A0A087Y1K2_POEFO Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A087Y1K2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 390 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	56.9	Low	90.9	Very high	221 Å²	221	83.6 Å²	83.6	100%	1.089	47%	0.465	S	S	*	.				0	137.4	0	-70.2	172.7	-178.6	0	0	107.1
2	S	77.3	Confident	91.5	Very high	105 Å²	105	82.4 Å²	82.4	73%	0.734	45%	0.449	S	S	*	.			trans	-63.1	135.2	171.1	42.8	0	0	0	0	108.7
3	G	85.6	Confident	92.1	Very high	53 Å²	53	78.5 Å²	78.5	55%	0.546	43%	0.429	S	S	.	.			trans	-63.1	174	176.6	0	0	0	0	0	112.8
4	P	93	Very high	92.5	Very high	63 Å²	63	77.4 Å²	77.4	41%	0.409	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-58.9	143.7	-178.7	25.6	-34.5	0	0	0	111.4	Y206 M208 Y261	P4-Y206 HydrophobicContact CB-CD2 4.29Å; P4-Y206 HydrophobicContact CB-CE2 4.12Å; P4-M208 HydrophobicContact CG-CE 4.44Å; P4-Y261 CarbonylContact C-O 3.6Å; P4-Y261 WeakPolarHBondContact CA-O 3.18Å
5	L	96.3	Very high	92.9	Very high	81 Å²	81	74.5 Å²	74.5	42%	0.424	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-69.3	139.8	179.2	-70.5	172.5	0	0	0	110.7	Y206 K260 Y261	L5-Y206 WeakPolarHBondContact O-CE2 3.12Å; L5-Y206 PolarHBondContact O-OH 2.93Å; L5-K260 VanDerWaalsContact CD1-O 3.25Å; L5-K260 WeakPolarHBondContact CD1-O 3.19Å; L5-Y261 PolarHBondContact N-O 3.12Å
6	P	97.2	Very high	93.3	Very high	98 Å²	98	70 Å²	70	64%	0.636	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-69.5	152.3	-177.1	29.2	-35.3	0	0	0	112.6	M208	P6-M208 HydrophobicContact CB-CE 4.25Å; P6-M208 HydrophobicContact CB-SD 3.94Å
7	S	98.3	Very high	93.6	Very high	8 Å²	8	70.8 Å²	70.8	6%	0.056	39%	0.388	C	S	.	.			trans	-130.3	152.9	175.5	167.9	0	0	0	0	110.7	Y206 M208 H309 Q310	S7-Y206 WeakPolarHBondContact CB-OH 3.15Å; S7-Y206 PolarHBondContact N-OH 3.11Å; S7-M208 WeakPolarHBondContact CB-O 3.21Å; S7-H309 PolarHBondContact OG-NE2 3.33Å; S7-Q310 PolarHBondContact OG-NE2 3.2Å
8	R	98.6	Very high	93.8	Very high	138 Å²	138	75.4 Å²	75.4	52%	0.521	41%	0.407	S	S	.	.			trans	-136.1	141.4	175.9	-69.5	-175.9	177.1	-107.6	-7.9	110	R10 T13 E14 Y182 P184 Q310	R8-R10 PolarHBondContact O-N 3.39Å; R8-T13 HydrophobicContact CB-CG2 4.02Å; R8-E14 IonicContact NH1-OE1 3.9Å; R8-E14 PolarHBondContact NH1-OE1 3.35Å; R8-Y182 WeakPolarHBondContact CA-OH 3.19Å; R8-P184 HydrophobicContact CG-CB 4.33Å; R8-P184 VanDerWaalsContact NH1-CB 3.27Å; R8-Q310 PolarHBondContact O-NE2 3.14Å; R8-Q310 PolarHBondContact O-OE1 2.99Å
9	A	98.8	Very high	94.1	Very high	4 Å²	4	77 Å²	77	3%	0.033	41%	0.406	C	S	.	.			trans	-54.7	138.1	174.7	0	0	0	0	0	111.1	V11 T13 Y182 D210 Y211	A9-V11 VanDerWaalsContact C-N 3.28Å; A9-V11 WeakPolarHBondContact CB-O 3.17Å; A9-V11 PolarHBondContact O-N 2.81Å; A9-T13 PolarHBondContact O-OG1 3.41Å; A9-Y182 HydrophobicContact CB-CD1 4.38Å; A9-Y182 HydrophobicContact CB-CE1 3.71Å; A9-Y182 HydrophobicContact CB-CE2 4.35Å; A9-Y182 PolarHBondContact N-OH 2.87Å; A9-D210 WeakPolarHBondContact CA-OD2 3.38Å; A9-D210 HydrophobicContact CB-CB 3.78Å; A9-Y211 HydrophobicContact CB-CD2 3.6Å; A9-Y211 HydrophobicContact CB-CE2 3.5Å; A9-Y211 VanDerWaalsContact CB-CE2 3.5Å
10	R	98.8	Very high	94.3	Very high	104 Å²	104	77.3 Å²	77.3	39%	0.392	41%	0.412	S	S	.	.	S	Bend	trans	-66.6	-30.4	176	-63.5	-164	-68.1	109.3	-4.4	113.4	R8 Q310 R312 E317	R8-R10 PolarHBondContact O-N 3.39Å; R10-Q310 VanDerWaalsContact CD-O 3.26Å; R10-Q310 WeakPolarHBondContact CD-O 3.3Å; R10-Q310 PolarHBondContact NE-O 3.42Å; R10-R312 PolarHBondContact NH2-O 2.9Å; R10-E317 IonicContact CZ-OE1 2.75Å; R10-E317 IonicContact CZ-OE2 3.11Å; R10-E317 IonicContact NH1-OE1 2.63Å; R10-E317 PolarHBondContact NH1-OE1 2.97Å; R10-E317 IonicContact NH1-OE2 3.01Å; R10-E317 PolarHBondContact NH1-OE2 3.27Å; R10-E317 IonicContact NH2-OE1 2.92Å; R10-E317 IonicContact NH2-OE2 3.37Å; R10-E317 PolarHBondContact NH2-OE2 3.35Å
11	V	98.8	Very high	94.5	Very high	45 Å²	45	81.1 Å²	81.1	27%	0.273	42%	0.421	S	S	.	.	S	Bend	trans	-129.1	156.1	-178	-65.8	0	0	0	0	109.6	A9 T13 Y211 T314	A9-V11 VanDerWaalsContact C-N 3.28Å; A9-V11 WeakPolarHBondContact CB-O 3.17Å; A9-V11 PolarHBondContact O-N 2.81Å; V11-T13 PolarHBondContact O-N 3.25Å; V11-Y211 VanDerWaalsContact O-CE2 3.28Å; V11-Y211 WeakPolarHBondContact O-CE2 3.48Å; V11-T314 HydrophobicContact CB-CG2 4.36Å; V11-T314 HydrophobicContact CG1-CG2 3.8Å; V11-T314 HydrophobicContact CG2-CG2 3.61Å
12	Y	98.8	Very high	96.4	Very high	69 Å²	69	76.5 Å²	76.5	27%	0.271	40%	0.397	S	S	.	.	S	Bend	trans	55.5	20.9	177.1	-46.8	-54.7	0	0	0	114.5	E14 V15 D145 H148 Y211	Y12-E14 VanDerWaalsContact C-N 3.31Å; Y12-E14 PolarHBondContact O-N 3.44Å; Y12-E14 VanDerWaalsContact O-N 3.16Å; Y12-V15 HydrophobicContact CD1-CG1 4.28Å; Y12-V15 WeakPolarHBondContact O-CG1 3.28Å; Y12-V15 VanDerWaalsContact O-CG2 3.28Å; Y12-V15 WeakPolarHBondContact O-CG2 3.32Å; Y12-V15 PolarHBondContact O-N 3.17Å; Y12-D145 PolarHBondContact OH-OD1 2.71Å; Y12-H148 WeakPolarHBondContact CB-O 3.42Å; Y12-H148 VanDerWaalsContact CD2-C 3.47Å; Y12-H148 HydrophobicContact CD2-CB 3.82Å; Y12-H148 HydrophobicContact CE2-CB 3.98Å; Y12-Y211 PolarHBondContact O-OH 2.86Å
13	T	98.8	Very high	97.4	Very high	32 Å²	32	72.6 Å²	72.6	20%	0.196	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-41.8	-168.3	-38	0	0	0	0	113.8	R8 A9 V11 Y182 P184	R8-T13 HydrophobicContact CB-CG2 4.02Å; A9-T13 PolarHBondContact O-OG1 3.41Å; V11-T13 PolarHBondContact O-N 3.25Å; T13-Y182 HydrophobicContact CG2-CE1 4.31Å; T13-Y182 WeakPolarHBondContact O-CE1 3.5Å; T13-P184 HydrophobicContact CG2-CB 4.18Å
14	E	98.6	Very high	98.1	Very high	63 Å²	63	73.7 Å²	73.7	29%	0.294	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112	14.2	-172.1	-59.6	-63.1	160.4	0	0	112.3	R8 Y12 N16 T17 H18 P184	R8-E14 IonicContact NH1-OE1 3.9Å; R8-E14 PolarHBondContact NH1-OE1 3.35Å; Y12-E14 VanDerWaalsContact C-N 3.31Å; Y12-E14 PolarHBondContact O-N 3.44Å; Y12-E14 VanDerWaalsContact O-N 3.16Å; E14-N16 VanDerWaalsContact C-N 3.31Å; E14-N16 PolarHBondContact O-N 3.28Å; E14-T17 WeakPolarHBondContact O-CB 3.5Å; E14-T17 PolarHBondContact O-N 3.16Å; E14-T17 VanDerWaalsContact O-N 3.13Å; E14-T17 WeakPolarHBondContact OE2-CB 3.44Å; E14-T17 PolarHBondContact OE2-OG1 2.74Å; E14-H18 PolarHBondContact O-N 3.24Å; E14-H18 VanDerWaalsContact O-N 3.17Å; E14-H18 PolarHBondContact O-ND1 3.48Å; E14-P184 WeakPolarHBondContact OE1-CG 3.42Å; E14-P184 WeakPolarHBondContact OE2-CG 3.38Å
15	V	98.5	Very high	98.3	Very high	34 Å²	34	71.8 Å²	71.8	21%	0.206	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-40	-173.2	-64.1	0	0	0	0	112.1	Y12 H18 R19	Y12-V15 HydrophobicContact CD1-CG1 4.28Å; Y12-V15 WeakPolarHBondContact O-CG1 3.28Å; Y12-V15 VanDerWaalsContact O-CG2 3.28Å; Y12-V15 WeakPolarHBondContact O-CG2 3.32Å; Y12-V15 PolarHBondContact O-N 3.17Å; V15-H18 PolarHBondContact O-N 3.35Å; V15-R19 WeakPolarHBondContact O-CG 3.04Å; V15-R19 PolarHBondContact O-N 3.13Å
16	N	98.6	Very high	98.4	Very high	2 Å²	2	69.6 Å²	69.6	1%	0.011	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-31.5	177.2	-71.7	-34	0	0	0	112.5	E14 H18 R19 Y23 W24 G151 Y182	E14-N16 VanDerWaalsContact C-N 3.31Å; E14-N16 PolarHBondContact O-N 3.28Å; N16-H18 PolarHBondContact O-N 2.84Å; N16-R19 PolarHBondContact O-N 3.41Å; N16-R19 VanDerWaalsContact O-N 3.12Å; N16-Y23 VanDerWaalsContact OD1-CE1 3.28Å; N16-Y23 WeakPolarHBondContact OD1-CE1 3.34Å; N16-W24 HydrophobicContact CB-CG 4.4Å; N16-W24 VanDerWaalsContact O-CD1 3.3Å; N16-W24 PolarHBondContact O-NE1 3.31Å; N16-W24 VanDerWaalsContact O-NE1 3.16Å; N16-G151 PolarHBondContact ND2-O 3.3Å; N16-Y182 PolarHBondContact ND2-N 2.89Å; N16-Y182 PolarHBondContact ND2-O 3.11Å
17	T	97.9	Very high	98.4	Very high	83 Å²	83	69.8 Å²	69.8	51%	0.509	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-35.6	174.8	-48.7	0	0	0	0	111.2	E14	E14-T17 WeakPolarHBondContact O-CB 3.5Å; E14-T17 PolarHBondContact O-N 3.16Å; E14-T17 VanDerWaalsContact O-N 3.13Å; E14-T17 WeakPolarHBondContact OE2-CB 3.44Å; E14-T17 PolarHBondContact OE2-OG1 2.74Å
18	H	98.3	Very high	98.3	Very high	155 Å²	155	72.4 Å²	72.4	72%	0.718	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-2.5	178.3	-59.3	117.8	0	0	0	114.3	E14 V15 N16	E14-H18 PolarHBondContact O-N 3.24Å; E14-H18 VanDerWaalsContact O-N 3.17Å; E14-H18 PolarHBondContact O-ND1 3.48Å; V15-H18 PolarHBondContact O-N 3.35Å; N16-H18 PolarHBondContact O-N 2.84Å
19	R	98.3	Very high	98.3	Very high	105 Å²	105	67.2 Å²	67.2	40%	0.396	32%	0.319	S	S	.	.	S	Bend	trans	-91.1	152.4	177.1	-69.7	-80.5	-172.6	176.6	5.9	110.3	V15 N16 Y23	V15-R19 WeakPolarHBondContact O-CG 3.04Å; V15-R19 PolarHBondContact O-N 3.13Å; N16-R19 PolarHBondContact O-N 3.41Å; N16-R19 VanDerWaalsContact O-N 3.12Å; R19-Y23 HydrophobicContact CB-CD1 3.82Å; R19-Y23 HydrophobicContact CB-CG 3.85Å; R19-Y23 HydrophobicContact CG-CD1 3.81Å; R19-Y23 HydrophobicContact CG-CE1 4.14Å; R19-Y23 HydrophobicContact CG-CG 4.03Å
20	P	98.4	Very high	98.2	Very high	82 Å²	82	72.8 Å²	72.8	53%	0.532	35%	0.352	S	S	.	.			trans	-52.6	146.1	168	-22.9	33.1	0	0	0	110.6	E22 Y23	P20-E22 WeakPolarHBondContact CB-OE2 3.43Å; P20-E22 PolarHBondContact O-N 3.07Å; P20-E22 VanDerWaalsContact O-N 3.14Å; P20-Y23 WeakPolarHBondContact O-CB 3.29Å; P20-Y23 PolarHBondContact O-N 3.14Å
21	R	98.1	Very high	98.1	Very high	159 Å²	159	68.7 Å²	68.7	60%	0.6	34%	0.339	S	S	*	.	H	α-helix	trans	-55.6	-36.2	-176.8	179	176.1	172.4	168.9	0.1	111.9	Y23 W24 D25	R21-Y23 PolarHBondContact O-N 2.83Å; R21-Y23 VanDerWaalsContact O-N 3.11Å; R21-W24 HydrophobicContact CB-CZ2 4.36Å; R21-W24 HydrophobicContact CG-CH2 4.12Å; R21-W24 HydrophobicContact CG-CZ2 4.01Å; R21-W24 PolarHBondContact O-N 3.18Å; R21-D25 HydrophobicContact CG-CB 3.8Å; R21-D25 IonicContact CZ-OD2 4Å; R21-D25 VanDerWaalsContact CZ-OD2 3.3Å; R21-D25 IonicContact NE-OD2 2.86Å; R21-D25 PolarHBondContact NE-OD2 2.78Å; R21-D25 IonicContact NH2-OD2 3.96Å; R21-D25 PolarHBondContact NH2-OD2 2.77Å; R21-D25 WeakPolarHBondContact O-CB 3.45Å; R21-D25 PolarHBondContact O-N 3.34Å
22	E	98	Very high	98	Very high	124 Å²	124	74.9 Å²	74.9	58%	0.579	37%	0.365	S	S	*	.	H	α-helix	trans	-64.1	-15.6	-179.8	-54.2	71.2	-151.1	0	0	112.9	P20 K83	P20-E22 WeakPolarHBondContact CB-OE2 3.43Å; P20-E22 PolarHBondContact O-N 3.07Å; P20-E22 VanDerWaalsContact O-N 3.14Å; E22-K83 WeakPolarHBondContact O-CE 3.46Å; E22-K83 PolarHBondContact O-NZ 3.16Å; E22-K83 VanDerWaalsContact O-NZ 3.07Å
23	Y	98.7	Very high	98	Very high	22 Å²	22	75.8 Å²	75.8	9%	0.086	37%	0.368	C	S	.	.	H	α-helix	trans	-69.1	-45.2	175.9	-177.7	-96.4	0	0	0	111.8	N16 R19 P20 R21 K83 N87 M150 F181	N16-Y23 VanDerWaalsContact OD1-CE1 3.28Å; N16-Y23 WeakPolarHBondContact OD1-CE1 3.34Å; R19-Y23 HydrophobicContact CB-CD1 3.82Å; R19-Y23 HydrophobicContact CB-CG 3.85Å; R19-Y23 HydrophobicContact CG-CD1 3.81Å; R19-Y23 HydrophobicContact CG-CE1 4.14Å; R19-Y23 HydrophobicContact CG-CG 4.03Å; P20-Y23 WeakPolarHBondContact O-CB 3.29Å; P20-Y23 PolarHBondContact O-N 3.14Å; R21-Y23 PolarHBondContact O-N 2.83Å; R21-Y23 VanDerWaalsContact O-N 3.11Å; Y23-K83 WeakPolarHBondContact O-CE 3Å; Y23-N87 HydrophobicContact CE2-CB 3.96Å; Y23-N87 WeakPolarHBondContact CE2-ND2 3.44Å; Y23-N87 PolarHBondContact O-ND2 3.24Å; Y23-M150 WeakPolarHBondContact CE1-O 3.26Å; Y23-M150 HydrophobicContact CE2-CE 4.34Å; Y23-M150 WeakPolarHBondContact OH-CE 3.24Å; Y23-M150 PolarHBondContact OH-O 2.84Å; Y23-F181 HydrophobicContact CD1-CE1 4.16Å; Y23-F181 HydrophobicContact CE1-CD1 4.3Å; Y23-F181 AromaticContact CE1-CE1 3.89Å; Y23-F181 HydrophobicContact CE1-CE1 3.89Å; Y23-F181 WeakPolarHBondContact O-CZ 3.42Å
24	W	98.4	Very high	97.9	Very high	76 Å²	76	75.6 Å²	75.6	29%	0.288	37%	0.372	S	S	.	.	H	α-helix	trans	-114.5	-19.5	-172	54.7	-101.6	0	0	0	113.8	N16 R21 Y26 F181 H183	N16-W24 HydrophobicContact CB-CG 4.4Å; N16-W24 VanDerWaalsContact O-CD1 3.3Å; N16-W24 PolarHBondContact O-NE1 3.31Å; N16-W24 VanDerWaalsContact O-NE1 3.16Å; R21-W24 HydrophobicContact CB-CZ2 4.36Å; R21-W24 HydrophobicContact CG-CH2 4.12Å; R21-W24 HydrophobicContact CG-CZ2 4.01Å; R21-W24 PolarHBondContact O-N 3.18Å; W24-Y26 WeakPolarHBondContact O-CD1 3.48Å; W24-Y26 PolarHBondContact O-N 2.73Å; W24-F181 HydrophobicContact CB-CB 4.21Å; W24-F181 HydrophobicContact CB-CD1 3.7Å; W24-F181 HydrophobicContact CB-CD2 4.32Å; W24-F181 HydrophobicContact CB-CE1 4.11Å; W24-F181 HydrophobicContact CB-CG 3.81Å; W24-H183 AromaticContact CD2-CE1 3.51Å; W24-H183 AromaticContact CD2-NE2 3.91Å; W24-H183 AromaticContact CE2-CE1 4Å; W24-H183 AromaticContact CE3-CE1 3.74Å; W24-H183 AromaticContact CE3-NE2 3.79Å; W24-H183 AromaticContact CG-CE1 3.65Å
25	D	98.3	Very high	97.9	Very high	23 Å²	23	75.6 Å²	75.6	12%	0.123	37%	0.374	C	S	.	.			trans	-75.7	69.1	175	-171	-10.3	0	0	0	111.1	R21 E27 S28	R21-D25 HydrophobicContact CG-CB 3.8Å; R21-D25 IonicContact CZ-OD2 4Å; R21-D25 VanDerWaalsContact CZ-OD2 3.3Å; R21-D25 IonicContact NE-OD2 2.86Å; R21-D25 PolarHBondContact NE-OD2 2.78Å; R21-D25 IonicContact NH2-OD2 3.96Å; R21-D25 PolarHBondContact NH2-OD2 2.77Å; R21-D25 WeakPolarHBondContact O-CB 3.45Å; R21-D25 PolarHBondContact O-N 3.34Å; D25-E27 PolarHBondContact O-N 3.26Å; D25-E27 PolarHBondContact OD1-N 3.48Å; D25-S28 PolarHBondContact O-N 2.82Å; D25-S28 PolarHBondContact O-OG 3.34Å; D25-S28 PolarHBondContact OD1-N 3.4Å
26	Y	98.2	Very high	97.8	Very high	36 Å²	36	74.9 Å²	74.9	14%	0.141	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-17.3	-178.9	61.9	-102.5	0	0	0	113.1	W24 S28 H29 K76 K79 R80 F181	W24-Y26 WeakPolarHBondContact O-CD1 3.48Å; W24-Y26 PolarHBondContact O-N 2.73Å; Y26-S28 VanDerWaalsContact C-N 3.33Å; Y26-H29 WeakPolarHBondContact O-CB 3.21Å; Y26-H29 PolarHBondContact O-N 3.36Å; Y26-K76 HydrophobicContact CE2-CB 4.45Å; Y26-K79 VanDerWaalsContact O-CB 3.26Å; Y26-K79 WeakPolarHBondContact O-CB 3.26Å; Y26-K79 VanDerWaalsContact O-CD 3.28Å; Y26-K79 WeakPolarHBondContact O-CD 3.28Å; Y26-R80 HydrophobicContact CD1-CB 4.07Å; Y26-R80 HydrophobicContact CD1-CG 3.85Å; Y26-R80 HydrophobicContact CD2-CB 3.66Å; Y26-R80 HydrophobicContact CD2-CG 4.34Å; Y26-R80 HydrophobicContact CE1-CB 4.27Å; Y26-R80 HydrophobicContact CE1-CG 3.93Å; Y26-R80 HydrophobicContact CE2-CB 3.93Å; Y26-R80 HydrophobicContact CE2-CG 4.47Å; Y26-R80 HydrophobicContact CG-CB 3.78Å; Y26-R80 HydrophobicContact CG-CG 4.07Å; Y26-F181 AromaticContact CD1-CD2 3.84Å; Y26-F181 HydrophobicContact CD1-CD2 3.84Å; Y26-F181 AromaticContact CD1-CE2 3.91Å; Y26-F181 HydrophobicContact CD1-CE2 3.91Å; Y26-F181 HydrophobicContact CE1-CD2 4.34Å
27	E	97	Very high	97.8	Very high	101 Å²	101	79.4 Å²	79.4	47%	0.472	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-34.9	178.5	-62.9	-159.7	-174.2	0	0	111	D25 H29 K76 K79	D25-E27 PolarHBondContact O-N 3.26Å; D25-E27 PolarHBondContact OD1-N 3.48Å; E27-H29 VanDerWaalsContact C-N 3.35Å; E27-K76 HydrophobicContact CG-CB 4.49Å; E27-K79 PolarHBondContact O-NZ 2.98Å
28	S	97.1	Very high	97.8	Very high	63 Å²	63	78.2 Å²	78.2	44%	0.441	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-21.2	174.1	75.5	0	0	0	0	114	D25 Y26 V30	D25-S28 PolarHBondContact O-N 2.82Å; D25-S28 PolarHBondContact O-OG 3.34Å; D25-S28 PolarHBondContact OD1-N 3.4Å; Y26-S28 VanDerWaalsContact C-N 3.33Å; S28-V30 PolarHBondContact O-N 3.41Å
29	H	97.7	Very high	97.8	Very high	30 Å²	30	71.3 Å²	71.3	14%	0.139	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-58.3	131.5	-174.5	179.6	60.5	0	0	0	112.8	Y26 E27 K79 E86	Y26-H29 WeakPolarHBondContact O-CB 3.21Å; Y26-H29 PolarHBondContact O-N 3.36Å; E27-H29 VanDerWaalsContact C-N 3.35Å; H29-K79 WeakPolarHBondContact O-CD 3.39Å; H29-K79 WeakPolarHBondContact O-CE 3.42Å; H29-K79 PolarHBondContact O-NZ 3.47Å; H29-E86 IonicContact CE1-OE1 2.63Å; H29-E86 IonicContact CE1-OE2 3.14Å; H29-E86 PolarHBondContact CE1-OE2 2.96Å; H29-E86 IonicContact NE2-OE1 2.7Å; H29-E86 IonicContact NE2-OE2 2.76Å; H29-E86 PolarHBondContact NE2-OE2 3.29Å
30	V	97.3	Very high	97.8	Very high	121 Å²	121	72.4 Å²	72.4	73%	0.733	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-98.5	119.6	177.1	-179.6	0	0	0	0	108	S28	S28-V30 PolarHBondContact O-N 3.41Å
31	V	96.8	Very high	97.8	Very high	18 Å²	18	71.9 Å²	71.9	11%	0.109	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-94.2	121.9	-179.2	179.3	0	0	0	0	108.9	W33 K79 I82 I100	V31-W33 HydrophobicContact CB-CZ2 3.99Å; V31-W33 HydrophobicContact CG1-CD2 3.88Å; V31-W33 VanDerWaalsContact CG1-CE2 3.5Å; V31-W33 HydrophobicContact CG1-CE3 4.3Å; V31-W33 HydrophobicContact CG1-CG 4.39Å; V31-W33 HydrophobicContact CG1-CH2 4.14Å; V31-W33 HydrophobicContact CG1-CZ2 3.67Å; V31-W33 HydrophobicContact CG1-CZ3 4.42Å; V31-W33 HydrophobicContact CG2-CZ2 4.49Å; V31-W33 PolarHBondContact O-NE1 3.32Å; V31-K79 HydrophobicContact CG2-CG 4.44Å; V31-I82 HydrophobicContact CG1-CD1 3.9Å; V31-I82 HydrophobicContact CG2-CD1 3.8Å; V31-I82 HydrophobicContact CG2-CG2 4.33Å; V31-I100 HydrophobicContact CG1-CB 4.41Å; V31-I100 HydrophobicContact CG1-CD1 4.23Å; V31-I100 HydrophobicContact CG1-CG2 3.65Å
32	E	96.8	Very high	97.7	Very high	174 Å²	174	68 Å²	68	81%	0.813	35%	0.347	S	S	*	.	P	Polyproline II helix	trans	-78.8	123.1	166.6	-63.6	-174.1	174.7	0	0	108.7
33	W	97.8	Very high	97.7	Very high	89 Å²	89	68.8 Å²	68.8	34%	0.337	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-103.1	118.5	-175.3	-63.4	90.8	0	0	0	110	V31 I78 I82 I100 K102 P109	V31-W33 HydrophobicContact CB-CZ2 3.99Å; V31-W33 HydrophobicContact CG1-CD2 3.88Å; V31-W33 VanDerWaalsContact CG1-CE2 3.5Å; V31-W33 HydrophobicContact CG1-CE3 4.3Å; V31-W33 HydrophobicContact CG1-CG 4.39Å; V31-W33 HydrophobicContact CG1-CH2 4.14Å; V31-W33 HydrophobicContact CG1-CZ2 3.67Å; V31-W33 HydrophobicContact CG1-CZ3 4.42Å; V31-W33 HydrophobicContact CG2-CZ2 4.49Å; V31-W33 PolarHBondContact O-NE1 3.32Å; W33-I78 HydrophobicContact CH2-CG2 4.19Å; W33-I82 HydrophobicContact CH2-CD1 4.28Å; W33-I100 WeakPolarHBondContact CA-O 3.41Å; W33-I100 HydrophobicContact CD2-CG2 4.45Å; W33-I100 HydrophobicContact CE3-CG2 3.66Å; W33-I100 HydrophobicContact CH2-CG2 4.11Å; W33-I100 HydrophobicContact CZ3-CG2 3.47Å; W33-I100 VanDerWaalsContact CZ3-CG2 3.47Å; W33-K102 HydrophobicContact CB-CD 4.3Å; W33-K102 HydrophobicContact CD2-CD 3.57Å; W33-K102 HydrophobicContact CD2-CG 3.92Å; W33-K102 HydrophobicContact CE3-CB 4.36Å; W33-K102 HydrophobicContact CE3-CD 3.72Å; W33-K102 HydrophobicContact CE3-CG 3.5Å; W33-K102 VanDerWaalsContact CE3-CG 3.5Å; W33-K102 HydrophobicContact CG-CD 3.81Å; W33-K102 HydrophobicContact CG-CG 4.42Å; W33-K102 HydrophobicContact CZ3-CD 4.31Å; W33-K102 HydrophobicContact CZ3-CG 3.94Å; W33-K102 VanDerWaalsContact NE1-NZ 3.11Å; W33-P109 HydrophobicContact CE3-CB 4.42Å; W33-P109 HydrophobicContact CH2-CB 3.48Å; W33-P109 VanDerWaalsContact CH2-CB 3.48Å; W33-P109 HydrophobicContact CZ3-CB 3.35Å
34	G	97.9	Very high	97.6	Very high	27 Å²	27	72.6 Å²	72.6	28%	0.278	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	179.1	167.2	0	0	0	0	0	113.1	I100 V101 K102	G34-I100 PolarHBondContact N-O 2.74Å; G34-V101 WeakPolarHBondContact O-CA 3.43Å; G34-K102 PolarHBondContact O-N 3.24Å; G34-K102 VanDerWaalsContact O-N 3.16Å
35	N	97.4	Very high	97.4	Very high	64 Å²	64	72.5 Å²	72.5	34%	0.342	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	125.1	-179.7	-170	2.7	0	0	0	111.1	D37 D38	N35-D37 PolarHBondContact O-N 3.45Å; N35-D37 PolarHBondContact OD1-N 3Å; N35-D37 VanDerWaalsContact OD1-N 3.17Å; N35-D38 PolarHBondContact O-N 2.99Å
36	Q	97	Very high	97.1	Very high	19 Å²	19	72.8 Å²	72.8	9%	0.089	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-68.5	-21.7	178.5	-168.8	178.1	-54.8	0	0	112.7	D38 F39 V101 K102	Q36-D38 PolarHBondContact O-N 3.2Å; Q36-D38 VanDerWaalsContact O-N 3.13Å; Q36-F39 PolarHBondContact O-N 3.4Å; Q36-V101 HydrophobicContact CB-CB 4.15Å; Q36-V101 HydrophobicContact CB-CG2 3.85Å; Q36-V101 HydrophobicContact CG-CG2 3.93Å; Q36-K102 WeakPolarHBondContact CB-O 3.2Å; Q36-K102 PolarHBondContact N-O 3.32Å
37	D	97.7	Very high	96.8	Very high	96 Å²	96	79.7 Å²	79.7	51%	0.513	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-64.2	-15.7	178.4	-66.7	-11.8	0	0	0	113.2	N35 F39 I59 P104	N35-D37 PolarHBondContact O-N 3.45Å; N35-D37 PolarHBondContact OD1-N 3Å; N35-D37 VanDerWaalsContact OD1-N 3.17Å; D37-F39 PolarHBondContact O-N 2.81Å; D37-I59 WeakPolarHBondContact O-CD1 3.24Å; D37-P104 WeakPolarHBondContact OD2-CG 3.25Å
38	D	98	Very high	96.3	Very high	58 Å²	58	76.4 Å²	76.4	31%	0.31	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-70.3	-5.7	172.6	-61.2	-24.2	0	0	0	112.4	N35 Q36 N58 I59 T60	N35-D38 PolarHBondContact O-N 2.99Å; Q36-D38 PolarHBondContact O-N 3.2Å; Q36-D38 VanDerWaalsContact O-N 3.13Å; D38-N58 WeakPolarHBondContact O-CA 3.43Å; D38-I59 WeakPolarHBondContact O-CG1 3.19Å; D38-I59 PolarHBondContact O-N 3.49Å; D38-T60 HydrophobicContact CB-CG2 4.48Å
39	F	98.5	Very high	95.9	Very high	11 Å²	11	81.1 Å²	81.1	5%	0.048	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	112.9	-175.3	-58.2	-82.9	0	0	0	112.1	Q36 D37 I57 N58 V65 V67 D99 V101 V112	Q36-F39 PolarHBondContact O-N 3.4Å; D37-F39 PolarHBondContact O-N 2.81Å; F39-I57 WeakPolarHBondContact CA-O 3.31Å; F39-N58 HydrophobicContact CD1-CB 3.85Å; F39-N58 HydrophobicContact CE1-CB 3.67Å; F39-V65 HydrophobicContact CD1-CG2 3.71Å; F39-V65 HydrophobicContact CE1-CG2 4.09Å; F39-V67 HydrophobicContact CB-CG2 4.31Å; F39-D99 HydrophobicContact CZ-CB 4.2Å; F39-V101 HydrophobicContact CD2-CG1 4.19Å; F39-V101 HydrophobicContact CE2-CG1 3.71Å; F39-V112 HydrophobicContact CD1-CG1 4.09Å; F39-V112 HydrophobicContact CD2-CG2 4.23Å; F39-V112 HydrophobicContact CE1-CB 4.48Å; F39-V112 HydrophobicContact CE1-CG1 3.6Å; F39-V112 HydrophobicContact CE1-CG2 4.28Å; F39-V112 HydrophobicContact CE2-CG2 3.98Å; F39-V112 HydrophobicContact CZ-CB 4.39Å; F39-V112 HydrophobicContact CZ-CG1 3.96Å; F39-V112 HydrophobicContact CZ-CG2 3.98Å
40	Q	98.3	Very high	95.6	Very high	128 Å²	128	84 Å²	84	60%	0.598	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.8	115	175.2	-172	178.3	17.3	0	0	110.5	V42 A56 I57 I59	Q40-V42 PolarHBondContact O-N 2.65Å; Q40-A56 CarbonylContact O-C 3.58Å; Q40-A56 WeakPolarHBondContact O-CA 3.28Å; Q40-A56 VanDerWaalsContact O-CB 3.29Å; Q40-A56 WeakPolarHBondContact O-CB 3.49Å; Q40-I57 PolarHBondContact N-O 2.86Å; Q40-I57 PolarHBondContact O-N 3.45Å; Q40-I59 HydrophobicContact CB-CG2 3.95Å
41	L	98.1	Very high	95.5	Very high	70 Å²	70	78.6 Å²	78.6	37%	0.366	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	128.9	175.8	-54.3	-175.4	0	0	0	110.6	F54 A56 V67 I69	L41-F54 HydrophobicContact CD1-CD1 4.34Å; L41-F54 HydrophobicContact CD1-CD2 4.46Å; L41-F54 HydrophobicContact CD1-CG 4.27Å; L41-F54 HydrophobicContact CD2-CB 3.99Å; L41-F54 HydrophobicContact CD2-CG 4.39Å; L41-A56 HydrophobicContact CD2-CB 3.99Å; L41-V67 HydrophobicContact CD2-CB 3.97Å; L41-V67 HydrophobicContact CD2-CG1 4.17Å; L41-V67 HydrophobicContact CD2-CG2 4.11Å; L41-I69 HydrophobicContact CD1-CD1 4.13Å
42	V	97.8	Very high	95.5	Very high	79 Å²	79	80.1 Å²	80.1	48%	0.479	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	-58.1	-178.4	177.1	0	0	0	0	110.8	Q40 E55 I57	Q40-V42 PolarHBondContact O-N 2.65Å; V42-E55 HydrophobicContact CB-CG 4.49Å; V42-E55 WeakPolarHBondContact CB-O 3.5Å; V42-E55 PolarHBondContact N-O 2.94Å; V42-I57 HydrophobicContact CG2-CD1 4.14Å; V42-I57 HydrophobicContact CG2-CG1 3.89Å
43	R	97.3	Very high	95.5	Very high	139 Å²	139	73.5 Å²	73.5	53%	0.525	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	153.1	-179.1	64.1	175.3	179.4	105.9	7.9	111.7	L45 F54 E55	R43-L45 HydrophobicContact CG-CD2 4.46Å; R43-L45 VanDerWaalsContact NH1-CD2 3.31Å; R43-F54 CarbonylContact O-C 3.19Å; R43-F54 VanDerWaalsContact O-CA 3.27Å; R43-F54 WeakPolarHBondContact O-CA 3.34Å; R43-E55 HydrophobicContact CG-CB 3.99Å; R43-E55 IonicContact CZ-OE2 2.79Å; R43-E55 PolarHBondContact N-O 3.47Å; R43-E55 IonicContact NE-OE2 3.43Å; R43-E55 PolarHBondContact NE-OE2 3.28Å; R43-E55 IonicContact NH2-OE2 3.66Å; R43-E55 PolarHBondContact NH2-OE2 3.02Å; R43-E55 PolarHBondContact O-N 3.05Å
44	K	97	Very high	95.6	Very high	102 Å²	102	70.8 Å²	70.8	44%	0.443	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	127.8	174.1	-166.1	171.4	-170.8	163.6	0	110.2	E52 F54	K44-E52 IonicContact NZ-OE1 3.75Å; K44-E52 PolarHBondContact NZ-OE1 3.49Å; K44-F54 HydrophobicContact CB-CD1 3.89Å; K44-F54 HydrophobicContact CB-CE1 3.73Å; K44-F54 HydrophobicContact CD-CE1 4.18Å; K44-F54 HydrophobicContact CD-CZ 4.28Å; K44-F54 HydrophobicContact CG-CD1 4.19Å; K44-F54 HydrophobicContact CG-CE1 3.83Å; K44-F54 HydrophobicContact CG-CZ 4.18Å
45	L	93.9	Very high	95.6	Very high	74 Å²	74	70 Å²	70	39%	0.387	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	-35.6	176.1	-62.1	179.4	0	0	0	111.7	R43 V53 E55 V66	R43-L45 HydrophobicContact CG-CD2 4.46Å; R43-L45 VanDerWaalsContact NH1-CD2 3.31Å; L45-V53 HydrophobicContact CB-CG1 4.33Å; L45-V53 HydrophobicContact CD1-CG1 4.36Å; L45-V53 PolarHBondContact N-O 3.26Å; L45-E55 HydrophobicContact CD1-CB 4.14Å; L45-E55 HydrophobicContact CD2-CB 4.08Å; L45-E55 HydrophobicContact CG-CB 4.16Å; L45-V66 HydrophobicContact CD1-CG1 4.24Å; L45-V66 HydrophobicContact CD1-CG2 4.05Å
46	G	91.6	Very high	95.6	Very high	29 Å²	29	67 Å²	67	30%	0.299	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.5	172.3	-176	0	0	0	0	0	114.3	V53	G46-V53 PolarHBondContact N-O 3.16Å; G46-V53 PolarHBondContact O-N 3.24Å
47	R	92.1	Very high	95.7	Very high	182 Å²	182	68.1 Å²	68.1	69%	0.687	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.4	117.5	177.5	-170.6	179.9	-163.3	-150.5	-3.7	109.5	E52	R47-E52 HydrophobicContact CG-CG 4.25Å; R47-E52 IonicContact NE-OE1 3.03Å; R47-E52 PolarHBondContact NE-OE1 2.91Å; R47-E52 VanDerWaalsContact NE-OE1 3.11Å
48	G	87.5	Confident	95.7	Very high	31 Å²	31	64.3 Å²	64.3	32%	0.32	31%	0.31	S	S	.	.			trans	-98.3	176	173.5	0	0	0	0	0	112.3	Y50 S51 K71	G48-Y50 VanDerWaalsContact C-N 3.26Å; G48-Y50 PolarHBondContact O-N 3.16Å; G48-S51 PolarHBondContact N-O 3.03Å; G48-K71 PolarHBondContact O-NZ 2.99Å
49	K	86.9	Confident	95.7	Very high	163 Å²	163	66.3 Å²	66.3	71%	0.709	32%	0.32	S	S	*	.	S	Bend	trans	-60.4	-38.7	171.9	-176.9	174.7	178.4	-174.8	0	111.8	K71	K49-K71 WeakPolarHBondContact O-CD 3.44Å
50	Y	91.3	Very high	95.6	Very high	91 Å²	91	70.5 Å²	70.5	36%	0.357	35%	0.346	S	S	.	.	S	Bend	trans	-112.2	-1.2	-172.6	-56.8	-68.2	0	0	0	114.3	G48 K71 V73 K77	G48-Y50 VanDerWaalsContact C-N 3.26Å; G48-Y50 PolarHBondContact O-N 3.16Å; Y50-K71 WeakPolarHBondContact O-CB 3.49Å; Y50-K71 PolarHBondContact O-N 3.33Å; Y50-V73 HydrophobicContact CD1-CG1 3.67Å; Y50-V73 HydrophobicContact CE1-CG1 4.46Å; Y50-V73 HydrophobicContact CG-CG1 4.43Å; Y50-K77 VanDerWaalsContact CD2-NZ 3.34Å; Y50-K77 VanDerWaalsContact CE2-NZ 3.32Å
51	S	95.3	Very high	95.6	Very high	6 Å²	6	68 Å²	68	4%	0.042	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	165.7	-175.4	59.1	0	0	0	0	113.2	G48 K68 I69	G48-S51 PolarHBondContact N-O 3.03Å; S51-K68 WeakPolarHBondContact OG-CE 3.37Å; S51-I69 CarbonylContact C-O 3.59Å; S51-I69 WeakPolarHBondContact CA-O 3.34Å; S51-I69 VanDerWaalsContact CB-O 3.28Å; S51-I69 WeakPolarHBondContact CB-O 3.29Å
52	E	97.3	Very high	95.5	Very high	51 Å²	51	70.9 Å²	70.9	24%	0.238	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	137.1	163	-54.3	-158.6	109.8	0	0	108.1	K44 R47 F54 K68 I69	K44-E52 IonicContact NZ-OE1 3.75Å; K44-E52 PolarHBondContact NZ-OE1 3.49Å; R47-E52 HydrophobicContact CG-CG 4.25Å; R47-E52 IonicContact NE-OE1 3.03Å; R47-E52 PolarHBondContact NE-OE1 2.91Å; R47-E52 VanDerWaalsContact NE-OE1 3.11Å; E52-F54 HydrophobicContact CB-CE2 3.64Å; E52-F54 HydrophobicContact CB-CZ 4.24Å; E52-K68 CarbonylContact O-C 3.53Å; E52-I69 PolarHBondContact N-O 3.29Å; E52-I69 PolarHBondContact O-N 2.96Å
53	V	97.7	Very high	95.5	Very high	35 Å²	35	72.5 Å²	72.5	21%	0.212	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	133	-170.2	-173.5	0	0	0	0	109.4	L45 G46 V66 V67 K68	L45-V53 HydrophobicContact CB-CG1 4.33Å; L45-V53 HydrophobicContact CD1-CG1 4.36Å; L45-V53 PolarHBondContact N-O 3.26Å; G46-V53 PolarHBondContact N-O 3.16Å; G46-V53 PolarHBondContact O-N 3.24Å; V53-V66 HydrophobicContact CG1-CG1 3.39Å; V53-V67 WeakPolarHBondContact CA-O 3.39Å; V53-K68 HydrophobicContact CG2-CB 4.46Å; V53-K68 HydrophobicContact CG2-CG 4.19Å
54	F	98.2	Very high	95.5	Very high	32 Å²	32	71.4 Å²	71.4	14%	0.14	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	144.2	-175.1	-62.6	-95.8	0	0	0	110.9	L41 R43 K44 E52 V66 V67 I69	L41-F54 HydrophobicContact CD1-CD1 4.34Å; L41-F54 HydrophobicContact CD1-CD2 4.46Å; L41-F54 HydrophobicContact CD1-CG 4.27Å; L41-F54 HydrophobicContact CD2-CB 3.99Å; L41-F54 HydrophobicContact CD2-CG 4.39Å; R43-F54 CarbonylContact O-C 3.19Å; R43-F54 VanDerWaalsContact O-CA 3.27Å; R43-F54 WeakPolarHBondContact O-CA 3.34Å; K44-F54 HydrophobicContact CB-CD1 3.89Å; K44-F54 HydrophobicContact CB-CE1 3.73Å; K44-F54 HydrophobicContact CD-CE1 4.18Å; K44-F54 HydrophobicContact CD-CZ 4.28Å; K44-F54 HydrophobicContact CG-CD1 4.19Å; K44-F54 HydrophobicContact CG-CE1 3.83Å; K44-F54 HydrophobicContact CG-CZ 4.18Å; E52-F54 HydrophobicContact CB-CE2 3.64Å; E52-F54 HydrophobicContact CB-CZ 4.24Å; F54-V66 CarbonylContact O-C 3.58Å; F54-V66 WeakPolarHBondContact O-CA 3.4Å; F54-V67 PolarHBondContact N-O 3.09Å; F54-V67 PolarHBondContact O-N 2.69Å; F54-I69 HydrophobicContact CD2-CD1 3.97Å; F54-I69 HydrophobicContact CD2-CG1 4.23Å; F54-I69 HydrophobicContact CE2-CD1 3.75Å; F54-I69 HydrophobicContact CE2-CG1 4.26Å
55	E	98.1	Very high	95.6	Very high	11 Å²	11	66.6 Å²	66.6	5%	0.051	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	137	158	-179.8	177.3	172.4	0	0	107	V42 R43 L45 K64	V42-E55 HydrophobicContact CB-CG 4.49Å; V42-E55 WeakPolarHBondContact CB-O 3.5Å; V42-E55 PolarHBondContact N-O 2.94Å; R43-E55 HydrophobicContact CG-CB 3.99Å; R43-E55 IonicContact CZ-OE2 2.79Å; R43-E55 PolarHBondContact N-O 3.47Å; R43-E55 IonicContact NE-OE2 3.43Å; R43-E55 PolarHBondContact NE-OE2 3.28Å; R43-E55 IonicContact NH2-OE2 3.66Å; R43-E55 PolarHBondContact NH2-OE2 3.02Å; R43-E55 PolarHBondContact O-N 3.05Å; L45-E55 HydrophobicContact CD1-CB 4.14Å; L45-E55 HydrophobicContact CD2-CB 4.08Å; L45-E55 HydrophobicContact CG-CB 4.16Å; E55-K64 IonicContact OE1-NZ 3.94Å; E55-K64 PolarHBondContact OE1-NZ 3.43Å
56	A	98.5	Very high	95.8	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	167	179	0	0	0	0	0	110.9	Q40 L41 V65 V67	Q40-A56 CarbonylContact O-C 3.58Å; Q40-A56 WeakPolarHBondContact O-CA 3.28Å; Q40-A56 VanDerWaalsContact O-CB 3.29Å; Q40-A56 WeakPolarHBondContact O-CB 3.49Å; L41-A56 HydrophobicContact CD2-CB 3.99Å; A56-V65 HydrophobicContact CB-CG2 3.97Å; A56-V65 PolarHBondContact N-O 3.01Å; A56-V65 PolarHBondContact O-N 2.83Å; A56-V67 HydrophobicContact CB-CB 4.47Å; A56-V67 HydrophobicContact CB-CG2 3.58Å
57	I	98.5	Very high	96.1	Very high	42 Å²	42	62.7 Å²	62.7	22%	0.215	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	129.5	171.9	-62.5	178.2	0	0	0	108	F39 Q40 V42 I59 N62 Q63	F39-I57 WeakPolarHBondContact CA-O 3.31Å; Q40-I57 PolarHBondContact N-O 2.86Å; Q40-I57 PolarHBondContact O-N 3.45Å; V42-I57 HydrophobicContact CG2-CD1 4.14Å; V42-I57 HydrophobicContact CG2-CG1 3.89Å; I57-I59 PolarHBondContact O-N 3.49Å; I57-N62 WeakPolarHBondContact CG2-OD1 3.39Å; I57-Q63 WeakPolarHBondContact CA-O 3.42Å
58	N	98.3	Very high	96.4	Very high	16 Å²	16	54.8 Å²	54.8	9%	0.086	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	114.9	166.6	-179	-28.3	0	0	0	108.4	D38 F39 T60 N61 N62 Q63	D38-N58 WeakPolarHBondContact O-CA 3.43Å; F39-N58 HydrophobicContact CD1-CB 3.85Å; F39-N58 HydrophobicContact CE1-CB 3.67Å; N58-T60 PolarHBondContact O-N 2.77Å; N58-T60 WeakPolarHBondContact OD1-CB 3.48Å; N58-T60 PolarHBondContact OD1-N 3.29Å; N58-T60 PolarHBondContact OD1-OG1 2.63Å; N58-N61 WeakPolarHBondContact CB-OD1 3.46Å; N58-N61 PolarHBondContact O-N 2.95Å; N58-N62 WeakPolarHBondContact O-CA 3.41Å; N58-N62 PolarHBondContact O-N 2.74Å; N58-Q63 PolarHBondContact N-O 2.85Å
59	I	97.6	Very high	96.9	Very high	100 Å²	100	54.8 Å²	54.8	51%	0.513	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-16.6	-172.9	63.8	174.3	0	0	0	113.1	D37 D38 Q40 I57	D37-I59 WeakPolarHBondContact O-CD1 3.24Å; D38-I59 WeakPolarHBondContact O-CG1 3.19Å; D38-I59 PolarHBondContact O-N 3.49Å; Q40-I59 HydrophobicContact CB-CG2 3.95Å; I57-I59 PolarHBondContact O-N 3.49Å
60	T	96.9	Very high	97.4	Very high	99 Å²	99	47.3 Å²	47.3	61%	0.607	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-28.6	-179.4	69.4	0	0	0	0	112.8	D38 N58	D38-T60 HydrophobicContact CB-CG2 4.48Å; N58-T60 PolarHBondContact O-N 2.77Å; N58-T60 WeakPolarHBondContact OD1-CB 3.48Å; N58-T60 PolarHBondContact OD1-N 3.29Å; N58-T60 PolarHBondContact OD1-OG1 2.63Å
61	N	97.1	Very high	97.6	Very high	76 Å²	76	45.6 Å²	45.6	41%	0.406	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-136	2.7	-174.3	65.1	20.2	0	0	0	114.1	N58 Q63	N58-N61 WeakPolarHBondContact CB-OD1 3.46Å; N58-N61 PolarHBondContact O-N 2.95Å; N61-Q63 HydrophobicContact CB-CG 4.49Å; N61-Q63 PolarHBondContact O-N 2.94Å; N61-Q63 VanDerWaalsContact OD1-CB 3.29Å; N61-Q63 WeakPolarHBondContact OD1-CB 3.48Å; N61-Q63 WeakPolarHBondContact OD1-CG 3.27Å; N61-Q63 PolarHBondContact OD1-N 3.01Å
62	N	96.8	Very high	97.6	Very high	130 Å²	130	52 Å²	52	70%	0.695	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	22.1	179.6	-151.3	32	0	0	0	114.8	I57 N58	I57-N62 WeakPolarHBondContact CG2-OD1 3.39Å; N58-N62 WeakPolarHBondContact O-CA 3.41Å; N58-N62 PolarHBondContact O-N 2.74Å
63	Q	97.4	Very high	97.4	Very high	114 Å²	114	51.6 Å²	51.6	53%	0.533	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	139.1	177.4	-67.3	-173.8	-11.7	0	0	111.6	I57 N58 N61	I57-Q63 WeakPolarHBondContact CA-O 3.42Å; N58-Q63 PolarHBondContact N-O 2.85Å; N61-Q63 HydrophobicContact CB-CG 4.49Å; N61-Q63 PolarHBondContact O-N 2.94Å; N61-Q63 VanDerWaalsContact OD1-CB 3.29Å; N61-Q63 WeakPolarHBondContact OD1-CB 3.48Å; N61-Q63 WeakPolarHBondContact OD1-CG 3.27Å; N61-Q63 PolarHBondContact OD1-N 3.01Å
64	K	97.9	Very high	97.2	Very high	115 Å²	115	57.3 Å²	57.3	50%	0.5	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	135.1	169.6	-70.5	-169.2	173.6	-149.2	0	110.5	E55 H115	E55-K64 IonicContact OE1-NZ 3.94Å; E55-K64 PolarHBondContact OE1-NZ 3.43Å; K64-H115 HydrophobicContact CB-CB 4.03Å; K64-H115 WeakPolarHBondContact O-CB 3.44Å
65	V	98.6	Very high	97.1	Very high	1 Å²	1	64.1 Å²	64.1	1%	0.006	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	170.2	178.3	-60.3	0	0	0	0	110.8	F39 A56 V67 I98 V112 F113	F39-V65 HydrophobicContact CD1-CG2 3.71Å; F39-V65 HydrophobicContact CE1-CG2 4.09Å; A56-V65 HydrophobicContact CB-CG2 3.97Å; A56-V65 PolarHBondContact N-O 3.01Å; A56-V65 PolarHBondContact O-N 2.83Å; V65-V67 HydrophobicContact CG2-CG2 4.32Å; V65-I98 HydrophobicContact CG1-CD1 3.97Å; V65-V112 HydrophobicContact CB-CG1 3.82Å; V65-V112 HydrophobicContact CG1-CG1 4.19Å; V65-V112 HydrophobicContact CG2-CG1 3.81Å; V65-F113 WeakPolarHBondContact CB-O 3.49Å
66	V	98.5	Very high	96.9	Very high	22 Å²	22	68.4 Å²	68.4	13%	0.133	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	124.7	171.8	174.4	0	0	0	0	109.5	L45 V53 F54 V112 F113	L45-V66 HydrophobicContact CD1-CG1 4.24Å; L45-V66 HydrophobicContact CD1-CG2 4.05Å; V53-V66 HydrophobicContact CG1-CG1 3.39Å; F54-V66 CarbonylContact O-C 3.58Å; F54-V66 WeakPolarHBondContact O-CA 3.4Å; V66-V112 CarbonylContact O-C 3.55Å; V66-V112 WeakPolarHBondContact O-CA 3.34Å; V66-F113 HydrophobicContact CB-CB 4.39Å; V66-F113 PolarHBondContact N-O 3.48Å; V66-F113 PolarHBondContact O-N 2.89Å
67	V	98.6	Very high	96.8	Very high	0 Å²	0	70 Å²	70	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	116.5	178.7	-179.2	0	0	0	0	109.4	F39 L41 V53 F54 A56 V65 I69 A110 V112	F39-V67 HydrophobicContact CB-CG2 4.31Å; L41-V67 HydrophobicContact CD2-CB 3.97Å; L41-V67 HydrophobicContact CD2-CG1 4.17Å; L41-V67 HydrophobicContact CD2-CG2 4.11Å; V53-V67 WeakPolarHBondContact CA-O 3.39Å; F54-V67 PolarHBondContact N-O 3.09Å; F54-V67 PolarHBondContact O-N 2.69Å; A56-V67 HydrophobicContact CB-CB 4.47Å; A56-V67 HydrophobicContact CB-CG2 3.58Å; V65-V67 HydrophobicContact CG2-CG2 4.32Å; V67-I69 HydrophobicContact CG1-CG1 4.01Å; V67-A110 HydrophobicContact CG1-CB 3.87Å; V67-V112 HydrophobicContact CG2-CG2 4.38Å
68	K	98.4	Very high	96.8	Very high	15 Å²	15	68.9 Å²	68.9	7%	0.065	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	98.4	172.9	-177.8	-179.1	177.3	-179.9	0	109	S51 E52 V53 L70 E81 A110 L111 F113 D175	S51-K68 WeakPolarHBondContact OG-CE 3.37Å; E52-K68 CarbonylContact O-C 3.53Å; V53-K68 HydrophobicContact CG2-CB 4.46Å; V53-K68 HydrophobicContact CG2-CG 4.19Å; K68-L70 HydrophobicContact CD-CD2 4.25Å; K68-L70 HydrophobicContact CG-CD2 4.13Å; K68-L70 PolarHBondContact O-N 2.86Å; K68-E81 IonicContact NZ-OE1 3.38Å; K68-E81 PolarHBondContact NZ-OE1 3.45Å; K68-E81 IonicContact NZ-OE2 3.85Å; K68-A110 VanDerWaalsContact O-CA 3.28Å; K68-A110 WeakPolarHBondContact O-CA 3.36Å; K68-L111 HydrophobicContact CB-CB 4.47Å; K68-L111 PolarHBondContact N-O 3.45Å; K68-L111 PolarHBondContact O-N 3.45Å; K68-F113 HydrophobicContact CB-CD2 4.32Å; K68-F113 HydrophobicContact CB-CE2 3.77Å; K68-F113 HydrophobicContact CD-CE2 4.1Å; K68-D175 IonicContact NZ-OD1 2.75Å; K68-D175 PolarHBondContact NZ-OD1 2.97Å
69	I	98.2	Very high	96.8	Very high	32 Å²	32	71 Å²	71	16%	0.164	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	123.8	174.6	-54.7	-178	0	0	0	108.4	L41 S51 E52 F54 V67 T108 A110	L41-I69 HydrophobicContact CD1-CD1 4.13Å; S51-I69 CarbonylContact C-O 3.59Å; S51-I69 WeakPolarHBondContact CA-O 3.34Å; S51-I69 VanDerWaalsContact CB-O 3.28Å; S51-I69 WeakPolarHBondContact CB-O 3.29Å; E52-I69 PolarHBondContact N-O 3.29Å; E52-I69 PolarHBondContact O-N 2.96Å; F54-I69 HydrophobicContact CD2-CD1 3.97Å; F54-I69 HydrophobicContact CD2-CG1 4.23Å; F54-I69 HydrophobicContact CE2-CD1 3.75Å; F54-I69 HydrophobicContact CE2-CG1 4.26Å; V67-I69 HydrophobicContact CG1-CG1 4.01Å; I69-T108 HydrophobicContact CG2-CG2 3.7Å; I69-A110 HydrophobicContact CG1-CB 4.19Å
70	L	97.1	Very high	96.8	Very high	6 Å²	6	67.6 Å²	67.6	3%	0.031	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	125.4	-176.7	-55.6	178.8	0	0	0	110.2	K68 I78 T108 P109 L111	K68-L70 HydrophobicContact CD-CD2 4.25Å; K68-L70 HydrophobicContact CG-CD2 4.13Å; K68-L70 PolarHBondContact O-N 2.86Å; L70-I78 HydrophobicContact CD1-CB 4.38Å; L70-I78 HydrophobicContact CD1-CD1 4.26Å; L70-I78 HydrophobicContact CD1-CG1 4.06Å; L70-I78 HydrophobicContact CD1-CG2 3.68Å; L70-T108 WeakPolarHBondContact O-CG2 3.27Å; L70-P109 HydrophobicContact CB-CG 4.26Å; L70-P109 WeakPolarHBondContact CB-O 3.4Å; L70-P109 HydrophobicContact CD1-CB 4.44Å; L70-P109 HydrophobicContact CD1-CG 4.35Å; L70-P109 PolarHBondContact N-O 3.31Å; L70-L111 HydrophobicContact CD1-CD1 4.46Å; L70-L111 HydrophobicContact CD1-CG 4.21Å; L70-L111 HydrophobicContact CD2-CD1 4.41Å; L70-L111 HydrophobicContact CD2-CG 4.5Å
71	K	95	Very high	96.9	Very high	54 Å²	54	63.4 Å²	63.4	24%	0.235	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-66.5	161.7	171.5	-69.1	176.3	178.7	171.9	0	110.1	G48 K49 Y50 V73	G48-K71 PolarHBondContact O-NZ 2.99Å; K49-K71 WeakPolarHBondContact O-CD 3.44Å; Y50-K71 WeakPolarHBondContact O-CB 3.49Å; Y50-K71 PolarHBondContact O-N 3.33Å; K71-V73 PolarHBondContact O-N 2.87Å
72	P	94.5	Very high	97	Very high	140 Å²	140	59.8 Å²	59.8	91%	0.909	29%	0.289	S	S	*	.	S	Bend	trans	-52.7	109.8	176.9	-28.2	36	0	0	0	112.6
73	V	93.9	Very high	97.1	Very high	44 Å²	44	54.9 Å²	54.9	27%	0.267	26%	0.262	S	S	.	.			trans	-138.3	164.1	177.5	-66.1	0	0	0	0	109.9	Y50 K71 K75 I78	Y50-V73 HydrophobicContact CD1-CG1 3.67Å; Y50-V73 HydrophobicContact CE1-CG1 4.46Å; Y50-V73 HydrophobicContact CG-CG1 4.43Å; K71-V73 PolarHBondContact O-N 2.87Å; V73-K75 PolarHBondContact O-N 3.31Å; V73-I78 HydrophobicContact CG2-CD1 3.89Å; V73-I78 HydrophobicContact CG2-CG1 3.59Å
74	K	93.9	Very high	97.1	Very high	155 Å²	155	49.5 Å²	49.5	67%	0.674	24%	0.236	S	C	*	.			trans	-58.5	132.6	177.5	-64.4	-173.7	177.7	-175.3	0	110.3	K76 K77	K74-K76 HydrophobicContact CB-CG 4.16Å; K74-K76 PolarHBondContact O-N 3.2Å; K74-K76 VanDerWaalsContact O-N 3.1Å; K74-K77 WeakPolarHBondContact O-CB 3.24Å; K74-K77 PolarHBondContact O-N 3.43Å
75	K	94.3	Very high	97.2	Very high	174 Å²	174	44 Å²	44	76%	0.757	21%	0.213	S	C	*	.	H	α-helix	trans	-50.1	-38.6	178.6	-69.6	-176.9	179.1	177.3	0	113.1	V73 K77 I78 K79	V73-K75 PolarHBondContact O-N 3.31Å; K75-K77 PolarHBondContact O-N 3.36Å; K75-I78 WeakPolarHBondContact O-CB 3.27Å; K75-I78 PolarHBondContact O-N 3.13Å; K75-I78 VanDerWaalsContact O-N 3.08Å; K75-K79 PolarHBondContact O-N 3.14Å
76	K	95.5	Very high	97.2	Very high	102 Å²	102	47.4 Å²	47.4	44%	0.443	23%	0.228	S	C	.	.	H	α-helix	trans	-57.6	-34.4	177.1	74.9	177.1	-168.4	167.1	0	113.8	Y26 E27 K74 R80	Y26-K76 HydrophobicContact CE2-CB 4.45Å; E27-K76 HydrophobicContact CG-CB 4.49Å; K74-K76 HydrophobicContact CB-CG 4.16Å; K74-K76 PolarHBondContact O-N 3.2Å; K74-K76 VanDerWaalsContact O-N 3.1Å; K76-R80 WeakPolarHBondContact O-CB 3.46Å; K76-R80 PolarHBondContact O-N 2.72Å
77	K	96.1	Very high	97.2	Very high	34 Å²	34	47.4 Å²	47.4	15%	0.148	23%	0.228	C	C	.	.	H	α-helix	trans	-69.9	-39.3	177.2	-171.6	177.5	179.9	180	0	111.3	Y50 K74 K75 R80 E81 G177	Y50-K77 VanDerWaalsContact CD2-NZ 3.34Å; Y50-K77 VanDerWaalsContact CE2-NZ 3.32Å; K74-K77 WeakPolarHBondContact O-CB 3.24Å; K74-K77 PolarHBondContact O-N 3.43Å; K75-K77 PolarHBondContact O-N 3.36Å; K77-R80 PolarHBondContact O-N 3.2Å; K77-E81 PolarHBondContact O-N 3.02Å; K77-G177 WeakPolarHBondContact CE-O 3.25Å
78	I	97.3	Very high	97.2	Very high	18 Å²	18	47.4 Å²	47.4	9%	0.092	23%	0.228	C	C	.	.	H	α-helix	trans	-65.3	-49.7	177.3	-54.5	-179.5	0	0	0	109.9	W33 L70 V73 K75 R80 E81 I82 P109	W33-I78 HydrophobicContact CH2-CG2 4.19Å; L70-I78 HydrophobicContact CD1-CB 4.38Å; L70-I78 HydrophobicContact CD1-CD1 4.26Å; L70-I78 HydrophobicContact CD1-CG1 4.06Å; L70-I78 HydrophobicContact CD1-CG2 3.68Å; V73-I78 HydrophobicContact CG2-CD1 3.89Å; V73-I78 HydrophobicContact CG2-CG1 3.59Å; K75-I78 WeakPolarHBondContact O-CB 3.27Å; K75-I78 PolarHBondContact O-N 3.13Å; K75-I78 VanDerWaalsContact O-N 3.08Å; I78-R80 VanDerWaalsContact C-N 3.28Å; I78-R80 PolarHBondContact O-N 3.26Å; I78-E81 PolarHBondContact O-N 3.43Å; I78-I82 HydrophobicContact CG2-CD1 3.78Å; I78-I82 WeakPolarHBondContact O-CG1 3.4Å; I78-I82 PolarHBondContact O-N 3.36Å; I78-P109 HydrophobicContact CD1-CG 3.74Å
79	K	98.3	Very high	97.2	Very high	59 Å²	59	54.4 Å²	54.4	26%	0.257	25%	0.254	S	S	.	.	H	α-helix	trans	-59.1	-40.1	177.1	-67.3	-167.9	177.4	-162.5	0	112.3	Y26 E27 H29 V31 K75 K83	Y26-K79 VanDerWaalsContact O-CB 3.26Å; Y26-K79 WeakPolarHBondContact O-CB 3.26Å; Y26-K79 VanDerWaalsContact O-CD 3.28Å; Y26-K79 WeakPolarHBondContact O-CD 3.28Å; E27-K79 PolarHBondContact O-NZ 2.98Å; H29-K79 WeakPolarHBondContact O-CD 3.39Å; H29-K79 WeakPolarHBondContact O-CE 3.42Å; H29-K79 PolarHBondContact O-NZ 3.47Å; V31-K79 HydrophobicContact CG2-CG 4.44Å; K75-K79 PolarHBondContact O-N 3.14Å; K79-K83 VanDerWaalsContact O-CB 3.24Å; K79-K83 WeakPolarHBondContact O-CB 3.47Å; K79-K83 PolarHBondContact O-N 3Å
80	R	98.7	Very high	97.1	Very high	30 Å²	30	56.4 Å²	56.4	11%	0.113	28%	0.282	C	S	.	.	H	α-helix	trans	-61.3	-49.8	175.8	-175.2	178.6	64.4	-162.7	18.2	112.4	Y26 K76 K77 I78 I82 K83 I84 A179 E180	Y26-R80 HydrophobicContact CD1-CB 4.07Å; Y26-R80 HydrophobicContact CD1-CG 3.85Å; Y26-R80 HydrophobicContact CD2-CB 3.66Å; Y26-R80 HydrophobicContact CD2-CG 4.34Å; Y26-R80 HydrophobicContact CE1-CB 4.27Å; Y26-R80 HydrophobicContact CE1-CG 3.93Å; Y26-R80 HydrophobicContact CE2-CB 3.93Å; Y26-R80 HydrophobicContact CE2-CG 4.47Å; Y26-R80 HydrophobicContact CG-CB 3.78Å; Y26-R80 HydrophobicContact CG-CG 4.07Å; K76-R80 WeakPolarHBondContact O-CB 3.46Å; K76-R80 PolarHBondContact O-N 2.72Å; K77-R80 PolarHBondContact O-N 3.2Å; I78-R80 VanDerWaalsContact C-N 3.28Å; I78-R80 PolarHBondContact O-N 3.26Å; R80-I82 VanDerWaalsContact C-N 3.34Å; R80-I82 PolarHBondContact O-N 3.47Å; R80-K83 PolarHBondContact O-N 3.26Å; R80-I84 HydrophobicContact CG-CD1 3.77Å; R80-I84 HydrophobicContact CG-CG1 4.43Å; R80-I84 WeakPolarHBondContact O-CB 3.16Å; R80-I84 WeakPolarHBondContact O-CG1 3.44Å; R80-I84 PolarHBondContact O-N 2.87Å; R80-A179 WeakPolarHBondContact CD-O 3.48Å; R80-A179 PolarHBondContact NE-O 3.17Å; R80-A179 VanDerWaalsContact NE-O 3.09Å; R80-E180 WeakPolarHBondContact CD-OE1 2.99Å; R80-E180 IonicContact CZ-OE2 3.39Å; R80-E180 VanDerWaalsContact CZ-OE2 3.26Å; R80-E180 IonicContact NE-OE1 2.7Å; R80-E180 IonicContact NE-OE2 2.7Å; R80-E180 IonicContact NH1-OE1 3.24Å; R80-E180 IonicContact NH1-OE2 3.57Å; R80-E180 PolarHBondContact NH1-OE2 3.33Å; R80-E180 IonicContact NH2-OE2 2.75Å
81	E	98.6	Very high	97.2	Very high	11 Å²	11	56.5 Å²	56.5	5%	0.051	28%	0.284	C	S	.	.	H	α-helix	trans	-60.4	-45.1	179.5	-176.7	170.7	179.7	0	0	111.2	K68 K77 I78 L85 L111 G177	K68-E81 IonicContact NZ-OE1 3.38Å; K68-E81 PolarHBondContact NZ-OE1 3.45Å; K68-E81 IonicContact NZ-OE2 3.85Å; K77-E81 PolarHBondContact O-N 3.02Å; I78-E81 PolarHBondContact O-N 3.43Å; E81-L85 HydrophobicContact CG-CD1 3.93Å; E81-L85 WeakPolarHBondContact O-CB 3.41Å; E81-L85 WeakPolarHBondContact O-CD1 3.45Å; E81-L85 VanDerWaalsContact O-CG 3.27Å; E81-L85 WeakPolarHBondContact O-CG 3.29Å; E81-L85 PolarHBondContact O-N 3.17Å; E81-L111 HydrophobicContact CG-CD1 3.98Å; E81-G177 VanDerWaalsContact CD-CA 3.46Å; E81-G177 WeakPolarHBondContact OE2-CA 3.45Å
82	I	98.7	Very high	97.4	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-57.8	-54.5	174.5	-71.6	166.1	0	0	0	110.7	V31 W33 I78 R80 I84 L85 E86 I100 L111	V31-I82 HydrophobicContact CG1-CD1 3.9Å; V31-I82 HydrophobicContact CG2-CD1 3.8Å; V31-I82 HydrophobicContact CG2-CG2 4.33Å; W33-I82 HydrophobicContact CH2-CD1 4.28Å; I78-I82 HydrophobicContact CG2-CD1 3.78Å; I78-I82 WeakPolarHBondContact O-CG1 3.4Å; I78-I82 PolarHBondContact O-N 3.36Å; R80-I82 VanDerWaalsContact C-N 3.34Å; R80-I82 PolarHBondContact O-N 3.47Å; I82-I84 VanDerWaalsContact C-N 3.29Å; I82-I84 PolarHBondContact O-N 2.96Å; I82-L85 PolarHBondContact O-N 2.96Å; I82-L85 VanDerWaalsContact O-N 3.09Å; I82-E86 HydrophobicContact CG2-CG 4.27Å; I82-E86 WeakPolarHBondContact O-CG 3.48Å; I82-E86 PolarHBondContact O-N 3.1Å; I82-I100 HydrophobicContact CB-CD1 4.46Å; I82-I100 HydrophobicContact CD1-CD1 4.35Å; I82-I100 HydrophobicContact CD1-CG2 3.77Å; I82-I100 HydrophobicContact CG1-CD1 4.22Å; I82-I100 HydrophobicContact CG1-CG1 4.46Å; I82-I100 HydrophobicContact CG1-CG2 4.39Å; I82-I100 HydrophobicContact CG2-CD1 3.48Å; I82-I100 VanDerWaalsContact CG2-CD1 3.48Å; I82-L111 HydrophobicContact CD1-CD2 4.16Å; I82-L111 HydrophobicContact CG1-CD2 3.69Å
83	K	98.8	Very high	97.6	Very high	27 Å²	27	51 Å²	51	12%	0.117	25%	0.253	C	S	.	.	H	α-helix	trans	-61.9	-38.7	-174.2	-175.4	62.6	-170.8	176.3	0	112.3	E22 Y23 K79 R80 N87 F181	E22-K83 WeakPolarHBondContact O-CE 3.46Å; E22-K83 PolarHBondContact O-NZ 3.16Å; E22-K83 VanDerWaalsContact O-NZ 3.07Å; Y23-K83 WeakPolarHBondContact O-CE 3Å; K79-K83 VanDerWaalsContact O-CB 3.24Å; K79-K83 WeakPolarHBondContact O-CB 3.47Å; K79-K83 PolarHBondContact O-N 3Å; R80-K83 PolarHBondContact O-N 3.26Å; K83-N87 VanDerWaalsContact CE-OD1 3.29Å; K83-N87 WeakPolarHBondContact CE-OD1 3.49Å; K83-N87 PolarHBondContact NZ-OD1 3.49Å; K83-N87 WeakPolarHBondContact O-CB 3.39Å; K83-N87 PolarHBondContact O-N 3.3Å; K83-N87 PolarHBondContact O-OD1 3.23Å; K83-F181 HydrophobicContact CG-CE2 4.41Å; K83-F181 HydrophobicContact CG-CZ 4.12Å
84	I	98.9	Very high	97.8	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-64	-47.8	174.4	-75.3	175	0	0	0	110.7	R80 I82 E86 N87 L88 I152 W176 A179 F181	R80-I84 HydrophobicContact CG-CD1 3.77Å; R80-I84 HydrophobicContact CG-CG1 4.43Å; R80-I84 WeakPolarHBondContact O-CB 3.16Å; R80-I84 WeakPolarHBondContact O-CG1 3.44Å; R80-I84 PolarHBondContact O-N 2.87Å; I82-I84 VanDerWaalsContact C-N 3.29Å; I82-I84 PolarHBondContact O-N 2.96Å; I84-E86 VanDerWaalsContact C-N 3.34Å; I84-E86 PolarHBondContact O-N 3.2Å; I84-N87 PolarHBondContact O-N 3.47Å; I84-L88 HydrophobicContact CG2-CD1 3.75Å; I84-L88 HydrophobicContact CG2-CG 4.41Å; I84-L88 WeakPolarHBondContact O-CB 3.5Å; I84-L88 VanDerWaalsContact O-CG 3.27Å; I84-L88 WeakPolarHBondContact O-CG 3.2Å; I84-L88 PolarHBondContact O-N 3.15Å; I84-I152 HydrophobicContact CD1-CG2 4.22Å; I84-I152 HydrophobicContact CG1-CD1 4.26Å; I84-I152 HydrophobicContact CG1-CG1 4.39Å; I84-I152 HydrophobicContact CG1-CG2 4.4Å; I84-I152 HydrophobicContact CG2-CD1 4.21Å; I84-I152 HydrophobicContact CG2-CG2 3.93Å; I84-W176 HydrophobicContact CG2-CB 4.12Å; I84-W176 HydrophobicContact CG2-CD2 4.25Å; I84-W176 HydrophobicContact CG2-CE3 3.77Å; I84-W176 HydrophobicContact CG2-CG 4.41Å; I84-A179 HydrophobicContact CD1-CB 3.66Å; I84-A179 HydrophobicContact CG2-CB 4.17Å; I84-F181 HydrophobicContact CD1-CD2 4.44Å; I84-F181 HydrophobicContact CD1-CE2 4.17Å; I84-F181 HydrophobicContact CG1-CD2 4.26Å; I84-F181 HydrophobicContact CG1-CE1 4.46Å; I84-F181 HydrophobicContact CG1-CE2 3.56Å; I84-F181 HydrophobicContact CG1-CZ 3.67Å
85	L	98.8	Very high	98	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-62.6	-39.7	179.1	-76.4	166	0	0	0	112.5	E81 I82 L88 R89 I95 L97 L111 F113 W176	E81-L85 HydrophobicContact CG-CD1 3.93Å; E81-L85 WeakPolarHBondContact O-CB 3.41Å; E81-L85 WeakPolarHBondContact O-CD1 3.45Å; E81-L85 VanDerWaalsContact O-CG 3.27Å; E81-L85 WeakPolarHBondContact O-CG 3.29Å; E81-L85 PolarHBondContact O-N 3.17Å; I82-L85 PolarHBondContact O-N 2.96Å; I82-L85 VanDerWaalsContact O-N 3.09Å; L85-L88 PolarHBondContact O-N 3.06Å; L85-R89 PolarHBondContact O-N 3Å; L85-I95 HydrophobicContact CD2-CG2 4.06Å; L85-L97 HydrophobicContact CB-CB 4.07Å; L85-L97 HydrophobicContact CB-CD2 3.85Å; L85-L97 HydrophobicContact CD1-CD1 4.33Å; L85-L97 HydrophobicContact CD1-CD2 4.31Å; L85-L111 HydrophobicContact CD1-CD1 4.05Å; L85-F113 HydrophobicContact CD1-CE1 3.67Å; L85-F113 HydrophobicContact CD1-CZ 3.82Å; L85-F113 HydrophobicContact CD2-CE1 3.98Å; L85-F113 HydrophobicContact CG-CE1 4.48Å; L85-W176 HydrophobicContact CD2-CB 4.18Å; L85-W176 VanDerWaalsContact CD2-CD1 3.44Å; L85-W176 HydrophobicContact CD2-CG 3.89Å; L85-W176 HydrophobicContact CG-CB 4.25Å; L85-W176 HydrophobicContact CG-CG 4.45Å
86	E	98.6	Very high	98.2	Very high	71 Å²	71	35.5 Å²	35.5	33%	0.332	19%	0.187	S	C	.	.	H	α-helix	trans	-61.9	-48.8	173.6	-72.8	179.7	166.2	0	0	111.5	H29 I82 I84 L88 R89 L97	H29-E86 IonicContact CE1-OE1 2.63Å; H29-E86 IonicContact CE1-OE2 3.14Å; H29-E86 PolarHBondContact CE1-OE2 2.96Å; H29-E86 IonicContact NE2-OE1 2.7Å; H29-E86 IonicContact NE2-OE2 2.76Å; H29-E86 PolarHBondContact NE2-OE2 3.29Å; I82-E86 HydrophobicContact CG2-CG 4.27Å; I82-E86 WeakPolarHBondContact O-CG 3.48Å; I82-E86 PolarHBondContact O-N 3.1Å; I84-E86 VanDerWaalsContact C-N 3.34Å; I84-E86 PolarHBondContact O-N 3.2Å; E86-L88 VanDerWaalsContact C-N 3.27Å; E86-L88 PolarHBondContact O-N 3.08Å; E86-R89 WeakPolarHBondContact O-CB 3.24Å; E86-R89 PolarHBondContact O-N 3.25Å; E86-L97 HydrophobicContact CG-CD2 4.49Å
87	N	98.8	Very high	98.3	Very high	23 Å²	23	31.1 Å²	31.1	12%	0.123	17%	0.168	C	C	.	.	H	α-helix	trans	-64.7	-31.4	-179.7	-71.9	-5.1	0	0	0	112.6	Y23 K83 I84 M150 I152 F181	Y23-N87 HydrophobicContact CE2-CB 3.96Å; Y23-N87 WeakPolarHBondContact CE2-ND2 3.44Å; Y23-N87 PolarHBondContact O-ND2 3.24Å; K83-N87 VanDerWaalsContact CE-OD1 3.29Å; K83-N87 WeakPolarHBondContact CE-OD1 3.49Å; K83-N87 PolarHBondContact NZ-OD1 3.49Å; K83-N87 WeakPolarHBondContact O-CB 3.39Å; K83-N87 PolarHBondContact O-N 3.3Å; K83-N87 PolarHBondContact O-OD1 3.23Å; I84-N87 PolarHBondContact O-N 3.47Å; N87-M150 WeakPolarHBondContact O-CE 3.48Å; N87-I152 HydrophobicContact CB-CD1 4.37Å; N87-F181 WeakPolarHBondContact ND2-CE1 3.29Å; N87-F181 WeakPolarHBondContact ND2-CZ 3.38Å
88	L	98.8	Very high	98.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-92.2	-3.3	-179.4	-62.9	178.1	0	0	0	113.8	I84 L85 E86 G90 G91 I94 Y146 C147 M150 I152 W176	I84-L88 HydrophobicContact CG2-CD1 3.75Å; I84-L88 HydrophobicContact CG2-CG 4.41Å; I84-L88 WeakPolarHBondContact O-CB 3.5Å; I84-L88 VanDerWaalsContact O-CG 3.27Å; I84-L88 WeakPolarHBondContact O-CG 3.2Å; I84-L88 PolarHBondContact O-N 3.15Å; L85-L88 PolarHBondContact O-N 3.06Å; E86-L88 VanDerWaalsContact C-N 3.27Å; E86-L88 PolarHBondContact O-N 3.08Å; L88-G90 PolarHBondContact O-N 3.35Å; L88-G91 PolarHBondContact O-N 3.45Å; L88-I94 HydrophobicContact CB-CG2 3.94Å; L88-Y146 HydrophobicContact CB-CE1 4.36Å; L88-Y146 HydrophobicContact CD2-CD1 4.11Å; L88-Y146 HydrophobicContact CD2-CE1 3.88Å; L88-C147 HydrophobicContact CD1-CB 3.95Å; L88-C147 HydrophobicContact CD2-CB 3.84Å; L88-M150 HydrophobicContact CD2-CB 3.68Å; L88-M150 HydrophobicContact CD2-CG 4.04Å; L88-I152 HydrophobicContact CD1-CD1 4.12Å; L88-I152 HydrophobicContact CD1-CG2 4.29Å; L88-I152 HydrophobicContact CD2-CD1 3.76Å; L88-I152 HydrophobicContact CG-CD1 3.77Å; L88-W176 HydrophobicContact CD1-CD2 3.97Å; L88-W176 HydrophobicContact CD1-CE3 3.49Å; L88-W176 VanDerWaalsContact CD1-CE3 3.49Å; L88-W176 HydrophobicContact CD1-CH2 3.53Å; L88-W176 HydrophobicContact CD1-CZ2 3.99Å; L88-W176 HydrophobicContact CD1-CZ3 3.25Å
89	R	97.9	Very high	98.5	Very high	162 Å²	162	34.4 Å²	34.4	61%	0.611	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.5	133.6	-178.2	-172.9	178.1	-179.9	178.3	3.2	110.9	L85 E86 G91	L85-R89 PolarHBondContact O-N 3Å; E86-R89 WeakPolarHBondContact O-CB 3.24Å; E86-R89 PolarHBondContact O-N 3.25Å; R89-G91 PolarHBondContact O-N 3.04Å
90	G	97.7	Very high	98.5	Very high	73 Å²	73	32.2 Å²	32.2	75%	0.753	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.5	-2.6	-177.2	0	0	0	0	0	114.5	L88	L88-G90 PolarHBondContact O-N 3.35Å
91	G	98.5	Very high	98.5	Very high	8 Å²	8	30.8 Å²	30.8	8%	0.082	17%	0.173	C	C	.	.			trans	-63.8	149.7	173.1	0	0	0	0	0	113.5	L88 R89 N93 I94 Y146	L88-G91 PolarHBondContact O-N 3.45Å; R89-G91 PolarHBondContact O-N 3.04Å; G91-N93 PolarHBondContact O-N 3.09Å; G91-I94 PolarHBondContact O-N 2.66Å; G91-Y146 VanDerWaalsContact CA-CZ 3.46Å
92	P	98.5	Very high	98.5	Very high	57 Å²	57	32.2 Å²	32.2	37%	0.37	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	125.7	177.3	27	-35.3	0	0	0	110.6	I94 K142 A143 Y146	P92-I94 PolarHBondContact O-N 3.1Å; P92-I94 VanDerWaalsContact O-N 3.09Å; P92-K142 HydrophobicContact CB-CB 4.35Å; P92-K142 HydrophobicContact CG-CB 4.49Å; P92-A143 WeakPolarHBondContact O-CA 3.28Å; P92-Y146 HydrophobicContact CG-CD2 4.33Å; P92-Y146 HydrophobicContact CG-CG 4.09Å
93	N	98.6	Very high	98.4	Very high	21 Å²	21	34 Å²	34	11%	0.112	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	20.8	176.8	-56.2	-32.3	0	0	0	114.8	G91 E139 A143 L171 R172 L173	G91-N93 PolarHBondContact O-N 3.09Å; N93-E139 PolarHBondContact ND2-O 3.09Å; N93-E139 PolarHBondContact ND2-OE2 3.37Å; N93-A143 HydrophobicContact CB-CB 4.14Å; N93-L171 HydrophobicContact CB-CD2 4.05Å; N93-L171 PolarHBondContact OD1-O 3.24Å; N93-R172 CarbonylContact O-C 3.26Å; N93-R172 WeakPolarHBondContact O-CA 3.36Å; N93-L173 PolarHBondContact O-N 2.98Å
94	I	98.8	Very high	98.3	Very high	4 Å²	4	35.3 Å²	35.3	2%	0.021	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-90.8	136.5	170.1	-51.2	-63.5	0	0	0	108.9	L88 G91 P92 S96 A143 Y146 R172 W176	L88-I94 HydrophobicContact CB-CG2 3.94Å; G91-I94 PolarHBondContact O-N 2.66Å; P92-I94 PolarHBondContact O-N 3.1Å; P92-I94 VanDerWaalsContact O-N 3.09Å; I94-S96 PolarHBondContact O-N 3.3Å; I94-A143 HydrophobicContact CD1-CB 3.87Å; I94-Y146 HydrophobicContact CD1-CD1 4.36Å; I94-Y146 HydrophobicContact CG1-CD1 3.95Å; I94-Y146 HydrophobicContact CG1-CE1 4.35Å; I94-R172 WeakPolarHBondContact O-CD 3.3Å; I94-W176 HydrophobicContact CD1-CH2 3.76Å; I94-W176 HydrophobicContact CD1-CZ2 3.45Å; I94-W176 VanDerWaalsContact CD1-CZ2 3.45Å; I94-W176 HydrophobicContact CG2-CZ2 3.96Å
95	I	98.5	Very high	98.2	Very high	9 Å²	9	41.7 Å²	41.7	5%	0.046	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-60.7	131.8	173.3	-168.9	69.7	0	0	0	111.7	L85 L97 F113 E114 V116 R172 L173 I174	L85-I95 HydrophobicContact CD2-CG2 4.06Å; I95-L97 PolarHBondContact O-N 3.29Å; I95-F113 HydrophobicContact CD1-CB 4.44Å; I95-F113 HydrophobicContact CG1-CB 4.06Å; I95-F113 HydrophobicContact CG1-CD1 3.74Å; I95-F113 HydrophobicContact CG1-CG 4.16Å; I95-F113 HydrophobicContact CG2-CD1 4.18Å; I95-F113 HydrophobicContact CG2-CE1 4.22Å; I95-E114 HydrophobicContact CD1-CG 3.55Å; I95-E114 HydrophobicContact CG1-CG 4.42Å; I95-V116 HydrophobicContact CD1-CG2 3.47Å; I95-V116 VanDerWaalsContact CD1-CG2 3.47Å; I95-R172 HydrophobicContact CD1-CB 4.35Å; I95-R172 HydrophobicContact CD1-CG 4.37Å; I95-L173 PolarHBondContact N-O 3.09Å; I95-I174 HydrophobicContact CB-CG2 4.01Å; I95-I174 HydrophobicContact CD1-CG2 4.23Å; I95-I174 HydrophobicContact CG1-CG2 4.23Å; I95-I174 HydrophobicContact CG2-CB 4.47Å; I95-I174 HydrophobicContact CG2-CG2 4.4Å
96	S	98.1	Very high	98.1	Very high	35 Å²	35	44.9 Å²	44.9	25%	0.245	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-82.7	118.2	179.6	-56.2	0	0	0	0	111.4	I94 I98 F113 E114	I94-S96 PolarHBondContact O-N 3.3Å; S96-I98 PolarHBondContact O-N 3.24Å; S96-F113 VanDerWaalsContact O-CA 3.3Å; S96-F113 WeakPolarHBondContact O-CA 3.39Å; S96-E114 VanDerWaalsContact CB-OE1 3.29Å; S96-E114 WeakPolarHBondContact CB-OE1 2.94Å; S96-E114 PolarHBondContact N-OE1 2.87Å; S96-E114 PolarHBondContact O-N 3.43Å; S96-E114 PolarHBondContact OG-OE1 3Å
97	L	98.6	Very high	98	Very high	10 Å²	10	48.8 Å²	48.8	5%	0.052	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	118.8	164.4	-178.4	69.4	0	0	0	108.7	L85 E86 I95 D99 I100 L111 F113	L85-L97 HydrophobicContact CB-CB 4.07Å; L85-L97 HydrophobicContact CB-CD2 3.85Å; L85-L97 HydrophobicContact CD1-CD1 4.33Å; L85-L97 HydrophobicContact CD1-CD2 4.31Å; E86-L97 HydrophobicContact CG-CD2 4.49Å; I95-L97 PolarHBondContact O-N 3.29Å; L97-D99 WeakPolarHBondContact CD1-O 3.45Å; L97-I100 HydrophobicContact CD1-CG1 4.4Å; L97-I100 HydrophobicContact CD2-CD1 4.08Å; L97-I100 HydrophobicContact CD2-CG1 3.89Å; L97-I100 HydrophobicContact CG-CG1 4.41Å; L97-L111 HydrophobicContact CD1-CB 3.94Å; L97-L111 HydrophobicContact CD1-CD2 4.35Å; L97-F113 HydrophobicContact CB-CD1 4.45Å; L97-F113 HydrophobicContact CB-CE1 4.32Å; L97-F113 HydrophobicContact CD1-CD1 4.3Å; L97-F113 HydrophobicContact CD1-CE1 3.92Å; L97-F113 HydrophobicContact CD1-CZ 4.19Å
98	I	98	Very high	97.9	Very high	69 Å²	69	50 Å²	50	35%	0.354	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	-48.4	179.5	-65.5	-179.6	0	0	0	110.2	V65 S96 V112 E114	V65-I98 HydrophobicContact CG1-CD1 3.97Å; S96-I98 PolarHBondContact O-N 3.24Å; I98-V112 HydrophobicContact CB-CG1 4.36Å; I98-V112 PolarHBondContact N-O 2.74Å; I98-E114 HydrophobicContact CD1-CB 4.29Å
99	D	98.3	Very high	97.9	Very high	53 Å²	53	50.9 Å²	50.9	28%	0.283	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	161.2	-173.3	-156.9	-3.1	0	0	0	112	F39 L97 V101 V112	F39-D99 HydrophobicContact CZ-CB 4.2Å; L97-D99 WeakPolarHBondContact CD1-O 3.45Å; D99-V101 HydrophobicContact CB-CG1 4.38Å; D99-V112 HydrophobicContact CB-CB 3.98Å; D99-V112 HydrophobicContact CB-CG2 4.14Å; D99-V112 PolarHBondContact N-O 3.47Å; D99-V112 PolarHBondContact O-N 3.26Å
100	I	98.4	Very high	97.9	Very high	13 Å²	13	43.1 Å²	43.1	7%	0.067	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	108.3	179.9	-54.4	160	0	0	0	107.8	V31 W33 G34 I82 L97 L111	V31-I100 HydrophobicContact CG1-CB 4.41Å; V31-I100 HydrophobicContact CG1-CD1 4.23Å; V31-I100 HydrophobicContact CG1-CG2 3.65Å; W33-I100 WeakPolarHBondContact CA-O 3.41Å; W33-I100 HydrophobicContact CD2-CG2 4.45Å; W33-I100 HydrophobicContact CE3-CG2 3.66Å; W33-I100 HydrophobicContact CH2-CG2 4.11Å; W33-I100 HydrophobicContact CZ3-CG2 3.47Å; W33-I100 VanDerWaalsContact CZ3-CG2 3.47Å; G34-I100 PolarHBondContact N-O 2.74Å; I82-I100 HydrophobicContact CB-CD1 4.46Å; I82-I100 HydrophobicContact CD1-CD1 4.35Å; I82-I100 HydrophobicContact CD1-CG2 3.77Å; I82-I100 HydrophobicContact CG1-CD1 4.22Å; I82-I100 HydrophobicContact CG1-CG1 4.46Å; I82-I100 HydrophobicContact CG1-CG2 4.39Å; I82-I100 HydrophobicContact CG2-CD1 3.48Å; I82-I100 VanDerWaalsContact CG2-CD1 3.48Å; L97-I100 HydrophobicContact CD1-CG1 4.4Å; L97-I100 HydrophobicContact CD2-CD1 4.08Å; L97-I100 HydrophobicContact CD2-CG1 3.89Å; L97-I100 HydrophobicContact CG-CG1 4.41Å; I100-L111 HydrophobicContact CG1-CD2 4.32Å; I100-L111 HydrophobicContact CG2-CD2 4.07Å
101	V	98.6	Very high	98	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	162.2	-169	-58.9	0	0	0	0	112.5	G34 Q36 F39 D99 P109 A110 V112	G34-V101 WeakPolarHBondContact O-CA 3.43Å; Q36-V101 HydrophobicContact CB-CB 4.15Å; Q36-V101 HydrophobicContact CB-CG2 3.85Å; Q36-V101 HydrophobicContact CG-CG2 3.93Å; F39-V101 HydrophobicContact CD2-CG1 4.19Å; F39-V101 HydrophobicContact CE2-CG1 3.71Å; D99-V101 HydrophobicContact CB-CG1 4.38Å; V101-P109 WeakPolarHBondContact O-CA 3.36Å; V101-A110 HydrophobicContact CG2-CB 3.89Å; V101-A110 PolarHBondContact N-O 2.84Å; V101-A110 PolarHBondContact O-N 3.27Å; V101-V112 HydrophobicContact CG1-CG2 4.2Å; V101-V112 HydrophobicContact CG2-CG2 4Å
102	K	98.1	Very high	98	Very high	41 Å²	41	39.3 Å²	39.3	18%	0.178	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	141	166.3	-90.7	168.5	-178.3	161.8	0	110.5	W33 G34 Q36 T108 P109	W33-K102 HydrophobicContact CB-CD 4.3Å; W33-K102 HydrophobicContact CD2-CD 3.57Å; W33-K102 HydrophobicContact CD2-CG 3.92Å; W33-K102 HydrophobicContact CE3-CB 4.36Å; W33-K102 HydrophobicContact CE3-CD 3.72Å; W33-K102 HydrophobicContact CE3-CG 3.5Å; W33-K102 VanDerWaalsContact CE3-CG 3.5Å; W33-K102 HydrophobicContact CG-CD 3.81Å; W33-K102 HydrophobicContact CG-CG 4.42Å; W33-K102 HydrophobicContact CZ3-CD 4.31Å; W33-K102 HydrophobicContact CZ3-CG 3.94Å; W33-K102 VanDerWaalsContact NE1-NZ 3.11Å; G34-K102 PolarHBondContact O-N 3.24Å; G34-K102 VanDerWaalsContact O-N 3.16Å; Q36-K102 WeakPolarHBondContact CB-O 3.2Å; Q36-K102 PolarHBondContact N-O 3.32Å; K102-T108 WeakPolarHBondContact CA-O 3.4Å; K102-P109 HydrophobicContact CG-CB 4.24Å
103	D	97.7	Very high	98	Very high	38 Å²	38	37.3 Å²	37.3	20%	0.203	20%	0.203	C	C	.	.			trans	-59.4	125.7	164	-178.1	-100.1	0	0	0	109.6	V105 S106 R107 T108	D103-V105 PolarHBondContact O-N 2.97Å; D103-V105 PolarHBondContact OD1-N 3.5Å; D103-S106 VanDerWaalsContact CB-OG 3.31Å; D103-S106 WeakPolarHBondContact CB-OG 3.24Å; D103-S106 WeakPolarHBondContact OD1-CA 3.33Å; D103-S106 VanDerWaalsContact OD1-CB 3.25Å; D103-S106 WeakPolarHBondContact OD1-CB 3.29Å; D103-S106 PolarHBondContact OD1-N 3.01Å; D103-S106 PolarHBondContact OD1-OG 2.85Å; D103-R107 WeakPolarHBondContact O-CA 3.38Å; D103-R107 PolarHBondContact O-N 3.4Å; D103-T108 PolarHBondContact N-O 3.04Å
104	P	96.6	Very high	97.9	Very high	53 Å²	53	38.4 Å²	38.4	34%	0.344	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-28.3	-172.8	22.8	-31.8	0	0	0	112.7	D37	D37-P104 WeakPolarHBondContact OD2-CG 3.25Å
105	V	96.9	Very high	97.9	Very high	134 Å²	134	40.9 Å²	40.9	81%	0.812	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-61.6	-176.1	-177.5	0	0	0	0	111.5	D103 R107	D103-V105 PolarHBondContact O-N 2.97Å; D103-V105 PolarHBondContact OD1-N 3.5Å; V105-R107 VanDerWaalsContact C-N 3.31Å; V105-R107 PolarHBondContact O-N 3.42Å
106	S	96.5	Very high	97.6	Very high	69 Å²	69	41.8 Å²	41.8	48%	0.483	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-15.9	-176.9	69.9	0	0	0	0	113.6	D103 T108	D103-S106 VanDerWaalsContact CB-OG 3.31Å; D103-S106 WeakPolarHBondContact CB-OG 3.24Å; D103-S106 WeakPolarHBondContact OD1-CA 3.33Å; D103-S106 VanDerWaalsContact OD1-CB 3.25Å; D103-S106 WeakPolarHBondContact OD1-CB 3.29Å; D103-S106 PolarHBondContact OD1-N 3.01Å; D103-S106 PolarHBondContact OD1-OG 2.85Å; S106-T108 PolarHBondContact O-N 3.24Å; S106-T108 VanDerWaalsContact O-N 3.17Å; S106-T108 WeakPolarHBondContact OG-CB 3.45Å; S106-T108 PolarHBondContact OG-N 2.87Å; S106-T108 PolarHBondContact OG-OG1 2.91Å
107	R	96.6	Very high	97.2	Very high	153 Å²	153	44 Å²	44	58%	0.577	23%	0.234	S	C	*	.			trans	60.8	18	-175	-51.4	-65	-68.9	166.5	-3.3	113.6	D103 V105	D103-R107 WeakPolarHBondContact O-CA 3.38Å; D103-R107 PolarHBondContact O-N 3.4Å; V105-R107 VanDerWaalsContact C-N 3.31Å; V105-R107 PolarHBondContact O-N 3.42Å
108	T	97.4	Very high	96.9	Very high	47 Å²	47	46.9 Å²	46.9	29%	0.288	25%	0.249	S	C	.	.			trans	-69.7	126	177.8	-55.6	0	0	0	0	109.5	I69 L70 K102 D103 S106	I69-T108 HydrophobicContact CG2-CG2 3.7Å; L70-T108 WeakPolarHBondContact O-CG2 3.27Å; K102-T108 WeakPolarHBondContact CA-O 3.4Å; D103-T108 PolarHBondContact N-O 3.04Å; S106-T108 PolarHBondContact O-N 3.24Å; S106-T108 VanDerWaalsContact O-N 3.17Å; S106-T108 WeakPolarHBondContact OG-CB 3.45Å; S106-T108 PolarHBondContact OG-N 2.87Å; S106-T108 PolarHBondContact OG-OG1 2.91Å
109	P	98.1	Very high	96.4	Very high	19 Å²	19	46.1 Å²	46.1	12%	0.123	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	144.2	179.4	29.5	-30	0	0	0	111.9	W33 L70 I78 V101 K102	W33-P109 HydrophobicContact CE3-CB 4.42Å; W33-P109 HydrophobicContact CH2-CB 3.48Å; W33-P109 VanDerWaalsContact CH2-CB 3.48Å; W33-P109 HydrophobicContact CZ3-CB 3.35Å; L70-P109 HydrophobicContact CB-CG 4.26Å; L70-P109 WeakPolarHBondContact CB-O 3.4Å; L70-P109 HydrophobicContact CD1-CB 4.44Å; L70-P109 HydrophobicContact CD1-CG 4.35Å; L70-P109 PolarHBondContact N-O 3.31Å; I78-P109 HydrophobicContact CD1-CG 3.74Å; V101-P109 WeakPolarHBondContact O-CA 3.36Å; K102-P109 HydrophobicContact CG-CB 4.24Å
110	A	98.5	Very high	95.7	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	151	173	0	0	0	0	0	111.2	V67 K68 I69 V101	V67-A110 HydrophobicContact CG1-CB 3.87Å; K68-A110 VanDerWaalsContact O-CA 3.28Å; K68-A110 WeakPolarHBondContact O-CA 3.36Å; I69-A110 HydrophobicContact CG1-CB 4.19Å; V101-A110 HydrophobicContact CG2-CB 3.89Å; V101-A110 PolarHBondContact N-O 2.84Å; V101-A110 PolarHBondContact O-N 3.27Å
111	L	98.7	Very high	94.8	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	131.9	175.1	-55.2	-179.3	0	0	0	108.7	K68 L70 E81 I82 L85 L97 I100 F113	K68-L111 HydrophobicContact CB-CB 4.47Å; K68-L111 PolarHBondContact N-O 3.45Å; K68-L111 PolarHBondContact O-N 3.45Å; L70-L111 HydrophobicContact CD1-CD1 4.46Å; L70-L111 HydrophobicContact CD1-CG 4.21Å; L70-L111 HydrophobicContact CD2-CD1 4.41Å; L70-L111 HydrophobicContact CD2-CG 4.5Å; E81-L111 HydrophobicContact CG-CD1 3.98Å; I82-L111 HydrophobicContact CD1-CD2 4.16Å; I82-L111 HydrophobicContact CG1-CD2 3.69Å; L85-L111 HydrophobicContact CD1-CD1 4.05Å; L97-L111 HydrophobicContact CD1-CB 3.94Å; L97-L111 HydrophobicContact CD1-CD2 4.35Å; I100-L111 HydrophobicContact CG1-CD2 4.32Å; I100-L111 HydrophobicContact CG2-CD2 4.07Å; L111-F113 HydrophobicContact CB-CD2 4.38Å; L111-F113 HydrophobicContact CB-CE2 3.48Å; L111-F113 VanDerWaalsContact CB-CE2 3.48Å; L111-F113 HydrophobicContact CB-CZ 3.66Å; L111-F113 HydrophobicContact CD1-CE2 4.45Å; L111-F113 HydrophobicContact CD1-CZ 3.97Å; L111-F113 HydrophobicContact CG-CZ 4.48Å
112	V	98.7	Very high	94	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	127.4	-179.2	-173	0	0	0	0	109.2	F39 V65 V66 V67 I98 D99 V101	F39-V112 HydrophobicContact CD1-CG1 4.09Å; F39-V112 HydrophobicContact CD2-CG2 4.23Å; F39-V112 HydrophobicContact CE1-CB 4.48Å; F39-V112 HydrophobicContact CE1-CG1 3.6Å; F39-V112 HydrophobicContact CE1-CG2 4.28Å; F39-V112 HydrophobicContact CE2-CG2 3.98Å; F39-V112 HydrophobicContact CZ-CB 4.39Å; F39-V112 HydrophobicContact CZ-CG1 3.96Å; F39-V112 HydrophobicContact CZ-CG2 3.98Å; V65-V112 HydrophobicContact CB-CG1 3.82Å; V65-V112 HydrophobicContact CG1-CG1 4.19Å; V65-V112 HydrophobicContact CG2-CG1 3.81Å; V66-V112 CarbonylContact O-C 3.55Å; V66-V112 WeakPolarHBondContact O-CA 3.34Å; V67-V112 HydrophobicContact CG2-CG2 4.38Å; I98-V112 HydrophobicContact CB-CG1 4.36Å; I98-V112 PolarHBondContact N-O 2.74Å; D99-V112 HydrophobicContact CB-CB 3.98Å; D99-V112 HydrophobicContact CB-CG2 4.14Å; D99-V112 PolarHBondContact N-O 3.47Å; D99-V112 PolarHBondContact O-N 3.26Å; V101-V112 HydrophobicContact CG1-CG2 4.2Å; V101-V112 HydrophobicContact CG2-CG2 4Å
113	F	98.6	Very high	93.3	Very high	16 Å²	16	59.2 Å²	59.2	7%	0.07	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	160.7	-175.3	-61.1	-83.9	0	0	0	112.4	V65 V66 K68 L85 I95 S96 L97 L111	V65-F113 WeakPolarHBondContact CB-O 3.49Å; V66-F113 HydrophobicContact CB-CB 4.39Å; V66-F113 PolarHBondContact N-O 3.48Å; V66-F113 PolarHBondContact O-N 2.89Å; K68-F113 HydrophobicContact CB-CD2 4.32Å; K68-F113 HydrophobicContact CB-CE2 3.77Å; K68-F113 HydrophobicContact CD-CE2 4.1Å; L85-F113 HydrophobicContact CD1-CE1 3.67Å; L85-F113 HydrophobicContact CD1-CZ 3.82Å; L85-F113 HydrophobicContact CD2-CE1 3.98Å; L85-F113 HydrophobicContact CG-CE1 4.48Å; I95-F113 HydrophobicContact CD1-CB 4.44Å; I95-F113 HydrophobicContact CG1-CB 4.06Å; I95-F113 HydrophobicContact CG1-CD1 3.74Å; I95-F113 HydrophobicContact CG1-CG 4.16Å; I95-F113 HydrophobicContact CG2-CD1 4.18Å; I95-F113 HydrophobicContact CG2-CE1 4.22Å; S96-F113 VanDerWaalsContact O-CA 3.3Å; S96-F113 WeakPolarHBondContact O-CA 3.39Å; L97-F113 HydrophobicContact CB-CD1 4.45Å; L97-F113 HydrophobicContact CB-CE1 4.32Å; L97-F113 HydrophobicContact CD1-CD1 4.3Å; L97-F113 HydrophobicContact CD1-CE1 3.92Å; L97-F113 HydrophobicContact CD1-CZ 4.19Å; L111-F113 HydrophobicContact CB-CD2 4.38Å; L111-F113 HydrophobicContact CB-CE2 3.48Å; L111-F113 VanDerWaalsContact CB-CE2 3.48Å; L111-F113 HydrophobicContact CB-CZ 3.66Å; L111-F113 HydrophobicContact CD1-CE2 4.45Å; L111-F113 HydrophobicContact CD1-CZ 3.97Å; L111-F113 HydrophobicContact CG-CZ 4.48Å
114	E	97.6	Very high	92.9	Very high	43 Å²	43	57.5 Å²	57.5	20%	0.201	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.3	142.5	165.5	68.9	-179.8	132.9	0	0	110.9	I95 S96 I98 V116 R172	I95-E114 HydrophobicContact CD1-CG 3.55Å; I95-E114 HydrophobicContact CG1-CG 4.42Å; S96-E114 VanDerWaalsContact CB-OE1 3.29Å; S96-E114 WeakPolarHBondContact CB-OE1 2.94Å; S96-E114 PolarHBondContact N-OE1 2.87Å; S96-E114 PolarHBondContact O-N 3.43Å; S96-E114 PolarHBondContact OG-OE1 3Å; I98-E114 HydrophobicContact CD1-CB 4.29Å; E114-V116 HydrophobicContact CG-CG2 3.98Å; E114-V116 PolarHBondContact O-N 3.49Å; E114-R172 IonicContact OE1-CZ 3.25Å; E114-R172 IonicContact OE1-NE 3.1Å; E114-R172 PolarHBondContact OE1-NE 3.3Å; E114-R172 IonicContact OE1-NH2 3.14Å; E114-R172 IonicContact OE2-CZ 3.01Å; E114-R172 IonicContact OE2-NE 2.66Å; E114-R172 IonicContact OE2-NH2 3.34Å; E114-R172 PolarHBondContact OE2-NH2 3.49Å
115	H	96.9	Very high	92.2	Very high	56 Å²	56	55.5 Å²	55.5	26%	0.259	28%	0.284	S	S	.	.			trans	-74.6	126.4	172.1	178.1	-80.8	0	0	0	110	K64 N117	K64-H115 HydrophobicContact CB-CB 4.03Å; K64-H115 WeakPolarHBondContact O-CB 3.44Å; H115-N117 PolarHBondContact CE1-OD1 2.81Å; H115-N117 VanDerWaalsContact CE1-OD1 3.26Å
116	V	93.1	Very high	91.6	Very high	28 Å²	28	55.8 Å²	55.8	17%	0.17	28%	0.276	C	S	.	.			trans	-120.3	122.6	176.9	-173.5	0	0	0	0	107.8	I95 E114 M163 R172	I95-V116 HydrophobicContact CD1-CG2 3.47Å; I95-V116 VanDerWaalsContact CD1-CG2 3.47Å; E114-V116 HydrophobicContact CG-CG2 3.98Å; E114-V116 PolarHBondContact O-N 3.49Å; V116-M163 HydrophobicContact CB-CB 4.49Å; V116-M163 HydrophobicContact CG1-CB 3.82Å; V116-R172 HydrophobicContact CG1-CB 4.44Å; V116-R172 HydrophobicContact CG1-CG 4.18Å; V116-R172 HydrophobicContact CG2-CB 4.35Å; V116-R172 HydrophobicContact CG2-CG 3.84Å
117	N	90.4	Very high	91.4	Very high	82 Å²	82	56.9 Å²	56.9	44%	0.439	28%	0.281	S	S	.	.			trans	-64	139.2	167.6	-66.7	-37.1	0	0	0	108.5	H115 D165	H115-N117 PolarHBondContact CE1-OD1 2.81Å; H115-N117 VanDerWaalsContact CE1-OD1 3.26Å; N117-D165 HydrophobicContact CB-CB 4.12Å; N117-D165 WeakPolarHBondContact CB-OD2 3.49Å; N117-D165 PolarHBondContact ND2-OD2 2.72Å; N117-D165 VanDerWaalsContact ND2-OD2 3.07Å
118	N	91.2	Very high	91.4	Very high	71 Å²	71	49.8 Å²	49.8	38%	0.38	25%	0.254	S	S	.	.			trans	-133.9	122.9	179.2	-174.8	59.3	0	0	0	110.9	M163 I164	N118-M163 HydrophobicContact CB-SD 3.53Å; N118-M163 VanDerWaalsContact CB-SD 3.53Å; N118-M163 WeakPolarHBondContact OD1-CA 3.37Å; N118-M163 PolarHBondContact OD1-SD 2.72Å; N118-M163 VanDerWaalsContact OD1-SD 3.41Å; N118-I164 WeakPolarHBondContact CA-O 3.49Å; N118-I164 PolarHBondContact OD1-N 2.68Å
119	T	87.6	Confident	91.4	Very high	52 Å²	52	50.9 Å²	50.9	32%	0.319	26%	0.261	S	S	.	.			trans	-80.9	124.2	160.3	-48.1	0	0	0	0	107.7	F121 L124 I164	T119-F121 PolarHBondContact O-N 3.37Å; T119-L124 HydrophobicContact CG2-CB 3.95Å; T119-L124 HydrophobicContact CG2-CD1 4.4Å; T119-I164 PolarHBondContact N-O 2.88Å
120	D	83	Confident	91.4	Very high	83 Å²	83	52 Å²	52	44%	0.444	27%	0.266	S	S	.	.			trans	-53.2	127	179.9	178.1	-98.4	0	0	0	110.6	K122 Q123 L124	D120-K122 PolarHBondContact O-N 2.87Å; D120-K122 WeakPolarHBondContact OD1-CB 3.4Å; D120-K122 PolarHBondContact OD1-N 3.01Å; D120-Q123 HydrophobicContact CB-CG 4.31Å; D120-Q123 PolarHBondContact O-N 2.88Å; D120-Q123 PolarHBondContact OD1-N 2.9Å; D120-L124 PolarHBondContact O-N 3.09Å
121	F	80.8	Confident	91.3	Very high	19 Å²	19	55.1 Å²	55.1	8%	0.083	28%	0.278	C	S	.	.	H	α-helix	trans	-59	-34.8	-172.5	-178.3	-91.8	0	0	0	111.9	T119 Q123 L124 Y125 P159 M225	T119-F121 PolarHBondContact O-N 3.37Å; F121-Q123 VanDerWaalsContact C-N 3.27Å; F121-Q123 PolarHBondContact O-N 2.7Å; F121-L124 PolarHBondContact O-N 3.21Å; F121-Y125 AromaticContact CE1-CD2 3.66Å; F121-Y125 HydrophobicContact CE1-CD2 3.66Å; F121-Y125 HydrophobicContact CE1-CG 4.13Å; F121-Y125 AromaticContact CZ-CD2 3.72Å; F121-Y125 HydrophobicContact CZ-CD2 3.72Å; F121-Y125 HydrophobicContact CZ-CG 4.44Å; F121-Y125 WeakPolarHBondContact O-CA 3.38Å; F121-Y125 WeakPolarHBondContact O-CB 3.34Å; F121-Y125 PolarHBondContact O-N 3Å; F121-P159 HydrophobicContact CB-CB 4.23Å; F121-P159 HydrophobicContact CD1-CB 3.26Å; F121-P159 HydrophobicContact CD1-CG 4.01Å; F121-P159 HydrophobicContact CD2-CB 3.78Å; F121-P159 HydrophobicContact CE1-CB 3.36Å; F121-P159 HydrophobicContact CE1-CG 3.6Å; F121-P159 HydrophobicContact CE2-CB 3.86Å; F121-P159 HydrophobicContact CE2-CG 4.44Å; F121-P159 HydrophobicContact CG-CB 3.47Å; F121-P159 VanDerWaalsContact CG-CB 3.47Å; F121-P159 HydrophobicContact CZ-CB 3.65Å; F121-P159 HydrophobicContact CZ-CG 3.84Å; F121-M225 HydrophobicContact CE2-SD 4.38Å; F121-M225 HydrophobicContact CZ-CG 4.22Å; F121-M225 HydrophobicContact CZ-SD 4.22Å
122	K	81.3	Confident	91.3	Very high	144 Å²	144	55.8 Å²	55.8	63%	0.626	28%	0.282	S	S	*	.	H	α-helix	trans	-66	-33.7	-179.1	-169.4	-178.8	177.5	-178.1	0	111.7	D120	D120-K122 PolarHBondContact O-N 2.87Å; D120-K122 WeakPolarHBondContact OD1-CB 3.4Å; D120-K122 PolarHBondContact OD1-N 3.01Å
123	Q	84.3	Confident	91.3	Very high	136 Å²	136	55.9 Å²	55.9	64%	0.636	28%	0.282	S	S	*	.	H	α-helix	trans	-75.4	-50.2	173.7	-62.2	-178.7	1.9	0	0	110.8	D120 F121 Y125 Q126	D120-Q123 HydrophobicContact CB-CG 4.31Å; D120-Q123 PolarHBondContact O-N 2.88Å; D120-Q123 PolarHBondContact OD1-N 2.9Å; F121-Q123 VanDerWaalsContact C-N 3.27Å; F121-Q123 PolarHBondContact O-N 2.7Å; Q123-Y125 VanDerWaalsContact C-N 3.34Å; Q123-Y125 PolarHBondContact O-N 3.27Å; Q123-Q126 PolarHBondContact O-N 2.87Å
124	L	87.3	Confident	91.3	Very high	3 Å²	3	56.3 Å²	56.3	2%	0.016	28%	0.283	C	S	.	.	H	α-helix	trans	-62.5	-43.5	-175.9	-179.6	60.1	0	0	0	111.8	T119 D120 F121 Q126 T127 L128 I164 H166	T119-L124 HydrophobicContact CG2-CB 3.95Å; T119-L124 HydrophobicContact CG2-CD1 4.4Å; D120-L124 PolarHBondContact O-N 3.09Å; F121-L124 PolarHBondContact O-N 3.21Å; L124-Q126 PolarHBondContact O-N 2.82Å; L124-T127 PolarHBondContact O-N 2.94Å; L124-T127 PolarHBondContact O-OG1 2.64Å; L124-L128 HydrophobicContact CD1-CD2 3.72Å; L124-L128 HydrophobicContact CD2-CD2 4.31Å; L124-L128 HydrophobicContact CG-CD2 3.75Å; L124-L128 HydrophobicContact CG-CG 4.22Å; L124-L128 WeakPolarHBondContact O-CG 3.28Å; L124-L128 PolarHBondContact O-N 3.09Å; L124-L128 VanDerWaalsContact O-N 3.16Å; L124-I164 HydrophobicContact CD2-CB 3.82Å; L124-I164 HydrophobicContact CD2-CD1 3.84Å; L124-I164 HydrophobicContact CD2-CG1 4.4Å; L124-I164 HydrophobicContact CD2-CG2 3.59Å; L124-H166 HydrophobicContact CD1-CB 3.87Å; L124-H166 HydrophobicContact CD2-CB 4.37Å
125	Y	83.1	Confident	91.3	Very high	11 Å²	11	55.2 Å²	55.2	4%	0.043	28%	0.278	C	S	.	.	H	α-helix	trans	-48.6	-48.4	-178.5	168.7	-88.8	0	0	0	111.1	F121 Q123 T127 L128 S224 M225 R228 K229	F121-Y125 AromaticContact CE1-CD2 3.66Å; F121-Y125 HydrophobicContact CE1-CD2 3.66Å; F121-Y125 HydrophobicContact CE1-CG 4.13Å; F121-Y125 AromaticContact CZ-CD2 3.72Å; F121-Y125 HydrophobicContact CZ-CD2 3.72Å; F121-Y125 HydrophobicContact CZ-CG 4.44Å; F121-Y125 WeakPolarHBondContact O-CA 3.38Å; F121-Y125 WeakPolarHBondContact O-CB 3.34Å; F121-Y125 PolarHBondContact O-N 3Å; Q123-Y125 VanDerWaalsContact C-N 3.34Å; Q123-Y125 PolarHBondContact O-N 3.27Å; Y125-T127 PolarHBondContact O-N 2.96Å; Y125-L128 PolarHBondContact O-N 3.06Å; Y125-S224 VanDerWaalsContact OH-C 3.24Å; Y125-S224 PolarHBondContact OH-O 2.85Å; Y125-M225 HydrophobicContact CD2-CB 4.47Å; Y125-M225 HydrophobicContact CD2-CG 3.69Å; Y125-M225 HydrophobicContact CE2-CB 4.09Å; Y125-M225 HydrophobicContact CE2-CG 3.67Å; Y125-R228 PolarHBondContact O-NH1 2.96Å; Y125-R228 WeakPolarHBondContact OH-CA 3.43Å; Y125-K229 PolarHBondContact OH-N 3.32Å
126	Q	84.9	Confident	91.3	Very high	139 Å²	139	52.8 Å²	52.8	65%	0.65	27%	0.266	S	S	*	.	H	α-helix	trans	-64.1	-22.1	-176.8	-66.7	-170.3	-4.5	0	0	113.8	Q123 L124 R228	Q123-Q126 PolarHBondContact O-N 2.87Å; L124-Q126 PolarHBondContact O-N 2.82Å; Q126-R228 PolarHBondContact O-NH1 2.86Å; Q126-R228 PolarHBondContact O-NH2 3.4Å; Q126-R228 VanDerWaalsContact O-NH2 3.1Å
127	T	91.7	Very high	91.6	Very high	93 Å²	93	51.5 Å²	51.5	57%	0.571	26%	0.258	S	S	*	.	H	α-helix	trans	-104.5	-9.7	-175.2	66.9	0	0	0	0	113.6	L124 Y125 T129	L124-T127 PolarHBondContact O-N 2.94Å; L124-T127 PolarHBondContact O-OG1 2.64Å; Y125-T127 PolarHBondContact O-N 2.96Å; T127-T129 PolarHBondContact O-N 2.89Å
128	L	95.5	Very high	92	Very high	3 Å²	3	48.6 Å²	48.6	2%	0.016	24%	0.242	C	C	.	.			trans	-61.3	133.7	179.2	-64.8	-177.4	0	0	0	111.5	L124 Y125 D132 I133 Y136 M225 R228	L124-L128 HydrophobicContact CD1-CD2 3.72Å; L124-L128 HydrophobicContact CD2-CD2 4.31Å; L124-L128 HydrophobicContact CG-CD2 3.75Å; L124-L128 HydrophobicContact CG-CG 4.22Å; L124-L128 WeakPolarHBondContact O-CG 3.28Å; L124-L128 PolarHBondContact O-N 3.09Å; L124-L128 VanDerWaalsContact O-N 3.16Å; Y125-L128 PolarHBondContact O-N 3.06Å; L128-D132 HydrophobicContact CB-CB 4.25Å; L128-D132 HydrophobicContact CD2-CB 3.77Å; L128-I133 HydrophobicContact CB-CG1 3.93Å; L128-I133 HydrophobicContact CD1-CG1 4.15Å; L128-Y136 HydrophobicContact CD2-CD2 4.08Å; L128-Y136 HydrophobicContact CD2-CE2 3.95Å; L128-M225 HydrophobicContact CD1-SD 4.18Å; L128-R228 PolarHBondContact O-NH2 2.95Å
129	T	97.5	Very high	92.4	Very high	71 Å²	71	46.1 Å²	46.1	44%	0.436	23%	0.228	S	C	.	.			trans	-80.7	167.3	168.3	67.6	0	0	0	0	110.9	T127 Y131 D132 I133	T127-T129 PolarHBondContact O-N 2.89Å; T129-Y131 PolarHBondContact O-N 3.17Å; T129-D132 PolarHBondContact N-OD2 2.68Å; T129-D132 PolarHBondContact O-N 3.35Å; T129-D132 VanDerWaalsContact O-N 3.14Å; T129-D132 VanDerWaalsContact OG1-CG 3.23Å; T129-D132 PolarHBondContact OG1-N 2.88Å; T129-D132 VanDerWaalsContact OG1-N 3.13Å; T129-D132 PolarHBondContact OG1-OD2 3.04Å; T129-I133 WeakPolarHBondContact O-CG1 3.43Å; T129-I133 PolarHBondContact O-N 3.37Å
130	D	98.1	Very high	92.9	Very high	41 Å²	41	43.8 Å²	43.8	22%	0.219	21%	0.213	C	C	.	.	H	α-helix	trans	-54.5	-43	172.2	175.3	43.4	0	0	0	111.4	D132 I133 R134 L292	D130-D132 PolarHBondContact O-N 2.64Å; D130-I133 PolarHBondContact O-N 3.3Å; D130-R134 VanDerWaalsContact CG-NE 3.28Å; D130-R134 WeakPolarHBondContact O-CG 3.43Å; D130-R134 PolarHBondContact O-N 3.45Å; D130-R134 IonicContact OD1-CZ 2.92Å; D130-R134 IonicContact OD1-NE 2.72Å; D130-R134 PolarHBondContact OD1-NE 3.44Å; D130-R134 IonicContact OD1-NH2 3.79Å; D130-R134 PolarHBondContact OD1-NH2 3.3Å; D130-R134 IonicContact OD2-CZ 2.8Å; D130-R134 VanDerWaalsContact OD2-CZ 3.27Å; D130-R134 IonicContact OD2-NE 3.78Å; D130-R134 PolarHBondContact OD2-NE 3.14Å; D130-R134 IonicContact OD2-NH2 3.95Å; D130-R134 PolarHBondContact OD2-NH2 3.43Å; D130-L292 HydrophobicContact CB-CD2 4.34Å
131	Y	97.8	Very high	93.7	Very high	66 Å²	66	39.9 Å²	39.9	26%	0.259	19%	0.192	S	C	.	.	H	α-helix	trans	-62.2	-43.4	177.1	-179.3	-85.8	0	0	0	112.1	T129 I133 R134 F135 I327 E330	T129-Y131 PolarHBondContact O-N 3.17Å; Y131-I133 PolarHBondContact O-N 2.89Å; Y131-R134 PolarHBondContact O-N 2.76Å; Y131-F135 HydrophobicContact CE1-CB 4.24Å; Y131-F135 WeakPolarHBondContact O-CB 3.36Å; Y131-F135 PolarHBondContact O-N 3.5Å; Y131-I327 HydrophobicContact CD2-CD1 3.92Å; Y131-I327 HydrophobicContact CE1-CD1 4.18Å; Y131-I327 HydrophobicContact CE2-CD1 3.43Å; Y131-I327 VanDerWaalsContact CE2-CD1 3.43Å; Y131-I327 HydrophobicContact CG-CD1 4.48Å; Y131-E330 VanDerWaalsContact CE2-OE2 3.31Å; Y131-E330 WeakPolarHBondContact CE2-OE2 3.4Å; Y131-E330 PolarHBondContact OH-OE2 3Å
132	D	97.7	Very high	94.5	Very high	15 Å²	15	41.2 Å²	41.2	8%	0.08	20%	0.198	C	C	.	.	H	α-helix	trans	-66.2	-38.2	179	-62.9	-52.4	0	0	0	112.5	L128 T129 D130 F135 Y136 R169	L128-D132 HydrophobicContact CB-CB 4.25Å; L128-D132 HydrophobicContact CD2-CB 3.77Å; T129-D132 PolarHBondContact N-OD2 2.68Å; T129-D132 PolarHBondContact O-N 3.35Å; T129-D132 VanDerWaalsContact O-N 3.14Å; T129-D132 VanDerWaalsContact OG1-CG 3.23Å; T129-D132 PolarHBondContact OG1-N 2.88Å; T129-D132 VanDerWaalsContact OG1-N 3.13Å; T129-D132 PolarHBondContact OG1-OD2 3.04Å; D130-D132 PolarHBondContact O-N 2.64Å; D132-F135 PolarHBondContact O-N 2.96Å; D132-Y136 HydrophobicContact CB-CD2 4.27Å; D132-Y136 HydrophobicContact CB-CE2 4.17Å; D132-Y136 WeakPolarHBondContact O-CD2 3.48Å; D132-Y136 PolarHBondContact O-N 3.42Å; D132-R169 IonicContact OD1-CZ 3.87Å; D132-R169 IonicContact OD1-NH1 2.95Å; D132-R169 PolarHBondContact OD1-NH1 3.49Å; D132-R169 IonicContact OD1-NH2 3.57Å; D132-R169 PolarHBondContact OD1-NH2 3.5Å
133	I	98.2	Very high	95.4	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-59.5	-50.2	173.9	-65.6	168.7	0	0	0	109.4	L128 T129 D130 Y131 F135 Y136 M137 L222 M225 I226 L292	L128-I133 HydrophobicContact CB-CG1 3.93Å; L128-I133 HydrophobicContact CD1-CG1 4.15Å; T129-I133 WeakPolarHBondContact O-CG1 3.43Å; T129-I133 PolarHBondContact O-N 3.37Å; D130-I133 PolarHBondContact O-N 3.3Å; Y131-I133 PolarHBondContact O-N 2.89Å; I133-F135 VanDerWaalsContact C-N 3.33Å; I133-F135 PolarHBondContact O-N 2.97Å; I133-Y136 PolarHBondContact O-N 2.92Å; I133-M137 HydrophobicContact CG2-CG 4.15Å; I133-M137 WeakPolarHBondContact O-CB 3.49Å; I133-M137 WeakPolarHBondContact O-CG 3.39Å; I133-M137 PolarHBondContact O-N 2.69Å; I133-L222 HydrophobicContact CG2-CD1 3.98Å; I133-M225 HydrophobicContact CD1-CB 4.03Å; I133-M225 HydrophobicContact CG1-CB 4.25Å; I133-M225 HydrophobicContact CG1-SD 4.45Å; I133-M225 HydrophobicContact CG2-CB 4.17Å; I133-M225 HydrophobicContact CG2-CE 4.21Å; I133-M225 HydrophobicContact CG2-SD 4.32Å; I133-I226 HydrophobicContact CD1-CG2 4.5Å; I133-I226 HydrophobicContact CG2-CG2 4.28Å; I133-L292 HydrophobicContact CD1-CB 4.36Å; I133-L292 HydrophobicContact CD1-CD1 4Å; I133-L292 HydrophobicContact CD1-CD2 3.96Å; I133-L292 HydrophobicContact CD1-CG 4.34Å
134	R	98.6	Very high	96.1	Very high	25 Å²	25	27.9 Å²	27.9	9%	0.094	14%	0.138	C	C	.	.	H	α-helix	trans	-56.1	-47.7	176.1	-69	170.4	-165.8	-116.8	10.4	111.5	D130 Y131 Y138 S294 Y323 F324 I327	D130-R134 VanDerWaalsContact CG-NE 3.28Å; D130-R134 WeakPolarHBondContact O-CG 3.43Å; D130-R134 PolarHBondContact O-N 3.45Å; D130-R134 IonicContact OD1-CZ 2.92Å; D130-R134 IonicContact OD1-NE 2.72Å; D130-R134 PolarHBondContact OD1-NE 3.44Å; D130-R134 IonicContact OD1-NH2 3.79Å; D130-R134 PolarHBondContact OD1-NH2 3.3Å; D130-R134 IonicContact OD2-CZ 2.8Å; D130-R134 VanDerWaalsContact OD2-CZ 3.27Å; D130-R134 IonicContact OD2-NE 3.78Å; D130-R134 PolarHBondContact OD2-NE 3.14Å; D130-R134 IonicContact OD2-NH2 3.95Å; D130-R134 PolarHBondContact OD2-NH2 3.43Å; Y131-R134 PolarHBondContact O-N 2.76Å; R134-Y138 WeakPolarHBondContact O-CB 3.45Å; R134-Y138 PolarHBondContact O-N 3Å; R134-S294 PolarHBondContact NH2-OG 3.06Å; R134-S294 VanDerWaalsContact NH2-OG 3.14Å; R134-Y323 HydrophobicContact CB-CE1 4.36Å; R134-Y323 WeakPolarHBondContact CD-O 3.34Å; R134-Y323 HydrophobicContact CG-CD1 4.11Å; R134-Y323 HydrophobicContact CG-CD2 4.17Å; R134-Y323 HydrophobicContact CG-CE1 3.56Å; R134-Y323 HydrophobicContact CG-CE2 3.59Å; R134-Y323 HydrophobicContact CG-CG 4.39Å; R134-Y323 WeakPolarHBondContact CG-OH 3.31Å; R134-Y323 VanDerWaalsContact NH1-CD2 3.3Å; R134-Y323 PolarHBondContact NH1-O 3.1Å; R134-F324 HydrophobicContact CB-CD1 4.44Å; R134-F324 WeakPolarHBondContact O-CD1 3.3Å; R134-F324 VanDerWaalsContact O-CE1 3.26Å; R134-F324 WeakPolarHBondContact O-CE1 3.39Å; R134-I327 HydrophobicContact CB-CD1 3.95Å; R134-I327 HydrophobicContact CB-CG1 3.85Å
135	F	98.2	Very high	96.6	Very high	21 Å²	21	28.2 Å²	28.2	9%	0.092	14%	0.14	C	C	.	.	H	α-helix	trans	-60.2	-54.6	-179.4	178.1	-90.9	0	0	0	111.9	Y131 D132 I133 M137 Y138 E139 R169 I327	Y131-F135 HydrophobicContact CE1-CB 4.24Å; Y131-F135 WeakPolarHBondContact O-CB 3.36Å; Y131-F135 PolarHBondContact O-N 3.5Å; D132-F135 PolarHBondContact O-N 2.96Å; I133-F135 VanDerWaalsContact C-N 3.33Å; I133-F135 PolarHBondContact O-N 2.97Å; F135-M137 VanDerWaalsContact C-N 3.34Å; F135-M137 PolarHBondContact O-N 3.34Å; F135-Y138 WeakPolarHBondContact O-CB 3.43Å; F135-Y138 PolarHBondContact O-N 3.4Å; F135-Y138 VanDerWaalsContact O-N 3.17Å; F135-E139 HydrophobicContact CD1-CG 4.25Å; F135-E139 HydrophobicContact CE1-CG 3.83Å; F135-E139 HydrophobicContact CZ-CG 3.98Å; F135-E139 WeakPolarHBondContact O-CG 3.25Å; F135-E139 PolarHBondContact O-N 3.14Å; F135-R169 VanDerWaalsContact CB-NH2 3.27Å; F135-R169 VanDerWaalsContact CD1-NH2 3.26Å; F135-R169 HydrophobicContact CE1-CB 3.79Å; F135-R169 HydrophobicContact CZ-CB 3.82Å; F135-I327 HydrophobicContact CB-CD1 4Å; F135-I327 HydrophobicContact CD2-CG2 4.39Å
136	Y	98.2	Very high	97.4	Very high	4 Å²	4	30.4 Å²	30.4	2%	0.016	15%	0.148	C	C	.	.	H	α-helix	trans	-68.3	-34.3	-177.4	-70.3	-58.1	0	0	0	112.4	L128 D132 I133 Y138 E139 I140 I164 H166 L171	L128-Y136 HydrophobicContact CD2-CD2 4.08Å; L128-Y136 HydrophobicContact CD2-CE2 3.95Å; D132-Y136 HydrophobicContact CB-CD2 4.27Å; D132-Y136 HydrophobicContact CB-CE2 4.17Å; D132-Y136 WeakPolarHBondContact O-CD2 3.48Å; D132-Y136 PolarHBondContact O-N 3.42Å; I133-Y136 PolarHBondContact O-N 2.92Å; Y136-Y138 VanDerWaalsContact C-N 3.32Å; Y136-Y138 PolarHBondContact O-N 2.77Å; Y136-E139 PolarHBondContact O-N 3.43Å; Y136-I140 VanDerWaalsContact O-CG1 3.25Å; Y136-I140 WeakPolarHBondContact O-CG1 3.46Å; Y136-I140 PolarHBondContact O-N 3.05Å; Y136-I164 HydrophobicContact CD1-CD1 4.18Å; Y136-I164 HydrophobicContact CD1-CG1 4.43Å; Y136-I164 HydrophobicContact CD1-CG2 4.1Å; Y136-I164 HydrophobicContact CD2-CD1 4.46Å; Y136-I164 HydrophobicContact CE1-CG2 3.46Å; Y136-I164 VanDerWaalsContact CE1-CG2 3.46Å; Y136-I164 HydrophobicContact CE2-CG2 4.22Å; Y136-I164 HydrophobicContact CG-CD1 4.14Å; Y136-H166 AromaticContact CE2-CE1 3.97Å; Y136-H166 AromaticContact CE2-ND1 3.49Å; Y136-H166 WeakPolarHBondContact CE2-ND1 3.39Å; Y136-H166 AromaticContact CZ-ND1 3.57Å; Y136-H166 WeakPolarHBondContact OH-CA 3.47Å; Y136-H166 PolarHBondContact OH-ND1 3.07Å; Y136-L171 HydrophobicContact CD1-CD1 3.86Å; Y136-L171 HydrophobicContact CG-CD1 4.47Å
137	M	98.6	Very high	98	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-61.6	-41.6	171.9	-72.8	-66	-64.4	0	0	111.8	I133 F135 I140 L141 L218 L222 M225 F300 F324	I133-M137 HydrophobicContact CG2-CG 4.15Å; I133-M137 WeakPolarHBondContact O-CB 3.49Å; I133-M137 WeakPolarHBondContact O-CG 3.39Å; I133-M137 PolarHBondContact O-N 2.69Å; F135-M137 VanDerWaalsContact C-N 3.34Å; F135-M137 PolarHBondContact O-N 3.34Å; M137-I140 PolarHBondContact O-N 3.37Å; M137-I140 HydrophobicContact SD-CD1 4.45Å; M137-L141 VanDerWaalsContact O-CG 3.31Å; M137-L141 WeakPolarHBondContact O-CG 3.44Å; M137-L141 PolarHBondContact O-N 3.02Å; M137-L218 HydrophobicContact CE-CD1 3.36Å; M137-L218 HydrophobicContact CE-CD2 4.03Å; M137-L218 HydrophobicContact CE-CG 3.45Å; M137-L218 VanDerWaalsContact CE-CG 3.45Å; M137-L218 HydrophobicContact SD-CD1 3.77Å; M137-L218 HydrophobicContact SD-CG 4.49Å; M137-L222 HydrophobicContact CE-CB 3.71Å; M137-L222 HydrophobicContact CE-CD1 4.18Å; M137-L222 HydrophobicContact CE-CD2 4.42Å; M137-L222 HydrophobicContact CE-CG 4.32Å; M137-L222 HydrophobicContact CG-CD1 4.18Å; M137-L222 HydrophobicContact SD-CB 4.38Å; M137-L222 HydrophobicContact SD-CD1 4.5Å; M137-M225 HydrophobicContact CG-CE 3.76Å; M137-M225 HydrophobicContact SD-CE 3.26Å; M137-M225 WeakPolarHBondContact SD-CE 3.38Å; M137-F300 HydrophobicContact CE-CE1 4.34Å; M137-F324 HydrophobicContact CB-CE1 3.83Å; M137-F324 HydrophobicContact CB-CZ 4.04Å
138	Y	98.8	Very high	98.4	Very high	22 Å²	22	19.5 Å²	19.5	9%	0.086	9%	0.091	C	C	.	.	H	α-helix	trans	-64.9	-40.8	175.3	-166.1	-103.8	0	0	0	112.2	R134 F135 Y136 I140 L141 K142 M319 F324 I327 V328	R134-Y138 WeakPolarHBondContact O-CB 3.45Å; R134-Y138 PolarHBondContact O-N 3Å; F135-Y138 WeakPolarHBondContact O-CB 3.43Å; F135-Y138 PolarHBondContact O-N 3.4Å; F135-Y138 VanDerWaalsContact O-N 3.17Å; Y136-Y138 VanDerWaalsContact C-N 3.32Å; Y136-Y138 PolarHBondContact O-N 2.77Å; Y138-I140 PolarHBondContact O-N 3.25Å; Y138-L141 WeakPolarHBondContact O-CB 3.27Å; Y138-L141 PolarHBondContact O-N 2.86Å; Y138-K142 PolarHBondContact O-N 3.48Å; Y138-M319 HydrophobicContact CD2-CB 4.37Å; Y138-M319 HydrophobicContact CD2-CG 4.24Å; Y138-M319 HydrophobicContact CE1-CE 4.16Å; Y138-M319 HydrophobicContact CE2-CB 3.7Å; Y138-M319 HydrophobicContact CE2-CE 3.92Å; Y138-M319 HydrophobicContact CE2-CG 3.89Å; Y138-M319 WeakPolarHBondContact OH-CE 3.39Å; Y138-F324 HydrophobicContact CD2-CB 3.77Å; Y138-F324 AromaticContact CD2-CD1 3.84Å; Y138-F324 HydrophobicContact CD2-CD1 3.84Å; Y138-F324 HydrophobicContact CD2-CD2 4.26Å; Y138-F324 HydrophobicContact CD2-CE1 4.48Å; Y138-F324 AromaticContact CD2-CG 3.69Å; Y138-F324 HydrophobicContact CD2-CG 3.69Å; Y138-F324 HydrophobicContact CE2-CB 4.15Å; Y138-F324 HydrophobicContact CE2-CG 4.44Å; Y138-F324 HydrophobicContact CG-CD1 4.26Å; Y138-I327 HydrophobicContact CD1-CG2 3.78Å; Y138-I327 HydrophobicContact CE1-CG2 4.4Å; Y138-I327 HydrophobicContact CG-CG2 3.99Å; Y138-V328 HydrophobicContact CE2-CG2 3.9Å
139	E	98.6	Very high	98.5	Very high	18 Å²	18	21.1 Å²	21.1	8%	0.084	10%	0.102	C	C	.	.	H	α-helix	trans	-66.9	-34.1	176	-67.4	-52.8	116.9	0	0	113	N93 F135 Y136 K142 A143 L171 Q331	N93-E139 PolarHBondContact ND2-O 3.09Å; N93-E139 PolarHBondContact ND2-OE2 3.37Å; F135-E139 HydrophobicContact CD1-CG 4.25Å; F135-E139 HydrophobicContact CE1-CG 3.83Å; F135-E139 HydrophobicContact CZ-CG 3.98Å; F135-E139 WeakPolarHBondContact O-CG 3.25Å; F135-E139 PolarHBondContact O-N 3.14Å; Y136-E139 PolarHBondContact O-N 3.43Å; E139-K142 WeakPolarHBondContact OE1-CE 3.46Å; E139-K142 IonicContact OE1-NZ 3.82Å; E139-K142 PolarHBondContact OE1-NZ 3.29Å; E139-K142 IonicContact OE2-NZ 3.65Å; E139-A143 PolarHBondContact O-N 2.82Å; E139-L171 HydrophobicContact CB-CB 4.16Å; E139-L171 HydrophobicContact CB-CD1 4.2Å; E139-Q331 PolarHBondContact OE1-NE2 3.19Å
140	I	98.8	Very high	98.6	Very high	4 Å²	4	19 Å²	19	2%	0.021	9%	0.088	C	C	.	.	H	α-helix	trans	-66.8	-43.3	171	-64.4	162.1	0	0	0	110.3	Y136 M137 Y138 K142 A143 L144 V162 L171 L218 M221	Y136-I140 VanDerWaalsContact O-CG1 3.25Å; Y136-I140 WeakPolarHBondContact O-CG1 3.46Å; Y136-I140 PolarHBondContact O-N 3.05Å; M137-I140 PolarHBondContact O-N 3.37Å; M137-I140 HydrophobicContact SD-CD1 4.45Å; Y138-I140 PolarHBondContact O-N 3.25Å; I140-K142 VanDerWaalsContact C-N 3.28Å; I140-K142 PolarHBondContact O-N 3.05Å; I140-A143 WeakPolarHBondContact O-CB 3.34Å; I140-A143 PolarHBondContact O-N 3.24Å; I140-L144 HydrophobicContact CG2-CD1 3.99Å; I140-L144 HydrophobicContact CG2-CG 4.16Å; I140-L144 WeakPolarHBondContact O-CG 3.37Å; I140-L144 PolarHBondContact O-N 3.32Å; I140-V162 HydrophobicContact CD1-CG1 4.09Å; I140-V162 HydrophobicContact CD1-CG2 4.17Å; I140-V162 HydrophobicContact CG1-CG1 4.13Å; I140-V162 HydrophobicContact CG1-CG2 4.35Å; I140-L171 HydrophobicContact CD1-CD1 4.29Å; I140-L171 HydrophobicContact CG1-CD1 3.66Å; I140-L171 HydrophobicContact CG1-CD2 4.03Å; I140-L171 HydrophobicContact CG1-CG 4.5Å; I140-L218 HydrophobicContact CB-CD1 4.26Å; I140-L218 HydrophobicContact CD1-CD1 4.42Å; I140-L218 HydrophobicContact CG2-CD1 3.68Å; I140-M221 HydrophobicContact CD1-CE 4.01Å
141	L	98.9	Very high	98.6	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-59.7	-37.1	178.2	-76.7	168.2	0	0	0	112.4	M137 Y138 A143 L144 D145 M215 L218 F300 A315 A318 M319 F324	M137-L141 VanDerWaalsContact O-CG 3.31Å; M137-L141 WeakPolarHBondContact O-CG 3.44Å; M137-L141 PolarHBondContact O-N 3.02Å; Y138-L141 WeakPolarHBondContact O-CB 3.27Å; Y138-L141 PolarHBondContact O-N 2.86Å; L141-A143 VanDerWaalsContact C-N 3.33Å; L141-A143 PolarHBondContact O-N 3.5Å; L141-L144 PolarHBondContact O-N 3.45Å; L141-D145 WeakPolarHBondContact O-CB 3.48Å; L141-D145 PolarHBondContact O-N 3.06Å; L141-M215 HydrophobicContact CD2-CE 3.75Å; L141-L218 HydrophobicContact CD2-CD2 3.37Å; L141-L218 HydrophobicContact CG-CD2 3.88Å; L141-F300 HydrophobicContact CD1-CZ 4.26Å; L141-A315 HydrophobicContact CD2-CB 4.24Å; L141-A318 HydrophobicContact CD1-CB 3.89Å; L141-A318 HydrophobicContact CD2-CB 3.62Å; L141-A318 HydrophobicContact CG-CB 4.44Å; L141-M319 HydrophobicContact CB-CG 3.57Å; L141-M319 HydrophobicContact CB-SD 4.18Å; L141-M319 HydrophobicContact CD1-CG 4.07Å; L141-M319 HydrophobicContact CG-CG 4.36Å; L141-F324 HydrophobicContact CD1-CD2 4.41Å; L141-F324 HydrophobicContact CD1-CE1 4.44Å; L141-F324 HydrophobicContact CD1-CE2 3.57Å; L141-F324 HydrophobicContact CD1-CZ 3.57Å
142	K	98.9	Very high	98.7	Very high	48 Å²	48	13.9 Å²	13.9	21%	0.209	7%	0.065	C	C	.	.	H	α-helix	trans	-58.2	-43.9	172.2	-70.7	176	-178.5	172.7	0	112.4	P92 Y138 E139 I140 Y146 M319	P92-K142 HydrophobicContact CB-CB 4.35Å; P92-K142 HydrophobicContact CG-CB 4.49Å; Y138-K142 PolarHBondContact O-N 3.48Å; E139-K142 WeakPolarHBondContact OE1-CE 3.46Å; E139-K142 IonicContact OE1-NZ 3.82Å; E139-K142 PolarHBondContact OE1-NZ 3.29Å; E139-K142 IonicContact OE2-NZ 3.65Å; I140-K142 VanDerWaalsContact C-N 3.28Å; I140-K142 PolarHBondContact O-N 3.05Å; K142-Y146 VanDerWaalsContact O-CB 3.29Å; K142-Y146 WeakPolarHBondContact O-CB 3.31Å; K142-Y146 PolarHBondContact O-N 3.34Å; K142-Y146 VanDerWaalsContact O-N 3.09Å; K142-M319 HydrophobicContact CG-CE 3.67Å; K142-M319 HydrophobicContact CG-SD 4.47Å
143	A	98.9	Very high	98.8	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-65.9	-42.1	177.6	0	0	0	0	0	111.7	P92 N93 I94 E139 I140 L141 C147 L173	P92-A143 WeakPolarHBondContact O-CA 3.28Å; N93-A143 HydrophobicContact CB-CB 4.14Å; I94-A143 HydrophobicContact CD1-CB 3.87Å; E139-A143 PolarHBondContact O-N 2.82Å; I140-A143 WeakPolarHBondContact O-CB 3.34Å; I140-A143 PolarHBondContact O-N 3.24Å; L141-A143 VanDerWaalsContact C-N 3.33Å; L141-A143 PolarHBondContact O-N 3.5Å; A143-C147 PolarHBondContact O-N 2.92Å; A143-C147 PolarHBondContact O-SG 2.92Å; A143-L173 HydrophobicContact CB-CB 4.13Å; A143-L173 HydrophobicContact CB-CD2 4.16Å
144	L	98.9	Very high	98.8	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-68.4	-48.8	179.7	-66.3	-179.3	0	0	0	112	I140 L141 Y146 C147 H148 V157 L173 D214 M215 L218 A315	I140-L144 HydrophobicContact CG2-CD1 3.99Å; I140-L144 HydrophobicContact CG2-CG 4.16Å; I140-L144 WeakPolarHBondContact O-CG 3.37Å; I140-L144 PolarHBondContact O-N 3.32Å; L141-L144 PolarHBondContact O-N 3.45Å; L144-Y146 VanDerWaalsContact C-N 3.25Å; L144-Y146 PolarHBondContact O-N 2.95Å; L144-C147 PolarHBondContact O-N 2.75Å; L144-C147 PolarHBondContact O-SG 3.45Å; L144-H148 VanDerWaalsContact O-CB 3.24Å; L144-H148 WeakPolarHBondContact O-CB 3.47Å; L144-H148 PolarHBondContact O-CD2 2.81Å; L144-H148 VanDerWaalsContact O-CD2 3.26Å; L144-H148 PolarHBondContact O-N 3.45Å; L144-H148 PolarHBondContact O-ND1 2.8Å; L144-V157 HydrophobicContact CD2-CG2 3.82Å; L144-L173 HydrophobicContact CD2-CD2 3.94Å; L144-D214 HydrophobicContact CD1-CB 4.46Å; L144-D214 HydrophobicContact CD2-CB 4.13Å; L144-M215 HydrophobicContact CD1-SD 4.33Å; L144-L218 HydrophobicContact CD1-CB 4.48Å; L144-L218 HydrophobicContact CD1-CD2 4.15Å; L144-A315 HydrophobicContact CB-CB 4.14Å
145	D	98.9	Very high	98.8	Very high	10 Å²	10	12.2 Å²	12.2	5%	0.053	6%	0.058	C	C	.	.	H	α-helix	trans	-59.6	-40.8	177.1	-173.5	52.7	0	0	0	111	Y12 L141 S149 A315 R316 M319	Y12-D145 PolarHBondContact OH-OD1 2.71Å; L141-D145 WeakPolarHBondContact O-CB 3.48Å; L141-D145 PolarHBondContact O-N 3.06Å; D145-S149 VanDerWaalsContact O-CB 3.24Å; D145-S149 WeakPolarHBondContact O-CB 3.34Å; D145-S149 PolarHBondContact O-N 2.89Å; D145-S149 PolarHBondContact O-OG 2.91Å; D145-A315 HydrophobicContact CB-CB 3.66Å; D145-R316 IonicContact OD2-CZ 3.3Å; D145-R316 VanDerWaalsContact OD2-CZ 3.25Å; D145-R316 IonicContact OD2-NE 2.81Å; D145-R316 PolarHBondContact OD2-NE 3.31Å; D145-R316 VanDerWaalsContact OD2-NE 3.1Å; D145-R316 IonicContact OD2-NH2 2.9Å; D145-R316 PolarHBondContact OD2-NH2 2.91Å; D145-M319 HydrophobicContact CB-SD 4.3Å
146	Y	98.9	Very high	98.8	Very high	56 Å²	56	11.6 Å²	11.6	22%	0.22	6%	0.055	C	C	.	.	H	α-helix	trans	-60.7	-53.9	174.8	-178.5	-104.1	0	0	0	112	L88 G91 P92 I94 K142 L144 H148 S149 M150	L88-Y146 HydrophobicContact CB-CE1 4.36Å; L88-Y146 HydrophobicContact CD2-CD1 4.11Å; L88-Y146 HydrophobicContact CD2-CE1 3.88Å; G91-Y146 VanDerWaalsContact CA-CZ 3.46Å; P92-Y146 HydrophobicContact CG-CD2 4.33Å; P92-Y146 HydrophobicContact CG-CG 4.09Å; I94-Y146 HydrophobicContact CD1-CD1 4.36Å; I94-Y146 HydrophobicContact CG1-CD1 3.95Å; I94-Y146 HydrophobicContact CG1-CE1 4.35Å; K142-Y146 VanDerWaalsContact O-CB 3.29Å; K142-Y146 WeakPolarHBondContact O-CB 3.31Å; K142-Y146 PolarHBondContact O-N 3.34Å; K142-Y146 VanDerWaalsContact O-N 3.09Å; L144-Y146 VanDerWaalsContact C-N 3.25Å; L144-Y146 PolarHBondContact O-N 2.95Å; Y146-H148 VanDerWaalsContact C-N 3.33Å; Y146-H148 PolarHBondContact O-N 2.96Å; Y146-S149 PolarHBondContact O-N 3.44Å; Y146-S149 PolarHBondContact O-OG 2.91Å; Y146-M150 HydrophobicContact CD1-CG 4.43Å; Y146-M150 HydrophobicContact CD2-CG 4.49Å; Y146-M150 HydrophobicContact CE1-CG 4.1Å; Y146-M150 HydrophobicContact CE2-CG 4.18Å; Y146-M150 WeakPolarHBondContact O-CB 3.42Å; Y146-M150 VanDerWaalsContact O-CG 3.25Å; Y146-M150 WeakPolarHBondContact O-CG 3.24Å; Y146-M150 PolarHBondContact O-N 2.81Å
147	C	98.9	Very high	98.8	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-66.6	-35.4	-177.6	74.1	0	0	0	0	112.6	L88 A143 L144 M150 G151 I152 W176	L88-C147 HydrophobicContact CD1-CB 3.95Å; L88-C147 HydrophobicContact CD2-CB 3.84Å; A143-C147 PolarHBondContact O-N 2.92Å; A143-C147 PolarHBondContact O-SG 2.92Å; L144-C147 PolarHBondContact O-N 2.75Å; L144-C147 PolarHBondContact O-SG 3.45Å; C147-M150 CarbonylContact O-C 3.53Å; C147-M150 WeakPolarHBondContact O-CA 3.37Å; C147-M150 PolarHBondContact O-N 3.04Å; C147-M150 VanDerWaalsContact O-N 3.16Å; C147-G151 PolarHBondContact O-N 3.42Å; C147-I152 CarbonylContact C-O 3.41Å; C147-I152 VanDerWaalsContact C-O 3.26Å; C147-I152 PolarHBondContact O-N 3.07Å; C147-I152 VanDerWaalsContact O-O 3.09Å; C147-W176 HydrophobicContact CB-CH2 3.59Å; C147-W176 HydrophobicContact CB-CZ3 3.77Å
148	H	98.9	Very high	98.8	Very high	4 Å²	4	12.7 Å²	12.7	2%	0.019	6%	0.06	C	C	.	.	H	α-helix	trans	-62.6	-45.5	173.9	-63.8	176.9	0	0	0	110.9	Y12 L144 Y146 M150 G151 I152 Y211 D214	Y12-H148 WeakPolarHBondContact CB-O 3.42Å; Y12-H148 VanDerWaalsContact CD2-C 3.47Å; Y12-H148 HydrophobicContact CD2-CB 3.82Å; Y12-H148 HydrophobicContact CE2-CB 3.98Å; L144-H148 VanDerWaalsContact O-CB 3.24Å; L144-H148 WeakPolarHBondContact O-CB 3.47Å; L144-H148 PolarHBondContact O-CD2 2.81Å; L144-H148 VanDerWaalsContact O-CD2 3.26Å; L144-H148 PolarHBondContact O-N 3.45Å; L144-H148 PolarHBondContact O-ND1 2.8Å; Y146-H148 VanDerWaalsContact C-N 3.33Å; Y146-H148 PolarHBondContact O-N 2.96Å; H148-M150 PolarHBondContact O-N 2.92Å; H148-G151 WeakPolarHBondContact O-CA 3.44Å; H148-G151 PolarHBondContact O-N 3Å; H148-I152 PolarHBondContact CD2-O 3.41Å; H148-I152 PolarHBondContact N-O 3.49Å; H148-Y211 HydrophobicContact CB-CD1 3.95Å; H148-Y211 HydrophobicContact CB-CE1 4.49Å; H148-Y211 HydrophobicContact CB-CG 4.13Å; H148-Y211 AromaticContact CD2-CD1 3.78Å; H148-Y211 PolarHBondContact CE1-O 2.73Å; H148-Y211 AromaticContact CG-CD1 3.91Å; H148-D214 IonicContact CD2-OD2 3.47Å; H148-D214 IonicContact CE1-OD2 3.28Å; H148-D214 IonicContact NE2-OD2 3.32Å; H148-D214 PolarHBondContact NE2-OD2 3.1Å
149	S	98.9	Very high	98.6	Very high	36 Å²	36	11.9 Å²	11.9	25%	0.252	6%	0.057	S	C	.	.	H	α-helix	trans	-63.1	-26.2	175.3	79.2	0	0	0	0	113.4	D145 Y146 G151	D145-S149 VanDerWaalsContact O-CB 3.24Å; D145-S149 WeakPolarHBondContact O-CB 3.34Å; D145-S149 PolarHBondContact O-N 2.89Å; D145-S149 PolarHBondContact O-OG 2.91Å; Y146-S149 PolarHBondContact O-N 3.44Å; Y146-S149 PolarHBondContact O-OG 2.91Å; S149-G151 PolarHBondContact O-N 3.09Å
150	M	98.9	Very high	98.4	Very high	26 Å²	26	17.6 Å²	17.6	13%	0.128	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	7.8	174	-66.9	-64.2	-81.4	0	0	112.9	Y23 N87 L88 Y146 C147 H148 I152	Y23-M150 WeakPolarHBondContact CE1-O 3.26Å; Y23-M150 HydrophobicContact CE2-CE 4.34Å; Y23-M150 WeakPolarHBondContact OH-CE 3.24Å; Y23-M150 PolarHBondContact OH-O 2.84Å; N87-M150 WeakPolarHBondContact O-CE 3.48Å; L88-M150 HydrophobicContact CD2-CB 3.68Å; L88-M150 HydrophobicContact CD2-CG 4.04Å; Y146-M150 HydrophobicContact CD1-CG 4.43Å; Y146-M150 HydrophobicContact CD2-CG 4.49Å; Y146-M150 HydrophobicContact CE1-CG 4.1Å; Y146-M150 HydrophobicContact CE2-CG 4.18Å; Y146-M150 WeakPolarHBondContact O-CB 3.42Å; Y146-M150 VanDerWaalsContact O-CG 3.25Å; Y146-M150 WeakPolarHBondContact O-CG 3.24Å; Y146-M150 PolarHBondContact O-N 2.81Å; C147-M150 CarbonylContact O-C 3.53Å; C147-M150 WeakPolarHBondContact O-CA 3.37Å; C147-M150 PolarHBondContact O-N 3.04Å; C147-M150 VanDerWaalsContact O-N 3.16Å; H148-M150 PolarHBondContact O-N 2.92Å; M150-I152 HydrophobicContact CB-CD1 4.49Å
151	G	98.9	Very high	98.3	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	78	21.5	175.1	0	0	0	0	0	114.3	N16 C147 H148 S149 F181 Y182	N16-G151 PolarHBondContact ND2-O 3.3Å; C147-G151 PolarHBondContact O-N 3.42Å; H148-G151 WeakPolarHBondContact O-CA 3.44Å; H148-G151 PolarHBondContact O-N 3Å; S149-G151 PolarHBondContact O-N 3.09Å; G151-F181 CarbonylContact O-C 3.58Å; G151-F181 WeakPolarHBondContact O-CA 3.35Å; G151-Y182 PolarHBondContact O-N 3.01Å
152	I	98.9	Very high	98.2	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	131.9	-172.1	-66.7	157	0	0	0	110.3	I84 N87 L88 C147 H148 M150 W176 A179 E180 F181	I84-I152 HydrophobicContact CD1-CG2 4.22Å; I84-I152 HydrophobicContact CG1-CD1 4.26Å; I84-I152 HydrophobicContact CG1-CG1 4.39Å; I84-I152 HydrophobicContact CG1-CG2 4.4Å; I84-I152 HydrophobicContact CG2-CD1 4.21Å; I84-I152 HydrophobicContact CG2-CG2 3.93Å; N87-I152 HydrophobicContact CB-CD1 4.37Å; L88-I152 HydrophobicContact CD1-CD1 4.12Å; L88-I152 HydrophobicContact CD1-CG2 4.29Å; L88-I152 HydrophobicContact CD2-CD1 3.76Å; L88-I152 HydrophobicContact CG-CD1 3.77Å; C147-I152 CarbonylContact C-O 3.41Å; C147-I152 VanDerWaalsContact C-O 3.26Å; C147-I152 PolarHBondContact O-N 3.07Å; C147-I152 VanDerWaalsContact O-O 3.09Å; H148-I152 PolarHBondContact CD2-O 3.41Å; H148-I152 PolarHBondContact N-O 3.49Å; M150-I152 HydrophobicContact CB-CD1 4.49Å; I152-W176 HydrophobicContact CG2-CE3 4.32Å; I152-W176 HydrophobicContact CG2-CZ3 4.1Å; I152-A179 HydrophobicContact CG2-CB 4.17Å; I152-E180 CarbonylContact C-O 3.59Å; I152-E180 WeakPolarHBondContact CA-O 3.31Å; I152-F181 HydrophobicContact CD1-CD1 4.38Å; I152-F181 HydrophobicContact CD1-CE1 3.84Å; I152-F181 HydrophobicContact CD1-CZ 4.38Å; I152-F181 HydrophobicContact CG1-CD1 3.77Å; I152-F181 HydrophobicContact CG1-CE1 3.74Å; I152-F181 HydrophobicContact CG1-CZ 4.46Å
153	M	98.9	Very high	98.1	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.005	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	136.5	169.4	-56.5	176	-77.4	0	0	109.4	R155 A179 E180 Y182 Y188 Y209 D210 Y211	M153-R155 HydrophobicContact CB-CG 3.76Å; M153-A179 CarbonylContact O-C 3.57Å; M153-A179 WeakPolarHBondContact O-CA 3.45Å; M153-A179 VanDerWaalsContact O-CB 3.24Å; M153-A179 WeakPolarHBondContact O-CB 3.47Å; M153-E180 HydrophobicContact CE-CB 4.23Å; M153-E180 PolarHBondContact N-O 3Å; M153-E180 PolarHBondContact O-N 3.25Å; M153-Y182 HydrophobicContact CE-CD2 4.15Å; M153-Y182 HydrophobicContact SD-CD2 4.17Å; M153-Y188 HydrophobicContact CE-CD1 4.2Å; M153-Y188 HydrophobicContact CE-CD2 4.15Å; M153-Y188 HydrophobicContact CE-CE1 3.89Å; M153-Y188 HydrophobicContact CE-CE2 3.84Å; M153-Y188 HydrophobicContact CE-CG 4.33Å; M153-Y209 HydrophobicContact CE-CE2 4.47Å; M153-Y209 HydrophobicContact SD-CD2 4.28Å; M153-Y209 HydrophobicContact SD-CE2 4.36Å; M153-D210 WeakPolarHBondContact SD-CA 3.49Å; M153-Y211 HydrophobicContact CG-CD1 3.53Å; M153-Y211 HydrophobicContact CG-CE1 4.05Å; M153-Y211 HydrophobicContact CG-CG 4.28Å
154	H	98.9	Very high	97.9	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.088	C	C	.	.			trans	-75.7	-43.3	179.7	-174.5	-89.2	0	0	0	112.2	D156 V157 I174 W176 L178 A179 D214	H154-D156 PolarHBondContact CE1-O 2.81Å; H154-D156 VanDerWaalsContact ND1-C 3.28Å; H154-D156 PolarHBondContact ND1-N 2.93Å; H154-D156 PolarHBondContact O-N 2.91Å; H154-D156 VanDerWaalsContact O-N 3.13Å; H154-V157 HydrophobicContact CB-CG2 3.88Å; H154-V157 PolarHBondContact ND1-N 3.36Å; H154-I174 PolarHBondContact NE2-O 3.2Å; H154-W176 HydrophobicContact CB-CZ3 4.19Å; H154-W176 AromaticContact CD2-CD2 3.77Å; H154-W176 AromaticContact CD2-CE2 3.87Å; H154-W176 AromaticContact CD2-CE3 3.64Å; H154-W176 AromaticContact CD2-CH2 3.75Å; H154-W176 AromaticContact CD2-CZ2 3.86Å; H154-W176 AromaticContact CD2-CZ3 3.64Å; H154-L178 CarbonylContact O-C 3.58Å; H154-A179 WeakPolarHBondContact O-CA 3.38Å; H154-A179 PolarHBondContact O-N 2.83Å; H154-D214 PolarHBondContact N-OD2 2.81Å
155	R	98.8	Very high	97.8	Very high	6 Å²	6	18.8 Å²	18.8	2%	0.023	9%	0.092	C	C	.	.	S	Bend	trans	61.8	9.2	175.8	-49.5	-164.1	-59.4	-171.9	-13.3	117.2	M153 L178 E180 V192 A193 Y209 L213 D214	M153-R155 HydrophobicContact CB-CG 3.76Å; R155-L178 VanDerWaalsContact CZ-O 3.23Å; R155-L178 PolarHBondContact NE-O 3.43Å; R155-L178 PolarHBondContact NH2-O 2.96Å; R155-E180 IonicContact CZ-OE2 3.51Å; R155-E180 IonicContact NH1-OE2 2.73Å; R155-E180 IonicContact NH2-OE2 3.61Å; R155-E180 PolarHBondContact NH2-OE2 2.96Å; R155-V192 HydrophobicContact CB-CB 4.25Å; R155-V192 HydrophobicContact CB-CG2 4.18Å; R155-A193 VanDerWaalsContact O-CA 3.28Å; R155-A193 WeakPolarHBondContact O-CA 3.29Å; R155-A193 WeakPolarHBondContact O-CB 3.17Å; R155-A193 PolarHBondContact O-N 2.93Å; R155-Y209 PolarHBondContact NH1-OH 2.63Å; R155-L213 HydrophobicContact CB-CD2 4.28Å; R155-L213 HydrophobicContact CG-CD2 4.16Å; R155-D214 WeakPolarHBondContact CA-OD1 3.47Å; R155-D214 PolarHBondContact N-OD1 3.24Å
156	D	98.5	Very high	97.6	Very high	7 Å²	7	21 Å²	21	4%	0.037	10%	0.101	C	C	.	.			trans	-148.9	40.8	170.8	-161.9	33.2	0	0	0	111.7	H154 K158 N161 L178 A193 S194	H154-D156 PolarHBondContact CE1-O 2.81Å; H154-D156 VanDerWaalsContact ND1-C 3.28Å; H154-D156 PolarHBondContact ND1-N 2.93Å; H154-D156 PolarHBondContact O-N 2.91Å; H154-D156 VanDerWaalsContact O-N 3.13Å; D156-K158 VanDerWaalsContact CG-NZ 3.34Å; D156-K158 PolarHBondContact O-N 3.03Å; D156-K158 IonicContact OD1-NZ 2.67Å; D156-K158 PolarHBondContact OD1-NZ 3.46Å; D156-K158 IonicContact OD2-NZ 3.65Å; D156-K158 PolarHBondContact OD2-NZ 2.58Å; D156-N161 PolarHBondContact O-ND2 3.17Å; D156-N161 PolarHBondContact OD2-ND2 3.25Å; D156-N161 VanDerWaalsContact OD2-ND2 3.15Å; D156-L178 HydrophobicContact CB-CB 4.25Å; D156-L178 HydrophobicContact CB-CD1 3.91Å; D156-A193 WeakPolarHBondContact OD1-CA 3.49Å; D156-S194 PolarHBondContact OD1-N 2.89Å; D156-S194 VanDerWaalsContact OD1-N 3.1Å; D156-S194 PolarHBondContact OD1-OG 2.84Å; D156-S194 VanDerWaalsContact OD1-OG 3.11Å
157	V	98.7	Very high	97.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.127	C	C	.	.			trans	-65.5	122	173.6	179.3	0	0	0	0	108.6	L144 H154 D214 S217 M221	L144-V157 HydrophobicContact CD2-CG2 3.82Å; H154-V157 HydrophobicContact CB-CG2 3.88Å; H154-V157 PolarHBondContact ND1-N 3.36Å; V157-D214 HydrophobicContact CG2-CB 3.97Å; V157-S217 WeakPolarHBondContact O-CB 3.34Å; V157-M221 HydrophobicContact CG1-SD 3.91Å
158	K	96.9	Very high	97.1	Very high	29 Å²	29	30.8 Å²	30.8	13%	0.126	15%	0.149	C	C	.	.	S	Bend	trans	-166.7	163.9	180	68.4	-165.2	-177.3	-155.4	0	109.2	D156 H160 N161 S194 F197 M221	D156-K158 VanDerWaalsContact CG-NZ 3.34Å; D156-K158 PolarHBondContact O-N 3.03Å; D156-K158 IonicContact OD1-NZ 2.67Å; D156-K158 PolarHBondContact OD1-NZ 3.46Å; D156-K158 IonicContact OD2-NZ 3.65Å; D156-K158 PolarHBondContact OD2-NZ 2.58Å; K158-H160 VanDerWaalsContact C-N 3.27Å; K158-H160 HydrophobicContact CG-CB 4.29Å; K158-H160 PolarHBondContact O-N 3.13Å; K158-H160 VanDerWaalsContact O-N 3.15Å; K158-N161 WeakPolarHBondContact CE-ND2 3.38Å; K158-N161 HydrophobicContact CG-CB 4.2Å; K158-N161 PolarHBondContact O-N 2.77Å; K158-S194 WeakPolarHBondContact CD-OG 3.29Å; K158-S194 PolarHBondContact NZ-OG 3.41Å; K158-F197 HydrophobicContact CB-CD1 4.31Å; K158-F197 HydrophobicContact CB-CD2 3.69Å; K158-F197 HydrophobicContact CB-CE1 4.37Å; K158-F197 HydrophobicContact CB-CE2 3.74Å; K158-F197 HydrophobicContact CB-CG 4Å; K158-F197 HydrophobicContact CB-CZ 4.11Å; K158-M221 VanDerWaalsContact C-SD 3.58Å
159	P	95.7	Very high	96.9	Very high	4 Å²	4	34.3 Å²	34.3	3%	0.026	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-58.1	-35.5	-176	-25.2	33.4	0	0	0	115	F121 N161 V162 F197 M221	F121-P159 HydrophobicContact CB-CB 4.23Å; F121-P159 HydrophobicContact CD1-CB 3.26Å; F121-P159 HydrophobicContact CD1-CG 4.01Å; F121-P159 HydrophobicContact CD2-CB 3.78Å; F121-P159 HydrophobicContact CE1-CB 3.36Å; F121-P159 HydrophobicContact CE1-CG 3.6Å; F121-P159 HydrophobicContact CE2-CB 3.86Å; F121-P159 HydrophobicContact CE2-CG 4.44Å; F121-P159 HydrophobicContact CG-CB 3.47Å; F121-P159 VanDerWaalsContact CG-CB 3.47Å; F121-P159 HydrophobicContact CZ-CB 3.65Å; F121-P159 HydrophobicContact CZ-CG 3.84Å; P159-N161 PolarHBondContact O-N 3.33Å; P159-V162 PolarHBondContact O-N 3.35Å; P159-V162 VanDerWaalsContact O-N 3.1Å; P159-F197 HydrophobicContact CG-CE1 4.39Å; P159-F197 HydrophobicContact CG-CZ 4Å; P159-M221 HydrophobicContact CB-CE 4.42Å; P159-M221 HydrophobicContact CG-CE 4.13Å; P159-M221 HydrophobicContact CG-CG 4.09Å; P159-M221 HydrophobicContact CG-SD 4.43Å
160	H	93.7	Very high	96.7	Very high	138 Å²	138	38.2 Å²	38.2	64%	0.639	18%	0.175	S	C	*	.	G	3₁₀ helix	trans	-65.9	-20.4	178.7	-67.7	68.4	0	0	0	113.7	K158	K158-H160 VanDerWaalsContact C-N 3.27Å; K158-H160 HydrophobicContact CG-CB 4.29Å; K158-H160 PolarHBondContact O-N 3.13Å; K158-H160 VanDerWaalsContact O-N 3.15Å
161	N	96.8	Very high	96.6	Very high	9 Å²	9	37 Å²	37	5%	0.048	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-100	10.3	178.9	-71.3	-6.5	0	0	0	112	D156 K158 P159 L173 I174	D156-N161 PolarHBondContact O-ND2 3.17Å; D156-N161 PolarHBondContact OD2-ND2 3.25Å; D156-N161 VanDerWaalsContact OD2-ND2 3.15Å; K158-N161 WeakPolarHBondContact CE-ND2 3.38Å; K158-N161 HydrophobicContact CG-CB 4.2Å; K158-N161 PolarHBondContact O-N 2.77Å; P159-N161 PolarHBondContact O-N 3.33Å; N161-L173 WeakPolarHBondContact O-CD1 3.41Å; N161-I174 HydrophobicContact CB-CG1 4.21Å; N161-I174 VanDerWaalsContact O-CG1 3.28Å; N161-I174 WeakPolarHBondContact O-CG1 3.04Å; N161-I174 PolarHBondContact O-N 3.17Å
162	V	97.1	Very high	96.6	Very high	4 Å²	4	39.7 Å²	39.7	2%	0.024	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	105.9	175.4	-179.7	0	0	0	0	108.1	I140 P159 I164 L171 L173 M221	I140-V162 HydrophobicContact CD1-CG1 4.09Å; I140-V162 HydrophobicContact CD1-CG2 4.17Å; I140-V162 HydrophobicContact CG1-CG1 4.13Å; I140-V162 HydrophobicContact CG1-CG2 4.35Å; P159-V162 PolarHBondContact O-N 3.35Å; P159-V162 VanDerWaalsContact O-N 3.1Å; V162-I164 HydrophobicContact CG1-CD1 4.14Å; V162-I164 HydrophobicContact CG1-CG1 3.96Å; V162-L171 HydrophobicContact CG1-CD1 3.51Å; V162-L171 HydrophobicContact CG1-CD2 4.1Å; V162-L171 HydrophobicContact CG1-CG 3.74Å; V162-L173 HydrophobicContact CG2-CD1 4.2Å; V162-M221 HydrophobicContact CG2-CE 4.06Å
163	M	96.3	Very high	96.6	Very high	44 Å²	44	39.7 Å²	39.7	22%	0.217	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	128.5	177	-66.5	-69.5	156.2	0	0	109.4	V116 N118 L171 R172 I174	V116-M163 HydrophobicContact CB-CB 4.49Å; V116-M163 HydrophobicContact CG1-CB 3.82Å; N118-M163 HydrophobicContact CB-SD 3.53Å; N118-M163 VanDerWaalsContact CB-SD 3.53Å; N118-M163 WeakPolarHBondContact OD1-CA 3.37Å; N118-M163 PolarHBondContact OD1-SD 2.72Å; N118-M163 VanDerWaalsContact OD1-SD 3.41Å; M163-L171 CarbonylContact O-C 3.53Å; M163-L171 WeakPolarHBondContact O-CA 3.39Å; M163-R172 HydrophobicContact CB-CB 4.38Å; M163-R172 PolarHBondContact N-O 3.09Å; M163-R172 PolarHBondContact O-N 2.51Å; M163-I174 HydrophobicContact CB-CG2 4.32Å; M163-I174 HydrophobicContact CE-CD1 3.3Å; M163-I174 HydrophobicContact CE-CG1 4.32Å; M163-I174 HydrophobicContact CG-CD1 3.98Å; M163-I174 HydrophobicContact CG-CG1 4.2Å; M163-I174 HydrophobicContact CG-CG2 3.64Å; M163-I174 HydrophobicContact SD-CD1 4.46Å
164	I	96.1	Very high	96.6	Very high	5 Å²	5	41.2 Å²	41.2	3%	0.026	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	118.4	-176.9	-58.6	176.4	0	0	0	110	N118 T119 L124 Y136 V162 H166 K170 L171	N118-I164 WeakPolarHBondContact CA-O 3.49Å; N118-I164 PolarHBondContact OD1-N 2.68Å; T119-I164 PolarHBondContact N-O 2.88Å; L124-I164 HydrophobicContact CD2-CB 3.82Å; L124-I164 HydrophobicContact CD2-CD1 3.84Å; L124-I164 HydrophobicContact CD2-CG1 4.4Å; L124-I164 HydrophobicContact CD2-CG2 3.59Å; Y136-I164 HydrophobicContact CD1-CD1 4.18Å; Y136-I164 HydrophobicContact CD1-CG1 4.43Å; Y136-I164 HydrophobicContact CD1-CG2 4.1Å; Y136-I164 HydrophobicContact CD2-CD1 4.46Å; Y136-I164 HydrophobicContact CE1-CG2 3.46Å; Y136-I164 VanDerWaalsContact CE1-CG2 3.46Å; Y136-I164 HydrophobicContact CE2-CG2 4.22Å; Y136-I164 HydrophobicContact CG-CD1 4.14Å; V162-I164 HydrophobicContact CG1-CD1 4.14Å; V162-I164 HydrophobicContact CG1-CG1 3.96Å; I164-H166 HydrophobicContact CG2-CB 4.27Å; I164-K170 WeakPolarHBondContact CA-O 3.11Å; I164-L171 HydrophobicContact CD1-CD1 4.41Å; I164-L171 HydrophobicContact CG1-CD1 4.15Å; I164-L171 HydrophobicContact CG1-CG 4.45Å
165	D	95.5	Very high	96.5	Very high	15 Å²	15	43.7 Å²	43.7	8%	0.08	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	93.2	162.5	-176.1	-26.8	0	0	0	106.9	N117 E167 H168 R169 K170	N117-D165 HydrophobicContact CB-CB 4.12Å; N117-D165 WeakPolarHBondContact CB-OD2 3.49Å; N117-D165 PolarHBondContact ND2-OD2 2.72Å; N117-D165 VanDerWaalsContact ND2-OD2 3.07Å; D165-E167 VanDerWaalsContact C-N 3.33Å; D165-E167 PolarHBondContact O-N 2.71Å; D165-E167 PolarHBondContact OD1-N 3.07Å; D165-H168 VanDerWaalsContact CG-ND1 3.27Å; D165-H168 PolarHBondContact O-N 2.85Å; D165-H168 IonicContact OD1-CE1 3.27Å; D165-H168 IonicContact OD1-CG 3.91Å; D165-H168 PolarHBondContact OD1-N 2.79Å; D165-H168 VanDerWaalsContact OD1-N 3.11Å; D165-H168 IonicContact OD1-ND1 3.72Å; D165-H168 PolarHBondContact OD1-ND1 2.93Å; D165-H168 IonicContact OD2-CE1 3.26Å; D165-H168 IonicContact OD2-CG 2.64Å; D165-H168 IonicContact OD2-ND1 2.87Å; D165-H168 PolarHBondContact OD2-ND1 2.82Å; D165-R169 WeakPolarHBondContact O-CA 3.34Å; D165-R169 PolarHBondContact O-N 2.83Å; D165-K170 HydrophobicContact CB-CB 4.22Å; D165-K170 PolarHBondContact N-O 2.87Å; D165-K170 PolarHBondContact O-N 3.32Å
166	H	94.9	Very high	96.4	Very high	56 Å²	56	43.5 Å²	43.5	26%	0.259	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-34	-172.1	-171.6	67.3	0	0	0	112.5	L124 Y136 I164 H168 R169	L124-H166 HydrophobicContact CD1-CB 3.87Å; L124-H166 HydrophobicContact CD2-CB 4.37Å; Y136-H166 AromaticContact CE2-CE1 3.97Å; Y136-H166 AromaticContact CE2-ND1 3.49Å; Y136-H166 WeakPolarHBondContact CE2-ND1 3.39Å; Y136-H166 AromaticContact CZ-ND1 3.57Å; Y136-H166 WeakPolarHBondContact OH-CA 3.47Å; Y136-H166 PolarHBondContact OH-ND1 3.07Å; I164-H166 HydrophobicContact CG2-CB 4.27Å; H166-H168 VanDerWaalsContact C-N 3.32Å; H166-H168 PolarHBondContact O-N 3.5Å; H166-R169 PolarHBondContact O-N 2.84Å
167	E	93	Very high	96.4	Very high	164 Å²	164	43.3 Å²	43.3	77%	0.766	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-43.8	177.3	-177.7	178.7	-168.9	0	0	111.1	D165	D165-E167 VanDerWaalsContact C-N 3.33Å; D165-E167 PolarHBondContact O-N 2.71Å; D165-E167 PolarHBondContact OD1-N 3.07Å
168	H	94.6	Very high	96.3	Very high	98 Å²	98	44.7 Å²	44.7	45%	0.454	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	4	-178.7	-57.1	91.5	0	0	0	113.9	D165 H166 K170	D165-H168 VanDerWaalsContact CG-ND1 3.27Å; D165-H168 PolarHBondContact O-N 2.85Å; D165-H168 IonicContact OD1-CE1 3.27Å; D165-H168 IonicContact OD1-CG 3.91Å; D165-H168 PolarHBondContact OD1-N 2.79Å; D165-H168 VanDerWaalsContact OD1-N 3.11Å; D165-H168 IonicContact OD1-ND1 3.72Å; D165-H168 PolarHBondContact OD1-ND1 2.93Å; D165-H168 IonicContact OD2-CE1 3.26Å; D165-H168 IonicContact OD2-CG 2.64Å; D165-H168 IonicContact OD2-ND1 2.87Å; D165-H168 PolarHBondContact OD2-ND1 2.82Å; H166-H168 VanDerWaalsContact C-N 3.32Å; H166-H168 PolarHBondContact O-N 3.5Å; H168-K170 HydrophobicContact CB-CD 4.26Å; H168-K170 HydrophobicContact CB-CG 4.18Å; H168-K170 PolarHBondContact O-N 2.93Å
169	R	94.3	Very high	96.4	Very high	78 Å²	78	43.3 Å²	43.3	29%	0.294	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	39.3	-174.1	-54.5	-168.6	71.1	80.3	-0.8	113.7	D132 F135 D165 H166	D132-R169 IonicContact OD1-CZ 3.87Å; D132-R169 IonicContact OD1-NH1 2.95Å; D132-R169 PolarHBondContact OD1-NH1 3.49Å; D132-R169 IonicContact OD1-NH2 3.57Å; D132-R169 PolarHBondContact OD1-NH2 3.5Å; F135-R169 VanDerWaalsContact CB-NH2 3.27Å; F135-R169 VanDerWaalsContact CD1-NH2 3.26Å; F135-R169 HydrophobicContact CE1-CB 3.79Å; F135-R169 HydrophobicContact CZ-CB 3.82Å; D165-R169 WeakPolarHBondContact O-CA 3.34Å; D165-R169 PolarHBondContact O-N 2.83Å; H166-R169 PolarHBondContact O-N 2.84Å
170	K	95.4	Very high	96.6	Very high	119 Å²	119	43.8 Å²	43.8	52%	0.517	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	144.4	178.4	-66.8	178.7	179.8	173.6	0	111.4	I164 D165 H168	I164-K170 WeakPolarHBondContact CA-O 3.11Å; D165-K170 HydrophobicContact CB-CB 4.22Å; D165-K170 PolarHBondContact N-O 2.87Å; D165-K170 PolarHBondContact O-N 3.32Å; H168-K170 HydrophobicContact CB-CD 4.26Å; H168-K170 HydrophobicContact CB-CG 4.18Å; H168-K170 PolarHBondContact O-N 2.93Å
171	L	97.4	Very high	96.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	143.8	179.2	-172.3	145.3	0	0	0	111.1	N93 Y136 E139 I140 V162 M163 I164	N93-L171 HydrophobicContact CB-CD2 4.05Å; N93-L171 PolarHBondContact OD1-O 3.24Å; Y136-L171 HydrophobicContact CD1-CD1 3.86Å; Y136-L171 HydrophobicContact CG-CD1 4.47Å; E139-L171 HydrophobicContact CB-CB 4.16Å; E139-L171 HydrophobicContact CB-CD1 4.2Å; I140-L171 HydrophobicContact CD1-CD1 4.29Å; I140-L171 HydrophobicContact CG1-CD1 3.66Å; I140-L171 HydrophobicContact CG1-CD2 4.03Å; I140-L171 HydrophobicContact CG1-CG 4.5Å; V162-L171 HydrophobicContact CG1-CD1 3.51Å; V162-L171 HydrophobicContact CG1-CD2 4.1Å; V162-L171 HydrophobicContact CG1-CG 3.74Å; M163-L171 CarbonylContact O-C 3.53Å; M163-L171 WeakPolarHBondContact O-CA 3.39Å; I164-L171 HydrophobicContact CD1-CD1 4.41Å; I164-L171 HydrophobicContact CG1-CD1 4.15Å; I164-L171 HydrophobicContact CG1-CG 4.45Å
172	R	98.4	Very high	96.9	Very high	56 Å²	56	37.2 Å²	37.2	21%	0.211	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	128.3	167.7	-67.6	-66.7	-172.1	-89	-2.4	111	N93 I94 I95 E114 V116 M163 I174	N93-R172 CarbonylContact O-C 3.26Å; N93-R172 WeakPolarHBondContact O-CA 3.36Å; I94-R172 WeakPolarHBondContact O-CD 3.3Å; I95-R172 HydrophobicContact CD1-CB 4.35Å; I95-R172 HydrophobicContact CD1-CG 4.37Å; E114-R172 IonicContact OE1-CZ 3.25Å; E114-R172 IonicContact OE1-NE 3.1Å; E114-R172 PolarHBondContact OE1-NE 3.3Å; E114-R172 IonicContact OE1-NH2 3.14Å; E114-R172 IonicContact OE2-CZ 3.01Å; E114-R172 IonicContact OE2-NE 2.66Å; E114-R172 IonicContact OE2-NH2 3.34Å; E114-R172 PolarHBondContact OE2-NH2 3.49Å; V116-R172 HydrophobicContact CG1-CB 4.44Å; V116-R172 HydrophobicContact CG1-CG 4.18Å; V116-R172 HydrophobicContact CG2-CB 4.35Å; V116-R172 HydrophobicContact CG2-CG 3.84Å; M163-R172 HydrophobicContact CB-CB 4.38Å; M163-R172 PolarHBondContact N-O 3.09Å; M163-R172 PolarHBondContact O-N 2.51Å; R172-I174 HydrophobicContact CB-CG2 4.26Å
173	L	98.6	Very high	97	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	123.4	164.6	-175.3	62.1	0	0	0	108.9	N93 I95 A143 L144 N161 V162 W176	N93-L173 PolarHBondContact O-N 2.98Å; I95-L173 PolarHBondContact N-O 3.09Å; A143-L173 HydrophobicContact CB-CB 4.13Å; A143-L173 HydrophobicContact CB-CD2 4.16Å; L144-L173 HydrophobicContact CD2-CD2 3.94Å; N161-L173 WeakPolarHBondContact O-CD1 3.41Å; V162-L173 HydrophobicContact CG2-CD1 4.2Å; L173-W176 HydrophobicContact CB-CZ2 4.34Å; L173-W176 HydrophobicContact CD2-CH2 3.88Å; L173-W176 HydrophobicContact CD2-CZ2 3.75Å; L173-W176 HydrophobicContact CG-CZ2 3.96Å; L173-W176 PolarHBondContact O-NE1 3.13Å
174	I	98.2	Very high	97.1	Very high	34 Å²	34	37.9 Å²	37.9	17%	0.174	18%	0.176	C	C	.	.			trans	-120.4	174.5	-173.1	70.7	152.6	0	0	0	112.2	I95 H154 N161 M163 R172	I95-I174 HydrophobicContact CB-CG2 4.01Å; I95-I174 HydrophobicContact CD1-CG2 4.23Å; I95-I174 HydrophobicContact CG1-CG2 4.23Å; I95-I174 HydrophobicContact CG2-CB 4.47Å; I95-I174 HydrophobicContact CG2-CG2 4.4Å; H154-I174 PolarHBondContact NE2-O 3.2Å; N161-I174 HydrophobicContact CB-CG1 4.21Å; N161-I174 VanDerWaalsContact O-CG1 3.28Å; N161-I174 WeakPolarHBondContact O-CG1 3.04Å; N161-I174 PolarHBondContact O-N 3.17Å; M163-I174 HydrophobicContact CB-CG2 4.32Å; M163-I174 HydrophobicContact CE-CD1 3.3Å; M163-I174 HydrophobicContact CE-CG1 4.32Å; M163-I174 HydrophobicContact CG-CD1 3.98Å; M163-I174 HydrophobicContact CG-CG1 4.2Å; M163-I174 HydrophobicContact CG-CG2 3.64Å; M163-I174 HydrophobicContact SD-CD1 4.46Å; R172-I174 HydrophobicContact CB-CG2 4.26Å
175	D	96.7	Very high	97.2	Very high	52 Å²	52	39.8 Å²	39.8	28%	0.278	20%	0.197	S	C	.	.			trans	60	68.7	174.8	-161.1	9.9	0	0	0	115.3	K68 G177	K68-D175 IonicContact NZ-OD1 2.75Å; K68-D175 PolarHBondContact NZ-OD1 2.97Å; D175-G177 PolarHBondContact O-N 3.43Å
176	W	98.4	Very high	97.3	Very high	1 Å²	1	42.6 Å²	42.6	0%	0.004	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-79	12.3	177.1	-62.3	82.6	0	0	0	113.8	I84 L85 L88 I94 C147 I152 H154 L173 L178 A179	I84-W176 HydrophobicContact CG2-CB 4.12Å; I84-W176 HydrophobicContact CG2-CD2 4.25Å; I84-W176 HydrophobicContact CG2-CE3 3.77Å; I84-W176 HydrophobicContact CG2-CG 4.41Å; L85-W176 HydrophobicContact CD2-CB 4.18Å; L85-W176 VanDerWaalsContact CD2-CD1 3.44Å; L85-W176 HydrophobicContact CD2-CG 3.89Å; L85-W176 HydrophobicContact CG-CB 4.25Å; L85-W176 HydrophobicContact CG-CG 4.45Å; L88-W176 HydrophobicContact CD1-CD2 3.97Å; L88-W176 HydrophobicContact CD1-CE3 3.49Å; L88-W176 VanDerWaalsContact CD1-CE3 3.49Å; L88-W176 HydrophobicContact CD1-CH2 3.53Å; L88-W176 HydrophobicContact CD1-CZ2 3.99Å; L88-W176 HydrophobicContact CD1-CZ3 3.25Å; I94-W176 HydrophobicContact CD1-CH2 3.76Å; I94-W176 HydrophobicContact CD1-CZ2 3.45Å; I94-W176 VanDerWaalsContact CD1-CZ2 3.45Å; I94-W176 HydrophobicContact CG2-CZ2 3.96Å; C147-W176 HydrophobicContact CB-CH2 3.59Å; C147-W176 HydrophobicContact CB-CZ3 3.77Å; I152-W176 HydrophobicContact CG2-CE3 4.32Å; I152-W176 HydrophobicContact CG2-CZ3 4.1Å; H154-W176 HydrophobicContact CB-CZ3 4.19Å; H154-W176 AromaticContact CD2-CD2 3.77Å; H154-W176 AromaticContact CD2-CE2 3.87Å; H154-W176 AromaticContact CD2-CE3 3.64Å; H154-W176 AromaticContact CD2-CH2 3.75Å; H154-W176 AromaticContact CD2-CZ2 3.86Å; H154-W176 AromaticContact CD2-CZ3 3.64Å; L173-W176 HydrophobicContact CB-CZ2 4.34Å; L173-W176 HydrophobicContact CD2-CH2 3.88Å; L173-W176 HydrophobicContact CD2-CZ2 3.75Å; L173-W176 HydrophobicContact CG-CZ2 3.96Å; L173-W176 PolarHBondContact O-NE1 3.13Å; W176-L178 PolarHBondContact O-N 2.95Å; W176-A179 HydrophobicContact CB-CB 4.28Å; W176-A179 HydrophobicContact CE3-CB 3.8Å; W176-A179 VanDerWaalsContact O-CB 3.29Å; W176-A179 WeakPolarHBondContact O-CB 2.99Å; W176-A179 PolarHBondContact O-N 2.94Å; W176-A179 VanDerWaalsContact O-N 3.09Å
177	G	97.4	Very high	97.5	Very high	3 Å²	3	45.6 Å²	45.6	3%	0.031	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-68.9	-16.2	-175.4	0	0	0	0	0	115	K77 E81 D175	K77-G177 WeakPolarHBondContact CE-O 3.25Å; E81-G177 VanDerWaalsContact CD-CA 3.46Å; E81-G177 WeakPolarHBondContact OE2-CA 3.45Å; D175-G177 PolarHBondContact O-N 3.43Å
178	L	97.9	Very high	97.8	Very high	30 Å²	30	38 Å²	38	16%	0.157	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-104.6	-5.2	172.3	-66.8	-176.2	0	0	0	113.5	H154 R155 D156 W176	H154-L178 CarbonylContact O-C 3.58Å; R155-L178 VanDerWaalsContact CZ-O 3.23Å; R155-L178 PolarHBondContact NE-O 3.43Å; R155-L178 PolarHBondContact NH2-O 2.96Å; D156-L178 HydrophobicContact CB-CB 4.25Å; D156-L178 HydrophobicContact CB-CD1 3.91Å; W176-L178 PolarHBondContact O-N 2.95Å
179	A	98.8	Very high	97.9	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.191	C	C	.	.			trans	-62.6	162	179.8	0	0	0	0	0	112.4	R80 I84 I152 M153 H154 W176	R80-A179 WeakPolarHBondContact CD-O 3.48Å; R80-A179 PolarHBondContact NE-O 3.17Å; R80-A179 VanDerWaalsContact NE-O 3.09Å; I84-A179 HydrophobicContact CD1-CB 3.66Å; I84-A179 HydrophobicContact CG2-CB 4.17Å; I152-A179 HydrophobicContact CG2-CB 4.17Å; M153-A179 CarbonylContact O-C 3.57Å; M153-A179 WeakPolarHBondContact O-CA 3.45Å; M153-A179 VanDerWaalsContact O-CB 3.24Å; M153-A179 WeakPolarHBondContact O-CB 3.47Å; H154-A179 WeakPolarHBondContact O-CA 3.38Å; H154-A179 PolarHBondContact O-N 2.83Å; W176-A179 HydrophobicContact CB-CB 4.28Å; W176-A179 HydrophobicContact CE3-CB 3.8Å; W176-A179 VanDerWaalsContact O-CB 3.29Å; W176-A179 WeakPolarHBondContact O-CB 2.99Å; W176-A179 PolarHBondContact O-N 2.94Å; W176-A179 VanDerWaalsContact O-N 3.09Å
180	E	98.9	Very high	98.1	Very high	14 Å²	14	35.1 Å²	35.1	7%	0.065	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	152.5	-178.4	-157.8	62.9	-96.7	0	0	112.3	R80 I152 M153 R155 Y188	R80-E180 WeakPolarHBondContact CD-OE1 2.99Å; R80-E180 IonicContact CZ-OE2 3.39Å; R80-E180 VanDerWaalsContact CZ-OE2 3.26Å; R80-E180 IonicContact NE-OE1 2.7Å; R80-E180 IonicContact NE-OE2 2.7Å; R80-E180 IonicContact NH1-OE1 3.24Å; R80-E180 IonicContact NH1-OE2 3.57Å; R80-E180 PolarHBondContact NH1-OE2 3.33Å; R80-E180 IonicContact NH2-OE2 2.75Å; I152-E180 CarbonylContact C-O 3.59Å; I152-E180 WeakPolarHBondContact CA-O 3.31Å; M153-E180 HydrophobicContact CE-CB 4.23Å; M153-E180 PolarHBondContact N-O 3Å; M153-E180 PolarHBondContact O-N 3.25Å; R155-E180 IonicContact CZ-OE2 3.51Å; R155-E180 IonicContact NH1-OE2 2.73Å; R155-E180 IonicContact NH2-OE2 3.61Å; R155-E180 PolarHBondContact NH2-OE2 2.96Å; E180-Y188 HydrophobicContact CB-CE1 4.48Å; E180-Y188 HydrophobicContact CG-CD1 3.83Å; E180-Y188 HydrophobicContact CG-CE1 3.59Å
181	F	98.9	Very high	98.2	Very high	2 Å²	2	40 Å²	40	1%	0.009	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	130.6	166.2	-65.3	-84.2	0	0	0	110.8	Y23 W24 Y26 K83 I84 N87 G151 I152 Y188	Y23-F181 HydrophobicContact CD1-CE1 4.16Å; Y23-F181 HydrophobicContact CE1-CD1 4.3Å; Y23-F181 AromaticContact CE1-CE1 3.89Å; Y23-F181 HydrophobicContact CE1-CE1 3.89Å; Y23-F181 WeakPolarHBondContact O-CZ 3.42Å; W24-F181 HydrophobicContact CB-CB 4.21Å; W24-F181 HydrophobicContact CB-CD1 3.7Å; W24-F181 HydrophobicContact CB-CD2 4.32Å; W24-F181 HydrophobicContact CB-CE1 4.11Å; W24-F181 HydrophobicContact CB-CG 3.81Å; Y26-F181 AromaticContact CD1-CD2 3.84Å; Y26-F181 HydrophobicContact CD1-CD2 3.84Å; Y26-F181 AromaticContact CD1-CE2 3.91Å; Y26-F181 HydrophobicContact CD1-CE2 3.91Å; Y26-F181 HydrophobicContact CE1-CD2 4.34Å; K83-F181 HydrophobicContact CG-CE2 4.41Å; K83-F181 HydrophobicContact CG-CZ 4.12Å; I84-F181 HydrophobicContact CD1-CD2 4.44Å; I84-F181 HydrophobicContact CD1-CE2 4.17Å; I84-F181 HydrophobicContact CG1-CD2 4.26Å; I84-F181 HydrophobicContact CG1-CE1 4.46Å; I84-F181 HydrophobicContact CG1-CE2 3.56Å; I84-F181 HydrophobicContact CG1-CZ 3.67Å; N87-F181 WeakPolarHBondContact ND2-CE1 3.29Å; N87-F181 WeakPolarHBondContact ND2-CZ 3.38Å; G151-F181 CarbonylContact O-C 3.58Å; G151-F181 WeakPolarHBondContact O-CA 3.35Å; I152-F181 HydrophobicContact CD1-CD1 4.38Å; I152-F181 HydrophobicContact CD1-CE1 3.84Å; I152-F181 HydrophobicContact CD1-CZ 4.38Å; I152-F181 HydrophobicContact CG1-CD1 3.77Å; I152-F181 HydrophobicContact CG1-CE1 3.74Å; I152-F181 HydrophobicContact CG1-CZ 4.46Å; F181-Y188 WeakPolarHBondContact O-CE1 3.3Å; F181-Y188 PolarHBondContact O-OH 3.49Å
182	Y	98.9	Very high	98.2	Very high	6 Å²	6	40.4 Å²	40.4	2%	0.024	20%	0.2	C	C	.	.			trans	-80.8	132.2	173.5	178.8	-99.6	0	0	0	111.4	R8 A9 T13 N16 G151 M153 P184 Y188 D210 Y211	R8-Y182 WeakPolarHBondContact CA-OH 3.19Å; A9-Y182 HydrophobicContact CB-CD1 4.38Å; A9-Y182 HydrophobicContact CB-CE1 3.71Å; A9-Y182 HydrophobicContact CB-CE2 4.35Å; A9-Y182 PolarHBondContact N-OH 2.87Å; T13-Y182 HydrophobicContact CG2-CE1 4.31Å; T13-Y182 WeakPolarHBondContact O-CE1 3.5Å; N16-Y182 PolarHBondContact ND2-N 2.89Å; N16-Y182 PolarHBondContact ND2-O 3.11Å; G151-Y182 PolarHBondContact O-N 3.01Å; M153-Y182 HydrophobicContact CE-CD2 4.15Å; M153-Y182 HydrophobicContact SD-CD2 4.17Å; Y182-P184 HydrophobicContact CE1-CB 4.36Å; Y182-Y188 WeakPolarHBondContact CA-OH 3.28Å; Y182-Y188 HydrophobicContact CD2-CE2 4.16Å; Y182-Y188 HydrophobicContact CE2-CE2 4.44Å; Y182-D210 HydrophobicContact CD2-CB 3.88Å; Y182-D210 HydrophobicContact CE2-CB 3.45Å; Y182-D210 VanDerWaalsContact CE2-CB 3.45Å; Y182-Y211 VanDerWaalsContact CB-CE1 3.49Å; Y182-Y211 VanDerWaalsContact CB-CZ 3.44Å; Y182-Y211 VanDerWaalsContact CB-OH 3.31Å; Y182-Y211 WeakPolarHBondContact CB-OH 3.42Å; Y182-Y211 HydrophobicContact CD1-CE1 4.47Å; Y182-Y211 AromaticContact CD1-CE2 3.78Å; Y182-Y211 HydrophobicContact CD1-CE2 3.78Å; Y182-Y211 AromaticContact CD1-CZ 3.57Å; Y182-Y211 WeakPolarHBondContact CD1-OH 3.36Å; Y182-Y211 HydrophobicContact CE1-CE2 4.31Å; Y182-Y211 HydrophobicContact CG-CE1 4.04Å; Y182-Y211 AromaticContact CG-CE2 3.97Å; Y182-Y211 HydrophobicContact CG-CE2 3.97Å; Y182-Y211 AromaticContact CG-CZ 3.58Å
183	H	98.8	Very high	98.2	Very high	34 Å²	34	38.4 Å²	38.4	16%	0.157	20%	0.195	C	C	.	.			trans	-136.8	131.1	172.9	-64.1	-80.6	0	0	0	107.5	W24 G185 Q186 Y188	W24-H183 AromaticContact CD2-CE1 3.51Å; W24-H183 AromaticContact CD2-NE2 3.91Å; W24-H183 AromaticContact CE2-CE1 4Å; W24-H183 AromaticContact CE3-CE1 3.74Å; W24-H183 AromaticContact CE3-NE2 3.79Å; W24-H183 AromaticContact CG-CE1 3.65Å; H183-G185 PolarHBondContact O-N 2.95Å; H183-Q186 HydrophobicContact CB-CB 4.08Å; H183-Q186 PolarHBondContact CD2-OE1 3.37Å; H183-Q186 VanDerWaalsContact O-CB 3.27Å; H183-Q186 WeakPolarHBondContact O-CB 3.14Å; H183-Q186 PolarHBondContact O-N 3.45Å; H183-Q186 VanDerWaalsContact O-N 3.14Å; H183-Y188 PolarHBondContact N-OH 3.42Å; H183-Y188 PolarHBondContact O-OH 3.45Å
184	P	98.6	Very high	98.1	Very high	28 Å²	28	40.3 Å²	40.3	18%	0.182	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	134.4	-175.5	27.1	-33.4	0	0	0	111.2	R8 T13 E14 Y182 Q186	R8-P184 HydrophobicContact CG-CB 4.33Å; R8-P184 VanDerWaalsContact NH1-CB 3.27Å; T13-P184 HydrophobicContact CG2-CB 4.18Å; E14-P184 WeakPolarHBondContact OE1-CG 3.42Å; E14-P184 WeakPolarHBondContact OE2-CG 3.38Å; Y182-P184 HydrophobicContact CE1-CB 4.36Å; P184-Q186 PolarHBondContact O-N 3.49Å
185	G	97.5	Very high	98.1	Very high	45 Å²	45	43 Å²	43	46%	0.464	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	78	0.5	-175.7	0	0	0	0	0	114.6	H183	H183-G185 PolarHBondContact O-N 2.95Å
186	Q	98.4	Very high	98.2	Very high	74 Å²	74	43.6 Å²	43.6	35%	0.346	22%	0.215	S	C	.	.			trans	-75	133.8	172.3	-179	171.2	-9.9	0	0	110.8	H183 P184 Y188	H183-Q186 HydrophobicContact CB-CB 4.08Å; H183-Q186 PolarHBondContact CD2-OE1 3.37Å; H183-Q186 VanDerWaalsContact O-CB 3.27Å; H183-Q186 WeakPolarHBondContact O-CB 3.14Å; H183-Q186 PolarHBondContact O-N 3.45Å; H183-Q186 VanDerWaalsContact O-N 3.14Å; P184-Q186 PolarHBondContact O-N 3.49Å; Q186-Y188 HydrophobicContact CB-CE1 4.4Å; Q186-Y188 HydrophobicContact CB-CE2 3.96Å; Q186-Y188 VanDerWaalsContact CD-CE1 3.43Å; Q186-Y188 HydrophobicContact CG-CD1 4.3Å; Q186-Y188 HydrophobicContact CG-CE1 3.82Å; Q186-Y188 HydrophobicContact CG-CE2 4.13Å; Q186-Y188 WeakPolarHBondContact O-CD2 3.44Å; Q186-Y188 WeakPolarHBondContact O-CE2 3.31Å; Q186-Y188 PolarHBondContact OE1-OH 2.93Å
187	E	98.6	Very high	98.2	Very high	119 Å²	119	44.4 Å²	44.4	56%	0.556	22%	0.219	S	C	*	.			trans	-85.4	129	168.5	-69.4	176.5	166.7	0	0	110.3	Q207 M208	E187-Q207 HydrophobicContact CB-CB 3.91Å; E187-Q207 HydrophobicContact CG-CB 4.13Å; E187-M208 HydrophobicContact CG-CG 3.86Å
188	Y	98.6	Very high	98.2	Very high	5 Å²	5	44.9 Å²	44.9	2%	0.02	22%	0.22	C	C	.	.			trans	-111.6	149.2	-178.2	-63.9	-77.2	0	0	0	112.1	M153 E180 F181 Y182 H183 Q186 V190 Q207 Y209	M153-Y188 HydrophobicContact CE-CD1 4.2Å; M153-Y188 HydrophobicContact CE-CD2 4.15Å; M153-Y188 HydrophobicContact CE-CE1 3.89Å; M153-Y188 HydrophobicContact CE-CE2 3.84Å; M153-Y188 HydrophobicContact CE-CG 4.33Å; E180-Y188 HydrophobicContact CB-CE1 4.48Å; E180-Y188 HydrophobicContact CG-CD1 3.83Å; E180-Y188 HydrophobicContact CG-CE1 3.59Å; F181-Y188 WeakPolarHBondContact O-CE1 3.3Å; F181-Y188 PolarHBondContact O-OH 3.49Å; Y182-Y188 WeakPolarHBondContact CA-OH 3.28Å; Y182-Y188 HydrophobicContact CD2-CE2 4.16Å; Y182-Y188 HydrophobicContact CE2-CE2 4.44Å; H183-Y188 PolarHBondContact N-OH 3.42Å; H183-Y188 PolarHBondContact O-OH 3.45Å; Q186-Y188 HydrophobicContact CB-CE1 4.4Å; Q186-Y188 HydrophobicContact CB-CE2 3.96Å; Q186-Y188 VanDerWaalsContact CD-CE1 3.43Å; Q186-Y188 HydrophobicContact CG-CD1 4.3Å; Q186-Y188 HydrophobicContact CG-CE1 3.82Å; Q186-Y188 HydrophobicContact CG-CE2 4.13Å; Q186-Y188 WeakPolarHBondContact O-CD2 3.44Å; Q186-Y188 WeakPolarHBondContact O-CE2 3.31Å; Q186-Y188 PolarHBondContact OE1-OH 2.93Å; Y188-V190 PolarHBondContact O-N 3.3Å; Y188-Q207 PolarHBondContact N-O 3.1Å; Y188-Y209 VanDerWaalsContact CB-CE1 3.5Å; Y188-Y209 VanDerWaalsContact CB-OH 3.31Å; Y188-Y209 WeakPolarHBondContact CB-OH 3.34Å; Y188-Y209 HydrophobicContact CD2-CE2 4.43Å; Y188-Y209 HydrophobicContact CG-CE2 4.29Å
189	N	98.1	Very high	98.3	Very high	98 Å²	98	43.4 Å²	43.4	52%	0.524	21%	0.212	S	C	.	.			trans	-63.7	126.4	175.1	-171.2	-24.9	0	0	0	111.2	R191 Y209	N189-R191 VanDerWaalsContact C-N 3.33Å; N189-R191 PolarHBondContact O-N 2.93Å; N189-R191 VanDerWaalsContact OD1-CB 3.26Å; N189-R191 WeakPolarHBondContact OD1-CB 3.5Å; N189-R191 PolarHBondContact OD1-N 3.26Å; N189-Y209 PolarHBondContact O-OH 2.62Å
190	V	98.3	Very high	98.3	Very high	17 Å²	17	43.4 Å²	43.4	10%	0.103	21%	0.212	C	C	.	.	S	Bend	trans	-80.6	-10.2	179.7	-62.4	0	0	0	0	114.4	Y188 V192 K198 L202 D205 Q207 Y209	Y188-V190 PolarHBondContact O-N 3.3Å; V190-V192 PolarHBondContact O-N 3.07Å; V190-K198 PolarHBondContact O-NZ 2.99Å; V190-L202 HydrophobicContact CB-CB 4.36Å; V190-L202 HydrophobicContact CB-CD2 4.12Å; V190-L202 HydrophobicContact CG1-CD2 4.23Å; V190-D205 WeakPolarHBondContact CG2-OD1 3.42Å; V190-Q207 HydrophobicContact CG1-CG 4.04Å; V190-Y209 HydrophobicContact CG1-CE1 4.21Å
191	R	97.4	Very high	98.3	Very high	223 Å²	223	42.8 Å²	42.8	84%	0.842	21%	0.209	S	C	*	.			trans	-81.6	46.2	179.3	-56.1	-177.9	-178.1	173.5	1.1	112.1	N189	N189-R191 VanDerWaalsContact C-N 3.33Å; N189-R191 PolarHBondContact O-N 2.93Å; N189-R191 VanDerWaalsContact OD1-CB 3.26Å; N189-R191 WeakPolarHBondContact OD1-CB 3.5Å; N189-R191 PolarHBondContact OD1-N 3.26Å
192	V	97.8	Very high	98.3	Very high	8 Å²	8	43.1 Å²	43.1	5%	0.048	21%	0.211	C	C	.	.			trans	-116	174.4	175.2	-62.3	0	0	0	0	110.4	R155 V190 K198 L202 L213	R155-V192 HydrophobicContact CB-CB 4.25Å; R155-V192 HydrophobicContact CB-CG2 4.18Å; V190-V192 PolarHBondContact O-N 3.07Å; V192-K198 PolarHBondContact O-NZ 3.19Å; V192-L202 HydrophobicContact CG2-CD1 3.81Å; V192-L202 HydrophobicContact CG2-CD2 4.04Å; V192-L213 HydrophobicContact CG2-CD2 4.31Å
193	A	96.8	Very high	98.3	Very high	14 Å²	14	43.5 Å²	43.5	12%	0.116	21%	0.214	C	C	.	.	S	Bend	trans	59.3	157.8	-174.2	0	0	0	0	0	115.8	R155 D156 K198 L202	R155-A193 VanDerWaalsContact O-CA 3.28Å; R155-A193 WeakPolarHBondContact O-CA 3.29Å; R155-A193 WeakPolarHBondContact O-CB 3.17Å; R155-A193 PolarHBondContact O-N 2.93Å; D156-A193 WeakPolarHBondContact OD1-CA 3.49Å; A193-K198 HydrophobicContact CB-CG 4.11Å; A193-L202 HydrophobicContact CB-CD1 4.14Å
194	S	96.4	Very high	98.3	Very high	40 Å²	40	42.2 Å²	42.2	28%	0.28	21%	0.208	S	C	.	.			trans	-80.2	142.9	170.8	-56	0	0	0	0	110.3	D156 K158 Y196 F197 K198	D156-S194 PolarHBondContact OD1-N 2.89Å; D156-S194 VanDerWaalsContact OD1-N 3.1Å; D156-S194 PolarHBondContact OD1-OG 2.84Å; D156-S194 VanDerWaalsContact OD1-OG 3.11Å; K158-S194 WeakPolarHBondContact CD-OG 3.29Å; K158-S194 PolarHBondContact NZ-OG 3.41Å; S194-Y196 VanDerWaalsContact C-N 3.32Å; S194-Y196 PolarHBondContact O-N 2.86Å; S194-F197 PolarHBondContact O-N 3Å; S194-K198 PolarHBondContact O-N 3.42Å
195	R	98.3	Very high	98.2	Very high	90 Å²	90	45.5 Å²	45.5	34%	0.34	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-42.9	-51.6	-167.6	-174.7	-169.5	-61.1	143.8	-2.9	114.4	F197 K198 G235 H236 Q241	R195-F197 PolarHBondContact O-N 2.7Å; R195-F197 VanDerWaalsContact O-N 3.15Å; R195-K198 PolarHBondContact O-N 3.43Å; R195-G235 WeakPolarHBondContact CD-O 3.41Å; R195-G235 PolarHBondContact NH1-O 3.47Å; R195-H236 PolarHBondContact NH1-O 2.86Å; R195-H236 PolarHBondContact NH2-O 2.76Å; R195-Q241 HydrophobicContact CG-CB 4.22Å; R195-Q241 HydrophobicContact CG-CG 4.24Å
196	Y	98.6	Very high	98.3	Very high	65 Å²	65	43.4 Å²	43.4	26%	0.255	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-68.3	-12.7	-173.8	-51.4	-40.5	0	0	0	114.7	S194 P231 F233 H234 G235	S194-Y196 VanDerWaalsContact C-N 3.32Å; S194-Y196 PolarHBondContact O-N 2.86Å; Y196-P231 HydrophobicContact CD1-CB 4.23Å; Y196-P231 HydrophobicContact CD1-CG 3.94Å; Y196-P231 HydrophobicContact CD2-CB 3.58Å; Y196-P231 HydrophobicContact CD2-CG 3.54Å; Y196-P231 HydrophobicContact CE1-CG 4.13Å; Y196-P231 HydrophobicContact CE2-CB 4.26Å; Y196-P231 HydrophobicContact CE2-CG 3.72Å; Y196-P231 HydrophobicContact CG-CB 3.56Å; Y196-P231 HydrophobicContact CG-CG 3.66Å; Y196-F233 WeakPolarHBondContact CD1-O 3.5Å; Y196-H234 AromaticContact CE1-CD2 3.59Å; Y196-H234 AromaticContact CZ-CD2 3.62Å; Y196-H234 AromaticContact CZ-NE2 3.85Å; Y196-H234 PolarHBondContact OH-CD2 3.01Å; Y196-H234 PolarHBondContact OH-NE2 2.88Å; Y196-G235 WeakPolarHBondContact CE1-O 3.35Å
197	F	98.7	Very high	98.3	Very high	17 Å²	17	43 Å²	43	8%	0.075	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-115	3.7	-177.2	-57	-83.5	0	0	0	112.5	K158 P159 S194 R195 G199 S217 C220 M221	K158-F197 HydrophobicContact CB-CD1 4.31Å; K158-F197 HydrophobicContact CB-CD2 3.69Å; K158-F197 HydrophobicContact CB-CE1 4.37Å; K158-F197 HydrophobicContact CB-CE2 3.74Å; K158-F197 HydrophobicContact CB-CG 4Å; K158-F197 HydrophobicContact CB-CZ 4.11Å; P159-F197 HydrophobicContact CG-CE1 4.39Å; P159-F197 HydrophobicContact CG-CZ 4Å; S194-F197 PolarHBondContact O-N 3Å; R195-F197 PolarHBondContact O-N 2.7Å; R195-F197 VanDerWaalsContact O-N 3.15Å; F197-G199 PolarHBondContact O-N 3.28Å; F197-S217 PolarHBondContact O-OG 3.22Å; F197-C220 HydrophobicContact CD1-CB 3.75Å; F197-C220 HydrophobicContact CE1-CB 4.17Å; F197-M221 HydrophobicContact CD1-CG 4.11Å; F197-M221 HydrophobicContact CE1-CG 3.62Å
198	K	98.9	Very high	98.3	Very high	13 Å²	13	38.4 Å²	38.4	6%	0.057	18%	0.179	C	C	.	.			trans	-66.8	126.5	176.1	-73.6	178.7	170.2	-73.3	0	110.2	V190 V192 A193 S194 R195 L202 L203 W216	V190-K198 PolarHBondContact O-NZ 2.99Å; V192-K198 PolarHBondContact O-NZ 3.19Å; A193-K198 HydrophobicContact CB-CG 4.11Å; S194-K198 PolarHBondContact O-N 3.42Å; R195-K198 PolarHBondContact O-N 3.43Å; K198-L202 HydrophobicContact CB-CB 4.36Å; K198-L202 HydrophobicContact CB-CD1 4.16Å; K198-L202 HydrophobicContact CG-CD1 4.04Å; K198-L203 HydrophobicContact CB-CD2 3.88Å; K198-L203 HydrophobicContact CB-CG 4.17Å; K198-L203 HydrophobicContact CD-CD2 3.7Å; K198-L203 HydrophobicContact CG-CD2 4.45Å; K198-W216 PolarHBondContact O-NE1 3.05Å
199	G	98.8	Very high	98.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.178	C	C	.	.			trans	-63.6	151.7	167.6	0	0	0	0	0	111.9	F197 E201 L202 L203	F197-G199 PolarHBondContact O-N 3.28Å; G199-E201 VanDerWaalsContact C-OE2 3.24Å; G199-E201 WeakPolarHBondContact CA-OE2 3.43Å; G199-E201 PolarHBondContact O-N 3.44Å; G199-L202 WeakPolarHBondContact O-CB 3.14Å; G199-L202 PolarHBondContact O-N 3.22Å; G199-L203 PolarHBondContact O-N 3.24Å
200	P	98.9	Very high	98.4	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-49.4	-39.2	175.3	-30.3	37.4	0	0	0	113.4	L202 L203 V204 W216 L242 Y307	P200-L202 PolarHBondContact O-N 3.3Å; P200-L203 CarbonylContact O-C 3.54Å; P200-L203 WeakPolarHBondContact O-CA 3.26Å; P200-L203 WeakPolarHBondContact O-CB 3.35Å; P200-L203 PolarHBondContact O-N 3.48Å; P200-V204 WeakPolarHBondContact O-CG2 3.46Å; P200-V204 PolarHBondContact O-N 3.09Å; P200-W216 HydrophobicContact CG-CD2 4.49Å; P200-W216 HydrophobicContact CG-CE3 4.2Å; P200-W216 HydrophobicContact CG-CH2 3.75Å; P200-W216 HydrophobicContact CG-CZ2 4.07Å; P200-W216 HydrophobicContact CG-CZ3 3.82Å; P200-L242 HydrophobicContact CB-CD1 4.48Å; P200-Y307 HydrophobicContact CB-CD1 3.81Å; P200-Y307 HydrophobicContact CB-CE1 4.43Å; P200-Y307 HydrophobicContact CG-CD1 3.64Å; P200-Y307 HydrophobicContact CG-CE1 4.15Å
201	E	98.9	Very high	98.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-52.7	-36.4	175.4	60.8	-88.3	-144.9	0	0	113	G199 D205 Y206 Y209 L213 R312	G199-E201 VanDerWaalsContact C-OE2 3.24Å; G199-E201 WeakPolarHBondContact CA-OE2 3.43Å; G199-E201 PolarHBondContact O-N 3.44Å; E201-D205 PolarHBondContact O-N 2.88Å; E201-Y206 HydrophobicContact CB-CD1 4.33Å; E201-Y206 PolarHBondContact O-N 2.93Å; E201-Y209 HydrophobicContact CG-CG 4.4Å; E201-L213 HydrophobicContact CG-CD1 4.36Å; E201-L213 WeakPolarHBondContact OE1-CA 3.11Å; E201-L213 WeakPolarHBondContact OE1-CD1 3.48Å; E201-R312 IonicContact OE1-CZ 3.59Å; E201-R312 IonicContact OE1-NH1 3.89Å; E201-R312 PolarHBondContact OE1-NH1 3.38Å; E201-R312 IonicContact OE1-NH2 3.57Å; E201-R312 IonicContact OE2-CZ 3.8Å; E201-R312 IonicContact OE2-NH1 2.69Å; E201-R312 PolarHBondContact OE2-NH1 2.85Å; E201-R312 IonicContact OE2-NH2 3.89Å; E201-R312 PolarHBondContact OE2-NH2 3.49Å
202	L	98.8	Very high	98.5	Very high	10 Å²	10	23.1 Å²	23.1	5%	0.052	12%	0.115	C	C	.	.	H	α-helix	trans	-77.5	-24.4	177.1	-52.6	-174.1	0	0	0	112.9	V190 V192 A193 K198 G199 P200 Y209 L213	V190-L202 HydrophobicContact CB-CB 4.36Å; V190-L202 HydrophobicContact CB-CD2 4.12Å; V190-L202 HydrophobicContact CG1-CD2 4.23Å; V192-L202 HydrophobicContact CG2-CD1 3.81Å; V192-L202 HydrophobicContact CG2-CD2 4.04Å; A193-L202 HydrophobicContact CB-CD1 4.14Å; K198-L202 HydrophobicContact CB-CB 4.36Å; K198-L202 HydrophobicContact CB-CD1 4.16Å; K198-L202 HydrophobicContact CG-CD1 4.04Å; G199-L202 WeakPolarHBondContact O-CB 3.14Å; G199-L202 PolarHBondContact O-N 3.22Å; P200-L202 PolarHBondContact O-N 3.3Å; L202-Y209 HydrophobicContact CD2-CD1 3.9Å; L202-Y209 HydrophobicContact CD2-CE1 3.58Å; L202-L213 HydrophobicContact CD1-CD1 3.72Å; L202-L213 HydrophobicContact CD1-CD2 4.12Å; L202-L213 HydrophobicContact CD2-CD1 4.26Å; L202-L213 HydrophobicContact CD2-CD2 4.11Å; L202-L213 HydrophobicContact CG-CD1 3.81Å; L202-L213 HydrophobicContact CG-CD2 4.43Å
203	L	98.7	Very high	98.5	Very high	14 Å²	14	22.8 Å²	22.8	7%	0.073	11%	0.112	C	C	.	.	H	α-helix	trans	-89	-25.2	-175.9	-58.2	176.5	0	0	0	112.1	K198 G199 P200 N238 Q241 L242 I245	K198-L203 HydrophobicContact CB-CD2 3.88Å; K198-L203 HydrophobicContact CB-CG 4.17Å; K198-L203 HydrophobicContact CD-CD2 3.7Å; K198-L203 HydrophobicContact CG-CD2 4.45Å; G199-L203 PolarHBondContact O-N 3.24Å; P200-L203 CarbonylContact O-C 3.54Å; P200-L203 WeakPolarHBondContact O-CA 3.26Å; P200-L203 WeakPolarHBondContact O-CB 3.35Å; P200-L203 PolarHBondContact O-N 3.48Å; L203-N238 HydrophobicContact CD2-CB 4.11Å; L203-Q241 HydrophobicContact CD1-CB 4.13Å; L203-Q241 HydrophobicContact CD1-CG 3.78Å; L203-Q241 HydrophobicContact CD2-CB 4.27Å; L203-Q241 HydrophobicContact CD2-CG 4.29Å; L203-L242 HydrophobicContact CB-CB 4.25Å; L203-L242 HydrophobicContact CB-CD1 4.36Å; L203-L242 HydrophobicContact CD1-CB 4.1Å; L203-L242 HydrophobicContact CD1-CD1 4.27Å; L203-I245 HydrophobicContact CD1-CD1 3.64Å
204	V	98.5	Very high	98.6	Very high	6 Å²	6	22.1 Å²	22.1	4%	0.036	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	12.4	174.2	-53.5	0	0	0	0	113.2	P200 Y206 L242 Y257 I263 L265	P200-V204 WeakPolarHBondContact O-CG2 3.46Å; P200-V204 PolarHBondContact O-N 3.09Å; V204-Y206 VanDerWaalsContact C-N 3.34Å; V204-Y206 PolarHBondContact O-N 2.9Å; V204-L242 HydrophobicContact CG1-CD1 4.44Å; V204-L242 HydrophobicContact CG1-CD2 3.58Å; V204-Y257 HydrophobicContact CG2-CE1 3.98Å; V204-I263 HydrophobicContact CB-CG2 4.1Å; V204-I263 HydrophobicContact CG2-CD1 3.87Å; V204-I263 HydrophobicContact CG2-CG2 3.97Å; V204-I263 WeakPolarHBondContact O-CG2 3.4Å; V204-L265 HydrophobicContact CB-CD1 4.06Å; V204-L265 HydrophobicContact CG1-CD1 3.72Å
205	D	98.3	Very high	98.7	Very high	97 Å²	97	20.2 Å²	20.2	52%	0.519	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	35.6	178.5	-157	19.8	0	0	0	115.4	V190 E201 Q207	V190-D205 WeakPolarHBondContact CG2-OD1 3.42Å; E201-D205 PolarHBondContact O-N 2.88Å; D205-Q207 PolarHBondContact O-N 3.29Å; D205-Q207 PolarHBondContact OD1-NE2 3.35Å
206	Y	98.6	Very high	98.8	Very high	2 Å²	2	16 Å²	16	1%	0.008	8%	0.077	C	C	.	.			trans	-83.2	113.4	171	-173.9	-103.8	0	0	0	110.6	P4 L5 S7 E201 V204 M208 Y209 Y261 I263 H309	P4-Y206 HydrophobicContact CB-CD2 4.29Å; P4-Y206 HydrophobicContact CB-CE2 4.12Å; L5-Y206 WeakPolarHBondContact O-CE2 3.12Å; L5-Y206 PolarHBondContact O-OH 2.93Å; S7-Y206 WeakPolarHBondContact CB-OH 3.15Å; S7-Y206 PolarHBondContact N-OH 3.11Å; E201-Y206 HydrophobicContact CB-CD1 4.33Å; E201-Y206 PolarHBondContact O-N 2.93Å; V204-Y206 VanDerWaalsContact C-N 3.34Å; V204-Y206 PolarHBondContact O-N 2.9Å; Y206-M208 HydrophobicContact CE1-CB 4.08Å; Y206-M208 WeakPolarHBondContact CE1-O 3.31Å; Y206-Y209 WeakPolarHBondContact O-CD1 3.25Å; Y206-Y261 HydrophobicContact CE2-CD1 4.21Å; Y206-Y261 HydrophobicContact CE2-CG 4.31Å; Y206-Y261 AromaticContact CZ-CD1 3.91Å; Y206-I263 HydrophobicContact CD2-CD1 3.94Å; Y206-I263 HydrophobicContact CD2-CG1 3.84Å; Y206-I263 HydrophobicContact CG-CD1 4.13Å; Y206-I263 HydrophobicContact CG-CG1 4.48Å; Y206-H309 AromaticContact CE1-CE1 3.58Å; Y206-H309 AromaticContact CE1-NE2 3.93Å
207	Q	98.7	Very high	98.8	Very high	66 Å²	66	12.9 Å²	12.9	31%	0.308	7%	0.065	S	C	.	.			trans	-93.1	-20.7	-166.6	-60.2	-171.8	-15.9	0	0	114.8	E187 Y188 V190 D205 Y209	E187-Q207 HydrophobicContact CB-CB 3.91Å; E187-Q207 HydrophobicContact CG-CB 4.13Å; Y188-Q207 PolarHBondContact N-O 3.1Å; V190-Q207 HydrophobicContact CG1-CG 4.04Å; D205-Q207 PolarHBondContact O-N 3.29Å; D205-Q207 PolarHBondContact OD1-NE2 3.35Å; Q207-Y209 PolarHBondContact O-N 2.86Å
208	M	98.6	Very high	98.8	Very high	21 Å²	21	12 Å²	12	10%	0.103	6%	0.062	C	C	.	.			trans	-86.3	49.2	179	-70.4	-178.4	-82.3	0	0	112	P4 P6 S7 E187 Y206	P4-M208 HydrophobicContact CG-CE 4.44Å; P6-M208 HydrophobicContact CB-CE 4.25Å; P6-M208 HydrophobicContact CB-SD 3.94Å; S7-M208 WeakPolarHBondContact CB-O 3.21Å; E187-M208 HydrophobicContact CG-CG 3.86Å; Y206-M208 HydrophobicContact CE1-CB 4.08Å; Y206-M208 WeakPolarHBondContact CE1-O 3.31Å
209	Y	98.8	Very high	98.8	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.059	C	C	.	.			trans	-86.6	168.8	177.6	64.9	-102.2	0	0	0	112.3	M153 R155 Y188 N189 V190 E201 L202 Y206 Q207 L213	M153-Y209 HydrophobicContact CE-CE2 4.47Å; M153-Y209 HydrophobicContact SD-CD2 4.28Å; M153-Y209 HydrophobicContact SD-CE2 4.36Å; R155-Y209 PolarHBondContact NH1-OH 2.63Å; Y188-Y209 VanDerWaalsContact CB-CE1 3.5Å; Y188-Y209 VanDerWaalsContact CB-OH 3.31Å; Y188-Y209 WeakPolarHBondContact CB-OH 3.34Å; Y188-Y209 HydrophobicContact CD2-CE2 4.43Å; Y188-Y209 HydrophobicContact CG-CE2 4.29Å; N189-Y209 PolarHBondContact O-OH 2.62Å; V190-Y209 HydrophobicContact CG1-CE1 4.21Å; E201-Y209 HydrophobicContact CG-CG 4.4Å; L202-Y209 HydrophobicContact CD2-CD1 3.9Å; L202-Y209 HydrophobicContact CD2-CE1 3.58Å; Y206-Y209 WeakPolarHBondContact O-CD1 3.25Å; Q207-Y209 PolarHBondContact O-N 2.86Å; Y209-L213 HydrophobicContact CD2-CB 4.36Å; Y209-L213 HydrophobicContact CD2-CD2 3.91Å; Y209-L213 HydrophobicContact CE2-CD2 3.68Å
210	D	98.9	Very high	98.8	Very high	6 Å²	6	11.5 Å²	11.5	3%	0.032	6%	0.06	C	C	.	.			trans	-141.4	-164.3	-175.4	63.3	56.8	0	0	0	112.9	A9 M153 Y182 S212 L213 H309	A9-D210 WeakPolarHBondContact CA-OD2 3.38Å; A9-D210 HydrophobicContact CB-CB 3.78Å; M153-D210 WeakPolarHBondContact SD-CA 3.49Å; Y182-D210 HydrophobicContact CD2-CB 3.88Å; Y182-D210 HydrophobicContact CE2-CB 3.45Å; Y182-D210 VanDerWaalsContact CE2-CB 3.45Å; D210-S212 PolarHBondContact O-N 2.75Å; D210-S212 VanDerWaalsContact OD1-CB 3.24Å; D210-S212 WeakPolarHBondContact OD1-CB 3.43Å; D210-S212 PolarHBondContact OD1-N 3.42Å; D210-S212 PolarHBondContact OD1-OG 2.83Å; D210-L213 WeakPolarHBondContact O-CB 3.41Å; D210-L213 PolarHBondContact O-N 3.07Å; D210-H309 IonicContact OD2-CD2 3.3Å
211	Y	98.9	Very high	98.8	Very high	5 Å²	5	11.7 Å²	11.7	2%	0.02	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.4	-29.6	-180	-44.6	-70.7	0	0	0	114.5	A9 V11 Y12 H148 M153 Y182 L213 D214	A9-Y211 HydrophobicContact CB-CD2 3.6Å; A9-Y211 HydrophobicContact CB-CE2 3.5Å; A9-Y211 VanDerWaalsContact CB-CE2 3.5Å; V11-Y211 VanDerWaalsContact O-CE2 3.28Å; V11-Y211 WeakPolarHBondContact O-CE2 3.48Å; Y12-Y211 PolarHBondContact O-OH 2.86Å; H148-Y211 HydrophobicContact CB-CD1 3.95Å; H148-Y211 HydrophobicContact CB-CE1 4.49Å; H148-Y211 HydrophobicContact CB-CG 4.13Å; H148-Y211 AromaticContact CD2-CD1 3.78Å; H148-Y211 PolarHBondContact CE1-O 2.73Å; H148-Y211 AromaticContact CG-CD1 3.91Å; M153-Y211 HydrophobicContact CG-CD1 3.53Å; M153-Y211 HydrophobicContact CG-CE1 4.05Å; M153-Y211 HydrophobicContact CG-CG 4.28Å; Y182-Y211 VanDerWaalsContact CB-CE1 3.49Å; Y182-Y211 VanDerWaalsContact CB-CZ 3.44Å; Y182-Y211 VanDerWaalsContact CB-OH 3.31Å; Y182-Y211 WeakPolarHBondContact CB-OH 3.42Å; Y182-Y211 HydrophobicContact CD1-CE1 4.47Å; Y182-Y211 AromaticContact CD1-CE2 3.78Å; Y182-Y211 HydrophobicContact CD1-CE2 3.78Å; Y182-Y211 AromaticContact CD1-CZ 3.57Å; Y182-Y211 WeakPolarHBondContact CD1-OH 3.36Å; Y182-Y211 HydrophobicContact CE1-CE2 4.31Å; Y182-Y211 HydrophobicContact CG-CE1 4.04Å; Y182-Y211 AromaticContact CG-CE2 3.97Å; Y182-Y211 HydrophobicContact CG-CE2 3.97Å; Y182-Y211 AromaticContact CG-CZ 3.58Å; Y211-L213 PolarHBondContact O-N 3.01Å; Y211-L213 VanDerWaalsContact O-N 3.09Å; Y211-D214 WeakPolarHBondContact O-CB 3.38Å; Y211-D214 PolarHBondContact O-N 3.39Å
212	S	98.9	Very high	98.8	Very high	12 Å²	12	11.7 Å²	11.7	8%	0.084	6%	0.06	C	C	.	.	H	α-helix	trans	-60.6	-15.5	177.8	57.2	0	0	0	0	114.1	D210 D214 M215 W216 H309 R312	D210-S212 PolarHBondContact O-N 2.75Å; D210-S212 VanDerWaalsContact OD1-CB 3.24Å; D210-S212 WeakPolarHBondContact OD1-CB 3.43Å; D210-S212 PolarHBondContact OD1-N 3.42Å; D210-S212 PolarHBondContact OD1-OG 2.83Å; S212-D214 VanDerWaalsContact C-N 3.34Å; S212-M215 WeakPolarHBondContact O-CB 3.5Å; S212-M215 PolarHBondContact O-N 2.77Å; S212-W216 PolarHBondContact O-N 3Å; S212-H309 VanDerWaalsContact CB-O 3.24Å; S212-H309 WeakPolarHBondContact CB-O 3.49Å; S212-H309 WeakPolarHBondContact OG-CB 3.42Å; S212-H309 PolarHBondContact OG-O 3.1Å; S212-R312 WeakPolarHBondContact O-CD 3.17Å; S212-R312 PolarHBondContact O-NH1 3.15Å
213	L	98.9	Very high	98.8	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-59.9	-44	168.9	174.5	62.8	0	0	0	111.6	R155 V192 E201 L202 Y209 D210 Y211 M215 W216 S217	R155-L213 HydrophobicContact CB-CD2 4.28Å; R155-L213 HydrophobicContact CG-CD2 4.16Å; V192-L213 HydrophobicContact CG2-CD2 4.31Å; E201-L213 HydrophobicContact CG-CD1 4.36Å; E201-L213 WeakPolarHBondContact OE1-CA 3.11Å; E201-L213 WeakPolarHBondContact OE1-CD1 3.48Å; L202-L213 HydrophobicContact CD1-CD1 3.72Å; L202-L213 HydrophobicContact CD1-CD2 4.12Å; L202-L213 HydrophobicContact CD2-CD1 4.26Å; L202-L213 HydrophobicContact CD2-CD2 4.11Å; L202-L213 HydrophobicContact CG-CD1 3.81Å; L202-L213 HydrophobicContact CG-CD2 4.43Å; Y209-L213 HydrophobicContact CD2-CB 4.36Å; Y209-L213 HydrophobicContact CD2-CD2 3.91Å; Y209-L213 HydrophobicContact CE2-CD2 3.68Å; D210-L213 WeakPolarHBondContact O-CB 3.41Å; D210-L213 PolarHBondContact O-N 3.07Å; Y211-L213 PolarHBondContact O-N 3.01Å; Y211-L213 VanDerWaalsContact O-N 3.09Å; L213-M215 PolarHBondContact O-N 3.22Å; L213-W216 WeakPolarHBondContact O-CB 3.28Å; L213-W216 PolarHBondContact O-N 2.91Å; L213-S217 PolarHBondContact O-N 3.2Å; L213-S217 PolarHBondContact O-OG 3.45Å
214	D	98.9	Very high	98.7	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-65.1	-32.4	179.3	-67.1	-32.4	0	0	0	110.9	L144 H148 H154 R155 V157 Y211 S212 S217 L218	L144-D214 HydrophobicContact CD1-CB 4.46Å; L144-D214 HydrophobicContact CD2-CB 4.13Å; H148-D214 IonicContact CD2-OD2 3.47Å; H148-D214 IonicContact CE1-OD2 3.28Å; H148-D214 IonicContact NE2-OD2 3.32Å; H148-D214 PolarHBondContact NE2-OD2 3.1Å; H154-D214 PolarHBondContact N-OD2 2.81Å; R155-D214 WeakPolarHBondContact CA-OD1 3.47Å; R155-D214 PolarHBondContact N-OD1 3.24Å; V157-D214 HydrophobicContact CG2-CB 3.97Å; Y211-D214 WeakPolarHBondContact O-CB 3.38Å; Y211-D214 PolarHBondContact O-N 3.39Å; S212-D214 VanDerWaalsContact C-N 3.34Å; D214-S217 PolarHBondContact O-N 2.7Å; D214-L218 WeakPolarHBondContact O-CB 3.46Å; D214-L218 PolarHBondContact O-N 3.11Å
215	M	98.9	Very high	98.6	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.005	6%	0.056	C	C	.	.	H	α-helix	trans	-68.3	-34.9	178	-55.8	-52.9	-60.6	0	0	112.2	L141 L144 S212 L213 L218 G219 L304 V313 A315 A318	L141-M215 HydrophobicContact CD2-CE 3.75Å; L144-M215 HydrophobicContact CD1-SD 4.33Å; S212-M215 WeakPolarHBondContact O-CB 3.5Å; S212-M215 PolarHBondContact O-N 2.77Å; L213-M215 PolarHBondContact O-N 3.22Å; M215-L218 HydrophobicContact CE-CD2 4.01Å; M215-L218 PolarHBondContact O-N 2.98Å; M215-G219 PolarHBondContact O-N 2.63Å; M215-L304 HydrophobicContact CB-CD2 4.19Å; M215-L304 HydrophobicContact CE-CD2 3.64Å; M215-V313 WeakPolarHBondContact CG-O 3.04Å; M215-A315 HydrophobicContact CE-CB 4.38Å; M215-A315 HydrophobicContact SD-CB 3.94Å; M215-A318 HydrophobicContact CE-CB 3.97Å
216	W	98.9	Very high	98.6	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-63.9	-47.5	170.5	173.8	-85.8	0	0	0	111.8	K198 P200 S212 L213 L218 G219 C220 F233 I245 L249 L305 R306	K198-W216 PolarHBondContact O-NE1 3.05Å; P200-W216 HydrophobicContact CG-CD2 4.49Å; P200-W216 HydrophobicContact CG-CE3 4.2Å; P200-W216 HydrophobicContact CG-CH2 3.75Å; P200-W216 HydrophobicContact CG-CZ2 4.07Å; P200-W216 HydrophobicContact CG-CZ3 3.82Å; S212-W216 PolarHBondContact O-N 3Å; L213-W216 WeakPolarHBondContact O-CB 3.28Å; L213-W216 PolarHBondContact O-N 2.91Å; W216-L218 VanDerWaalsContact C-N 3.27Å; W216-L218 PolarHBondContact O-N 3.18Å; W216-G219 PolarHBondContact O-N 2.86Å; W216-G219 VanDerWaalsContact O-N 3.11Å; W216-C220 PolarHBondContact NE1-SG 3.31Å; W216-C220 PolarHBondContact O-N 2.7Å; W216-C220 PolarHBondContact O-SG 3.42Å; W216-C220 VanDerWaalsContact O-SG 3.37Å; W216-F233 HydrophobicContact CH2-CE2 4.41Å; W216-F233 HydrophobicContact CZ2-CD2 4.39Å; W216-F233 HydrophobicContact CZ2-CE2 4Å; W216-I245 HydrophobicContact CH2-CD1 4.26Å; W216-I245 HydrophobicContact CH2-CG1 4.37Å; W216-I245 HydrophobicContact CH2-CG2 3.6Å; W216-I245 HydrophobicContact CZ2-CD1 3.58Å; W216-I245 HydrophobicContact CZ2-CG1 3.91Å; W216-I245 HydrophobicContact CZ2-CG2 4.01Å; W216-L249 HydrophobicContact CH2-CD1 3.67Å; W216-L249 HydrophobicContact CZ3-CD1 3.85Å; W216-L305 HydrophobicContact CD2-CD2 3.92Å; W216-L305 HydrophobicContact CE3-CD2 3.85Å; W216-L305 HydrophobicContact CH2-CD2 4.16Å; W216-L305 HydrophobicContact CZ2-CD2 4.23Å; W216-L305 HydrophobicContact CZ3-CB 4.23Å; W216-L305 HydrophobicContact CZ3-CD2 3.99Å; W216-R306 WeakPolarHBondContact CZ3-O 3.49Å
217	S	98.9	Very high	98.6	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-60.1	-39.6	178.3	-59.7	0	0	0	0	111.6	V157 F197 L213 D214 C220 M221	V157-S217 WeakPolarHBondContact O-CB 3.34Å; F197-S217 PolarHBondContact O-OG 3.22Å; L213-S217 PolarHBondContact O-N 3.2Å; L213-S217 PolarHBondContact O-OG 3.45Å; D214-S217 PolarHBondContact O-N 2.7Å; S217-C220 WeakPolarHBondContact O-CB 3.37Å; S217-C220 PolarHBondContact O-N 3.11Å; S217-M221 PolarHBondContact O-N 2.94Å
218	L	98.9	Very high	98.5	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-61.9	-43.6	172.5	-174.9	68.3	0	0	0	112	M137 I140 L141 L144 D214 M215 W216 C220 M221 L222	M137-L218 HydrophobicContact CE-CD1 3.36Å; M137-L218 HydrophobicContact CE-CD2 4.03Å; M137-L218 HydrophobicContact CE-CG 3.45Å; M137-L218 VanDerWaalsContact CE-CG 3.45Å; M137-L218 HydrophobicContact SD-CD1 3.77Å; M137-L218 HydrophobicContact SD-CG 4.49Å; I140-L218 HydrophobicContact CB-CD1 4.26Å; I140-L218 HydrophobicContact CD1-CD1 4.42Å; I140-L218 HydrophobicContact CG2-CD1 3.68Å; L141-L218 HydrophobicContact CD2-CD2 3.37Å; L141-L218 HydrophobicContact CG-CD2 3.88Å; L144-L218 HydrophobicContact CD1-CB 4.48Å; L144-L218 HydrophobicContact CD1-CD2 4.15Å; D214-L218 WeakPolarHBondContact O-CB 3.46Å; D214-L218 PolarHBondContact O-N 3.11Å; M215-L218 HydrophobicContact CE-CD2 4.01Å; M215-L218 PolarHBondContact O-N 2.98Å; W216-L218 VanDerWaalsContact C-N 3.27Å; W216-L218 PolarHBondContact O-N 3.18Å; L218-C220 VanDerWaalsContact C-N 3.31Å; L218-C220 PolarHBondContact O-N 2.96Å; L218-M221 WeakPolarHBondContact O-CB 3.45Å; L218-M221 PolarHBondContact O-N 3.32Å; L218-M221 VanDerWaalsContact O-N 3.15Å; L218-L222 PolarHBondContact O-N 2.84Å
219	G	98.9	Very high	98.4	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-60.1	-39.4	173.5	0	0	0	0	0	112.7	M215 W216 M221 L222 A223 L301	M215-G219 PolarHBondContact O-N 2.63Å; W216-G219 PolarHBondContact O-N 2.86Å; W216-G219 VanDerWaalsContact O-N 3.11Å; G219-M221 VanDerWaalsContact C-N 3.33Å; G219-M221 PolarHBondContact O-N 2.8Å; G219-L222 PolarHBondContact O-N 3.42Å; G219-A223 WeakPolarHBondContact O-CB 3.39Å; G219-A223 PolarHBondContact O-N 3.29Å; G219-L301 VanDerWaalsContact O-CD1 3.27Å; G219-L301 WeakPolarHBondContact O-CD1 3.49Å
220	C	98.8	Very high	98.1	Very high	2 Å²	2	13.3 Å²	13.3	1%	0.014	6%	0.06	C	C	.	.	H	α-helix	trans	-63.9	-37.5	174.5	-66.1	0	0	0	0	112.4	F197 W216 S217 L218 S224	F197-C220 HydrophobicContact CD1-CB 3.75Å; F197-C220 HydrophobicContact CE1-CB 4.17Å; W216-C220 PolarHBondContact NE1-SG 3.31Å; W216-C220 PolarHBondContact O-N 2.7Å; W216-C220 PolarHBondContact O-SG 3.42Å; W216-C220 VanDerWaalsContact O-SG 3.37Å; S217-C220 WeakPolarHBondContact O-CB 3.37Å; S217-C220 PolarHBondContact O-N 3.11Å; L218-C220 VanDerWaalsContact C-N 3.31Å; L218-C220 PolarHBondContact O-N 2.96Å; C220-S224 WeakPolarHBondContact O-CB 3.42Å; C220-S224 PolarHBondContact O-N 2.91Å; C220-S224 VanDerWaalsContact O-N 3.11Å; C220-S224 PolarHBondContact O-OG 3.01Å
221	M	98.2	Very high	98	Very high	3 Å²	3	13.8 Å²	13.8	2%	0.015	6%	0.064	C	C	.	.	H	α-helix	trans	-65.2	-49.1	173	-70.5	-179.3	57.1	0	0	111.3	I140 V157 K158 P159 V162 F197 S217 L218 G219 A223 S224 M225	I140-M221 HydrophobicContact CD1-CE 4.01Å; V157-M221 HydrophobicContact CG1-SD 3.91Å; K158-M221 VanDerWaalsContact C-SD 3.58Å; P159-M221 HydrophobicContact CB-CE 4.42Å; P159-M221 HydrophobicContact CG-CE 4.13Å; P159-M221 HydrophobicContact CG-CG 4.09Å; P159-M221 HydrophobicContact CG-SD 4.43Å; V162-M221 HydrophobicContact CG2-CE 4.06Å; F197-M221 HydrophobicContact CD1-CG 4.11Å; F197-M221 HydrophobicContact CE1-CG 3.62Å; S217-M221 PolarHBondContact O-N 2.94Å; L218-M221 WeakPolarHBondContact O-CB 3.45Å; L218-M221 PolarHBondContact O-N 3.32Å; L218-M221 VanDerWaalsContact O-N 3.15Å; G219-M221 VanDerWaalsContact C-N 3.33Å; G219-M221 PolarHBondContact O-N 2.8Å; M221-A223 PolarHBondContact O-N 2.83Å; M221-S224 WeakPolarHBondContact O-CB 3.4Å; M221-S224 PolarHBondContact O-N 3.09Å; M221-M225 HydrophobicContact CB-CE 4.35Å; M221-M225 WeakPolarHBondContact O-CG 3.16Å; M221-M225 PolarHBondContact O-N 3.05Å
222	L	98.6	Very high	97.9	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-58.4	-49.9	178.9	-179.8	63.6	0	0	0	111.7	I133 M137 L218 G219 S224 M225 I226 F300 L301 L304 Y323	I133-L222 HydrophobicContact CG2-CD1 3.98Å; M137-L222 HydrophobicContact CE-CB 3.71Å; M137-L222 HydrophobicContact CE-CD1 4.18Å; M137-L222 HydrophobicContact CE-CD2 4.42Å; M137-L222 HydrophobicContact CE-CG 4.32Å; M137-L222 HydrophobicContact CG-CD1 4.18Å; M137-L222 HydrophobicContact SD-CB 4.38Å; M137-L222 HydrophobicContact SD-CD1 4.5Å; L218-L222 PolarHBondContact O-N 2.84Å; G219-L222 PolarHBondContact O-N 3.42Å; L222-S224 PolarHBondContact O-N 2.96Å; L222-M225 PolarHBondContact O-N 3.35Å; L222-I226 HydrophobicContact CD1-CG2 3.75Å; L222-I226 HydrophobicContact CG-CG2 4.37Å; L222-I226 WeakPolarHBondContact O-CG1 3.44Å; L222-I226 PolarHBondContact O-N 3.32Å; L222-F300 HydrophobicContact CD2-CD1 3.4Å; L222-F300 HydrophobicContact CD2-CE1 3.69Å; L222-F300 HydrophobicContact CD2-CG 4.37Å; L222-L301 HydrophobicContact CB-CD1 4.24Å; L222-L301 HydrophobicContact CD2-CB 4.06Å; L222-L301 HydrophobicContact CD2-CD1 4.08Å; L222-L301 HydrophobicContact CG-CD1 4.3Å; L222-L304 HydrophobicContact CD2-CD1 4.12Å; L222-Y323 HydrophobicContact CD1-CE1 4.22Å
223	A	98.7	Very high	97.9	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-57.2	-42.2	177.6	0	0	0	0	0	111.2	G219 M221 F227 F232 L301 L305	G219-A223 WeakPolarHBondContact O-CB 3.39Å; G219-A223 PolarHBondContact O-N 3.29Å; M221-A223 PolarHBondContact O-N 2.83Å; A223-F227 HydrophobicContact CB-CD2 4.25Å; A223-F227 HydrophobicContact CB-CE2 4.46Å; A223-F227 VanDerWaalsContact O-CB 3.3Å; A223-F227 WeakPolarHBondContact O-CB 3.26Å; A223-F227 WeakPolarHBondContact O-CD2 3.45Å; A223-F227 PolarHBondContact O-N 3.24Å; A223-F232 HydrophobicContact CB-CB 3.93Å; A223-F232 HydrophobicContact CB-CD1 3.74Å; A223-F232 HydrophobicContact CB-CD2 3.85Å; A223-F232 HydrophobicContact CB-CE1 4.2Å; A223-F232 HydrophobicContact CB-CE2 4.32Å; A223-F232 HydrophobicContact CB-CG 3.54Å; A223-F232 HydrophobicContact CB-CZ 4.48Å; A223-L301 HydrophobicContact CB-CD1 3.88Å; A223-L301 HydrophobicContact CB-CD2 3.84Å; A223-L305 HydrophobicContact CB-CD1 4.34Å
224	S	97.3	Very high	97.9	Very high	6 Å²	6	17.8 Å²	17.8	4%	0.042	8%	0.081	C	C	.	.	H	α-helix	trans	-59.4	-53	174.9	-55.6	0	0	0	0	109.1	Y125 C220 M221 L222 R228 K229 F232	Y125-S224 VanDerWaalsContact OH-C 3.24Å; Y125-S224 PolarHBondContact OH-O 2.85Å; C220-S224 WeakPolarHBondContact O-CB 3.42Å; C220-S224 PolarHBondContact O-N 2.91Å; C220-S224 VanDerWaalsContact O-N 3.11Å; C220-S224 PolarHBondContact O-OG 3.01Å; M221-S224 WeakPolarHBondContact O-CB 3.4Å; M221-S224 PolarHBondContact O-N 3.09Å; L222-S224 PolarHBondContact O-N 2.96Å; S224-R228 PolarHBondContact O-N 3.49Å; S224-R228 VanDerWaalsContact O-N 3.09Å; S224-K229 WeakPolarHBondContact CA-O 3.28Å; S224-K229 WeakPolarHBondContact CB-O 3.27Å; S224-K229 PolarHBondContact O-N 2.96Å; S224-K229 PolarHBondContact OG-O 2.75Å; S224-F232 PolarHBondContact OG-N 2.92Å
225	M	97.3	Very high	97.9	Very high	5 Å²	5	17.8 Å²	17.8	3%	0.025	8%	0.081	C	C	.	.	H	α-helix	trans	-57.1	-56.2	-177.7	-71.8	-173.9	-70.3	0	0	114.1	F121 Y125 L128 I133 M137 M221 L222 F227 R228	F121-M225 HydrophobicContact CE2-SD 4.38Å; F121-M225 HydrophobicContact CZ-CG 4.22Å; F121-M225 HydrophobicContact CZ-SD 4.22Å; Y125-M225 HydrophobicContact CD2-CB 4.47Å; Y125-M225 HydrophobicContact CD2-CG 3.69Å; Y125-M225 HydrophobicContact CE2-CB 4.09Å; Y125-M225 HydrophobicContact CE2-CG 3.67Å; L128-M225 HydrophobicContact CD1-SD 4.18Å; I133-M225 HydrophobicContact CD1-CB 4.03Å; I133-M225 HydrophobicContact CG1-CB 4.25Å; I133-M225 HydrophobicContact CG1-SD 4.45Å; I133-M225 HydrophobicContact CG2-CB 4.17Å; I133-M225 HydrophobicContact CG2-CE 4.21Å; I133-M225 HydrophobicContact CG2-SD 4.32Å; M137-M225 HydrophobicContact CG-CE 3.76Å; M137-M225 HydrophobicContact SD-CE 3.26Å; M137-M225 WeakPolarHBondContact SD-CE 3.38Å; M221-M225 HydrophobicContact CB-CE 4.35Å; M221-M225 WeakPolarHBondContact O-CG 3.16Å; M221-M225 PolarHBondContact O-N 3.05Å; L222-M225 PolarHBondContact O-N 3.35Å; M225-F227 VanDerWaalsContact C-N 3.32Å; M225-F227 PolarHBondContact O-N 3.45Å; M225-R228 PolarHBondContact O-N 2.63Å
226	I	98.4	Very high	97.8	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-71.5	-28.6	-173.4	70.4	179.4	0	0	0	112.5	I133 L222 L292 V293 A297 L298 L301	I133-I226 HydrophobicContact CD1-CG2 4.5Å; I133-I226 HydrophobicContact CG2-CG2 4.28Å; L222-I226 HydrophobicContact CD1-CG2 3.75Å; L222-I226 HydrophobicContact CG-CG2 4.37Å; L222-I226 WeakPolarHBondContact O-CG1 3.44Å; L222-I226 PolarHBondContact O-N 3.32Å; I226-L292 HydrophobicContact CB-CB 4.5Å; I226-V293 HydrophobicContact CB-CG2 4.28Å; I226-V293 WeakPolarHBondContact O-CG2 3.43Å; I226-A297 HydrophobicContact CD1-CB 4.31Å; I226-L298 HydrophobicContact CD1-CD2 4.24Å; I226-L301 HydrophobicContact CD1-CD2 4.02Å
227	F	98.2	Very high	97.8	Very high	3 Å²	3	26.8 Å²	26.8	1%	0.013	13%	0.125	C	C	.	.	H	α-helix	trans	-95.8	2.8	-179.7	-61	-52.6	0	0	0	114.5	A223 M225 K229 F232 W281 F284 V285 N289 V293 L298 L301	A223-F227 HydrophobicContact CB-CD2 4.25Å; A223-F227 HydrophobicContact CB-CE2 4.46Å; A223-F227 VanDerWaalsContact O-CB 3.3Å; A223-F227 WeakPolarHBondContact O-CB 3.26Å; A223-F227 WeakPolarHBondContact O-CD2 3.45Å; A223-F227 PolarHBondContact O-N 3.24Å; M225-F227 VanDerWaalsContact C-N 3.32Å; M225-F227 PolarHBondContact O-N 3.45Å; F227-K229 HydrophobicContact CB-CB 4.38Å; F227-K229 PolarHBondContact O-N 3.31Å; F227-F232 HydrophobicContact CB-CE2 4.35Å; F227-F232 AromaticContact CD2-CD2 3.9Å; F227-F232 HydrophobicContact CD2-CD2 3.9Å; F227-F232 AromaticContact CD2-CE2 3.35Å; F227-F232 HydrophobicContact CD2-CE2 3.35Å; F227-F232 HydrophobicContact CD2-CZ 4.04Å; F227-F232 AromaticContact CE2-CE2 3.96Å; F227-F232 HydrophobicContact CE2-CE2 3.96Å; F227-F232 HydrophobicContact CE2-CZ 4.19Å; F227-F232 HydrophobicContact CG-CE2 4.17Å; F227-W281 AromaticContact CE2-CE3 3.95Å; F227-W281 HydrophobicContact CE2-CE3 3.95Å; F227-W281 HydrophobicContact CE2-CZ3 4.44Å; F227-W281 HydrophobicContact CZ-CB 4.24Å; F227-W281 HydrophobicContact CZ-CE3 4.16Å; F227-F284 HydrophobicContact CB-CB 4.45Å; F227-F284 HydrophobicContact CD1-CB 3.62Å; F227-F284 HydrophobicContact CD2-CB 4.14Å; F227-F284 HydrophobicContact CE1-CB 3.78Å; F227-F284 HydrophobicContact CE2-CB 4.26Å; F227-F284 HydrophobicContact CE2-CD2 4.46Å; F227-F284 HydrophobicContact CG-CB 3.82Å; F227-F284 HydrophobicContact CZ-CB 4.1Å; F227-F284 HydrophobicContact CZ-CD2 4.47Å; F227-V285 HydrophobicContact CE1-CG2 4.1Å; F227-N289 WeakPolarHBondContact CA-ND2 3.09Å; F227-N289 PolarHBondContact O-ND2 3.05Å; F227-V293 HydrophobicContact CD1-CG2 4.12Å; F227-V293 HydrophobicContact CE1-CG2 4.07Å; F227-L298 HydrophobicContact CE1-CD2 3.96Å; F227-L298 HydrophobicContact CZ-CD2 3.64Å; F227-L301 HydrophobicContact CE2-CD2 3.57Å; F227-L301 HydrophobicContact CZ-CD2 4.15Å
228	R	96.4	Very high	97.7	Very high	61 Å²	61	30.3 Å²	30.3	23%	0.23	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	32.4	-176.1	-63.1	-66.1	-167.1	-167.7	-2.2	113.2	Y125 Q126 L128 S224 M225 N289 L292	Y125-R228 PolarHBondContact O-NH1 2.96Å; Y125-R228 WeakPolarHBondContact OH-CA 3.43Å; Q126-R228 PolarHBondContact O-NH1 2.86Å; Q126-R228 PolarHBondContact O-NH2 3.4Å; Q126-R228 VanDerWaalsContact O-NH2 3.1Å; L128-R228 PolarHBondContact O-NH2 2.95Å; S224-R228 PolarHBondContact O-N 3.49Å; S224-R228 VanDerWaalsContact O-N 3.09Å; M225-R228 PolarHBondContact O-N 2.63Å; R228-N289 HydrophobicContact CB-CB 4.18Å; R228-N289 HydrophobicContact CG-CB 3.76Å; R228-L292 HydrophobicContact CG-CD1 4.24Å
229	K	95.6	Very high	97.7	Very high	92 Å²	92	32.9 Å²	32.9	40%	0.4	15%	0.153	S	C	.	.			trans	-125.5	97.8	-174.1	-175.9	168.6	-179.6	-95.8	0	112.1	Y125 S224 F227 P231 F232	Y125-K229 PolarHBondContact OH-N 3.32Å; S224-K229 WeakPolarHBondContact CA-O 3.28Å; S224-K229 WeakPolarHBondContact CB-O 3.27Å; S224-K229 PolarHBondContact O-N 2.96Å; S224-K229 PolarHBondContact OG-O 2.75Å; F227-K229 HydrophobicContact CB-CB 4.38Å; F227-K229 PolarHBondContact O-N 3.31Å; K229-P231 CarbonylContact O-C 3.54Å; K229-F232 HydrophobicContact CB-CD2 4.35Å; K229-F232 HydrophobicContact CD-CD2 4.23Å; K229-F232 HydrophobicContact CD-CE2 4.46Å; K229-F232 HydrophobicContact CG-CD2 4.44Å; K229-F232 PolarHBondContact NZ-O 3.49Å; K229-F232 WeakPolarHBondContact O-CA 3.23Å; K229-F232 PolarHBondContact O-N 3.04Å
230	E	92.7	Very high	97.7	Very high	83 Å²	83	34.1 Å²	34.1	39%	0.388	16%	0.16	S	C	.	.	S	Bend	trans	-112.7	121.9	-178.1	-171.1	179.8	-157.2	0	0	112.3
231	P	96.5	Very high	97.7	Very high	17 Å²	17	34 Å²	34	11%	0.11	16%	0.16	C	C	.	.	S	Bend	cis	-72.9	154.5	-13.9	33.2	-37	0	0	0	112.1	Y196 K229 H234	Y196-P231 HydrophobicContact CD1-CB 4.23Å; Y196-P231 HydrophobicContact CD1-CG 3.94Å; Y196-P231 HydrophobicContact CD2-CB 3.58Å; Y196-P231 HydrophobicContact CD2-CG 3.54Å; Y196-P231 HydrophobicContact CE1-CG 4.13Å; Y196-P231 HydrophobicContact CE2-CB 4.26Å; Y196-P231 HydrophobicContact CE2-CG 3.72Å; Y196-P231 HydrophobicContact CG-CB 3.56Å; Y196-P231 HydrophobicContact CG-CG 3.66Å; K229-P231 CarbonylContact O-C 3.54Å; P231-H234 HydrophobicContact CG-CB 3.81Å
232	F	98.4	Very high	97.7	Very high	3 Å²	3	33.9 Å²	33.9	1%	0.013	16%	0.159	C	C	.	.	S	Bend	trans	-64.5	-51.7	177.4	-171.4	-104.3	0	0	0	112.3	A223 S224 F227 K229 V248 W281 F284	A223-F232 HydrophobicContact CB-CB 3.93Å; A223-F232 HydrophobicContact CB-CD1 3.74Å; A223-F232 HydrophobicContact CB-CD2 3.85Å; A223-F232 HydrophobicContact CB-CE1 4.2Å; A223-F232 HydrophobicContact CB-CE2 4.32Å; A223-F232 HydrophobicContact CB-CG 3.54Å; A223-F232 HydrophobicContact CB-CZ 4.48Å; S224-F232 PolarHBondContact OG-N 2.92Å; F227-F232 HydrophobicContact CB-CE2 4.35Å; F227-F232 AromaticContact CD2-CD2 3.9Å; F227-F232 HydrophobicContact CD2-CD2 3.9Å; F227-F232 AromaticContact CD2-CE2 3.35Å; F227-F232 HydrophobicContact CD2-CE2 3.35Å; F227-F232 HydrophobicContact CD2-CZ 4.04Å; F227-F232 AromaticContact CE2-CE2 3.96Å; F227-F232 HydrophobicContact CE2-CE2 3.96Å; F227-F232 HydrophobicContact CE2-CZ 4.19Å; F227-F232 HydrophobicContact CG-CE2 4.17Å; K229-F232 HydrophobicContact CB-CD2 4.35Å; K229-F232 HydrophobicContact CD-CD2 4.23Å; K229-F232 HydrophobicContact CD-CE2 4.46Å; K229-F232 HydrophobicContact CG-CD2 4.44Å; K229-F232 PolarHBondContact NZ-O 3.49Å; K229-F232 WeakPolarHBondContact O-CA 3.23Å; K229-F232 PolarHBondContact O-N 3.04Å; F232-V248 HydrophobicContact CE1-CG1 4.47Å; F232-W281 AromaticContact CE1-CZ3 3.86Å; F232-W281 HydrophobicContact CE1-CZ3 3.86Å; F232-W281 HydrophobicContact CZ-CE3 4.44Å; F232-W281 AromaticContact CZ-CZ3 3.8Å; F232-W281 HydrophobicContact CZ-CZ3 3.8Å; F232-F284 HydrophobicContact CE2-CD1 4.13Å; F232-F284 HydrophobicContact CE2-CE1 4.45Å; F232-F284 HydrophobicContact CE2-CG 4.16Å; F232-F284 HydrophobicContact CZ-CD1 4.17Å; F232-F284 HydrophobicContact CZ-CD2 4.1Å; F232-F284 HydrophobicContact CZ-CE1 4.12Å; F232-F284 HydrophobicContact CZ-CE2 4.06Å; F232-F284 HydrophobicContact CZ-CG 4.16Å; F232-F284 HydrophobicContact CZ-CZ 4.07Å
233	F	98.8	Very high	97.7	Very high	3 Å²	3	34.1 Å²	34.1	1%	0.013	16%	0.16	C	C	.	.	S	Bend	trans	-99.7	103.1	172.4	-61.5	-65.9	0	0	0	110.2	Y196 W216 Q241 R244 I245 V248 L305	Y196-F233 WeakPolarHBondContact CD1-O 3.5Å; W216-F233 HydrophobicContact CH2-CE2 4.41Å; W216-F233 HydrophobicContact CZ2-CD2 4.39Å; W216-F233 HydrophobicContact CZ2-CE2 4Å; F233-Q241 PolarHBondContact O-NE2 3.42Å; F233-Q241 PolarHBondContact O-OE1 3.36Å; F233-R244 HydrophobicContact CB-CB 4.43Å; F233-R244 HydrophobicContact CD1-CB 4.46Å; F233-I245 HydrophobicContact CB-CG1 4.33Å; F233-I245 HydrophobicContact CD1-CB 4.48Å; F233-I245 HydrophobicContact CD1-CG1 3.92Å; F233-I245 HydrophobicContact CD2-CG1 4.09Å; F233-I245 HydrophobicContact CE1-CB 4.43Å; F233-I245 HydrophobicContact CE1-CG1 4.19Å; F233-I245 HydrophobicContact CE2-CG1 4.35Å; F233-I245 HydrophobicContact CG-CG1 3.87Å; F233-I245 HydrophobicContact CZ-CG1 4.4Å; F233-V248 HydrophobicContact CD1-CG2 4.43Å; F233-V248 HydrophobicContact CE1-CB 3.87Å; F233-V248 HydrophobicContact CE1-CG1 4.36Å; F233-V248 HydrophobicContact CE1-CG2 3.77Å; F233-L305 HydrophobicContact CE2-CD1 3.96Å; F233-L305 HydrophobicContact CE2-CD2 4.36Å; F233-L305 HydrophobicContact CZ-CD1 4.17Å
234	H	98.6	Very high	97.7	Very high	95 Å²	95	37.8 Å²	37.8	44%	0.44	17%	0.174	S	C	.	.			trans	-104.4	76.3	-171.2	-160.2	170.6	0	0	0	112	Y196 P231	Y196-H234 AromaticContact CE1-CD2 3.59Å; Y196-H234 AromaticContact CZ-CD2 3.62Å; Y196-H234 AromaticContact CZ-NE2 3.85Å; Y196-H234 PolarHBondContact OH-CD2 3.01Å; Y196-H234 PolarHBondContact OH-NE2 2.88Å; P231-H234 HydrophobicContact CG-CB 3.81Å
235	G	98.4	Very high	97.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	17%	0.172	C	C	.	.			trans	-82.8	140.9	176.4	0	0	0	0	0	113.6	R195 Y196 D240 Q241	R195-G235 WeakPolarHBondContact CD-O 3.41Å; R195-G235 PolarHBondContact NH1-O 3.47Å; Y196-G235 WeakPolarHBondContact CE1-O 3.35Å; G235-D240 WeakPolarHBondContact CA-OD2 3.42Å; G235-Q241 VanDerWaalsContact CA-OE1 3.29Å
236	H	97.7	Very high	97.9	Very high	137 Å²	137	37.2 Å²	37.2	63%	0.634	17%	0.171	S	C	*	.	S	Bend	trans	-69.9	-34.8	176.5	-61.1	-57.7	0	0	0	113.1	R195 D240 R244	R195-H236 PolarHBondContact NH1-O 2.86Å; R195-H236 PolarHBondContact NH2-O 2.76Å; H236-D240 HydrophobicContact CB-CB 4.43Å; H236-D240 IonicContact CD2-OD2 3.16Å; H236-D240 PolarHBondContact CD2-OD2 3.39Å; H236-D240 IonicContact CG-OD2 3.65Å; H236-D240 PolarHBondContact N-OD2 3.14Å; H236-D240 IonicContact NE2-OD2 3.97Å; H236-R244 PolarHBondContact CD2-NH2 3.12Å; H236-R244 PolarHBondContact NE2-NH2 3.11Å; H236-R244 VanDerWaalsContact NE2-NH2 3.17Å
237	D	98.1	Very high	97.9	Very high	53 Å²	53	41.3 Å²	41.3	28%	0.283	19%	0.189	S	C	.	.	S	Bend	trans	-141.4	-173.5	173.3	65.2	24.5	0	0	0	109.8	Y239 D240 Q241 R268	D237-Y239 VanDerWaalsContact C-N 3.28Å; D237-Y239 PolarHBondContact O-N 2.91Å; D237-Y239 WeakPolarHBondContact OD1-CA 3.43Å; D237-Y239 WeakPolarHBondContact OD1-CB 3.38Å; D237-Y239 PolarHBondContact OD1-N 3.28Å; D237-D240 PolarHBondContact OD1-N 3.2Å; D237-Q241 WeakPolarHBondContact O-CB 3.49Å; D237-Q241 PolarHBondContact O-N 3.38Å; D237-R268 IonicContact OD2-NH2 3.23Å; D237-R268 PolarHBondContact OD2-NH2 3.48Å
238	N	98.2	Very high	97.9	Very high	73 Å²	73	41.8 Å²	41.8	39%	0.39	19%	0.192	S	C	.	.	H	α-helix	trans	-67.9	-28.3	179.9	-69.3	-11.4	0	0	0	112.7	L203 Q241	L203-N238 HydrophobicContact CD2-CB 4.11Å; N238-Q241 WeakPolarHBondContact O-CB 3.14Å
239	Y	98.2	Very high	98	Very high	54 Å²	54	39 Å²	39	21%	0.212	18%	0.181	C	C	.	.	H	α-helix	trans	-74	-49.6	179.4	-64.4	-86.7	0	0	0	110.3	D237 Q241 L242 V243 E266 R268 F269	D237-Y239 VanDerWaalsContact C-N 3.28Å; D237-Y239 PolarHBondContact O-N 2.91Å; D237-Y239 WeakPolarHBondContact OD1-CA 3.43Å; D237-Y239 WeakPolarHBondContact OD1-CB 3.38Å; D237-Y239 PolarHBondContact OD1-N 3.28Å; Y239-Q241 PolarHBondContact O-N 2.94Å; Y239-L242 PolarHBondContact O-N 3.26Å; Y239-L242 VanDerWaalsContact O-N 3.16Å; Y239-V243 PolarHBondContact O-N 2.93Å; Y239-E266 WeakPolarHBondContact CE1-OE2 3.48Å; Y239-E266 VanDerWaalsContact CZ-OE2 3.25Å; Y239-E266 PolarHBondContact OH-OE1 3.14Å; Y239-E266 PolarHBondContact OH-OE2 3.43Å; Y239-R268 HydrophobicContact CD1-CB 4.35Å; Y239-R268 HydrophobicContact CD1-CG 4.06Å; Y239-R268 HydrophobicContact CE1-CB 4.17Å; Y239-R268 HydrophobicContact CE1-CG 4.24Å; Y239-F269 HydrophobicContact CD1-CD1 4.34Å; Y239-F269 HydrophobicContact CD1-CD2 4.42Å; Y239-F269 AromaticContact CD1-CE1 3.73Å; Y239-F269 HydrophobicContact CD1-CE1 3.73Å; Y239-F269 AromaticContact CD1-CE2 3.85Å; Y239-F269 HydrophobicContact CD1-CE2 3.85Å; Y239-F269 AromaticContact CD1-CZ 3.47Å; Y239-F269 HydrophobicContact CD1-CZ 3.47Å; Y239-F269 VanDerWaalsContact CD1-CZ 3.47Å; Y239-F269 HydrophobicContact CE1-CE2 4.04Å; Y239-F269 HydrophobicContact CE1-CZ 4.07Å; Y239-F269 HydrophobicContact CG-CE1 4.38Å; Y239-F269 HydrophobicContact CG-CZ 4.32Å
240	D	98.6	Very high	98.2	Very high	27 Å²	27	34.7 Å²	34.7	14%	0.144	16%	0.163	C	C	.	.	H	α-helix	trans	-62.9	-29.2	174.7	-174.1	53.6	0	0	0	111.4	G235 H236 D237 L242 V243 R244	G235-D240 WeakPolarHBondContact CA-OD2 3.42Å; H236-D240 HydrophobicContact CB-CB 4.43Å; H236-D240 IonicContact CD2-OD2 3.16Å; H236-D240 PolarHBondContact CD2-OD2 3.39Å; H236-D240 IonicContact CG-OD2 3.65Å; H236-D240 PolarHBondContact N-OD2 3.14Å; H236-D240 IonicContact NE2-OD2 3.97Å; D237-D240 PolarHBondContact OD1-N 3.2Å; D240-L242 VanDerWaalsContact C-N 3.32Å; D240-L242 PolarHBondContact O-N 3.25Å; D240-V243 WeakPolarHBondContact O-CB 3.47Å; D240-V243 PolarHBondContact O-N 2.9Å; D240-V243 VanDerWaalsContact O-N 3.14Å; D240-R244 WeakPolarHBondContact O-CG 3.42Å; D240-R244 PolarHBondContact O-N 2.75Å; D240-R244 IonicContact OD1-CZ 3.86Å; D240-R244 IonicContact OD1-NE 3.77Å; D240-R244 PolarHBondContact OD1-NE 3.37Å; D240-R244 IonicContact OD1-NH2 3.01Å; D240-R244 IonicContact OD2-CZ 2.68Å; D240-R244 IonicContact OD2-NE 3.63Å; D240-R244 PolarHBondContact OD2-NE 2.99Å; D240-R244 IonicContact OD2-NH2 2.89Å; D240-R244 PolarHBondContact OD2-NH2 2.96Å
241	Q	98.9	Very high	98.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-56.5	-45.4	173.9	-172	66	25.3	0	0	111.9	R195 L203 F233 G235 D237 N238 Y239 V243 R244 I245	R195-Q241 HydrophobicContact CG-CB 4.22Å; R195-Q241 HydrophobicContact CG-CG 4.24Å; L203-Q241 HydrophobicContact CD1-CB 4.13Å; L203-Q241 HydrophobicContact CD1-CG 3.78Å; L203-Q241 HydrophobicContact CD2-CB 4.27Å; L203-Q241 HydrophobicContact CD2-CG 4.29Å; F233-Q241 PolarHBondContact O-NE2 3.42Å; F233-Q241 PolarHBondContact O-OE1 3.36Å; G235-Q241 VanDerWaalsContact CA-OE1 3.29Å; D237-Q241 WeakPolarHBondContact O-CB 3.49Å; D237-Q241 PolarHBondContact O-N 3.38Å; N238-Q241 WeakPolarHBondContact O-CB 3.14Å; Y239-Q241 PolarHBondContact O-N 2.94Å; Q241-V243 VanDerWaalsContact C-N 3.34Å; Q241-R244 PolarHBondContact O-N 2.77Å; Q241-I245 HydrophobicContact CG-CD1 4.47Å; Q241-I245 WeakPolarHBondContact O-CG1 3.08Å; Q241-I245 PolarHBondContact O-N 3.43Å; Q241-I245 VanDerWaalsContact O-N 3.17Å
242	L	98.8	Very high	98.6	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-66.5	-37.7	176.8	-172.6	62	0	0	0	111.4	P200 L203 V204 Y239 D240 R244 I245 A246 L254 F269 L273 Y307	P200-L242 HydrophobicContact CB-CD1 4.48Å; L203-L242 HydrophobicContact CB-CB 4.25Å; L203-L242 HydrophobicContact CB-CD1 4.36Å; L203-L242 HydrophobicContact CD1-CB 4.1Å; L203-L242 HydrophobicContact CD1-CD1 4.27Å; V204-L242 HydrophobicContact CG1-CD1 4.44Å; V204-L242 HydrophobicContact CG1-CD2 3.58Å; Y239-L242 PolarHBondContact O-N 3.26Å; Y239-L242 VanDerWaalsContact O-N 3.16Å; D240-L242 VanDerWaalsContact C-N 3.32Å; D240-L242 PolarHBondContact O-N 3.25Å; L242-R244 VanDerWaalsContact C-N 3.33Å; L242-R244 PolarHBondContact O-N 3.38Å; L242-I245 WeakPolarHBondContact O-CB 3.26Å; L242-I245 PolarHBondContact O-N 2.9Å; L242-I245 VanDerWaalsContact O-N 3.16Å; L242-A246 WeakPolarHBondContact O-CB 3.2Å; L242-A246 PolarHBondContact O-N 3.21Å; L242-L254 HydrophobicContact CD1-CD1 4.26Å; L242-L254 HydrophobicContact CD1-CD2 4.44Å; L242-L254 HydrophobicContact CD2-CD2 4.44Å; L242-L254 HydrophobicContact CG-CD2 4.37Å; L242-F269 HydrophobicContact CB-CE1 3.88Å; L242-F269 HydrophobicContact CB-CZ 4.39Å; L242-F269 HydrophobicContact CD2-CD1 3.96Å; L242-F269 HydrophobicContact CD2-CE1 3.57Å; L242-F269 HydrophobicContact CD2-CE2 4.38Å; L242-F269 HydrophobicContact CD2-CZ 3.79Å; L242-F269 HydrophobicContact CG-CE1 4.31Å; L242-L273 HydrophobicContact CD2-CD2 4.13Å; L242-L273 HydrophobicContact CG-CD2 4.01Å; L242-Y307 HydrophobicContact CD1-CE1 4.48Å
243	V	98.7	Very high	98.6	Very high	5 Å²	5	38.2 Å²	38.2	3%	0.03	18%	0.181	C	C	.	.	H	α-helix	trans	-60	-42	174	178.8	0	0	0	0	111.2	Y239 D240 Q241 I245 A246 K247 I272 L273	Y239-V243 PolarHBondContact O-N 2.93Å; D240-V243 WeakPolarHBondContact O-CB 3.47Å; D240-V243 PolarHBondContact O-N 2.9Å; D240-V243 VanDerWaalsContact O-N 3.14Å; Q241-V243 VanDerWaalsContact C-N 3.34Å; V243-I245 VanDerWaalsContact C-N 3.3Å; V243-I245 PolarHBondContact O-N 3.15Å; V243-A246 PolarHBondContact O-N 3.24Å; V243-K247 HydrophobicContact CG1-CD 4.23Å; V243-K247 WeakPolarHBondContact O-CG 3.4Å; V243-K247 PolarHBondContact O-N 3.1Å; V243-I272 HydrophobicContact CG2-CB 4.08Å; V243-I272 HydrophobicContact CG2-CD1 3.89Å; V243-I272 HydrophobicContact CG2-CG1 3.81Å; V243-I272 WeakPolarHBondContact CG2-O 3.31Å; V243-L273 HydrophobicContact CG2-CD2 4.16Å
244	R	98.8	Very high	98.6	Very high	76 Å²	76	38.1 Å²	38.1	29%	0.287	18%	0.18	S	C	.	.	H	α-helix	trans	-63.4	-36.8	176.1	-61.1	-43.7	171.3	152.6	-0.7	112.3	F233 H236 D240 Q241 L242	F233-R244 HydrophobicContact CB-CB 4.43Å; F233-R244 HydrophobicContact CD1-CB 4.46Å; H236-R244 PolarHBondContact CD2-NH2 3.12Å; H236-R244 PolarHBondContact NE2-NH2 3.11Å; H236-R244 VanDerWaalsContact NE2-NH2 3.17Å; D240-R244 WeakPolarHBondContact O-CG 3.42Å; D240-R244 PolarHBondContact O-N 2.75Å; D240-R244 IonicContact OD1-CZ 3.86Å; D240-R244 IonicContact OD1-NE 3.77Å; D240-R244 PolarHBondContact OD1-NE 3.37Å; D240-R244 IonicContact OD1-NH2 3.01Å; D240-R244 IonicContact OD2-CZ 2.68Å; D240-R244 IonicContact OD2-NE 3.63Å; D240-R244 PolarHBondContact OD2-NE 2.99Å; D240-R244 IonicContact OD2-NH2 2.89Å; D240-R244 PolarHBondContact OD2-NH2 2.96Å; Q241-R244 PolarHBondContact O-N 2.77Å; L242-R244 VanDerWaalsContact C-N 3.33Å; L242-R244 PolarHBondContact O-N 3.38Å
245	I	98.9	Very high	98.6	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-67.3	-49.5	175.2	-63.6	163.6	0	0	0	110	L203 W216 F233 Q241 L242 V243 K247 V248 L249 Y307	L203-I245 HydrophobicContact CD1-CD1 3.64Å; W216-I245 HydrophobicContact CH2-CD1 4.26Å; W216-I245 HydrophobicContact CH2-CG1 4.37Å; W216-I245 HydrophobicContact CH2-CG2 3.6Å; W216-I245 HydrophobicContact CZ2-CD1 3.58Å; W216-I245 HydrophobicContact CZ2-CG1 3.91Å; W216-I245 HydrophobicContact CZ2-CG2 4.01Å; F233-I245 HydrophobicContact CB-CG1 4.33Å; F233-I245 HydrophobicContact CD1-CB 4.48Å; F233-I245 HydrophobicContact CD1-CG1 3.92Å; F233-I245 HydrophobicContact CD2-CG1 4.09Å; F233-I245 HydrophobicContact CE1-CB 4.43Å; F233-I245 HydrophobicContact CE1-CG1 4.19Å; F233-I245 HydrophobicContact CE2-CG1 4.35Å; F233-I245 HydrophobicContact CG-CG1 3.87Å; F233-I245 HydrophobicContact CZ-CG1 4.4Å; Q241-I245 HydrophobicContact CG-CD1 4.47Å; Q241-I245 WeakPolarHBondContact O-CG1 3.08Å; Q241-I245 PolarHBondContact O-N 3.43Å; Q241-I245 VanDerWaalsContact O-N 3.17Å; L242-I245 WeakPolarHBondContact O-CB 3.26Å; L242-I245 PolarHBondContact O-N 2.9Å; L242-I245 VanDerWaalsContact O-N 3.16Å; V243-I245 VanDerWaalsContact C-N 3.3Å; V243-I245 PolarHBondContact O-N 3.15Å; I245-K247 VanDerWaalsContact C-N 3.28Å; I245-K247 PolarHBondContact O-N 2.92Å; I245-V248 PolarHBondContact O-N 3.27Å; I245-L249 HydrophobicContact CG2-CD1 3.79Å; I245-L249 HydrophobicContact CG2-CG 4.16Å; I245-L249 PolarHBondContact O-N 3.37Å; I245-Y307 HydrophobicContact CG2-CE1 3.61Å
246	A	98.8	Very high	98.6	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-57.4	-35.5	177.8	0	0	0	0	0	114	L242 V243 V248 G250 T251 L254 L273 H276 Y307	L242-A246 WeakPolarHBondContact O-CB 3.2Å; L242-A246 PolarHBondContact O-N 3.21Å; V243-A246 PolarHBondContact O-N 3.24Å; A246-V248 PolarHBondContact O-N 3.38Å; A246-G250 CarbonylContact O-C 3.5Å; A246-G250 WeakPolarHBondContact O-CA 3.41Å; A246-G250 PolarHBondContact O-N 3.07Å; A246-T251 HydrophobicContact CB-CG2 3.99Å; A246-L254 HydrophobicContact CB-CD2 4.35Å; A246-L273 HydrophobicContact CB-CD2 4.27Å; A246-H276 WeakPolarHBondContact O-CB 3.43Å; A246-Y307 WeakPolarHBondContact CA-OH 3.45Å; A246-Y307 PolarHBondContact N-OH 2.71Å
247	K	98.8	Very high	98.6	Very high	85 Å²	85	36.4 Å²	36.4	37%	0.37	17%	0.173	S	C	.	.	H	α-helix	trans	-64.2	-19.6	174.7	-78.3	174.3	178.2	172.8	0	114.1	V243 I245 H276 K279	V243-K247 HydrophobicContact CG1-CD 4.23Å; V243-K247 WeakPolarHBondContact O-CG 3.4Å; V243-K247 PolarHBondContact O-N 3.1Å; I245-K247 VanDerWaalsContact C-N 3.28Å; I245-K247 PolarHBondContact O-N 2.92Å; K247-H276 WeakPolarHBondContact CE-NE2 3.39Å; K247-H276 VanDerWaalsContact CG-NE2 3.32Å; K247-H276 WeakPolarHBondContact CG-NE2 3.37Å; K247-K279 WeakPolarHBondContact O-CE 3.37Å; K247-K279 WeakPolarHBondContact O-CG 3.42Å
248	V	98.8	Very high	98.6	Very high	14 Å²	14	34.4 Å²	34.4	9%	0.085	16%	0.162	C	C	.	.	H	α-helix	trans	-105.4	-54	179.2	-178.3	0	0	0	0	111.2	F232 F233 I245 A246 G250 K279 W281 F284	F232-V248 HydrophobicContact CE1-CG1 4.47Å; F233-V248 HydrophobicContact CD1-CG2 4.43Å; F233-V248 HydrophobicContact CE1-CB 3.87Å; F233-V248 HydrophobicContact CE1-CG1 4.36Å; F233-V248 HydrophobicContact CE1-CG2 3.77Å; I245-V248 PolarHBondContact O-N 3.27Å; A246-V248 PolarHBondContact O-N 3.38Å; V248-G250 VanDerWaalsContact C-N 3.31Å; V248-G250 PolarHBondContact O-N 3.23Å; V248-K279 PolarHBondContact O-N 3.37Å; V248-W281 HydrophobicContact CG1-CH2 3.94Å; V248-W281 HydrophobicContact CG1-CZ3 3.73Å; V248-F284 HydrophobicContact CB-CZ 4.42Å; V248-F284 HydrophobicContact CG1-CE2 3.87Å; V248-F284 HydrophobicContact CG1-CZ 3.79Å; V248-F284 HydrophobicContact CG2-CZ 3.83Å
249	L	98.8	Very high	98.6	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-81.8	-11.7	-175.9	-60.3	-172.2	0	0	0	113.2	W216 I245 R278 W281 L305 Y307	W216-L249 HydrophobicContact CH2-CD1 3.67Å; W216-L249 HydrophobicContact CZ3-CD1 3.85Å; I245-L249 HydrophobicContact CG2-CD1 3.79Å; I245-L249 HydrophobicContact CG2-CG 4.16Å; I245-L249 PolarHBondContact O-N 3.37Å; L249-R278 WeakPolarHBondContact O-CB 3.43Å; L249-R278 WeakPolarHBondContact O-CG 3.46Å; L249-W281 HydrophobicContact CD2-CH2 3.94Å; L249-W281 HydrophobicContact CD2-CZ2 3.95Å; L249-L305 WeakPolarHBondContact CD1-O 3.17Å; L249-L305 HydrophobicContact CD2-CB 4.46Å; L249-Y307 HydrophobicContact CB-CD2 4.26Å; L249-Y307 HydrophobicContact CB-CE2 3.38Å; L249-Y307 HydrophobicContact CD1-CD2 4.37Å; L249-Y307 HydrophobicContact CD1-CE1 4.46Å; L249-Y307 HydrophobicContact CD1-CE2 4.09Å; L249-Y307 HydrophobicContact CG-CE2 4.39Å
250	G	98.7	Very high	98.7	Very high	2 Å²	2	38.8 Å²	38.8	2%	0.021	18%	0.184	C	C	.	.			trans	88.3	157.1	-178.6	0	0	0	0	0	112.5	A246 V248 H276 Y307	A246-G250 CarbonylContact O-C 3.5Å; A246-G250 WeakPolarHBondContact O-CA 3.41Å; A246-G250 PolarHBondContact O-N 3.07Å; V248-G250 VanDerWaalsContact C-N 3.31Å; V248-G250 PolarHBondContact O-N 3.23Å; G250-H276 CarbonylContact C-O 3.54Å; G250-H276 WeakPolarHBondContact CA-O 3.37Å; G250-Y307 WeakPolarHBondContact O-CE2 3.44Å; G250-Y307 PolarHBondContact O-OH 3.17Å; G250-Y307 VanDerWaalsContact O-OH 3.14Å
251	T	98.6	Very high	98.7	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.018	18%	0.179	C	C	.	.	S	Bend	trans	-88	-22.8	180	49.1	0	0	0	0	112.9	A246 L254 Y255 H276	A246-T251 HydrophobicContact CB-CG2 3.99Å; T251-L254 PolarHBondContact O-N 3.19Å; T251-Y255 WeakPolarHBondContact O-CD2 3.48Å; T251-Y255 PolarHBondContact O-N 3.31Å; T251-H276 HydrophobicContact CG2-CB 4.13Å; T251-H276 PolarHBondContact N-O 3.33Å; T251-H276 PolarHBondContact OG1-N 3.29Å; T251-H276 PolarHBondContact OG1-O 2.97Å
252	E	98.5	Very high	98.6	Very high	111 Å²	111	40.5 Å²	40.5	52%	0.519	20%	0.196	S	C	.	.	H	α-helix	trans	-64.3	-56	179.3	-68.5	176.1	178.4	0	0	110.3	L254 Y255 D256 R275	E252-L254 PolarHBondContact O-N 3.31Å; E252-L254 VanDerWaalsContact O-N 3.09Å; E252-Y255 PolarHBondContact O-N 3.15Å; E252-D256 PolarHBondContact O-N 2.95Å; E252-R275 IonicContact OE1-CZ 3.06Å; E252-R275 IonicContact OE1-NE 2.98Å; E252-R275 IonicContact OE1-NH2 3.53Å; E252-R275 PolarHBondContact OE1-NH2 3.3Å
253	D	98.4	Very high	98.6	Very high	64 Å²	64	41.2 Å²	41.2	34%	0.342	20%	0.2	S	C	.	.	H	α-helix	trans	-56.6	-28.8	174.7	-61.3	-2	0	0	0	113.6	Y257 R278 Y307	D253-Y257 WeakPolarHBondContact O-CB 3.48Å; D253-Y257 PolarHBondContact O-N 2.94Å; D253-R278 IonicContact OD2-NH1 3.53Å; D253-R278 PolarHBondContact OD2-NH1 3.2Å; D253-Y307 HydrophobicContact CB-CD2 3.69Å; D253-Y307 HydrophobicContact CB-CE2 4Å
254	L	98.7	Very high	98.5	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-71.4	-46.1	176.6	173.3	60.3	0	0	0	111.3	L242 A246 T251 E252 Y257 I258 L273 Y307	L242-L254 HydrophobicContact CD1-CD1 4.26Å; L242-L254 HydrophobicContact CD1-CD2 4.44Å; L242-L254 HydrophobicContact CD2-CD2 4.44Å; L242-L254 HydrophobicContact CG-CD2 4.37Å; A246-L254 HydrophobicContact CB-CD2 4.35Å; T251-L254 PolarHBondContact O-N 3.19Å; E252-L254 PolarHBondContact O-N 3.31Å; E252-L254 VanDerWaalsContact O-N 3.09Å; L254-Y257 HydrophobicContact CD1-CD1 4.48Å; L254-Y257 WeakPolarHBondContact O-CB 3.43Å; L254-Y257 PolarHBondContact O-N 3.42Å; L254-I258 HydrophobicContact CD1-CD1 3.99Å; L254-I258 HydrophobicContact CD1-CG1 4.35Å; L254-I258 HydrophobicContact CG-CD1 3.94Å; L254-I258 VanDerWaalsContact O-CG1 3.31Å; L254-I258 WeakPolarHBondContact O-CG1 3.35Å; L254-I258 PolarHBondContact O-N 3.34Å; L254-L273 HydrophobicContact CD2-CD1 3.98Å; L254-L273 HydrophobicContact CD2-CD2 4.05Å; L254-Y307 HydrophobicContact CB-CD1 4.34Å; L254-Y307 HydrophobicContact CB-CD2 4.23Å; L254-Y307 HydrophobicContact CB-CE1 3.99Å; L254-Y307 HydrophobicContact CB-CE2 3.86Å; L254-Y307 HydrophobicContact CB-CG 4.45Å; L254-Y307 HydrophobicContact CD1-CD1 3.75Å; L254-Y307 HydrophobicContact CD1-CE1 3.7Å; L254-Y307 HydrophobicContact CD1-CG 4.43Å; L254-Y307 HydrophobicContact CG-CE1 4.27Å
255	Y	98.5	Very high	98.3	Very high	86 Å²	86	46.5 Å²	46.5	34%	0.337	23%	0.228	S	C	.	.	H	α-helix	trans	-68.9	-37.9	178.5	-71.2	-59.2	0	0	0	111.4	T251 E252 Y257 I258 D259	T251-Y255 WeakPolarHBondContact O-CD2 3.48Å; T251-Y255 PolarHBondContact O-N 3.31Å; E252-Y255 PolarHBondContact O-N 3.15Å; Y255-Y257 VanDerWaalsContact C-N 3.26Å; Y255-Y257 PolarHBondContact O-N 3.26Å; Y255-I258 HydrophobicContact CD1-CD1 4.08Å; Y255-I258 HydrophobicContact CE1-CD1 4.46Å; Y255-I258 PolarHBondContact O-N 2.91Å; Y255-I258 VanDerWaalsContact O-N 3.13Å; Y255-D259 WeakPolarHBondContact O-CB 3.43Å; Y255-D259 PolarHBondContact O-N 3.07Å
256	D	98.7	Very high	98.1	Very high	105 Å²	105	50.8 Å²	50.8	56%	0.561	25%	0.248	S	C	*	.	H	α-helix	trans	-58.3	-39.9	172.3	-71.1	-11	0	0	0	111.8	E252 K260	E252-D256 PolarHBondContact O-N 2.95Å; D256-K260 WeakPolarHBondContact O-CB 3.44Å; D256-K260 PolarHBondContact O-N 3.13Å
257	Y	98.8	Very high	97.9	Very high	5 Å²	5	55.3 Å²	55.3	2%	0.02	28%	0.278	C	S	.	.	H	α-helix	trans	-65.4	-45.7	174.3	167.3	-108.3	0	0	0	112.3	V204 D253 L254 Y255 D259 K260 Y261 I263 D308 H309	V204-Y257 HydrophobicContact CG2-CE1 3.98Å; D253-Y257 WeakPolarHBondContact O-CB 3.48Å; D253-Y257 PolarHBondContact O-N 2.94Å; L254-Y257 HydrophobicContact CD1-CD1 4.48Å; L254-Y257 WeakPolarHBondContact O-CB 3.43Å; L254-Y257 PolarHBondContact O-N 3.42Å; Y255-Y257 VanDerWaalsContact C-N 3.26Å; Y255-Y257 PolarHBondContact O-N 3.26Å; Y257-D259 VanDerWaalsContact C-N 3.34Å; Y257-D259 PolarHBondContact O-N 2.89Å; Y257-K260 PolarHBondContact O-N 2.98Å; Y257-Y261 AromaticContact CD2-CD2 3.47Å; Y257-Y261 HydrophobicContact CD2-CD2 3.47Å; Y257-Y261 VanDerWaalsContact CD2-CD2 3.47Å; Y257-Y261 AromaticContact CD2-CE2 3.5Å; Y257-Y261 HydrophobicContact CD2-CE2 3.5Å; Y257-Y261 VanDerWaalsContact CD2-CE2 3.5Å; Y257-Y261 AromaticContact CE2-CD2 3.3Å; Y257-Y261 HydrophobicContact CE2-CD2 3.3Å; Y257-Y261 AromaticContact CE2-CE2 3.34Å; Y257-Y261 HydrophobicContact CE2-CE2 3.34Å; Y257-Y261 HydrophobicContact CE2-CG 4.4Å; Y257-Y261 HydrophobicContact CG-CD2 4.45Å; Y257-Y261 WeakPolarHBondContact O-CD2 3.21Å; Y257-Y261 PolarHBondContact O-N 2.88Å; Y257-I263 HydrophobicContact CD1-CD1 4.27Å; Y257-I263 HydrophobicContact CE1-CD1 3.61Å; Y257-D308 VanDerWaalsContact CD2-CA 3.45Å; Y257-D308 HydrophobicContact CD2-CB 3.93Å; Y257-H309 AromaticContact CE2-ND1 3.68Å
258	I	98.5	Very high	97.7	Very high	11 Å²	11	56.8 Å²	56.8	6%	0.056	28%	0.281	C	S	.	.	H	α-helix	trans	-59.8	-46.6	177.7	-72	164.6	0	0	0	110.5	L254 Y255 Y261 S262 I263 L265	L254-I258 HydrophobicContact CD1-CD1 3.99Å; L254-I258 HydrophobicContact CD1-CG1 4.35Å; L254-I258 HydrophobicContact CG-CD1 3.94Å; L254-I258 VanDerWaalsContact O-CG1 3.31Å; L254-I258 WeakPolarHBondContact O-CG1 3.35Å; L254-I258 PolarHBondContact O-N 3.34Å; Y255-I258 HydrophobicContact CD1-CD1 4.08Å; Y255-I258 HydrophobicContact CE1-CD1 4.46Å; Y255-I258 PolarHBondContact O-N 2.91Å; Y255-I258 VanDerWaalsContact O-N 3.13Å; I258-Y261 PolarHBondContact O-N 3.5Å; I258-S262 WeakPolarHBondContact O-CA 3.43Å; I258-S262 PolarHBondContact O-N 3.2Å; I258-I263 HydrophobicContact CG2-CB 4.21Å; I258-I263 WeakPolarHBondContact CG2-O 3.31Å; I258-I263 PolarHBondContact O-N 2.94Å; I258-L265 HydrophobicContact CD1-CD1 3.99Å; I258-L265 HydrophobicContact CD1-CD2 3.96Å; I258-L265 HydrophobicContact CD1-CG 4.39Å
259	D	98.3	Very high	97.5	Very high	113 Å²	113	56.2 Å²	56.2	60%	0.604	28%	0.277	S	S	*	.	H	α-helix	trans	-65.2	-46.3	179.3	-71.6	-13	0	0	0	111.2	Y255 Y257 Y261 S262	Y255-D259 WeakPolarHBondContact O-CB 3.43Å; Y255-D259 PolarHBondContact O-N 3.07Å; Y257-D259 VanDerWaalsContact C-N 3.34Å; Y257-D259 PolarHBondContact O-N 2.89Å; D259-Y261 PolarHBondContact O-N 3.49Å; D259-S262 PolarHBondContact O-N 2.85Å
260	K	98.5	Very high	97.1	Very high	107 Å²	107	61.4 Å²	61.4	47%	0.465	31%	0.305	S	S	.	.	H	α-helix	trans	-53.8	-39.2	178.7	174.3	176.4	175.5	177.6	0	112.8	L5 D256 Y257 D308	L5-K260 VanDerWaalsContact CD1-O 3.25Å; L5-K260 WeakPolarHBondContact CD1-O 3.19Å; D256-K260 WeakPolarHBondContact O-CB 3.44Å; D256-K260 PolarHBondContact O-N 3.13Å; Y257-K260 PolarHBondContact O-N 2.98Å; K260-D308 IonicContact NZ-OD1 3.02Å; K260-D308 IonicContact NZ-OD2 2.93Å; K260-D308 PolarHBondContact NZ-OD2 2.91Å
261	Y	98.4	Very high	96.9	Very high	12 Å²	12	68.4 Å²	68.4	5%	0.047	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	5.3	-179.2	-67.2	-76.5	0	0	0	113.5	P4 L5 Y206 Y257 I258 D259 I263 D308 H309 Q310	P4-Y261 CarbonylContact C-O 3.6Å; P4-Y261 WeakPolarHBondContact CA-O 3.18Å; L5-Y261 PolarHBondContact N-O 3.12Å; Y206-Y261 HydrophobicContact CE2-CD1 4.21Å; Y206-Y261 HydrophobicContact CE2-CG 4.31Å; Y206-Y261 AromaticContact CZ-CD1 3.91Å; Y257-Y261 AromaticContact CD2-CD2 3.47Å; Y257-Y261 HydrophobicContact CD2-CD2 3.47Å; Y257-Y261 VanDerWaalsContact CD2-CD2 3.47Å; Y257-Y261 AromaticContact CD2-CE2 3.5Å; Y257-Y261 HydrophobicContact CD2-CE2 3.5Å; Y257-Y261 VanDerWaalsContact CD2-CE2 3.5Å; Y257-Y261 AromaticContact CE2-CD2 3.3Å; Y257-Y261 HydrophobicContact CE2-CD2 3.3Å; Y257-Y261 AromaticContact CE2-CE2 3.34Å; Y257-Y261 HydrophobicContact CE2-CE2 3.34Å; Y257-Y261 HydrophobicContact CE2-CG 4.4Å; Y257-Y261 HydrophobicContact CG-CD2 4.45Å; Y257-Y261 WeakPolarHBondContact O-CD2 3.21Å; Y257-Y261 PolarHBondContact O-N 2.88Å; I258-Y261 PolarHBondContact O-N 3.5Å; D259-Y261 PolarHBondContact O-N 3.49Å; Y261-I263 VanDerWaalsContact C-N 3.25Å; Y261-I263 PolarHBondContact O-N 3.34Å; Y261-D308 WeakPolarHBondContact CE2-OD1 3.1Å; Y261-D308 PolarHBondContact OH-OD1 3.4Å; Y261-H309 AromaticContact CE1-CE1 3.86Å; Y261-H309 AromaticContact CE2-CE1 3.85Å; Y261-H309 AromaticContact CZ-CE1 3.52Å; Y261-Q310 WeakPolarHBondContact OH-CG 3.45Å
262	S	97.9	Very high	96.8	Very high	51 Å²	51	71.3 Å²	71.3	36%	0.357	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.6	46.8	-176.2	-57.4	0	0	0	0	112.2	I258 D259	I258-S262 WeakPolarHBondContact O-CA 3.43Å; I258-S262 PolarHBondContact O-N 3.2Å; D259-S262 PolarHBondContact O-N 2.85Å
263	I	97.8	Very high	96.7	Very high	14 Å²	14	66 Å²	66	7%	0.072	33%	0.332	C	S	.	.			trans	-78.7	127.1	-177.3	-62	170.3	0	0	0	109.2	V204 Y206 Y257 I258 Y261 L265	V204-I263 HydrophobicContact CB-CG2 4.1Å; V204-I263 HydrophobicContact CG2-CD1 3.87Å; V204-I263 HydrophobicContact CG2-CG2 3.97Å; V204-I263 WeakPolarHBondContact O-CG2 3.4Å; Y206-I263 HydrophobicContact CD2-CD1 3.94Å; Y206-I263 HydrophobicContact CD2-CG1 3.84Å; Y206-I263 HydrophobicContact CG-CD1 4.13Å; Y206-I263 HydrophobicContact CG-CG1 4.48Å; Y257-I263 HydrophobicContact CD1-CD1 4.27Å; Y257-I263 HydrophobicContact CE1-CD1 3.61Å; I258-I263 HydrophobicContact CG2-CB 4.21Å; I258-I263 WeakPolarHBondContact CG2-O 3.31Å; I258-I263 PolarHBondContact O-N 2.94Å; Y261-I263 VanDerWaalsContact C-N 3.25Å; Y261-I263 PolarHBondContact O-N 3.34Å; I263-L265 PolarHBondContact O-N 3.18Å
264	E	96.5	Very high	96.5	Very high	164 Å²	164	65.3 Å²	65.3	77%	0.766	34%	0.339	S	S	*	.			trans	-78.1	101.4	171.2	-171	176	175.3	0	0	109.5
265	L	95.2	Very high	96.5	Very high	29 Å²	29	74.7 Å²	74.7	15%	0.152	38%	0.375	C	S	.	.			trans	-75	131.8	179.9	-166.5	69.9	0	0	0	110.7	V204 I258 I263 F269 L273	V204-L265 HydrophobicContact CB-CD1 4.06Å; V204-L265 HydrophobicContact CG1-CD1 3.72Å; I258-L265 HydrophobicContact CD1-CD1 3.99Å; I258-L265 HydrophobicContact CD1-CD2 3.96Å; I258-L265 HydrophobicContact CD1-CG 4.39Å; I263-L265 PolarHBondContact O-N 3.18Å; L265-F269 HydrophobicContact CD1-CB 4.36Å; L265-F269 HydrophobicContact CD1-CD2 3.59Å; L265-F269 HydrophobicContact CD1-CE2 4.11Å; L265-F269 HydrophobicContact CD1-CG 4.11Å; L265-F269 HydrophobicContact CD2-CB 3.59Å; L265-F269 HydrophobicContact CD2-CD2 4.39Å; L265-F269 HydrophobicContact CD2-CG 4.24Å; L265-F269 HydrophobicContact CG-CB 3.83Å; L265-F269 HydrophobicContact CG-CD2 3.74Å; L265-F269 HydrophobicContact CG-CG 4.09Å; L265-L273 HydrophobicContact CD2-CD1 3.86Å
266	E	94.5	Very high	96.4	Very high	90 Å²	90	72.9 Å²	72.9	42%	0.421	37%	0.369	S	S	.	.			trans	-58.9	133.7	179.3	-168.5	-179.6	158.4	0	0	111.2	Y239 R268 F269	Y239-E266 WeakPolarHBondContact CE1-OE2 3.48Å; Y239-E266 VanDerWaalsContact CZ-OE2 3.25Å; Y239-E266 PolarHBondContact OH-OE1 3.14Å; Y239-E266 PolarHBondContact OH-OE2 3.43Å; E266-R268 HydrophobicContact CG-CB 4.49Å; E266-R268 PolarHBondContact O-N 2.93Å; E266-F269 HydrophobicContact CB-CD2 3.98Å; E266-F269 HydrophobicContact CB-CE2 4.22Å; E266-F269 WeakPolarHBondContact O-CB 3.45Å; E266-F269 WeakPolarHBondContact O-CD2 3.47Å; E266-F269 PolarHBondContact O-N 2.79Å
267	P	94.6	Very high	96.4	Very high	94 Å²	94	71.5 Å²	71.5	61%	0.61	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-54.9	-27.1	-174.3	-29.5	35.1	0	0	0	114.9	F269 N270	P267-F269 PolarHBondContact O-N 3.02Å; P267-F269 VanDerWaalsContact O-N 3.14Å; P267-N270 VanDerWaalsContact O-CB 3.3Å; P267-N270 WeakPolarHBondContact O-CB 3.37Å; P267-N270 PolarHBondContact O-N 3.13Å; P267-N270 VanDerWaalsContact O-N 3.1Å; P267-N270 PolarHBondContact O-ND2 3.48Å
268	R	94.4	Very high	96.4	Very high	116 Å²	116	75.3 Å²	75.3	44%	0.438	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-56.4	-27.2	175.5	-178.3	171.6	173.4	-170.8	-7.5	112.8	D237 Y239 E266 N270	D237-R268 IonicContact OD2-NH2 3.23Å; D237-R268 PolarHBondContact OD2-NH2 3.48Å; Y239-R268 HydrophobicContact CD1-CB 4.35Å; Y239-R268 HydrophobicContact CD1-CG 4.06Å; Y239-R268 HydrophobicContact CE1-CB 4.17Å; Y239-R268 HydrophobicContact CE1-CG 4.24Å; E266-R268 HydrophobicContact CG-CB 4.49Å; E266-R268 PolarHBondContact O-N 2.93Å; R268-N270 VanDerWaalsContact C-N 3.32Å
269	F	95.2	Very high	96.4	Very high	3 Å²	3	77.3 Å²	77.3	1%	0.013	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-72.2	-24.1	179.6	-74.9	-64.4	0	0	0	114	Y239 L242 L265 E266 P267 D271 I272 L273	Y239-F269 HydrophobicContact CD1-CD1 4.34Å; Y239-F269 HydrophobicContact CD1-CD2 4.42Å; Y239-F269 AromaticContact CD1-CE1 3.73Å; Y239-F269 HydrophobicContact CD1-CE1 3.73Å; Y239-F269 AromaticContact CD1-CE2 3.85Å; Y239-F269 HydrophobicContact CD1-CE2 3.85Å; Y239-F269 AromaticContact CD1-CZ 3.47Å; Y239-F269 HydrophobicContact CD1-CZ 3.47Å; Y239-F269 VanDerWaalsContact CD1-CZ 3.47Å; Y239-F269 HydrophobicContact CE1-CE2 4.04Å; Y239-F269 HydrophobicContact CE1-CZ 4.07Å; Y239-F269 HydrophobicContact CG-CE1 4.38Å; Y239-F269 HydrophobicContact CG-CZ 4.32Å; L242-F269 HydrophobicContact CB-CE1 3.88Å; L242-F269 HydrophobicContact CB-CZ 4.39Å; L242-F269 HydrophobicContact CD2-CD1 3.96Å; L242-F269 HydrophobicContact CD2-CE1 3.57Å; L242-F269 HydrophobicContact CD2-CE2 4.38Å; L242-F269 HydrophobicContact CD2-CZ 3.79Å; L242-F269 HydrophobicContact CG-CE1 4.31Å; L265-F269 HydrophobicContact CD1-CB 4.36Å; L265-F269 HydrophobicContact CD1-CD2 3.59Å; L265-F269 HydrophobicContact CD1-CE2 4.11Å; L265-F269 HydrophobicContact CD1-CG 4.11Å; L265-F269 HydrophobicContact CD2-CB 3.59Å; L265-F269 HydrophobicContact CD2-CD2 4.39Å; L265-F269 HydrophobicContact CD2-CG 4.24Å; L265-F269 HydrophobicContact CG-CB 3.83Å; L265-F269 HydrophobicContact CG-CD2 3.74Å; L265-F269 HydrophobicContact CG-CG 4.09Å; E266-F269 HydrophobicContact CB-CD2 3.98Å; E266-F269 HydrophobicContact CB-CE2 4.22Å; E266-F269 WeakPolarHBondContact O-CB 3.45Å; E266-F269 WeakPolarHBondContact O-CD2 3.47Å; E266-F269 PolarHBondContact O-N 2.79Å; P267-F269 PolarHBondContact O-N 3.02Å; P267-F269 VanDerWaalsContact O-N 3.14Å; F269-D271 PolarHBondContact O-N 3.32Å; F269-I272 HydrophobicContact CD1-CD1 3.85Å; F269-I272 HydrophobicContact CD1-CG1 4.14Å; F269-I272 HydrophobicContact CE1-CD1 4.23Å; F269-I272 PolarHBondContact O-N 2.68Å; F269-L273 HydrophobicContact CB-CD1 3.82Å; F269-L273 HydrophobicContact CB-CG 4.09Å; F269-L273 HydrophobicContact CD1-CD1 4.32Å; F269-L273 HydrophobicContact CD1-CD2 4.19Å; F269-L273 HydrophobicContact CD1-CG 4.07Å; F269-L273 HydrophobicContact CG-CD1 4.35Å; F269-L273 PolarHBondContact O-N 3.1Å; F269-L273 VanDerWaalsContact O-N 3.14Å
270	N	90.8	Very high	96.4	Very high	109 Å²	109	80.6 Å²	80.6	58%	0.583	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-36.4	-177.4	-65.1	-15.3	0	0	0	112.1	P267 R268	P267-N270 VanDerWaalsContact O-CB 3.3Å; P267-N270 WeakPolarHBondContact O-CB 3.37Å; P267-N270 PolarHBondContact O-N 3.13Å; P267-N270 VanDerWaalsContact O-N 3.1Å; P267-N270 PolarHBondContact O-ND2 3.48Å; R268-N270 VanDerWaalsContact C-N 3.32Å
271	D	93.8	Very high	96.4	Very high	150 Å²	150	76.2 Å²	76.2	80%	0.802	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-15.2	-175	-59.7	-38.7	0	0	0	113.8	F269	F269-D271 PolarHBondContact O-N 3.32Å
272	I	96.4	Very high	96.4	Very high	64 Å²	64	80 Å²	80	33%	0.328	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115	-23.8	-168.2	66.9	173.7	0	0	0	114.8	V243 F269	V243-I272 HydrophobicContact CG2-CB 4.08Å; V243-I272 HydrophobicContact CG2-CD1 3.89Å; V243-I272 HydrophobicContact CG2-CG1 3.81Å; V243-I272 WeakPolarHBondContact CG2-O 3.31Å; F269-I272 HydrophobicContact CD1-CD1 3.85Å; F269-I272 HydrophobicContact CD1-CG1 4.14Å; F269-I272 HydrophobicContact CE1-CD1 4.23Å; F269-I272 PolarHBondContact O-N 2.68Å
273	L	96	Very high	96.4	Very high	0 Å²	0	86.5 Å²	86.5	0%	0	41%	0.41	C	S	.	.	S	Bend	trans	-71.5	-34.9	-178.2	-74.5	176.7	0	0	0	112.4	L242 V243 A246 L254 L265 F269 H276	L242-L273 HydrophobicContact CD2-CD2 4.13Å; L242-L273 HydrophobicContact CG-CD2 4.01Å; V243-L273 HydrophobicContact CG2-CD2 4.16Å; A246-L273 HydrophobicContact CB-CD2 4.27Å; L254-L273 HydrophobicContact CD2-CD1 3.98Å; L254-L273 HydrophobicContact CD2-CD2 4.05Å; L265-L273 HydrophobicContact CD2-CD1 3.86Å; F269-L273 HydrophobicContact CB-CD1 3.82Å; F269-L273 HydrophobicContact CB-CG 4.09Å; F269-L273 HydrophobicContact CD1-CD1 4.32Å; F269-L273 HydrophobicContact CD1-CD2 4.19Å; F269-L273 HydrophobicContact CD1-CG 4.07Å; F269-L273 HydrophobicContact CG-CD1 4.35Å; F269-L273 PolarHBondContact O-N 3.1Å; F269-L273 VanDerWaalsContact O-N 3.14Å; L273-H276 PolarHBondContact O-CD2 3.36Å; L273-H276 VanDerWaalsContact O-CD2 3.25Å; L273-H276 PolarHBondContact O-NE2 3.08Å
274	G	95.3	Very high	96.5	Very high	48 Å²	48	87.6 Å²	87.6	50%	0.495	41%	0.414	S	S	.	.			trans	58.1	-153.9	-175.9	0	0	0	0	0	112.8
275	R	97.6	Very high	96.6	Very high	197 Å²	197	82.3 Å²	82.3	74%	0.743	39%	0.393	S	S	*	.			trans	-123.6	126.6	172.5	-170.5	176.4	-178.5	-167	0.8	110.3	E252	E252-R275 IonicContact OE1-CZ 3.06Å; E252-R275 IonicContact OE1-NE 2.98Å; E252-R275 IonicContact OE1-NH2 3.53Å; E252-R275 PolarHBondContact OE1-NH2 3.3Å
276	H	98.3	Very high	96.7	Very high	48 Å²	48	84.8 Å²	84.8	22%	0.222	40%	0.404	C	S	.	.			trans	-136.9	134.7	-177.7	-62.5	-50.4	0	0	0	111.2	A246 K247 G250 T251 L273	A246-H276 WeakPolarHBondContact O-CB 3.43Å; K247-H276 WeakPolarHBondContact CE-NE2 3.39Å; K247-H276 VanDerWaalsContact CG-NE2 3.32Å; K247-H276 WeakPolarHBondContact CG-NE2 3.37Å; G250-H276 CarbonylContact C-O 3.54Å; G250-H276 WeakPolarHBondContact CA-O 3.37Å; T251-H276 HydrophobicContact CG2-CB 4.13Å; T251-H276 PolarHBondContact N-O 3.33Å; T251-H276 PolarHBondContact OG1-N 3.29Å; T251-H276 PolarHBondContact OG1-O 2.97Å; L273-H276 PolarHBondContact O-CD2 3.36Å; L273-H276 VanDerWaalsContact O-CD2 3.25Å; L273-H276 PolarHBondContact O-NE2 3.08Å
277	S	98.3	Very high	96.9	Very high	76 Å²	76	85 Å²	85	53%	0.531	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-78.6	143.3	168.6	58.4	0	0	0	0	111.2	K279	S277-K279 WeakPolarHBondContact O-CD 3.39Å; S277-K279 VanDerWaalsContact O-CE 3.23Å; S277-K279 WeakPolarHBondContact O-CE 3.48Å; S277-K279 PolarHBondContact O-N 3.16Å; S277-K279 PolarHBondContact O-NZ 3.31Å; S277-K279 VanDerWaalsContact O-NZ 3.12Å; S277-K279 PolarHBondContact OG-NZ 3.43Å
278	R	98.6	Very high	97	Very high	86 Å²	86	86.9 Å²	86.9	33%	0.325	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-54.2	130.1	170.2	-173.6	178.9	-177.4	89.7	5.9	110	L249 D253 D302	L249-R278 WeakPolarHBondContact O-CB 3.43Å; L249-R278 WeakPolarHBondContact O-CG 3.46Å; D253-R278 IonicContact OD2-NH1 3.53Å; D253-R278 PolarHBondContact OD2-NH1 3.2Å; R278-D302 IonicContact CZ-OD1 2.71Å; R278-D302 IonicContact NH2-OD1 3.52Å; R278-D302 PolarHBondContact NH2-OD1 3.45Å; R278-D302 IonicContact NH2-OD2 3.28Å
279	K	98.6	Very high	97.2	Very high	53 Å²	53	81.4 Å²	81.4	23%	0.23	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-92.7	136.3	-179.1	-54.4	-53.7	175.4	-154	0	109.7	K247 V248 S277	K247-K279 WeakPolarHBondContact O-CE 3.37Å; K247-K279 WeakPolarHBondContact O-CG 3.42Å; V248-K279 PolarHBondContact O-N 3.37Å; S277-K279 WeakPolarHBondContact O-CD 3.39Å; S277-K279 VanDerWaalsContact O-CE 3.23Å; S277-K279 WeakPolarHBondContact O-CE 3.48Å; S277-K279 PolarHBondContact O-N 3.16Å; S277-K279 PolarHBondContact O-NZ 3.31Å; S277-K279 VanDerWaalsContact O-NZ 3.12Å; S277-K279 PolarHBondContact OG-NZ 3.43Å
280	R	98.4	Very high	97.3	Very high	182 Å²	182	87 Å²	87	69%	0.687	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-62.6	134.8	164	-79.4	-170.4	67.5	-178.3	6.1	110.3	E282 R283	R280-E282 VanDerWaalsContact CB-OE2 3.3Å; R280-E282 WeakPolarHBondContact CB-OE2 3.45Å; R280-E282 IonicContact CZ-OE1 3.04Å; R280-E282 IonicContact CZ-OE2 3.78Å; R280-E282 IonicContact NE-OE1 3.72Å; R280-E282 IonicContact NE-OE2 3.77Å; R280-E282 PolarHBondContact NE-OE2 3.36Å; R280-E282 IonicContact NH2-OE1 3.48Å; R280-E282 PolarHBondContact NH2-OE1 3.17Å; R280-E282 IonicContact NH2-OE2 2.9Å; R280-E282 PolarHBondContact O-N 2.77Å; R280-R283 VanDerWaalsContact O-CB 3.22Å; R280-R283 WeakPolarHBondContact O-CB 3.31Å; R280-R283 PolarHBondContact O-N 2.97Å; R280-R283 VanDerWaalsContact O-N 3.13Å
281	W	98.7	Very high	97.6	Very high	15 Å²	15	87.1 Å²	87.1	6%	0.057	42%	0.418	C	S	.	.	G	3₁₀ helix	trans	-63.8	-26.9	-177.4	-67.5	117.6	0	0	0	113.1	F227 F232 V248 L249 R283 F284 L298 L301 D302 L305	F227-W281 AromaticContact CE2-CE3 3.95Å; F227-W281 HydrophobicContact CE2-CE3 3.95Å; F227-W281 HydrophobicContact CE2-CZ3 4.44Å; F227-W281 HydrophobicContact CZ-CB 4.24Å; F227-W281 HydrophobicContact CZ-CE3 4.16Å; F232-W281 AromaticContact CE1-CZ3 3.86Å; F232-W281 HydrophobicContact CE1-CZ3 3.86Å; F232-W281 HydrophobicContact CZ-CE3 4.44Å; F232-W281 AromaticContact CZ-CZ3 3.8Å; F232-W281 HydrophobicContact CZ-CZ3 3.8Å; V248-W281 HydrophobicContact CG1-CH2 3.94Å; V248-W281 HydrophobicContact CG1-CZ3 3.73Å; L249-W281 HydrophobicContact CD2-CH2 3.94Å; L249-W281 HydrophobicContact CD2-CZ2 3.95Å; W281-R283 PolarHBondContact O-N 2.92Å; W281-F284 AromaticContact CE3-CD2 3.91Å; W281-F284 HydrophobicContact CE3-CD2 3.91Å; W281-F284 AromaticContact CE3-CE2 3.89Å; W281-F284 HydrophobicContact CE3-CE2 3.89Å; W281-F284 HydrophobicContact CZ3-CD2 4.47Å; W281-F284 HydrophobicContact CZ3-CE2 4.17Å; W281-F284 WeakPolarHBondContact O-CD2 3.41Å; W281-F284 PolarHBondContact O-N 3.42Å; W281-L298 HydrophobicContact CB-CB 4.44Å; W281-L298 HydrophobicContact CB-CD1 4.06Å; W281-L298 HydrophobicContact CB-CD2 3.73Å; W281-L298 HydrophobicContact CB-CG 4.28Å; W281-L298 HydrophobicContact CG-CD2 4.41Å; W281-L301 HydrophobicContact CD2-CD2 4.24Å; W281-L301 HydrophobicContact CE3-CD2 4.04Å; W281-L301 HydrophobicContact CH2-CD2 4.35Å; W281-L301 HydrophobicContact CZ2-CG 4.42Å; W281-L301 HydrophobicContact CZ3-CD2 4.11Å; W281-D302 PolarHBondContact NE1-OD1 3.26Å; W281-L305 HydrophobicContact CH2-CB 4.4Å; W281-L305 HydrophobicContact CH2-CD1 3.68Å; W281-L305 HydrophobicContact CZ2-CB 4.37Å; W281-L305 HydrophobicContact CZ2-CD1 4.31Å; W281-L305 HydrophobicContact CZ3-CD1 4.45Å
282	E	98.1	Very high	97.9	Very high	92 Å²	92	80 Å²	80	43%	0.43	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-58.7	-21.4	176	-59.1	92.4	144.4	0	0	112.6	R280 F284 V285 L298	R280-E282 VanDerWaalsContact CB-OE2 3.3Å; R280-E282 WeakPolarHBondContact CB-OE2 3.45Å; R280-E282 IonicContact CZ-OE1 3.04Å; R280-E282 IonicContact CZ-OE2 3.78Å; R280-E282 IonicContact NE-OE1 3.72Å; R280-E282 IonicContact NE-OE2 3.77Å; R280-E282 PolarHBondContact NE-OE2 3.36Å; R280-E282 IonicContact NH2-OE1 3.48Å; R280-E282 PolarHBondContact NH2-OE1 3.17Å; R280-E282 IonicContact NH2-OE2 2.9Å; R280-E282 PolarHBondContact O-N 2.77Å; E282-F284 PolarHBondContact O-N 2.95Å; E282-V285 PolarHBondContact O-N 2.91Å; E282-V285 VanDerWaalsContact O-N 3.13Å; E282-L298 HydrophobicContact CG-CD1 4.23Å
283	R	98.3	Very high	98	Very high	187 Å²	187	78.3 Å²	78.3	71%	0.706	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-58.9	-26.3	173.1	-177.2	178.9	175.8	109.1	2.8	113	R280 W281	R280-R283 VanDerWaalsContact O-CB 3.22Å; R280-R283 WeakPolarHBondContact O-CB 3.31Å; R280-R283 PolarHBondContact O-N 2.97Å; R280-R283 VanDerWaalsContact O-N 3.13Å; W281-R283 PolarHBondContact O-N 2.92Å
284	F	98.6	Very high	98.1	Very high	37 Å²	37	79.6 Å²	79.6	16%	0.162	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-94.6	0.2	-177.8	-54.3	-75.3	0	0	0	112.9	F227 F232 V248 W281 E282 N289	F227-F284 HydrophobicContact CB-CB 4.45Å; F227-F284 HydrophobicContact CD1-CB 3.62Å; F227-F284 HydrophobicContact CD2-CB 4.14Å; F227-F284 HydrophobicContact CE1-CB 3.78Å; F227-F284 HydrophobicContact CE2-CB 4.26Å; F227-F284 HydrophobicContact CE2-CD2 4.46Å; F227-F284 HydrophobicContact CG-CB 3.82Å; F227-F284 HydrophobicContact CZ-CB 4.1Å; F227-F284 HydrophobicContact CZ-CD2 4.47Å; F232-F284 HydrophobicContact CE2-CD1 4.13Å; F232-F284 HydrophobicContact CE2-CE1 4.45Å; F232-F284 HydrophobicContact CE2-CG 4.16Å; F232-F284 HydrophobicContact CZ-CD1 4.17Å; F232-F284 HydrophobicContact CZ-CD2 4.1Å; F232-F284 HydrophobicContact CZ-CE1 4.12Å; F232-F284 HydrophobicContact CZ-CE2 4.06Å; F232-F284 HydrophobicContact CZ-CG 4.16Å; F232-F284 HydrophobicContact CZ-CZ 4.07Å; V248-F284 HydrophobicContact CB-CZ 4.42Å; V248-F284 HydrophobicContact CG1-CE2 3.87Å; V248-F284 HydrophobicContact CG1-CZ 3.79Å; V248-F284 HydrophobicContact CG2-CZ 3.83Å; W281-F284 AromaticContact CE3-CD2 3.91Å; W281-F284 HydrophobicContact CE3-CD2 3.91Å; W281-F284 AromaticContact CE3-CE2 3.89Å; W281-F284 HydrophobicContact CE3-CE2 3.89Å; W281-F284 HydrophobicContact CZ3-CD2 4.47Å; W281-F284 HydrophobicContact CZ3-CE2 4.17Å; W281-F284 WeakPolarHBondContact O-CD2 3.41Å; W281-F284 PolarHBondContact O-N 3.42Å; E282-F284 PolarHBondContact O-N 2.95Å; F284-N289 PolarHBondContact O-ND2 3.33Å
285	V	98.6	Very high	98.2	Very high	52 Å²	52	81.1 Å²	81.1	32%	0.315	39%	0.389	S	S	.	.			trans	-88.4	132.4	-179.2	-174.5	0	0	0	0	110.1	F227 E282 N289 Q290 V293	F227-V285 HydrophobicContact CE1-CG2 4.1Å; E282-V285 PolarHBondContact O-N 2.91Å; E282-V285 VanDerWaalsContact O-N 3.13Å; V285-N289 WeakPolarHBondContact CA-OD1 3.27Å; V285-Q290 HydrophobicContact CG1-CB 3.94Å; V285-V293 HydrophobicContact CG2-CB 4.3Å; V285-V293 HydrophobicContact CG2-CG1 3.81Å; V285-V293 HydrophobicContact CG2-CG2 4.24Å
286	H	98.1	Very high	98.3	Very high	82 Å²	82	75.9 Å²	75.9	38%	0.38	37%	0.373	S	S	.	.			trans	-146.7	175.6	174.7	57.7	93.2	0	0	0	110.7	E288 N289 Q290	H286-E288 IonicContact CE1-OE2 3.58Å; H286-E288 PolarHBondContact O-N 2.94Å; H286-E288 VanDerWaalsContact O-N 3.08Å; H286-N289 PolarHBondContact CD2-ND2 3.46Å; H286-N289 PolarHBondContact N-OD1 2.92Å; H286-N289 PolarHBondContact NE2-ND2 3.33Å; H286-N289 VanDerWaalsContact NE2-ND2 3.11Å; H286-N289 PolarHBondContact O-N 2.67Å; H286-N289 PolarHBondContact O-OD1 2.88Å; H286-N289 VanDerWaalsContact O-OD1 3.06Å; H286-Q290 WeakPolarHBondContact O-CB 3.37Å; H286-Q290 PolarHBondContact O-N 3.19Å
287	S	98.1	Very high	98.3	Very high	93 Å²	93	73.6 Å²	73.6	65%	0.65	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-33.1	-173.4	51.1	0	0	0	0	114.4
288	E	96.7	Very high	98.4	Very high	135 Å²	135	70.9 Å²	70.9	63%	0.631	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-16.9	-177.4	-51.2	-179.6	159.3	0	0	113.8	H286 H291	H286-E288 IonicContact CE1-OE2 3.58Å; H286-E288 PolarHBondContact O-N 2.94Å; H286-E288 VanDerWaalsContact O-N 3.08Å; E288-H291 PolarHBondContact O-CE1 3.05Å; E288-H291 PolarHBondContact O-ND1 3.11Å
289	N	98.1	Very high	98.4	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.1	-12.4	-175.2	75	13.7	0	0	0	114	F227 R228 F284 V285 H286 H291 L292	F227-N289 WeakPolarHBondContact CA-ND2 3.09Å; F227-N289 PolarHBondContact O-ND2 3.05Å; R228-N289 HydrophobicContact CB-CB 4.18Å; R228-N289 HydrophobicContact CG-CB 3.76Å; F284-N289 PolarHBondContact O-ND2 3.33Å; V285-N289 WeakPolarHBondContact CA-OD1 3.27Å; H286-N289 PolarHBondContact CD2-ND2 3.46Å; H286-N289 PolarHBondContact N-OD1 2.92Å; H286-N289 PolarHBondContact NE2-ND2 3.33Å; H286-N289 VanDerWaalsContact NE2-ND2 3.11Å; H286-N289 PolarHBondContact O-N 2.67Å; H286-N289 PolarHBondContact O-OD1 2.88Å; H286-N289 VanDerWaalsContact O-OD1 3.06Å; N289-H291 PolarHBondContact O-N 3.49Å; N289-L292 WeakPolarHBondContact O-CB 3.46Å; N289-L292 PolarHBondContact O-N 3.17Å
290	Q	98.1	Very high	98.4	Very high	122 Å²	122	67.6 Å²	67.6	57%	0.57	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-54	-28.2	-178.1	65.4	179.5	-0.9	0	0	114.2	V285 H286 L292 V293	V285-Q290 HydrophobicContact CG1-CB 3.94Å; H286-Q290 WeakPolarHBondContact O-CB 3.37Å; H286-Q290 PolarHBondContact O-N 3.19Å; Q290-L292 PolarHBondContact O-N 3.37Å; Q290-V293 PolarHBondContact O-N 3.43Å
291	H	98	Very high	98.4	Very high	111 Å²	111	59 Å²	59	51%	0.514	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-72.1	-10.9	178.3	66.2	-87.4	0	0	0	113.8	E288 N289	E288-H291 PolarHBondContact O-CE1 3.05Å; E288-H291 PolarHBondContact O-ND1 3.11Å; N289-H291 PolarHBondContact O-N 3.49Å
292	L	98.4	Very high	98.4	Very high	1 Å²	1	59.8 Å²	59.8	1%	0.005	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-106.5	-5.7	176.8	-53.8	176.8	0	0	0	112.5	D130 I133 I226 R228 N289 Q290	D130-L292 HydrophobicContact CB-CD2 4.34Å; I133-L292 HydrophobicContact CD1-CB 4.36Å; I133-L292 HydrophobicContact CD1-CD1 4Å; I133-L292 HydrophobicContact CD1-CD2 3.96Å; I133-L292 HydrophobicContact CD1-CG 4.34Å; I226-L292 HydrophobicContact CB-CB 4.5Å; R228-L292 HydrophobicContact CG-CD1 4.24Å; N289-L292 WeakPolarHBondContact O-CB 3.46Å; N289-L292 PolarHBondContact O-N 3.17Å; Q290-L292 PolarHBondContact O-N 3.37Å
293	V	98.5	Very high	98.5	Very high	28 Å²	28	58.3 Å²	58.3	17%	0.17	30%	0.299	C	S	.	.			trans	-110.2	120.6	-173.1	-177.9	0	0	0	0	109.2	I226 F227 V285 Q290 L298	I226-V293 HydrophobicContact CB-CG2 4.28Å; I226-V293 WeakPolarHBondContact O-CG2 3.43Å; F227-V293 HydrophobicContact CD1-CG2 4.12Å; F227-V293 HydrophobicContact CE1-CG2 4.07Å; V285-V293 HydrophobicContact CG2-CB 4.3Å; V285-V293 HydrophobicContact CG2-CG1 3.81Å; V285-V293 HydrophobicContact CG2-CG2 4.24Å; Q290-V293 PolarHBondContact O-N 3.43Å; V293-L298 HydrophobicContact CG1-CD1 3.91Å; V293-L298 HydrophobicContact CG1-CD2 3.58Å; V293-L298 HydrophobicContact CG1-CG 3.71Å
294	S	98.6	Very high	98.5	Very high	26 Å²	26	49.4 Å²	49.4	18%	0.182	27%	0.265	C	S	.	.			trans	-125.8	164.3	173.8	55.2	0	0	0	0	110	R134 E296 A297 L298	R134-S294 PolarHBondContact NH2-OG 3.06Å; R134-S294 VanDerWaalsContact NH2-OG 3.14Å; S294-E296 WeakPolarHBondContact CB-OE2 3.18Å; S294-E296 PolarHBondContact O-N 2.75Å; S294-A297 WeakPolarHBondContact O-CB 3.41Å; S294-A297 PolarHBondContact O-N 3.43Å; S294-A297 VanDerWaalsContact O-N 3.1Å; S294-A297 WeakPolarHBondContact OG-CB 3.4Å; S294-A297 PolarHBondContact OG-N 3.09Å; S294-L298 WeakPolarHBondContact O-CG 3.46Å; S294-L298 PolarHBondContact O-N 3.04Å; S294-L298 VanDerWaalsContact O-N 3.08Å
295	A	98.7	Very high	98.5	Very high	80 Å²	80	47.6 Å²	47.6	66%	0.661	26%	0.257	S	S	*	.	H	α-helix	trans	-58	-39.4	175.9	0	0	0	0	0	111.2	A297 L298 D299	A295-A297 VanDerWaalsContact C-N 3.35Å; A295-A297 PolarHBondContact O-N 3.36Å; A295-L298 PolarHBondContact O-N 3.03Å; A295-D299 WeakPolarHBondContact O-CB 3.38Å; A295-D299 PolarHBondContact O-N 3.29Å
296	E	98.8	Very high	98.5	Very high	87 Å²	87	49 Å²	49	41%	0.407	26%	0.257	S	S	.	.	H	α-helix	trans	-65.2	-36.8	176.3	-58.4	88	166.5	0	0	112.3	S294 F300 H321 P322 Y323	S294-E296 WeakPolarHBondContact CB-OE2 3.18Å; S294-E296 PolarHBondContact O-N 2.75Å; E296-F300 VanDerWaalsContact O-CB 3.23Å; E296-F300 WeakPolarHBondContact O-CB 2.98Å; E296-F300 PolarHBondContact O-N 3.2Å; E296-H321 PolarHBondContact O-CE1 2.94Å; E296-P322 HydrophobicContact CG-CB 4.31Å; E296-Y323 HydrophobicContact CB-CD2 4.1Å
297	A	98.8	Very high	98.6	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-65.1	-43.5	176.6	0	0	0	0	0	111.5	I226 S294 A295 L301 Y323	I226-A297 HydrophobicContact CD1-CB 4.31Å; S294-A297 WeakPolarHBondContact O-CB 3.41Å; S294-A297 PolarHBondContact O-N 3.43Å; S294-A297 VanDerWaalsContact O-N 3.1Å; S294-A297 WeakPolarHBondContact OG-CB 3.4Å; S294-A297 PolarHBondContact OG-N 3.09Å; A295-A297 VanDerWaalsContact C-N 3.35Å; A295-A297 PolarHBondContact O-N 3.36Å; A297-L301 VanDerWaalsContact O-CB 3.31Å; A297-L301 WeakPolarHBondContact O-CB 3.11Å; A297-L301 PolarHBondContact O-N 3.39Å; A297-Y323 HydrophobicContact CB-CD2 3.91Å; A297-Y323 HydrophobicContact CB-CE2 3.47Å; A297-Y323 VanDerWaalsContact CB-CE2 3.47Å
298	L	98.9	Very high	98.6	Very high	20 Å²	20	42.3 Å²	42.3	11%	0.105	22%	0.216	C	C	.	.	H	α-helix	trans	-69.5	-42.7	-179.7	-62.6	-172.4	0	0	0	112	I226 F227 W281 E282 V293 S294 A295 L301 D302	I226-L298 HydrophobicContact CD1-CD2 4.24Å; F227-L298 HydrophobicContact CE1-CD2 3.96Å; F227-L298 HydrophobicContact CZ-CD2 3.64Å; W281-L298 HydrophobicContact CB-CB 4.44Å; W281-L298 HydrophobicContact CB-CD1 4.06Å; W281-L298 HydrophobicContact CB-CD2 3.73Å; W281-L298 HydrophobicContact CB-CG 4.28Å; W281-L298 HydrophobicContact CG-CD2 4.41Å; E282-L298 HydrophobicContact CG-CD1 4.23Å; V293-L298 HydrophobicContact CG1-CD1 3.91Å; V293-L298 HydrophobicContact CG1-CD2 3.58Å; V293-L298 HydrophobicContact CG1-CG 3.71Å; S294-L298 WeakPolarHBondContact O-CG 3.46Å; S294-L298 PolarHBondContact O-N 3.04Å; S294-L298 VanDerWaalsContact O-N 3.08Å; A295-L298 PolarHBondContact O-N 3.03Å; L298-L301 PolarHBondContact O-N 2.91Å; L298-D302 WeakPolarHBondContact O-CB 3.39Å; L298-D302 PolarHBondContact O-N 3.06Å
299	D	98.9	Very high	98.7	Very high	70 Å²	70	35.9 Å²	35.9	37%	0.374	19%	0.186	S	C	.	.	H	α-helix	trans	-63	-42.7	175.2	178.1	55.3	0	0	0	111.6	A295 D302 K303 H321	A295-D299 WeakPolarHBondContact O-CB 3.38Å; A295-D299 PolarHBondContact O-N 3.29Å; D299-D302 PolarHBondContact O-N 2.97Å; D299-K303 VanDerWaalsContact CG-NZ 3.29Å; D299-K303 WeakPolarHBondContact O-CG 3.34Å; D299-K303 PolarHBondContact O-N 3.14Å; D299-K303 VanDerWaalsContact OD1-CE 3.31Å; D299-K303 WeakPolarHBondContact OD1-CE 3.43Å; D299-K303 IonicContact OD1-NZ 2.75Å; D299-K303 PolarHBondContact OD1-NZ 2.9Å; D299-K303 IonicContact OD2-NZ 3.93Å; D299-K303 PolarHBondContact OD2-NZ 3.29Å; D299-H321 IonicContact OD2-CE1 3.81Å; D299-H321 PolarHBondContact OD2-CE1 3.01Å; D299-H321 IonicContact OD2-NE2 3.57Å; D299-H321 PolarHBondContact OD2-NE2 3.03Å
300	F	98.9	Very high	98.7	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-61.8	-47.2	174.9	-178.1	-134	0	0	0	111.9	M137 L141 L222 E296 D302 K303 L304 V313 A318 H321 Y323 F324	M137-F300 HydrophobicContact CE-CE1 4.34Å; L141-F300 HydrophobicContact CD1-CZ 4.26Å; L222-F300 HydrophobicContact CD2-CD1 3.4Å; L222-F300 HydrophobicContact CD2-CE1 3.69Å; L222-F300 HydrophobicContact CD2-CG 4.37Å; E296-F300 VanDerWaalsContact O-CB 3.23Å; E296-F300 WeakPolarHBondContact O-CB 2.98Å; E296-F300 PolarHBondContact O-N 3.2Å; F300-D302 VanDerWaalsContact C-N 3.31Å; F300-D302 PolarHBondContact O-N 3.15Å; F300-K303 PolarHBondContact O-N 3.05Å; F300-L304 HydrophobicContact CD1-CD1 4.31Å; F300-L304 HydrophobicContact CD2-CD1 4.5Å; F300-L304 HydrophobicContact CE1-CD1 3.79Å; F300-L304 HydrophobicContact CE2-CD1 3.99Å; F300-L304 HydrophobicContact CE2-CD2 4.32Å; F300-L304 HydrophobicContact CE2-CG 4.09Å; F300-L304 HydrophobicContact CZ-CD1 3.61Å; F300-L304 HydrophobicContact CZ-CD2 4.37Å; F300-L304 HydrophobicContact CZ-CG 4.18Å; F300-L304 PolarHBondContact O-N 3.16Å; F300-V313 HydrophobicContact CE2-CG2 4.36Å; F300-A318 HydrophobicContact CE2-CB 3.54Å; F300-A318 HydrophobicContact CZ-CB 3.87Å; F300-H321 HydrophobicContact CD2-CB 4.04Å; F300-H321 AromaticContact CD2-CG 3.77Å; F300-H321 HydrophobicContact CE2-CB 4.48Å; F300-H321 AromaticContact CG-ND1 4Å; F300-H321 PolarHBondContact N-CE1 3.29Å; F300-Y323 HydrophobicContact CB-CG 4.43Å; F300-Y323 AromaticContact CD1-CD1 3.63Å; F300-Y323 HydrophobicContact CD1-CD1 3.63Å; F300-Y323 HydrophobicContact CD1-CE1 4.2Å; F300-Y323 HydrophobicContact CD1-CG 4.29Å; F300-Y323 HydrophobicContact CE1-CD1 4.22Å; F300-Y323 HydrophobicContact CG-CD1 4.35Å; F300-F324 HydrophobicContact CD1-CE2 4.15Å; F300-F324 HydrophobicContact CD1-CZ 4.15Å; F300-F324 AromaticContact CE1-CE2 3.62Å; F300-F324 HydrophobicContact CE1-CE2 3.62Å; F300-F324 AromaticContact CE1-CZ 3.47Å; F300-F324 HydrophobicContact CE1-CZ 3.47Å; F300-F324 VanDerWaalsContact CE1-CZ 3.47Å; F300-F324 HydrophobicContact CE2-CE2 4.06Å; F300-F324 AromaticContact CZ-CE2 3.57Å; F300-F324 HydrophobicContact CZ-CE2 3.57Å; F300-F324 AromaticContact CZ-CZ 3.79Å; F300-F324 HydrophobicContact CZ-CZ 3.79Å
301	L	98.9	Very high	98.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-61.5	-41.3	179	-180	62.8	0	0	0	111.9	G219 L222 A223 I226 F227 W281 A297 L298 K303 L304 L305	G219-L301 VanDerWaalsContact O-CD1 3.27Å; G219-L301 WeakPolarHBondContact O-CD1 3.49Å; L222-L301 HydrophobicContact CB-CD1 4.24Å; L222-L301 HydrophobicContact CD2-CB 4.06Å; L222-L301 HydrophobicContact CD2-CD1 4.08Å; L222-L301 HydrophobicContact CG-CD1 4.3Å; A223-L301 HydrophobicContact CB-CD1 3.88Å; A223-L301 HydrophobicContact CB-CD2 3.84Å; I226-L301 HydrophobicContact CD1-CD2 4.02Å; F227-L301 HydrophobicContact CE2-CD2 3.57Å; F227-L301 HydrophobicContact CZ-CD2 4.15Å; W281-L301 HydrophobicContact CD2-CD2 4.24Å; W281-L301 HydrophobicContact CE3-CD2 4.04Å; W281-L301 HydrophobicContact CH2-CD2 4.35Å; W281-L301 HydrophobicContact CZ2-CG 4.42Å; W281-L301 HydrophobicContact CZ3-CD2 4.11Å; A297-L301 VanDerWaalsContact O-CB 3.31Å; A297-L301 WeakPolarHBondContact O-CB 3.11Å; A297-L301 PolarHBondContact O-N 3.39Å; L298-L301 PolarHBondContact O-N 2.91Å; L301-K303 VanDerWaalsContact C-N 3.26Å; L301-K303 PolarHBondContact O-N 2.95Å; L301-L304 PolarHBondContact O-N 2.63Å; L301-L304 VanDerWaalsContact O-N 3.12Å; L301-L305 HydrophobicContact CD1-CD1 3.62Å; L301-L305 HydrophobicContact CD1-CG 3.88Å; L301-L305 HydrophobicContact CG-CD1 4.08Å; L301-L305 HydrophobicContact CG-CG 4.49Å; L301-L305 PolarHBondContact O-N 2.91Å
302	D	98.9	Very high	98.8	Very high	33 Å²	33	29 Å²	29	18%	0.176	16%	0.162	C	C	.	.	H	α-helix	trans	-60.2	-37.9	178.6	-166	82.4	0	0	0	112.1	R278 W281 L298 D299 F300 L304 R306	R278-D302 IonicContact CZ-OD1 2.71Å; R278-D302 IonicContact NH2-OD1 3.52Å; R278-D302 PolarHBondContact NH2-OD1 3.45Å; R278-D302 IonicContact NH2-OD2 3.28Å; W281-D302 PolarHBondContact NE1-OD1 3.26Å; L298-D302 WeakPolarHBondContact O-CB 3.39Å; L298-D302 PolarHBondContact O-N 3.06Å; D299-D302 PolarHBondContact O-N 2.97Å; F300-D302 VanDerWaalsContact C-N 3.31Å; F300-D302 PolarHBondContact O-N 3.15Å; D302-L304 VanDerWaalsContact C-N 3.33Å; D302-R306 WeakPolarHBondContact O-CD 3.33Å; D302-R306 PolarHBondContact O-NE 2.87Å; D302-R306 IonicContact OD2-CZ 3.45Å; D302-R306 IonicContact OD2-NE 3.61Å; D302-R306 PolarHBondContact OD2-NE 3.21Å; D302-R306 IonicContact OD2-NH2 3.69Å; D302-R306 PolarHBondContact OD2-NH2 3.28Å
303	K	98.9	Very high	98.8	Very high	60 Å²	60	30 Å²	30	26%	0.261	17%	0.168	S	C	.	.	H	α-helix	trans	-73.1	-20.2	177	-72.4	169.6	-174.7	159.2	0	114	D299 F300 L301 R312 V313 H321	D299-K303 VanDerWaalsContact CG-NZ 3.29Å; D299-K303 WeakPolarHBondContact O-CG 3.34Å; D299-K303 PolarHBondContact O-N 3.14Å; D299-K303 VanDerWaalsContact OD1-CE 3.31Å; D299-K303 WeakPolarHBondContact OD1-CE 3.43Å; D299-K303 IonicContact OD1-NZ 2.75Å; D299-K303 PolarHBondContact OD1-NZ 2.9Å; D299-K303 IonicContact OD2-NZ 3.93Å; D299-K303 PolarHBondContact OD2-NZ 3.29Å; F300-K303 PolarHBondContact O-N 3.05Å; L301-K303 VanDerWaalsContact C-N 3.26Å; L301-K303 PolarHBondContact O-N 2.95Å; K303-R312 WeakPolarHBondContact O-CA 3.02Å; K303-V313 HydrophobicContact CB-CG1 3.79Å; K303-V313 HydrophobicContact CB-CG2 4.25Å; K303-V313 HydrophobicContact CD-CG1 4.29Å; K303-V313 HydrophobicContact CG-CG1 4.4Å; K303-V313 PolarHBondContact O-N 3.07Å; K303-H321 PolarHBondContact NZ-NE2 3.14Å
304	L	98.9	Very high	98.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-86.1	-45.7	173.5	-69.2	170.3	0	0	0	112.1	M215 L222 F300 L301 D302 R306 R312 V313	M215-L304 HydrophobicContact CB-CD2 4.19Å; M215-L304 HydrophobicContact CE-CD2 3.64Å; L222-L304 HydrophobicContact CD2-CD1 4.12Å; F300-L304 HydrophobicContact CD1-CD1 4.31Å; F300-L304 HydrophobicContact CD2-CD1 4.5Å; F300-L304 HydrophobicContact CE1-CD1 3.79Å; F300-L304 HydrophobicContact CE2-CD1 3.99Å; F300-L304 HydrophobicContact CE2-CD2 4.32Å; F300-L304 HydrophobicContact CE2-CG 4.09Å; F300-L304 HydrophobicContact CZ-CD1 3.61Å; F300-L304 HydrophobicContact CZ-CD2 4.37Å; F300-L304 HydrophobicContact CZ-CG 4.18Å; F300-L304 PolarHBondContact O-N 3.16Å; L301-L304 PolarHBondContact O-N 2.63Å; L301-L304 VanDerWaalsContact O-N 3.12Å; D302-L304 VanDerWaalsContact C-N 3.33Å; L304-R306 PolarHBondContact O-N 3.3Å; L304-R306 VanDerWaalsContact O-N 3.1Å; L304-R312 WeakPolarHBondContact O-CD 3.3Å; L304-R312 WeakPolarHBondContact O-CG 3.48Å; L304-V313 HydrophobicContact CD2-CG2 3.58Å; L304-V313 HydrophobicContact CG-CG2 4.13Å
305	L	98.9	Very high	98.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.156	C	C	.	.	S	Bend	trans	-89.4	70.9	-173.3	-65.4	-175.8	0	0	0	111.9	W216 A223 F233 L249 W281 L301	W216-L305 HydrophobicContact CD2-CD2 3.92Å; W216-L305 HydrophobicContact CE3-CD2 3.85Å; W216-L305 HydrophobicContact CH2-CD2 4.16Å; W216-L305 HydrophobicContact CZ2-CD2 4.23Å; W216-L305 HydrophobicContact CZ3-CB 4.23Å; W216-L305 HydrophobicContact CZ3-CD2 3.99Å; A223-L305 HydrophobicContact CB-CD1 4.34Å; F233-L305 HydrophobicContact CE2-CD1 3.96Å; F233-L305 HydrophobicContact CE2-CD2 4.36Å; F233-L305 HydrophobicContact CZ-CD1 4.17Å; L249-L305 WeakPolarHBondContact CD1-O 3.17Å; L249-L305 HydrophobicContact CD2-CB 4.46Å; W281-L305 HydrophobicContact CH2-CB 4.4Å; W281-L305 HydrophobicContact CH2-CD1 3.68Å; W281-L305 HydrophobicContact CZ2-CB 4.37Å; W281-L305 HydrophobicContact CZ2-CD1 4.31Å; W281-L305 HydrophobicContact CZ3-CD1 4.45Å; L301-L305 HydrophobicContact CD1-CD1 3.62Å; L301-L305 HydrophobicContact CD1-CG 3.88Å; L301-L305 HydrophobicContact CG-CD1 4.08Å; L301-L305 HydrophobicContact CG-CG 4.49Å; L301-L305 PolarHBondContact O-N 2.91Å
306	R	98.9	Very high	98.9	Very high	82 Å²	82	29.7 Å²	29.7	31%	0.309	15%	0.145	S	C	.	.			trans	-112.6	142.2	172.2	-57.6	-60.5	-177.5	89.6	-5.6	110.9	W216 D302 L304 A311 R312	W216-R306 WeakPolarHBondContact CZ3-O 3.49Å; D302-R306 WeakPolarHBondContact O-CD 3.33Å; D302-R306 PolarHBondContact O-NE 2.87Å; D302-R306 IonicContact OD2-CZ 3.45Å; D302-R306 IonicContact OD2-NE 3.61Å; D302-R306 PolarHBondContact OD2-NE 3.21Å; D302-R306 IonicContact OD2-NH2 3.69Å; D302-R306 PolarHBondContact OD2-NH2 3.28Å; L304-R306 PolarHBondContact O-N 3.3Å; L304-R306 VanDerWaalsContact O-N 3.1Å; R306-A311 HydrophobicContact CB-CB 4.24Å; R306-A311 HydrophobicContact CG-CB 4.37Å; R306-R312 HydrophobicContact CB-CG 4.02Å; R306-R312 PolarHBondContact O-NE 2.77Å; R306-R312 PolarHBondContact O-NH2 3.3Å
307	Y	98.9	Very high	98.9	Very high	6 Å²	6	29.2 Å²	29.2	2%	0.024	14%	0.142	C	C	.	.	S	Bend	trans	-58.6	-59.7	172.6	-74.5	-67.8	0	0	0	110.7	P200 L242 I245 A246 L249 G250 D253 L254 H309 R312	P200-Y307 HydrophobicContact CB-CD1 3.81Å; P200-Y307 HydrophobicContact CB-CE1 4.43Å; P200-Y307 HydrophobicContact CG-CD1 3.64Å; P200-Y307 HydrophobicContact CG-CE1 4.15Å; L242-Y307 HydrophobicContact CD1-CE1 4.48Å; I245-Y307 HydrophobicContact CG2-CE1 3.61Å; A246-Y307 WeakPolarHBondContact CA-OH 3.45Å; A246-Y307 PolarHBondContact N-OH 2.71Å; L249-Y307 HydrophobicContact CB-CD2 4.26Å; L249-Y307 HydrophobicContact CB-CE2 3.38Å; L249-Y307 HydrophobicContact CD1-CD2 4.37Å; L249-Y307 HydrophobicContact CD1-CE1 4.46Å; L249-Y307 HydrophobicContact CD1-CE2 4.09Å; L249-Y307 HydrophobicContact CG-CE2 4.39Å; G250-Y307 WeakPolarHBondContact O-CE2 3.44Å; G250-Y307 PolarHBondContact O-OH 3.17Å; G250-Y307 VanDerWaalsContact O-OH 3.14Å; D253-Y307 HydrophobicContact CB-CD2 3.69Å; D253-Y307 HydrophobicContact CB-CE2 4Å; L254-Y307 HydrophobicContact CB-CD1 4.34Å; L254-Y307 HydrophobicContact CB-CD2 4.23Å; L254-Y307 HydrophobicContact CB-CE1 3.99Å; L254-Y307 HydrophobicContact CB-CE2 3.86Å; L254-Y307 HydrophobicContact CB-CG 4.45Å; L254-Y307 HydrophobicContact CD1-CD1 3.75Å; L254-Y307 HydrophobicContact CD1-CE1 3.7Å; L254-Y307 HydrophobicContact CD1-CG 4.43Å; L254-Y307 HydrophobicContact CG-CE1 4.27Å; Y307-H309 PolarHBondContact O-N 3.41Å; Y307-H309 VanDerWaalsContact O-N 3.07Å; Y307-R312 PolarHBondContact O-NH2 2.65Å
308	D	98.9	Very high	98.9	Very high	27 Å²	27	29.2 Å²	29.2	14%	0.144	14%	0.143	C	C	.	.	S	Bend	trans	-61.1	110	174.4	-173.9	3.3	0	0	0	110.6	Y257 K260 Y261 Q310 A311	Y257-D308 VanDerWaalsContact CD2-CA 3.45Å; Y257-D308 HydrophobicContact CD2-CB 3.93Å; K260-D308 IonicContact NZ-OD1 3.02Å; K260-D308 IonicContact NZ-OD2 2.93Å; K260-D308 PolarHBondContact NZ-OD2 2.91Å; Y261-D308 WeakPolarHBondContact CE2-OD1 3.1Å; Y261-D308 PolarHBondContact OH-OD1 3.4Å; D308-Q310 PolarHBondContact O-N 2.59Å; D308-Q310 WeakPolarHBondContact OD1-CB 3.46Å; D308-Q310 PolarHBondContact OD1-N 3.2Å; D308-Q310 VanDerWaalsContact OD1-N 3.09Å; D308-A311 HydrophobicContact CB-CB 4.06Å; D308-A311 WeakPolarHBondContact O-CB 3.42Å; D308-A311 PolarHBondContact O-N 3.18Å
309	H	98.9	Very high	98.9	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-61.9	-28.1	-179.6	58.6	-80.4	0	0	0	112	S7 Y206 D210 S212 Y257 Y261 Y307 A311 R312	S7-H309 PolarHBondContact OG-NE2 3.33Å; Y206-H309 AromaticContact CE1-CE1 3.58Å; Y206-H309 AromaticContact CE1-NE2 3.93Å; D210-H309 IonicContact OD2-CD2 3.3Å; S212-H309 VanDerWaalsContact CB-O 3.24Å; S212-H309 WeakPolarHBondContact CB-O 3.49Å; S212-H309 WeakPolarHBondContact OG-CB 3.42Å; S212-H309 PolarHBondContact OG-O 3.1Å; Y257-H309 AromaticContact CE2-ND1 3.68Å; Y261-H309 AromaticContact CE1-CE1 3.86Å; Y261-H309 AromaticContact CE2-CE1 3.85Å; Y261-H309 AromaticContact CZ-CE1 3.52Å; Y307-H309 PolarHBondContact O-N 3.41Å; Y307-H309 VanDerWaalsContact O-N 3.07Å; H309-A311 VanDerWaalsContact C-N 3.29Å; H309-A311 PolarHBondContact O-N 3.09Å; H309-R312 PolarHBondContact O-N 2.49Å
310	Q	98.8	Very high	98.9	Very high	39 Å²	39	30.1 Å²	30.1	18%	0.182	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-68.8	-26.9	173.5	-65	-68.2	-29.6	0	0	113.1	S7 R8 R10 Y261 D308 R312	S7-Q310 PolarHBondContact OG-NE2 3.2Å; R8-Q310 PolarHBondContact O-NE2 3.14Å; R8-Q310 PolarHBondContact O-OE1 2.99Å; R10-Q310 VanDerWaalsContact CD-O 3.26Å; R10-Q310 WeakPolarHBondContact CD-O 3.3Å; R10-Q310 PolarHBondContact NE-O 3.42Å; Y261-Q310 WeakPolarHBondContact OH-CG 3.45Å; D308-Q310 PolarHBondContact O-N 2.59Å; D308-Q310 WeakPolarHBondContact OD1-CB 3.46Å; D308-Q310 PolarHBondContact OD1-N 3.2Å; D308-Q310 VanDerWaalsContact OD1-N 3.09Å; Q310-R312 VanDerWaalsContact C-N 3.33Å
311	A	98.8	Very high	98.9	Very high	47 Å²	47	30.5 Å²	30.5	39%	0.388	15%	0.149	S	C	.	.	G	3₁₀ helix	trans	-84.4	-7.7	-178.3	0	0	0	0	0	113.3	R306 D308 H309	R306-A311 HydrophobicContact CB-CB 4.24Å; R306-A311 HydrophobicContact CG-CB 4.37Å; D308-A311 HydrophobicContact CB-CB 4.06Å; D308-A311 WeakPolarHBondContact O-CB 3.42Å; D308-A311 PolarHBondContact O-N 3.18Å; H309-A311 VanDerWaalsContact C-N 3.29Å; H309-A311 PolarHBondContact O-N 3.09Å
312	R	98.9	Very high	98.8	Very high	3 Å²	3	33.3 Å²	33.3	1%	0.011	17%	0.167	C	C	.	.	S	Bend	trans	-75.7	141.9	177.5	-57.1	-179.8	-164.5	145.7	9.2	109.8	R10 E201 S212 K303 L304 R306 Y307 H309 Q310	R10-R312 PolarHBondContact NH2-O 2.9Å; E201-R312 IonicContact OE1-CZ 3.59Å; E201-R312 IonicContact OE1-NH1 3.89Å; E201-R312 PolarHBondContact OE1-NH1 3.38Å; E201-R312 IonicContact OE1-NH2 3.57Å; E201-R312 IonicContact OE2-CZ 3.8Å; E201-R312 IonicContact OE2-NH1 2.69Å; E201-R312 PolarHBondContact OE2-NH1 2.85Å; E201-R312 IonicContact OE2-NH2 3.89Å; E201-R312 PolarHBondContact OE2-NH2 3.49Å; S212-R312 WeakPolarHBondContact O-CD 3.17Å; S212-R312 PolarHBondContact O-NH1 3.15Å; K303-R312 WeakPolarHBondContact O-CA 3.02Å; L304-R312 WeakPolarHBondContact O-CD 3.3Å; L304-R312 WeakPolarHBondContact O-CG 3.48Å; R306-R312 HydrophobicContact CB-CG 4.02Å; R306-R312 PolarHBondContact O-NE 2.77Å; R306-R312 PolarHBondContact O-NH2 3.3Å; Y307-R312 PolarHBondContact O-NH2 2.65Å; H309-R312 PolarHBondContact O-N 2.49Å; Q310-R312 VanDerWaalsContact C-N 3.33Å
313	V	98.9	Very high	98.8	Very high	21 Å²	21	31.7 Å²	31.7	13%	0.127	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-59.4	143	171	-72.5	0	0	0	0	111.2	M215 F300 K303 L304 E317 A318	M215-V313 WeakPolarHBondContact CG-O 3.04Å; F300-V313 HydrophobicContact CE2-CG2 4.36Å; K303-V313 HydrophobicContact CB-CG1 3.79Å; K303-V313 HydrophobicContact CB-CG2 4.25Å; K303-V313 HydrophobicContact CD-CG1 4.29Å; K303-V313 HydrophobicContact CG-CG1 4.4Å; K303-V313 PolarHBondContact O-N 3.07Å; L304-V313 HydrophobicContact CD2-CG2 3.58Å; L304-V313 HydrophobicContact CG-CG2 4.13Å; V313-E317 WeakPolarHBondContact CA-OE2 3.4Å; V313-E317 HydrophobicContact CB-CB 4.12Å; V313-E317 HydrophobicContact CG1-CB 4.37Å; V313-A318 HydrophobicContact CG2-CB 4.04Å
314	T	98.9	Very high	98.8	Very high	16 Å²	16	28.9 Å²	28.9	10%	0.098	15%	0.146	C	C	.	.	P	Polyproline II helix	trans	-71.3	166.6	169.7	68.4	0	0	0	0	110.7	V11 R316 E317 A318	V11-T314 HydrophobicContact CB-CG2 4.36Å; V11-T314 HydrophobicContact CG1-CG2 3.8Å; V11-T314 HydrophobicContact CG2-CG2 3.61Å; T314-R316 VanDerWaalsContact C-N 3.28Å; T314-R316 PolarHBondContact O-N 2.9Å; T314-E317 PolarHBondContact N-OE2 2.86Å; T314-E317 PolarHBondContact O-N 3.2Å; T314-E317 WeakPolarHBondContact OG1-CB 3.44Å; T314-E317 VanDerWaalsContact OG1-CG 3.27Å; T314-E317 WeakPolarHBondContact OG1-CG 3.39Å; T314-E317 PolarHBondContact OG1-N 2.94Å; T314-E317 VanDerWaalsContact OG1-N 3.09Å; T314-E317 PolarHBondContact OG1-OE2 3.43Å; T314-A318 WeakPolarHBondContact O-CB 3.18Å; T314-A318 PolarHBondContact O-N 3.16Å
315	A	98.9	Very high	98.8	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.008	17%	0.172	C	C	.	.	H	α-helix	trans	-58.4	-40.9	175.3	0	0	0	0	0	112	L141 L144 D145 M215 A318 M319	L141-A315 HydrophobicContact CD2-CB 4.24Å; L144-A315 HydrophobicContact CB-CB 4.14Å; D145-A315 HydrophobicContact CB-CB 3.66Å; M215-A315 HydrophobicContact CE-CB 4.38Å; M215-A315 HydrophobicContact SD-CB 3.94Å; A315-A318 WeakPolarHBondContact O-CB 3.33Å; A315-A318 PolarHBondContact O-N 3.17Å; A315-M319 VanDerWaalsContact O-CG 3.31Å; A315-M319 WeakPolarHBondContact O-CG 3.46Å; A315-M319 PolarHBondContact O-N 3.28Å
316	R	98.8	Very high	98.6	Very high	111 Å²	111	37.2 Å²	37.2	42%	0.419	19%	0.19	S	C	.	.	H	α-helix	trans	-65.4	-50.4	175.3	-177.2	53.3	57.2	171.8	4.1	112.9	D145 T314 A318 M319 D320	D145-R316 IonicContact OD2-CZ 3.3Å; D145-R316 VanDerWaalsContact OD2-CZ 3.25Å; D145-R316 IonicContact OD2-NE 2.81Å; D145-R316 PolarHBondContact OD2-NE 3.31Å; D145-R316 VanDerWaalsContact OD2-NE 3.1Å; D145-R316 IonicContact OD2-NH2 2.9Å; D145-R316 PolarHBondContact OD2-NH2 2.91Å; T314-R316 VanDerWaalsContact C-N 3.28Å; T314-R316 PolarHBondContact O-N 2.9Å; R316-A318 PolarHBondContact O-N 3.23Å; R316-M319 WeakPolarHBondContact O-CB 3.36Å; R316-M319 PolarHBondContact O-N 2.92Å; R316-D320 PolarHBondContact O-N 3.43Å; R316-D320 VanDerWaalsContact O-N 3.14Å
317	E	98.9	Very high	98.5	Very high	76 Å²	76	33.3 Å²	33.3	36%	0.355	18%	0.175	S	C	.	.	H	α-helix	trans	-58.7	-35.2	176.6	-71.3	164.5	176.1	0	0	111.7	R10 V313 T314 D320 H321	R10-E317 IonicContact CZ-OE1 2.75Å; R10-E317 IonicContact CZ-OE2 3.11Å; R10-E317 IonicContact NH1-OE1 2.63Å; R10-E317 PolarHBondContact NH1-OE1 2.97Å; R10-E317 IonicContact NH1-OE2 3.01Å; R10-E317 PolarHBondContact NH1-OE2 3.27Å; R10-E317 IonicContact NH2-OE1 2.92Å; R10-E317 IonicContact NH2-OE2 3.37Å; R10-E317 PolarHBondContact NH2-OE2 3.35Å; V313-E317 WeakPolarHBondContact CA-OE2 3.4Å; V313-E317 HydrophobicContact CB-CB 4.12Å; V313-E317 HydrophobicContact CG1-CB 4.37Å; T314-E317 PolarHBondContact N-OE2 2.86Å; T314-E317 PolarHBondContact O-N 3.2Å; T314-E317 WeakPolarHBondContact OG1-CB 3.44Å; T314-E317 VanDerWaalsContact OG1-CG 3.27Å; T314-E317 WeakPolarHBondContact OG1-CG 3.39Å; T314-E317 PolarHBondContact OG1-N 2.94Å; T314-E317 VanDerWaalsContact OG1-N 3.09Å; T314-E317 PolarHBondContact OG1-OE2 3.43Å; E317-D320 PolarHBondContact O-N 3.28Å; E317-H321 PolarHBondContact O-N 3.32Å
318	A	98.8	Very high	98.4	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.008	19%	0.189	C	C	.	.	H	α-helix	trans	-65.9	-42.5	174.3	0	0	0	0	0	112.2	L141 M215 F300 V313 T314 A315 R316 D320 H321 F324	L141-A318 HydrophobicContact CD1-CB 3.89Å; L141-A318 HydrophobicContact CD2-CB 3.62Å; L141-A318 HydrophobicContact CG-CB 4.44Å; M215-A318 HydrophobicContact CE-CB 3.97Å; F300-A318 HydrophobicContact CE2-CB 3.54Å; F300-A318 HydrophobicContact CZ-CB 3.87Å; V313-A318 HydrophobicContact CG2-CB 4.04Å; T314-A318 WeakPolarHBondContact O-CB 3.18Å; T314-A318 PolarHBondContact O-N 3.16Å; A315-A318 WeakPolarHBondContact O-CB 3.33Å; A315-A318 PolarHBondContact O-N 3.17Å; R316-A318 PolarHBondContact O-N 3.23Å; A318-D320 PolarHBondContact O-N 2.87Å; A318-H321 WeakPolarHBondContact O-CB 3.4Å; A318-H321 PolarHBondContact O-N 3.14Å; A318-H321 VanDerWaalsContact O-N 3.13Å; A318-F324 WeakPolarHBondContact O-CD2 3.48Å; A318-F324 WeakPolarHBondContact O-CE2 3.19Å
319	M	98.8	Very high	98.1	Very high	7 Å²	7	41.6 Å²	41.6	3%	0.034	21%	0.214	C	C	.	.	H	α-helix	trans	-61.5	-32.2	175.6	-70.9	173.9	70.4	0	0	112.4	Y138 L141 K142 D145 A315 R316 H321	Y138-M319 HydrophobicContact CD2-CB 4.37Å; Y138-M319 HydrophobicContact CD2-CG 4.24Å; Y138-M319 HydrophobicContact CE1-CE 4.16Å; Y138-M319 HydrophobicContact CE2-CB 3.7Å; Y138-M319 HydrophobicContact CE2-CE 3.92Å; Y138-M319 HydrophobicContact CE2-CG 3.89Å; Y138-M319 WeakPolarHBondContact OH-CE 3.39Å; L141-M319 HydrophobicContact CB-CG 3.57Å; L141-M319 HydrophobicContact CB-SD 4.18Å; L141-M319 HydrophobicContact CD1-CG 4.07Å; L141-M319 HydrophobicContact CG-CG 4.36Å; K142-M319 HydrophobicContact CG-CE 3.67Å; K142-M319 HydrophobicContact CG-SD 4.47Å; D145-M319 HydrophobicContact CB-SD 4.3Å; A315-M319 VanDerWaalsContact O-CG 3.31Å; A315-M319 WeakPolarHBondContact O-CG 3.46Å; A315-M319 PolarHBondContact O-N 3.28Å; R316-M319 WeakPolarHBondContact O-CB 3.36Å; R316-M319 PolarHBondContact O-N 2.92Å; M319-H321 PolarHBondContact O-N 3.43Å
320	D	98.6	Very high	97.8	Very high	101 Å²	101	45.1 Å²	45.1	54%	0.54	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-0.6	179	-61.5	-28.6	0	0	0	113.1	R316 E317 A318	R316-D320 PolarHBondContact O-N 3.43Å; R316-D320 VanDerWaalsContact O-N 3.14Å; E317-D320 PolarHBondContact O-N 3.28Å; A318-D320 PolarHBondContact O-N 2.87Å
321	H	98.8	Very high	97.3	Very high	9 Å²	9	45.6 Å²	45.6	4%	0.042	23%	0.233	C	C	.	.	S	Bend	trans	-68.9	142.8	-178.8	-163.7	-91.8	0	0	0	112.4	E296 D299 F300 K303 E317 A318 M319 Y323 F324	E296-H321 PolarHBondContact O-CE1 2.94Å; D299-H321 IonicContact OD2-CE1 3.81Å; D299-H321 PolarHBondContact OD2-CE1 3.01Å; D299-H321 IonicContact OD2-NE2 3.57Å; D299-H321 PolarHBondContact OD2-NE2 3.03Å; F300-H321 HydrophobicContact CD2-CB 4.04Å; F300-H321 AromaticContact CD2-CG 3.77Å; F300-H321 HydrophobicContact CE2-CB 4.48Å; F300-H321 AromaticContact CG-ND1 4Å; F300-H321 PolarHBondContact N-CE1 3.29Å; K303-H321 PolarHBondContact NZ-NE2 3.14Å; E317-H321 PolarHBondContact O-N 3.32Å; A318-H321 WeakPolarHBondContact O-CB 3.4Å; A318-H321 PolarHBondContact O-N 3.14Å; A318-H321 VanDerWaalsContact O-N 3.13Å; M319-H321 PolarHBondContact O-N 3.43Å; H321-Y323 WeakPolarHBondContact ND1-CB 3.34Å; H321-Y323 PolarHBondContact ND1-N 3.2Å; H321-Y323 PolarHBondContact O-N 2.98Å; H321-F324 HydrophobicContact CB-CD2 4.23Å; H321-F324 PolarHBondContact O-N 3.28Å
322	P	98.7	Very high	96.8	Very high	58 Å²	58	46.9 Å²	46.9	38%	0.377	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-52.1	-26.4	177.3	-30.9	36.5	0	0	0	115.7	E296 F324 F325	E296-P322 HydrophobicContact CG-CB 4.31Å; P322-F324 PolarHBondContact O-N 3.21Å; P322-F324 VanDerWaalsContact O-N 3.09Å; P322-F325 HydrophobicContact CB-CD2 4.24Å; P322-F325 HydrophobicContact CB-CE2 3.99Å; P322-F325 HydrophobicContact CB-CZ 4.15Å; P322-F325 HydrophobicContact CG-CE1 4.48Å; P322-F325 HydrophobicContact CG-CE2 4.14Å; P322-F325 HydrophobicContact CG-CZ 3.95Å; P322-F325 PolarHBondContact O-N 3.04Å
323	Y	98.8	Very high	96.1	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-54.8	-27.1	175.1	-173.3	-119.8	0	0	0	112.9	R134 L222 E296 A297 F300 H321	R134-Y323 HydrophobicContact CB-CE1 4.36Å; R134-Y323 WeakPolarHBondContact CD-O 3.34Å; R134-Y323 HydrophobicContact CG-CD1 4.11Å; R134-Y323 HydrophobicContact CG-CD2 4.17Å; R134-Y323 HydrophobicContact CG-CE1 3.56Å; R134-Y323 HydrophobicContact CG-CE2 3.59Å; R134-Y323 HydrophobicContact CG-CG 4.39Å; R134-Y323 WeakPolarHBondContact CG-OH 3.31Å; R134-Y323 VanDerWaalsContact NH1-CD2 3.3Å; R134-Y323 PolarHBondContact NH1-O 3.1Å; L222-Y323 HydrophobicContact CD1-CE1 4.22Å; E296-Y323 HydrophobicContact CB-CD2 4.1Å; A297-Y323 HydrophobicContact CB-CD2 3.91Å; A297-Y323 HydrophobicContact CB-CE2 3.47Å; A297-Y323 VanDerWaalsContact CB-CE2 3.47Å; F300-Y323 HydrophobicContact CB-CG 4.43Å; F300-Y323 AromaticContact CD1-CD1 3.63Å; F300-Y323 HydrophobicContact CD1-CD1 3.63Å; F300-Y323 HydrophobicContact CD1-CE1 4.2Å; F300-Y323 HydrophobicContact CD1-CG 4.29Å; F300-Y323 HydrophobicContact CE1-CD1 4.22Å; F300-Y323 HydrophobicContact CG-CD1 4.35Å; H321-Y323 WeakPolarHBondContact ND1-CB 3.34Å; H321-Y323 PolarHBondContact ND1-N 3.2Å; H321-Y323 PolarHBondContact O-N 2.98Å
324	F	98.7	Very high	95.1	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-105.2	2.3	-177.4	-58.1	-68.3	0	0	0	115.1	R134 M137 Y138 L141 F300 A318 H321 P322 S326 I327 V328	R134-F324 HydrophobicContact CB-CD1 4.44Å; R134-F324 WeakPolarHBondContact O-CD1 3.3Å; R134-F324 VanDerWaalsContact O-CE1 3.26Å; R134-F324 WeakPolarHBondContact O-CE1 3.39Å; M137-F324 HydrophobicContact CB-CE1 3.83Å; M137-F324 HydrophobicContact CB-CZ 4.04Å; Y138-F324 HydrophobicContact CD2-CB 3.77Å; Y138-F324 AromaticContact CD2-CD1 3.84Å; Y138-F324 HydrophobicContact CD2-CD1 3.84Å; Y138-F324 HydrophobicContact CD2-CD2 4.26Å; Y138-F324 HydrophobicContact CD2-CE1 4.48Å; Y138-F324 AromaticContact CD2-CG 3.69Å; Y138-F324 HydrophobicContact CD2-CG 3.69Å; Y138-F324 HydrophobicContact CE2-CB 4.15Å; Y138-F324 HydrophobicContact CE2-CG 4.44Å; Y138-F324 HydrophobicContact CG-CD1 4.26Å; L141-F324 HydrophobicContact CD1-CD2 4.41Å; L141-F324 HydrophobicContact CD1-CE1 4.44Å; L141-F324 HydrophobicContact CD1-CE2 3.57Å; L141-F324 HydrophobicContact CD1-CZ 3.57Å; F300-F324 HydrophobicContact CD1-CE2 4.15Å; F300-F324 HydrophobicContact CD1-CZ 4.15Å; F300-F324 AromaticContact CE1-CE2 3.62Å; F300-F324 HydrophobicContact CE1-CE2 3.62Å; F300-F324 AromaticContact CE1-CZ 3.47Å; F300-F324 HydrophobicContact CE1-CZ 3.47Å; F300-F324 VanDerWaalsContact CE1-CZ 3.47Å; F300-F324 HydrophobicContact CE2-CE2 4.06Å; F300-F324 AromaticContact CZ-CE2 3.57Å; F300-F324 HydrophobicContact CZ-CE2 3.57Å; F300-F324 AromaticContact CZ-CZ 3.79Å; F300-F324 HydrophobicContact CZ-CZ 3.79Å; A318-F324 WeakPolarHBondContact O-CD2 3.48Å; A318-F324 WeakPolarHBondContact O-CE2 3.19Å; H321-F324 HydrophobicContact CB-CD2 4.23Å; H321-F324 PolarHBondContact O-N 3.28Å; P322-F324 PolarHBondContact O-N 3.21Å; P322-F324 VanDerWaalsContact O-N 3.09Å; F324-S326 VanDerWaalsContact C-N 3.25Å; F324-S326 PolarHBondContact O-N 3.44Å; F324-I327 WeakPolarHBondContact O-CA 3.47Å; F324-I327 WeakPolarHBondContact O-CB 3.41Å; F324-I327 PolarHBondContact O-N 2.83Å; F324-V328 WeakPolarHBondContact O-CG2 3.36Å; F324-V328 PolarHBondContact O-N 3.1Å
325	F	97.6	Very high	94	Very high	124 Å²	124	57 Å²	57	54%	0.544	30%	0.302	S	S	.	.	H	α-helix	trans	-57	-36.6	-176	-75.6	-1.3	0	0	0	113.7	P322 K329	P322-F325 HydrophobicContact CB-CD2 4.24Å; P322-F325 HydrophobicContact CB-CE2 3.99Å; P322-F325 HydrophobicContact CB-CZ 4.15Å; P322-F325 HydrophobicContact CG-CE1 4.48Å; P322-F325 HydrophobicContact CG-CE2 4.14Å; P322-F325 HydrophobicContact CG-CZ 3.95Å; P322-F325 PolarHBondContact O-N 3.04Å; F325-K329 VanDerWaalsContact O-CB 3.3Å; F325-K329 WeakPolarHBondContact O-CB 3.22Å; F325-K329 PolarHBondContact O-N 3.14Å
326	S	96.1	Very high	92.4	Very high	52 Å²	52	59 Å²	59	36%	0.364	32%	0.324	S	S	.	.	H	α-helix	trans	-63.2	-42.3	174.7	52	0	0	0	0	112.3	F324 E330	F324-S326 VanDerWaalsContact C-N 3.25Å; F324-S326 PolarHBondContact O-N 3.44Å; S326-E330 WeakPolarHBondContact O-CB 3.23Å; S326-E330 PolarHBondContact O-N 2.99Å; S326-E330 VanDerWaalsContact O-N 3.09Å
327	I	96.7	Very high	90.5	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-64.9	-48	178.5	-53.2	-54.1	0	0	0	110.5	Y131 R134 F135 Y138 F324 K329 E330 Q331	Y131-I327 HydrophobicContact CD2-CD1 3.92Å; Y131-I327 HydrophobicContact CE1-CD1 4.18Å; Y131-I327 HydrophobicContact CE2-CD1 3.43Å; Y131-I327 VanDerWaalsContact CE2-CD1 3.43Å; Y131-I327 HydrophobicContact CG-CD1 4.48Å; R134-I327 HydrophobicContact CB-CD1 3.95Å; R134-I327 HydrophobicContact CB-CG1 3.85Å; F135-I327 HydrophobicContact CB-CD1 4Å; F135-I327 HydrophobicContact CD2-CG2 4.39Å; Y138-I327 HydrophobicContact CD1-CG2 3.78Å; Y138-I327 HydrophobicContact CE1-CG2 4.4Å; Y138-I327 HydrophobicContact CG-CG2 3.99Å; F324-I327 WeakPolarHBondContact O-CA 3.47Å; F324-I327 WeakPolarHBondContact O-CB 3.41Å; F324-I327 PolarHBondContact O-N 2.83Å; I327-K329 VanDerWaalsContact C-N 3.34Å; I327-K329 PolarHBondContact O-N 2.95Å; I327-E330 PolarHBondContact O-N 3.06Å; I327-Q331 HydrophobicContact CG2-CG 4.38Å; I327-Q331 WeakPolarHBondContact O-CG 3.33Å; I327-Q331 PolarHBondContact O-N 3.38Å
328	V	95.4	Very high	88.5	Confident	52 Å²	52	58.1 Å²	58.1	32%	0.315	35%	0.347	S	S	.	.	H	α-helix	trans	-61.5	-43.8	179.9	176.9	0	0	0	0	111.1	Y138 F324 E330 S332	Y138-V328 HydrophobicContact CE2-CG2 3.9Å; F324-V328 WeakPolarHBondContact O-CG2 3.36Å; F324-V328 PolarHBondContact O-N 3.1Å; V328-E330 PolarHBondContact O-N 3.08Å; V328-S332 WeakPolarHBondContact O-CB 3.38Å; V328-S332 PolarHBondContact O-N 3.27Å; V328-S332 PolarHBondContact O-OG 3.17Å
329	K	93.6	Very high	86.1	Confident	154 Å²	154	64.8 Å²	64.8	67%	0.67	38%	0.383	S	S	*	.	H	α-helix	trans	-59.9	-46.6	177.7	-176	178.9	179	-178.4	0	111.4	F325 I327 S332 C333	F325-K329 VanDerWaalsContact O-CB 3.3Å; F325-K329 WeakPolarHBondContact O-CB 3.22Å; F325-K329 PolarHBondContact O-N 3.14Å; I327-K329 VanDerWaalsContact C-N 3.34Å; I327-K329 PolarHBondContact O-N 2.95Å; K329-S332 PolarHBondContact O-N 2.98Å; K329-C333 PolarHBondContact O-N 3.01Å; K329-C333 VanDerWaalsContact O-N 3.1Å; K329-C333 PolarHBondContact O-SG 2.88Å
330	E	91.4	Very high	83.5	Confident	75 Å²	75	70.9 Å²	70.9	35%	0.35	42%	0.415	S	S	.	.	H	α-helix	trans	-69.1	-44.3	-178.2	-172.7	172.5	171.1	0	0	112.8	Y131 S326 I327 V328 S332 C333 M334	Y131-E330 VanDerWaalsContact CE2-OE2 3.31Å; Y131-E330 WeakPolarHBondContact CE2-OE2 3.4Å; Y131-E330 PolarHBondContact OH-OE2 3Å; S326-E330 WeakPolarHBondContact O-CB 3.23Å; S326-E330 PolarHBondContact O-N 2.99Å; S326-E330 VanDerWaalsContact O-N 3.09Å; I327-E330 PolarHBondContact O-N 3.06Å; V328-E330 PolarHBondContact O-N 3.08Å; E330-S332 PolarHBondContact O-N 3.06Å; E330-C333 PolarHBondContact O-N 3.11Å; E330-C333 VanDerWaalsContact O-N 3.14Å; E330-M334 HydrophobicContact CG-CE 3.88Å; E330-M334 WeakPolarHBondContact O-CG 3.42Å; E330-M334 PolarHBondContact O-N 3.05Å; E330-M334 VanDerWaalsContact OE1-CE 3.29Å; E330-M334 WeakPolarHBondContact OE1-CE 3.32Å
331	Q	90.2	Very high	80.9	Confident	50 Å²	50	71.8 Å²	71.8	23%	0.234	43%	0.427	C	S	.	.	H	α-helix	trans	-60.2	-36.4	176	-70.5	-171.8	3.6	0	0	111.6	E139 I327 M334 A335	E139-Q331 PolarHBondContact OE1-NE2 3.19Å; I327-Q331 HydrophobicContact CG2-CG 4.38Å; I327-Q331 WeakPolarHBondContact O-CG 3.33Å; I327-Q331 PolarHBondContact O-N 3.38Å; Q331-M334 PolarHBondContact O-N 3.13Å; Q331-A335 WeakPolarHBondContact O-CB 3.49Å; Q331-A335 PolarHBondContact O-N 3.12Å
332	S	87.1	Confident	78.2	Confident	73 Å²	73	75.4 Å²	75.4	51%	0.51	47%	0.466	S	S	.	.	H	α-helix	trans	-66.5	-41.9	175.2	-56.8	0	0	0	0	112.3	V328 K329 E330 A335 G336	V328-S332 WeakPolarHBondContact O-CB 3.38Å; V328-S332 PolarHBondContact O-N 3.27Å; V328-S332 PolarHBondContact O-OG 3.17Å; K329-S332 PolarHBondContact O-N 2.98Å; E330-S332 PolarHBondContact O-N 3.06Å; S332-A335 PolarHBondContact O-N 2.86Å; S332-G336 PolarHBondContact O-N 2.89Å
333	C	84.6	Confident	75	Confident	75 Å²	75	76.2 Å²	76.2	51%	0.507	49%	0.485	S	S	.	.	H	α-helix	trans	-64.1	-40.9	175.9	-69.8	0	0	0	0	112.5	K329 E330 G336 S337	K329-C333 PolarHBondContact O-N 3.01Å; K329-C333 VanDerWaalsContact O-N 3.1Å; K329-C333 PolarHBondContact O-SG 2.88Å; E330-C333 PolarHBondContact O-N 3.11Å; E330-C333 VanDerWaalsContact O-N 3.14Å; C333-G336 PolarHBondContact O-N 3.13Å; C333-S337 PolarHBondContact O-N 3Å; C333-S337 PolarHBondContact O-OG 3.25Å
334	M	78.9	Confident	72.1	Confident	119 Å²	119	83.7 Å²	83.7	59%	0.586	53%	0.525	S	S	*	.	H	α-helix	trans	-66	-42.1	177.3	-70.3	-176.9	177.4	0	0	111.7	E330 Q331 S337 A338	E330-M334 HydrophobicContact CG-CE 3.88Å; E330-M334 WeakPolarHBondContact O-CG 3.42Å; E330-M334 PolarHBondContact O-N 3.05Å; E330-M334 VanDerWaalsContact OE1-CE 3.29Å; E330-M334 WeakPolarHBondContact OE1-CE 3.32Å; Q331-M334 PolarHBondContact O-N 3.13Å; M334-S337 PolarHBondContact O-N 3.29Å; M334-A338 PolarHBondContact O-N 3.06Å; M334-A338 VanDerWaalsContact O-N 3.15Å
335	A	73.9	Confident	69.4	Low	58 Å²	58	89.5 Å²	89.5	48%	0.479	56%	0.563	S	S	.	*	H	α-helix	trans	-65.3	-38.2	176	0	0	0	0	0	112.7	Q331 S332 A338	Q331-A335 WeakPolarHBondContact O-CB 3.49Å; Q331-A335 PolarHBondContact O-N 3.12Å; S332-A335 PolarHBondContact O-N 2.86Å; A335-A338 PolarHBondContact O-N 3.47Å
336	G	65.7	Low	66.3	Low	45 Å²	45	88.5 Å²	88.5	46%	0.464	58%	0.577	S	S	.	*	H	α-helix	trans	-67.4	-33.6	175.6	0	0	0	0	0	113.6	S332 C333	S332-G336 PolarHBondContact O-N 2.89Å; C333-G336 PolarHBondContact O-N 3.13Å
337	S	59	Low	63.4	Low	85 Å²	85	92.5 Å²	92.5	59%	0.594	60%	0.599	S	S	*	*	H	α-helix	trans	-76.1	-28.3	178.4	-56.3	0	0	0	0	112.9	C333 M334 N339	C333-S337 PolarHBondContact O-N 3Å; C333-S337 PolarHBondContact O-OG 3.25Å; M334-S337 PolarHBondContact O-N 3.29Å; S337-N339 PolarHBondContact O-N 3.17Å
338	A	57.6	Low	60.7	Low	82 Å²	82	99 Å²	99	68%	0.678	64%	0.639	S	S	*	*	H	α-helix	trans	-72.6	-14.9	175.4	0	0	0	0	0	113.8	M334 A335	M334-A338 PolarHBondContact O-N 3.06Å; M334-A338 VanDerWaalsContact O-N 3.15Å; A335-A338 PolarHBondContact O-N 3.47Å
339	N	48.7	Very low	57.7	Low	142 Å²	142	101.4 Å²	101.4	76%	0.759	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.6	8.5	-178	-83.1	-12.7	0	0	0	114.6	S337	S337-N339 PolarHBondContact O-N 3.17Å
340	L	43.3	Very low	54.9	Low	135 Å²	135	98.6 Å²	98.6	71%	0.707	67%	0.67	S	S	*	*	S	Bend	trans	-90.2	123.3	171.1	-74.1	164.5	0	0	0	109.9	G342	L340-G342 PolarHBondContact O-N 2.98Å
341	P	43.3	Very low	52	Low	120 Å²	120	100.5 Å²	100.5	78%	0.779	69%	0.692	S	S	*	*			trans	-66.4	129.4	170.2	14	-7.1	0	0	0	108.5	G343	P341-G343 PolarHBondContact O-N 3.23Å
342	G	42.8	Very low	49.2	Very low	85 Å²	85	106.6 Å²	106.6	88%	0.876	72%	0.722	S	S	*	*			trans	-51.8	108.5	-179.8	0	0	0	0	0	112	L340	L340-G342 PolarHBondContact O-N 2.98Å
343	G	32.6	Very low	46.5	Very low	74 Å²	74	108.6 Å²	108.6	76%	0.763	73%	0.731	S	S	*	*			trans	-87.6	123	166.5	0	0	0	0	0	109.6	P341	P341-G343 PolarHBondContact O-N 3.23Å
344	N	36.8	Very low	44	Very low	158 Å²	158	111.7 Å²	111.7	85%	0.845	75%	0.748	S	S	*	*			trans	-47.7	149.9	172.1	-88.2	-22.1	0	0	0	112.7	A346	N344-A346 PolarHBondContact O-N 3.16Å
345	P	41.5	Very low	41.5	Very low	122 Å²	122	109.7 Å²	109.7	79%	0.792	76%	0.758	S	S	*	*			trans	-73.3	115.7	175.8	30.5	-30	0	0	0	109.2
346	A	33.3	Very low	39.5	Very low	103 Å²	103	114.7 Å²	114.7	85%	0.851	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-86.1	126.6	170.8	0	0	0	0	0	110.5	N344	N344-A346 PolarHBondContact O-N 3.16Å
347	V	34.7	Very low	37.8	Very low	136 Å²	136	117.7 Å²	117.7	82%	0.824	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-49.4	146.8	-179.2	-163.2	0	0	0	0	114.1
348	T	41.3	Very low	36.4	Very low	136 Å²	136	118.3 Å²	118.3	83%	0.834	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-57	134.6	167	39.2	0	0	0	0	113.6
349	A	31.4	Very low	35.3	Very low	103 Å²	103	122.3 Å²	122.3	85%	0.851	81%	0.808	S	S	*	*			trans	-157.2	124.3	147.4	0	0	0	0	0	111
350	A	34.1	Very low	34.8	Very low	95 Å²	95	121.5 Å²	121.5	79%	0.785	81%	0.811	S	S	*	*			trans	-81	143.8	167.4	0	0	0	0	0	110.5
351	S	31.6	Very low	34.1	Very low	115 Å²	115	119.3 Å²	119.3	80%	0.804	81%	0.812	S	S	*	*			trans	173.5	116.4	133.1	-78	0	0	0	0	113.4
352	M	31.1	Very low	33.5	Very low	178 Å²	178	118.4 Å²	118.4	88%	0.877	81%	0.809	S	S	*	*				40.9	124.1	128.8	-58.6	-156.7	-170.3	0	0	123.3
353	V	31	Very low	33	Very low	115 Å²	115	121.5 Å²	121.5	70%	0.697	81%	0.81	S	S	*	*				85.6	115.3	120.2	171.1	0	0	0	0	121
354	T	30.7	Very low	33	Very low	140 Å²	140	122.3 Å²	122.3	86%	0.859	81%	0.81	S	S	*	*			trans	62.3	131.8	146.4	57.7	0	0	0	0	122.6
355	G	27.7	Very low	32.9	Very low	77 Å²	77	123.4 Å²	123.4	79%	0.794	82%	0.815	S	S	*	*			trans	176.3	106.3	157.1	0	0	0	0	0	112.3
356	I	31.7	Very low	32.5	Very low	162 Å²	162	120.9 Å²	120.9	83%	0.831	81%	0.811	S	S	*	*			trans	-85	157.5	-178.1	-62.8	167.6	0	0	0	110.4
357	S	29.9	Very low	33	Very low	108 Å²	108	122.1 Å²	122.1	76%	0.755	81%	0.81	S	S	*	*			trans	72	117.2	154.1	46.9	0	0	0	0	119.8
358	A	30.4	Very low	32.9	Very low	99 Å²	99	124.1 Å²	124.1	82%	0.818	82%	0.816	S	S	*	*				163.3	135.1	89.1	0	0	0	0	0	111.1
359	L	33.2	Very low	32.5	Very low	165 Å²	165	123.1 Å²	123.1	86%	0.864	81%	0.814	S	S	*	*			trans	-74.2	162.5	161.6	-77.9	159.5	0	0	0	109.8
360	P	38.2	Very low	32.5	Very low	126 Å²	126	121.2 Å²	121.2	82%	0.818	81%	0.805	S	S	*	*				-138.7	165	90.8	25	-4.3	0	0	0	115.6
361	A	29.4	Very low	32.3	Very low	89 Å²	89	122.4 Å²	122.4	74%	0.736	81%	0.808	S	S	*	*			trans	-47.3	168.6	170.7	0	0	0	0	0	113.7
362	S	30.7	Very low	32.3	Very low	101 Å²	101	122.9 Å²	122.9	71%	0.706	81%	0.806	S	S	*	*			cis	176.5	149	34.7	28.6	0	0	0	0	106.2
363	T	31.7	Very low	32.4	Very low	149 Å²	149	120.1 Å²	120.1	91%	0.914	80%	0.799	S	S	*	*				-179.3	132.4	120.5	27	0	0	0	0	110.7
364	A	32.8	Very low	32.5	Very low	92 Å²	92	122.9 Å²	122.9	76%	0.76	81%	0.809	S	S	*	*			trans	-99.2	152.1	169.6	0	0	0	0	0	109.9
365	L	33.6	Very low	32.5	Very low	180 Å²	180	120.6 Å²	120.6	94%	0.942	80%	0.798	S	S	*	*			trans	176.4	112.8	154	-93.1	154.3	0	0	0	103.8
366	G	33.1	Very low	32.7	Very low	69 Å²	69	120.8 Å²	120.8	71%	0.711	79%	0.792	S	S	*	*				111.5	124	56.8	0	0	0	0	0	107.7
367	P	44.2	Very low	32.8	Very low	129 Å²	129	120.1 Å²	120.1	84%	0.838	79%	0.79	S	S	*	*			trans	-92.4	157.4	-165.5	36.3	-33.4	0	0	0	113
368	L	33.1	Very low	32.9	Very low	178 Å²	178	120 Å²	120	93%	0.932	79%	0.785	S	S	*	*			trans	-117.7	121.4	167.6	-88.1	164.1	0	0	0	111.3
369	S	33.8	Very low	33	Very low	115 Å²	115	122.7 Å²	122.7	80%	0.804	79%	0.786	S	S	*	*			trans	-92.2	161.2	172.7	51.7	0	0	0	0	112.4
370	G	30.1	Very low	33.1	Very low	64 Å²	64	119.3 Å²	119.3	66%	0.66	78%	0.782	S	S	*	*			trans	116.3	106.9	152.1	0	0	0	0	0	113.6
371	S	31	Very low	32.9	Very low	120 Å²	120	122.9 Å²	122.9	84%	0.839	79%	0.79	S	S	*	*				72	138.1	86.7	-61.9	0	0	0	0	111.2
372	T	31.5	Very low	33.1	Very low	125 Å²	125	123.5 Å²	123.5	77%	0.767	79%	0.789	S	S	*	*			cis	-174	149.4	31	-14.7	0	0	0	0	108.4
373	V	33.3	Very low	33.3	Very low	120 Å²	120	124 Å²	124	73%	0.727	79%	0.793	S	S	*	*			trans	24.9	131.9	134.4	179.8	0	0	0	0	119.4
374	L	33.1	Very low	34.2	Very low	173 Å²	173	123.1 Å²	123.1	91%	0.906	79%	0.789	S	S	*	*			trans	-154.8	143.8	131.7	-105.9	165.6	0	0	0	111.9
375	S	29.5	Very low	34.4	Very low	92 Å²	92	123.6 Å²	123.6	64%	0.643	79%	0.793	S	S	*	*			trans	-109.8	161	-168.3	53.2	0	0	0	0	112.8
376	A	33.1	Very low	34.6	Very low	80 Å²	80	119.7 Å²	119.7	66%	0.661	79%	0.787	S	S	*	*			trans	93.3	129.4	137.5	0	0	0	0	0	120.7
377	N	33	Very low	34.9	Very low	148 Å²	148	121.2 Å²	121.2	79%	0.791	79%	0.792	S	S	*	*			trans	71	143	134.2	-74.6	1.8	0	0	0	117.7
378	T	32.8	Very low	34.6	Very low	105 Å²	105	119.7 Å²	119.7	64%	0.644	79%	0.791	S	S	*	*			cis	-177.6	147.2	15.2	18.8	0	0	0	0	105.9
379	N	32	Very low	36	Very low	156 Å²	156	116.9 Å²	116.9	83%	0.834	78%	0.784	S	S	*	*				164	135.7	113.3	-93	-27.4	0	0	0	113.3
380	A	34.8	Very low	36.5	Very low	94 Å²	94	124.2 Å²	124.2	78%	0.777	81%	0.805	S	S	*	*			trans	-79	156.9	172.6	0	0	0	0	0	112
381	M	33.6	Very low	36.8	Very low	201 Å²	201	127.3 Å²	127.3	99%	0.99	81%	0.812	S	S	*	*			trans	-154	143.3	141.7	-112.3	-179.1	174.2	0	0	110.1
382	S	33.9	Very low	37.2	Very low	102 Å²	102	127.6 Å²	127.6	71%	0.713	81%	0.811	S	S	*	*			trans	-118.8	150.2	-160	52.8	0	0	0	0	112.8
383	S	35.5	Very low	37.5	Very low	113 Å²	113	127.8 Å²	127.8	79%	0.79	81%	0.813	S	S	*	*			trans	78.8	161	147.2	-50.4	0	0	0	0	118.8
384	P	50.2	Low	37.7	Very low	130 Å²	130	128.2 Å²	128.2	84%	0.844	82%	0.818	S	S	*	*			cis	-133.7	-179	4.3	32.6	-10	0	0	0	116.5
385	A	38.2	Very low	38	Very low	102 Å²	102	125.4 Å²	125.4	84%	0.843	81%	0.813	S	S	*	*			trans	-80.8	163.4	-177.2	0	0	0	0	0	116.5
386	A	36.7	Very low	38.6	Very low	97 Å²	97	127.7 Å²	127.7	80%	0.802	82%	0.824	S	S	*	*			trans	-158.3	112.6	154.3	0	0	0	0	0	108.1
387	A	38.8	Very low	39	Very low	101 Å²	101	131.1 Å²	131.1	84%	0.835	84%	0.836	S	S	*	*				75.8	111.8	84.6	0	0	0	0	0	114.3
388	A	38.8	Very low	39.4	Very low	98 Å²	98	129.8 Å²	129.8	81%	0.81	84%	0.839	S	S	*	*			trans	-85.1	165.6	169.3	0	0	0	0	0	111.6
389	P	62.8	Low	40	Very low	119 Å²	119	131.8 Å²	131.8	77%	0.773	86%	0.856	S	S	*	*			trans	-142.7	147.5	134.5	34.1	-17.6	0	0	0	116
390	Q	44.5	Very low	40.7	Very low	269 Å²	269	129.6 Å²	129.6	100%	1.257	86%	0.858	S	S	*	*			trans	68.6	0	157.5	-64.2	-168.3	5.4	0	0	120.7

Retrieved 390 of 390 residues in 263.5 ms (Link to these results)

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