; V328-Q332 WeakPolarHBondContact O-CG 3.27Å; V328-Q332 PolarHBondContact O-N 2.87Å; V329-Q332 PolarHBondContact O-N 2.98Å; Q332-S335 PolarHBondContact O-OG 2.92Å; Q332-S335 VanDerWaalsContact O-OG 3.08Å; Q332-N336 PolarHBondContact O-N 2.92Å; Q332-N336 PolarHBondContact O-ND2 2.81Å
333	S	88	Confident	81.2	Confident	67 Å²	67	75.5 Å²	75.5	47%	0.469	41%	0.41	S	S	.	.	H	α-helix	trans	-68.7	-38.9	175.4	71.5	0	0	0	0	112.4	V329 K330 E331 S337	V329-S333 WeakPolarHBondContact O-CB 3.34Å; V329-S333 PolarHBondContact O-N 2.99Å; V329-S333 PolarHBondContact O-OG 2.86Å; K330-S333 PolarHBondContact O-N 3.17Å; K330-S333 PolarHBondContact O-OG 2.97Å; E331-S333 VanDerWaalsContact C-N 3.3Å; E331-S333 PolarHBondContact O-N 3.14Å; S333-S337 PolarHBondContact O-N 2.9Å; S333-S337 VanDerWaalsContact O-N 3.16Å; S333-S337 PolarHBondContact O-OG 2.81Å
334	L	85.4	Confident	79	Confident	94 Å²	94	76.7 Å²	76.7	49%	0.492	42%	0.42	S	S	.	.	H	α-helix	trans	-68.9	-43.1	178.5	-68.7	168.9	0	0	0	111.9	K330 E331 N336 S337 D338	K330-L334 HydrophobicContact CG-CD1 4.45Å; K330-L334 WeakPolarHBondContact O-CG 3.16Å; K330-L334 PolarHBondContact O-N 3.01Å; E331-L334 PolarHBondContact O-N 3.3Å; L334-N336 VanDerWaalsContact C-N 3.29Å; L334-N336 PolarHBondContact O-N 3.41Å; L334-S337 WeakPolarHBondContact CA-OG 3.46Å; L334-S337 PolarHBondContact O-N 2.89Å; L334-S337 PolarHBondContact O-OG 2.94Å; L334-D338 PolarHBondContact O-N 3.47Å; L334-D338 VanDerWaalsContact O-N 3.08Å
335	S	79.4	Confident	76.6	Confident	55 Å²	55	79 Å²	79	39%	0.385	44%	0.444	S	S	.	.	H	α-helix	trans	-65.3	-33.4	178.2	62.4	0	0	0	0	112.8	E331 Q332 N339	E331-S335 PolarHBondContact O-N 3.31Å; E331-S335 VanDerWaalsContact O-N 3.1Å; E331-S335 PolarHBondContact O-OG 3.49Å; Q332-S335 PolarHBondContact O-OG 2.92Å; Q332-S335 VanDerWaalsContact O-OG 3.08Å; S335-N339 PolarHBondContact O-N 3.41Å; S335-N339 VanDerWaalsContact O-N 3.1Å; S335-N339 PolarHBondContact O-ND2 2.81Å
336	N	73	Confident	74.1	Confident	97 Å²	97	86.1 Å²	86.1	52%	0.519	48%	0.482	S	S	.	.	H	α-helix	trans	-70.7	-36.1	174.2	-75.4	-23.3	0	0	0	112.8	Q332 L334 N340	Q332-N336 PolarHBondContact O-N 2.92Å; Q332-N336 PolarHBondContact O-ND2 2.81Å; L334-N336 VanDerWaalsContact C-N 3.29Å; L334-N336 PolarHBondContact O-N 3.41Å; N336-N340 WeakPolarHBondContact O-CB 3.44Å; N336-N340 PolarHBondContact O-N 2.84Å; N336-N340 VanDerWaalsContact O-N 3.12Å; N336-N340 PolarHBondContact O-ND2 3.46Å
337	S	66.4	Low	71.6	Confident	47 Å²	47	85 Å²	85	33%	0.329	49%	0.49	S	S	.	.	H	α-helix	trans	-66.1	-40.2	173.8	47.9	0	0	0	0	112.3	S333 L334 N340 M341	S333-S337 PolarHBondContact O-N 2.9Å; S333-S337 VanDerWaalsContact O-N 3.16Å; S333-S337 PolarHBondContact O-OG 2.81Å; L334-S337 WeakPolarHBondContact CA-OG 3.46Å; L334-S337 PolarHBondContact O-N 2.89Å; L334-S337 PolarHBondContact O-OG 2.94Å; S337-N340 PolarHBondContact O-N 3.2Å; S337-M341 WeakPolarHBondContact O-CG 3.47Å; S337-M341 PolarHBondContact O-N 3.29Å
338	D	61.4	Low	69.1	Low	98 Å²	98	88.5 Å²	88.5	52%	0.524	51%	0.511	S	S	.	.	H	α-helix	trans	-67.1	-42.5	179.1	-70.5	-18.4	0	0	0	111.6	L334 N340 M341 V342	L334-D338 PolarHBondContact O-N 3.47Å; L334-D338 VanDerWaalsContact O-N 3.08Å; D338-N340 VanDerWaalsContact C-N 3.32Å; D338-N340 PolarHBondContact O-N 2.82Å; D338-M341 PolarHBondContact O-N 2.87Å; D338-V342 WeakPolarHBondContact O-CG2 3.46Å; D338-V342 PolarHBondContact O-N 3.34Å
339	N	61.3	Low	66.2	Low	106 Å²	106	93.4 Å²	93.4	57%	0.567	55%	0.551	S	S	*	*	H	α-helix	trans	-62.5	-38.3	174.9	-78.6	-27	0	0	0	112.5	S335 S343	S335-N339 PolarHBondContact O-N 3.41Å; S335-N339 VanDerWaalsContact O-N 3.1Å; S335-N339 PolarHBondContact O-ND2 2.81Å; N339-S343 WeakPolarHBondContact O-CB 3.25Å; N339-S343 PolarHBondContact O-N 3.4Å
340	N	56.2	Low	63.5	Low	112 Å²	112	106 Å²	106	60%	0.599	59%	0.592	S	S	*	*	H	α-helix	trans	-67.5	-41	176.2	-77.7	-18.7	0	0	0	111.7	N336 S337 D338 S343 S344	N336-N340 WeakPolarHBondContact O-CB 3.44Å; N336-N340 PolarHBondContact O-N 2.84Å; N336-N340 VanDerWaalsContact O-N 3.12Å; N336-N340 PolarHBondContact O-ND2 3.46Å; S337-N340 PolarHBondContact O-N 3.2Å; D338-N340 VanDerWaalsContact C-N 3.32Å; D338-N340 PolarHBondContact O-N 2.82Å; N340-S343 PolarHBondContact O-N 2.68Å; N340-S343 PolarHBondContact O-OG 3.14Å; N340-S344 PolarHBondContact O-N 2.63Å; N340-S344 PolarHBondContact O-OG 2.96Å; N340-S344 VanDerWaalsContact O-OG 3.11Å
341	M	55.8	Low	61.9	Low	135 Å²	135	104.2 Å²	104.2	67%	0.665	59%	0.591	S	S	*	*	H	α-helix	trans	-62.9	-42.4	175.3	-72.6	-165.7	-176.8	0	0	112.5	S337 D338 S344 G345	S337-M341 WeakPolarHBondContact O-CG 3.47Å; S337-M341 PolarHBondContact O-N 3.29Å; D338-M341 PolarHBondContact O-N 2.87Å; M341-S344 WeakPolarHBondContact CA-OG 3.47Å; M341-S344 PolarHBondContact O-N 2.9Å; M341-S344 PolarHBondContact O-OG 2.66Å; M341-G345 PolarHBondContact O-N 2.69Å; M341-G345 VanDerWaalsContact O-N 3.15Å
342	V	54.8	Low	60.2	Low	99 Å²	99	104.4 Å²	104.4	60%	0.6	60%	0.598	S	S	*	*	H	α-helix	trans	-66.4	-38	176.8	176.7	0	0	0	0	111.6	D338 S344 G345	D338-V342 WeakPolarHBondContact O-CG2 3.46Å; D338-V342 PolarHBondContact O-N 3.34Å; V342-S344 VanDerWaalsContact C-N 3.34Å; V342-S344 PolarHBondContact O-N 3.09Å; V342-G345 PolarHBondContact O-N 3.33Å
343	S	52.2	Low	58.4	Low	80 Å²	80	108.1 Å²	108.1	56%	0.559	62%	0.621	S	S	*	*	H	α-helix	trans	-66.6	-33.6	176.1	79.1	0	0	0	0	113.1	N339 N340	N339-S343 WeakPolarHBondContact O-CB 3.25Å; N339-S343 PolarHBondContact O-N 3.4Å; N340-S343 PolarHBondContact O-N 2.68Å; N340-S343 PolarHBondContact O-OG 3.14Å
344	S	53.6	Low	56.7	Low	80 Å²	80	110.5 Å²	110.5	56%	0.559	63%	0.63	S	S	*	*	H	α-helix	trans	-79.1	-14.5	176.3	56.8	0	0	0	0	114.4	N340 M341 V342	N340-S344 PolarHBondContact O-N 2.63Å; N340-S344 PolarHBondContact O-OG 2.96Å; N340-S344 VanDerWaalsContact O-OG 3.11Å; M341-S344 WeakPolarHBondContact CA-OG 3.47Å; M341-S344 PolarHBondContact O-N 2.9Å; M341-S344 PolarHBondContact O-OG 2.66Å; V342-S344 VanDerWaalsContact C-N 3.34Å; V342-S344 PolarHBondContact O-N 3.09Å
345	G	47.1	Very low	54.9	Low	49 Å²	49	111.5 Å²	111.5	51%	0.505	64%	0.638	S	S	.	*	H	α-helix	trans	-82.5	-14.3	178.5	0	0	0	0	0	114.9	M341 V342	M341-G345 PolarHBondContact O-N 2.69Å; M341-G345 VanDerWaalsContact O-N 3.15Å; V342-G345 PolarHBondContact O-N 3.33Å
346	N	46.8	Very low	53.3	Low	150 Å²	150	115.3 Å²	115.3	80%	0.802	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.1	12.4	-176.2	-88.4	-9.3	0	0	0	114.6
347	T	47.1	Very low	51.8	Low	118 Å²	118	116.6 Å²	116.6	72%	0.724	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.9	7.6	-179.6	-12.4	0	0	0	0	115.1
348	T	45	Very low	50.7	Low	131 Å²	131	121.9 Å²	121.9	80%	0.804	69%	0.691	S	S	*	*			trans	-135.1	80.5	175.4	37.9	0	0	0	0	112.5
349	A	37.7	Very low	49.8	Very low	103 Å²	103	123.9 Å²	123.9	85%	0.851	71%	0.705	S	S	*	*			trans	-150.7	103.5	147.9	0	0	0	0	0	107.7
350	R	40.6	Very low	48.8	Very low	324 Å²	324	125.5 Å²	125.5	100%	1.223	72%	0.717	S	S	*	*			trans	-87	0	163.6	-96.7	-174	176.7	-178.8	-0.1	109

Retrieved 350 of 350 residues in 126.1 ms (Link to these results)

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