A0A093HR42_STRCA Loading...

Alkyl transferase

With NUS1, forms the dehydrodolichyl diphosphate synthase (DDS) complex, an essential component of the dolichol monophosphate (Dol-P) biosynthetic machinery. Adds multiple copies of isopentenyl pyrophosphate (IPP) to farnesyl pyrophosphate (FPP) to produce dehydrodolichyl diphosphate (Dedol-PP), a precursor of dolichol which is utilized as a sugar carrier in protein glycosylation in the endoplasmic reticulum (ER).

AlphaFold DB , UniProt , Accession A0A093HR42, Species STRCA (Struthio camelus australis), Gene n/a, Length 333 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	61.4	Low	81.7	Confident	94 Å²	94	68.4 Å²	68.4	46%	0.463	36%	0.356	S	S	.	.				0	158.5	0	-66.9	-71.5	-88.4	0	0	110.4	R5 D56 R103	M1-R5 VanDerWaalsContact CE-NH2 3.3Å; M1-D56 WeakPolarHBondContact CB-OD1 3.48Å; M1-D56 WeakPolarHBondContact CG-OD2 3.48Å; M1-R103 VanDerWaalsContact N-NH1 3.2Å; M1-R103 WeakPolarHBondContact O-CD 3.32Å; M1-R103 PolarHBondContact O-NE 3.04Å
2	S	78.3	Confident	82.9	Confident	20 Å²	20	72.1 Å²	72.1	14%	0.14	37%	0.374	C	S	.	.			trans	-67.5	157	176.2	175.6	0	0	0	0	112.2	I4 A59 E107	S2-I4 PolarHBondContact OG-N 3.42Å; S2-I4 PolarHBondContact OG-O 3.41Å; S2-I4 VanDerWaalsContact OG-O 3.12Å; S2-A59 WeakPolarHBondContact O-CB 3.33Å; S2-E107 VanDerWaalsContact CA-OE1 3.27Å; S2-E107 WeakPolarHBondContact CA-OE1 3.36Å; S2-E107 WeakPolarHBondContact CA-OE2 3.41Å; S2-E107 VanDerWaalsContact CB-CD 3.47Å; S2-E107 VanDerWaalsContact CB-OE1 3.22Å; S2-E107 WeakPolarHBondContact CB-OE1 3.29Å; S2-E107 WeakPolarHBondContact CB-OE2 3.43Å; S2-E107 PolarHBondContact OG-OE1 2.94Å; S2-E107 PolarHBondContact OG-OE2 3.43Å
3	W	79.8	Confident	84	Confident	13 Å²	13	68.5 Å²	68.5	5%	0.049	36%	0.355	C	S	.	.	S	Bend	trans	-69	-33.4	171.8	-78.2	72.9	0	0	0	112.7	F55 A59 K100 F101 L104 E107 I118 L150 V152	W3-F55 AromaticContact CD1-CZ 3.84Å; W3-F55 HydrophobicContact CD2-CE2 4.12Å; W3-F55 AromaticContact CD2-CZ 3.73Å; W3-F55 HydrophobicContact CD2-CZ 3.73Å; W3-F55 AromaticContact CE2-CE2 3.71Å; W3-F55 AromaticContact CE2-CZ 3.51Å; W3-F55 HydrophobicContact CE3-CE2 4.46Å; W3-F55 HydrophobicContact CE3-CZ 4.39Å; W3-F55 AromaticContact CG-CZ 3.94Å; W3-F55 HydrophobicContact CG-CZ 3.94Å; W3-F55 HydrophobicContact CH2-CE2 4.11Å; W3-F55 AromaticContact CZ2-CE2 3.72Å; W3-F55 HydrophobicContact CZ2-CE2 3.72Å; W3-F55 HydrophobicContact CZ2-CZ 4.03Å; W3-F55 HydrophobicContact CZ3-CE2 4.46Å; W3-F55 AromaticContact NE1-CZ 3.55Å; W3-A59 WeakPolarHBondContact O-CB 3.25Å; W3-K100 HydrophobicContact CZ2-CB 3.98Å; W3-K100 PolarHBondContact NE1-O 3.32Å; W3-F101 HydrophobicContact CH2-CE1 4.19Å; W3-F101 HydrophobicContact CZ2-CD1 4.34Å; W3-F101 HydrophobicContact CZ2-CE1 4.31Å; W3-L104 HydrophobicContact CD2-CD1 3.85Å; W3-L104 HydrophobicContact CD2-CG 4.46Å; W3-L104 HydrophobicContact CE3-CD1 4.19Å; W3-L104 HydrophobicContact CG-CB 4.39Å; W3-L104 HydrophobicContact CG-CD1 4.35Å; W3-L104 HydrophobicContact CG-CG 4.46Å; W3-L104 HydrophobicContact CH2-CD1 4.12Å; W3-L104 HydrophobicContact CZ2-CD1 3.77Å; W3-L104 HydrophobicContact CZ3-CD1 4.32Å; W3-E107 PolarHBondContact N-OE2 3.38Å; W3-I118 HydrophobicContact CE3-CD1 4.45Å; W3-L150 HydrophobicContact CE3-CD2 3.69Å; W3-L150 HydrophobicContact CZ3-CD2 3.56Å; W3-V152 HydrophobicContact CH2-CG2 4.26Å; W3-V152 HydrophobicContact CZ3-CG2 4.08Å
4	I	79	Confident	84.9	Confident	25 Å²	25	72.4 Å²	72.4	13%	0.128	36%	0.362	C	S	.	.	S	Bend	trans	-110.1	113.1	177.1	-59.9	177.3	0	0	0	108.1	S2 L111 H114 V116	S2-I4 PolarHBondContact OG-N 3.42Å; S2-I4 PolarHBondContact OG-O 3.41Å; S2-I4 VanDerWaalsContact OG-O 3.12Å; I4-L111 HydrophobicContact CD1-CD2 3.71Å; I4-L111 HydrophobicContact CG1-CD2 4.14Å; I4-H114 HydrophobicContact CD1-CB 3.92Å; I4-V116 HydrophobicContact CD1-CB 4.25Å; I4-V116 HydrophobicContact CD1-CG2 3.56Å; I4-V116 HydrophobicContact CG1-CG2 4.36Å
5	R	77	Confident	85.7	Confident	59 Å²	59	76.7 Å²	76.7	22%	0.223	38%	0.378	C	S	.	.			trans	-90.9	120.9	167.1	-65.6	-172.7	-176.1	-160.8	2.2	108.3	M1 D56 A59 R63	M1-R5 VanDerWaalsContact CE-NH2 3.3Å; R5-D56 VanDerWaalsContact NH2-CB 3.28Å; R5-D56 VanDerWaalsContact NH2-CG 3.26Å; R5-D56 PolarHBondContact NH2-O 3.23Å; R5-D56 IonicContact NH2-OD1 3.9Å; R5-D56 IonicContact NH2-OD2 2.7Å; R5-D56 PolarHBondContact NH2-OD2 3.23Å; R5-A59 HydrophobicContact CG-CB 4.19Å; R5-R63 WeakPolarHBondContact O-CD 3.36Å; R5-R63 VanDerWaalsContact O-CG 3.22Å; R5-R63 WeakPolarHBondContact O-CG 3.43Å
6	E	75.8	Confident	86.4	Confident	113 Å²	113	74.1 Å²	74.1	53%	0.528	37%	0.37	S	S	.	.			trans	-71.8	149.6	164.7	-63.6	-172.3	167.4	0	0	109.1	R63 K113 H114	E6-R63 PolarHBondContact O-NH1 3.03Å; E6-K113 IonicContact OE1-NZ 3.62Å; E6-K113 PolarHBondContact OE1-NZ 2.72Å; E6-K113 IonicContact OE2-NZ 3.67Å; E6-H114 IonicContact OE1-CE1 2.79Å; E6-H114 PolarHBondContact OE1-CE1 3.41Å; E6-H114 IonicContact OE1-NE2 3.94Å
7	G	78	Confident	86.9	Confident	35 Å²	35	69.9 Å²	69.9	36%	0.361	35%	0.35	S	S	.	.			trans	154.1	130.4	176.1	0	0	0	0	0	112.9	R63 N67	G7-R63 WeakPolarHBondContact O-CD 3.49Å; G7-N67 PolarHBondContact O-ND2 3.21Å; G7-N67 VanDerWaalsContact O-ND2 3.08Å
8	E	86.1	Confident	87.5	Confident	162 Å²	162	71.6 Å²	71.6	76%	0.757	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-75.8	157.4	176.1	-61.4	-168.1	173.3	0	0	111.5
9	L	91.6	Very high	88	Confident	20 Å²	20	72.6 Å²	72.6	11%	0.105	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-67	143.5	168	-62.5	-179.6	0	0	0	109.5	E13 R14 A17 N67 F237	L9-E13 HydrophobicContact CB-CB 3.86Å; L9-E13 HydrophobicContact CD2-CB 4.29Å; L9-E13 HydrophobicContact CG-CB 4.47Å; L9-R14 HydrophobicContact CB-CB 4.16Å; L9-A17 HydrophobicContact CD1-CB 3.85Å; L9-N67 HydrophobicContact CD1-CB 3.93Å; L9-N67 HydrophobicContact CD2-CB 4.03Å; L9-N67 HydrophobicContact CG-CB 3.81Å; L9-F237 HydrophobicContact CD1-CE2 4.18Å; L9-F237 HydrophobicContact CD1-CZ 4.33Å; L9-F237 HydrophobicContact CD2-CD2 4.06Å; L9-F237 HydrophobicContact CD2-CE2 3.73Å; L9-F237 HydrophobicContact CD2-CZ 4.44Å
10	T	95.1	Very high	88.4	Confident	77 Å²	77	69.7 Å²	69.7	47%	0.472	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-61.4	166.7	169.7	66.1	0	0	0	0	110.9	I12 E13 R14	T10-I12 VanDerWaalsContact C-N 3.28Å; T10-I12 PolarHBondContact O-N 3.41Å; T10-E13 WeakPolarHBondContact CG2-OE2 3.38Å; T10-E13 PolarHBondContact N-OE2 2.93Å; T10-E13 PolarHBondContact O-N 3.13Å; T10-E13 WeakPolarHBondContact OG1-CB 3.5Å; T10-E13 WeakPolarHBondContact OG1-CG 3.41Å; T10-E13 PolarHBondContact OG1-N 3.06Å; T10-E13 PolarHBondContact OG1-OE2 3.4Å; T10-E13 VanDerWaalsContact OG1-OE2 3.12Å; T10-R14 VanDerWaalsContact O-CB 3.27Å; T10-R14 WeakPolarHBondContact O-CB 3.44Å; T10-R14 PolarHBondContact O-N 3.11Å
11	I	96.3	Very high	88.8	Confident	134 Å²	134	70.7 Å²	70.7	69%	0.687	36%	0.357	S	S	*	.	H	α-helix	trans	-55.9	-43.5	-179.1	-64.5	170.7	0	0	0	111.6	F15	I11-F15 WeakPolarHBondContact O-CB 3.44Å; I11-F15 PolarHBondContact O-N 3.33Å
12	I	96.8	Very high	90.5	Very high	113 Å²	113	70.7 Å²	70.7	58%	0.579	37%	0.371	S	S	*	.	H	α-helix	trans	-69.8	-46.7	-179.6	-52.2	178.8	0	0	0	110.1	T10 R14 F15 C16 W238	T10-I12 VanDerWaalsContact C-N 3.28Å; T10-I12 PolarHBondContact O-N 3.41Å; I12-R14 VanDerWaalsContact C-N 3.29Å; I12-R14 PolarHBondContact O-N 3.35Å; I12-F15 PolarHBondContact O-N 3.47Å; I12-C16 PolarHBondContact O-N 3.38Å; I12-C16 PolarHBondContact O-SG 3.05Å; I12-C16 VanDerWaalsContact O-SG 3.4Å; I12-W238 HydrophobicContact CB-CH2 4.28Å; I12-W238 HydrophobicContact CG2-CH2 3.68Å; I12-W238 HydrophobicContact CG2-CZ2 4.37Å
13	E	96.8	Very high	91.3	Very high	25 Å²	25	71.1 Å²	71.1	12%	0.117	38%	0.38	C	S	.	.	H	α-helix	trans	-59.2	-41.5	177.1	-68.9	173.3	148.4	0	0	111.5	L9 T10 C16 A17 F237 W238	L9-E13 HydrophobicContact CB-CB 3.86Å; L9-E13 HydrophobicContact CD2-CB 4.29Å; L9-E13 HydrophobicContact CG-CB 4.47Å; T10-E13 WeakPolarHBondContact CG2-OE2 3.38Å; T10-E13 PolarHBondContact N-OE2 2.93Å; T10-E13 PolarHBondContact O-N 3.13Å; T10-E13 WeakPolarHBondContact OG1-CB 3.5Å; T10-E13 WeakPolarHBondContact OG1-CG 3.41Å; T10-E13 PolarHBondContact OG1-N 3.06Å; T10-E13 PolarHBondContact OG1-OE2 3.4Å; T10-E13 VanDerWaalsContact OG1-OE2 3.12Å; E13-C16 PolarHBondContact O-N 3.42Å; E13-A17 WeakPolarHBondContact O-CB 3.22Å; E13-A17 PolarHBondContact O-N 3.27Å; E13-F237 HydrophobicContact CB-CD1 3.93Å; E13-F237 HydrophobicContact CB-CE1 3.6Å; E13-F237 HydrophobicContact CB-CE2 4.43Å; E13-F237 HydrophobicContact CB-CG 4.44Å; E13-F237 HydrophobicContact CB-CZ 3.88Å; E13-F237 HydrophobicContact CG-CB 4.47Å; E13-F237 HydrophobicContact CG-CD1 3.5Å; E13-F237 VanDerWaalsContact CG-CD1 3.5Å; E13-F237 HydrophobicContact CG-CE1 3.73Å; E13-F237 HydrophobicContact CG-CG 3.93Å; E13-F237 HydrophobicContact CG-CZ 4.37Å; E13-F237 WeakPolarHBondContact OE1-CB 3.17Å; E13-W238 HydrophobicContact CG-CH2 3.96Å; E13-W238 HydrophobicContact CG-CZ2 3.96Å
14	R	96.5	Very high	92.2	Very high	123 Å²	123	72.8 Å²	72.8	46%	0.464	39%	0.392	S	S	.	.	H	α-helix	trans	-66.7	-42.4	177.4	-175.9	171.8	63.5	-169.4	-0.1	112.1	L9 T10 I12 A17 N18	L9-R14 HydrophobicContact CB-CB 4.16Å; T10-R14 VanDerWaalsContact O-CB 3.27Å; T10-R14 WeakPolarHBondContact O-CB 3.44Å; T10-R14 PolarHBondContact O-N 3.11Å; I12-R14 VanDerWaalsContact C-N 3.29Å; I12-R14 PolarHBondContact O-N 3.35Å; R14-A17 PolarHBondContact O-N 3.37Å; R14-N18 VanDerWaalsContact O-CG 3.24Å; R14-N18 PolarHBondContact O-N 3.03Å; R14-N18 PolarHBondContact O-ND2 3Å
15	F	97.1	Very high	93.1	Very high	137 Å²	137	73.8 Å²	73.8	60%	0.601	40%	0.396	S	S	*	.	H	α-helix	trans	-59.6	-51.4	174.8	175	-98.7	0	0	0	110.8	I11 I12 A17 N18 V19	I11-F15 WeakPolarHBondContact O-CB 3.44Å; I11-F15 PolarHBondContact O-N 3.33Å; I12-F15 PolarHBondContact O-N 3.47Å; F15-A17 VanDerWaalsContact C-N 3.34Å; F15-A17 PolarHBondContact O-N 2.96Å; F15-N18 PolarHBondContact O-N 3.44Å; F15-V19 HydrophobicContact CE1-CG2 4.27Å; F15-V19 HydrophobicContact CZ-CG2 4.22Å; F15-V19 WeakPolarHBondContact O-CG2 3.36Å; F15-V19 PolarHBondContact O-N 2.67Å; F15-V19 VanDerWaalsContact O-N 3.14Å
16	C	96.6	Very high	94.1	Very high	36 Å²	36	71 Å²	71	24%	0.243	39%	0.386	C	S	.	.	H	α-helix	trans	-61.6	-41.3	177.2	-67.1	0	0	0	0	112.2	I12 E13 N18 V19 I20 W238	I12-C16 PolarHBondContact O-N 3.38Å; I12-C16 PolarHBondContact O-SG 3.05Å; I12-C16 VanDerWaalsContact O-SG 3.4Å; E13-C16 PolarHBondContact O-N 3.42Å; C16-N18 VanDerWaalsContact C-N 3.32Å; C16-N18 PolarHBondContact O-N 2.92Å; C16-V19 PolarHBondContact O-N 3.33Å; C16-I20 WeakPolarHBondContact O-CG1 3.4Å; C16-I20 PolarHBondContact O-N 3.02Å; C16-W238 HydrophobicContact CB-CZ3 4.22Å
17	A	95.8	Very high	95.2	Very high	3 Å²	3	72.8 Å²	72.8	3%	0.025	39%	0.392	C	S	.	.	H	α-helix	trans	-58.1	-43.8	175.5	0	0	0	0	0	111.9	L9 E13 R14 F15 I20 K21 L68 F237	L9-A17 HydrophobicContact CD1-CB 3.85Å; E13-A17 WeakPolarHBondContact O-CB 3.22Å; E13-A17 PolarHBondContact O-N 3.27Å; R14-A17 PolarHBondContact O-N 3.37Å; F15-A17 VanDerWaalsContact C-N 3.34Å; F15-A17 PolarHBondContact O-N 2.96Å; A17-I20 PolarHBondContact O-N 2.96Å; A17-K21 WeakPolarHBondContact O-CB 3.47Å; A17-K21 WeakPolarHBondContact O-CG 3.46Å; A17-K21 PolarHBondContact O-N 3.46Å; A17-L68 HydrophobicContact CB-CD2 3.54Å; A17-F237 HydrophobicContact CB-CZ 4.38Å
18	N	96.7	Very high	96.1	Very high	100 Å²	100	71.3 Å²	71.3	54%	0.535	38%	0.376	S	S	.	.	H	α-helix	trans	-64.8	-39.2	178.4	-71.3	-15.1	0	0	0	112.2	R14 F15 C16 A22	R14-N18 VanDerWaalsContact O-CG 3.24Å; R14-N18 PolarHBondContact O-N 3.03Å; R14-N18 PolarHBondContact O-ND2 3Å; F15-N18 PolarHBondContact O-N 3.44Å; C16-N18 VanDerWaalsContact C-N 3.32Å; C16-N18 PolarHBondContact O-N 2.92Å; N18-A22 PolarHBondContact O-N 2.78Å
19	V	97.3	Very high	96.7	Very high	90 Å²	90	63.6 Å²	63.6	55%	0.545	34%	0.34	S	S	.	.	H	α-helix	trans	-64.4	-48.9	175.3	174.9	0	0	0	0	110.7	F15 C16 K21 A22	F15-V19 HydrophobicContact CE1-CG2 4.27Å; F15-V19 HydrophobicContact CZ-CG2 4.22Å; F15-V19 WeakPolarHBondContact O-CG2 3.36Å; F15-V19 PolarHBondContact O-N 2.67Å; F15-V19 VanDerWaalsContact O-N 3.14Å; C16-V19 PolarHBondContact O-N 3.33Å; V19-K21 VanDerWaalsContact C-N 3.32Å; V19-K21 PolarHBondContact O-N 3.43Å; V19-A22 WeakPolarHBondContact O-CB 3.48Å; V19-A22 PolarHBondContact O-N 2.77Å
20	I	96.1	Very high	97.1	Very high	14 Å²	14	62.6 Å²	62.6	7%	0.072	34%	0.335	C	S	.	.	H	α-helix	trans	-64.2	-38.7	-180	-66.1	169.7	0	0	0	110.7	C16 A17 A22 G23 M25 C241 I244 L245 Q248	C16-I20 WeakPolarHBondContact O-CG1 3.4Å; C16-I20 PolarHBondContact O-N 3.02Å; A17-I20 PolarHBondContact O-N 2.96Å; I20-A22 PolarHBondContact O-N 3.43Å; I20-A22 VanDerWaalsContact O-N 3.15Å; I20-G23 PolarHBondContact O-N 2.77Å; I20-M25 HydrophobicContact CG2-SD 3.79Å; I20-C241 HydrophobicContact CD1-CB 3.75Å; I20-I244 HydrophobicContact CG2-CB 4.39Å; I20-I244 HydrophobicContact CG2-CG2 3.47Å; I20-I244 VanDerWaalsContact CG2-CG2 3.47Å; I20-L245 HydrophobicContact CD1-CG 4.45Å; I20-L245 HydrophobicContact CG1-CD2 4.2Å; I20-Q248 PolarHBondContact O-NE2 2.83Å
21	K	96.8	Very high	97.3	Very high	92 Å²	92	59 Å²	59	40%	0.4	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-14.7	177	-83.2	176	148.9	174.8	0	114.6	A17 V19 G23 M25 N67 L68	A17-K21 WeakPolarHBondContact O-CB 3.47Å; A17-K21 WeakPolarHBondContact O-CG 3.46Å; A17-K21 PolarHBondContact O-N 3.46Å; V19-K21 VanDerWaalsContact C-N 3.32Å; V19-K21 PolarHBondContact O-N 3.43Å; K21-G23 PolarHBondContact O-N 3.32Å; K21-M25 HydrophobicContact CG-CG 4.41Å; K21-M25 HydrophobicContact CG-SD 4.4Å; K21-N67 PolarHBondContact NZ-O 2.92Å; K21-L68 VanDerWaalsContact CE-C 3.48Å; K21-L68 WeakPolarHBondContact CE-O 3.44Å
22	A	97.1	Very high	97.4	Very high	93 Å²	93	53.1 Å²	53.1	77%	0.769	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-20.7	172.7	0	0	0	0	0	112.5	N18 V19 I20	N18-A22 PolarHBondContact O-N 2.78Å; V19-A22 WeakPolarHBondContact O-CB 3.48Å; V19-A22 PolarHBondContact O-N 2.77Å; I20-A22 PolarHBondContact O-N 3.43Å; I20-A22 VanDerWaalsContact O-N 3.15Å
23	G	96.3	Very high	97.4	Very high	30 Å²	30	49 Å²	49	31%	0.309	26%	0.261	S	S	.	.	S	Bend	trans	-93.8	-178	174.2	0	0	0	0	0	113.5	I20 K21 M25	I20-G23 PolarHBondContact O-N 2.77Å; K21-G23 PolarHBondContact O-N 3.32Å; G23-M25 PolarHBondContact O-N 3.48Å
24	P	97.6	Very high	97.4	Very high	47 Å²	47	49.8 Å²	49.8	31%	0.305	27%	0.266	S	S	.	.			trans	-62.9	134.1	172.8	26	-31.3	0	0	0	110.1	F247 Q248 Y251	P24-F247 HydrophobicContact CB-CE1 4.37Å; P24-Q248 HydrophobicContact CG-CG 4.19Å; P24-Q248 WeakPolarHBondContact O-CG 3.3Å; P24-Q248 PolarHBondContact O-NE2 3.09Å; P24-Y251 HydrophobicContact CB-CD1 3.84Å; P24-Y251 HydrophobicContact CB-CD2 3.74Å; P24-Y251 HydrophobicContact CB-CE1 3.89Å; P24-Y251 HydrophobicContact CB-CE2 3.79Å; P24-Y251 HydrophobicContact CB-CG 3.76Å; P24-Y251 HydrophobicContact CG-CD1 3.63Å; P24-Y251 HydrophobicContact CG-CD2 4.04Å; P24-Y251 HydrophobicContact CG-CE1 4.16Å; P24-Y251 HydrophobicContact CG-CG 3.56Å
25	M	98.2	Very high	97.4	Very high	46 Å²	46	44 Å²	44	23%	0.227	24%	0.244	C	C	.	.			trans	-110.4	139	179.3	-73.4	-62.7	-66	0	0	110.6	I20 K21 G23 L68 I70 I244	I20-M25 HydrophobicContact CG2-SD 3.79Å; K21-M25 HydrophobicContact CG-CG 4.41Å; K21-M25 HydrophobicContact CG-SD 4.4Å; G23-M25 PolarHBondContact O-N 3.48Å; M25-L68 HydrophobicContact CE-CB 4.21Å; M25-I70 HydrophobicContact CE-CG1 4.41Å; M25-I244 HydrophobicContact CE-CD1 4.22Å; M25-I244 HydrophobicContact CE-CG2 4.24Å; M25-I244 HydrophobicContact SD-CG2 3.94Å
26	P	98.1	Very high	97.4	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.006	22%	0.221	C	C	.	.			trans	-66.2	135.6	172.4	29	-33.5	0	0	0	109.3	V29 I70 D201 L202 I244 F247	P26-V29 HydrophobicContact CB-CG2 3.93Å; P26-V29 HydrophobicContact CG-CG2 3.88Å; P26-I70 HydrophobicContact CG-CD1 4.24Å; P26-I70 HydrophobicContact CG-CG1 4.46Å; P26-D201 HydrophobicContact CB-CB 3.61Å; P26-L202 HydrophobicContact CB-CB 4.38Å; P26-I244 HydrophobicContact CG-CG1 4.19Å; P26-F247 HydrophobicContact CB-CD1 4.31Å; P26-F247 HydrophobicContact CB-CE1 4.21Å; P26-F247 HydrophobicContact CB-CZ 4.33Å; P26-F247 HydrophobicContact CG-CD1 4.33Å
27	K	97.6	Very high	97.3	Very high	151 Å²	151	41.6 Å²	41.6	66%	0.657	23%	0.228	S	C	*	.	S	Bend	trans	-86.6	-34.4	175.5	-64.2	-179.8	-178.3	176.8	0	111.1	Q71 E72 D201	K27-Q71 PolarHBondContact O-N 3.05Å; K27-E72 PolarHBondContact O-N 3.39Å; K27-E72 VanDerWaalsContact O-N 3.14Å; K27-D201 PolarHBondContact N-OD2 3.41Å
28	H	98.6	Very high	97.3	Very high	3 Å²	3	45.5 Å²	45.5	1%	0.014	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	123	179.8	-178.8	-170.8	0	0	0	110.9	E72 T74 P198 D201	H28-E72 WeakPolarHBondContact CA-O 3.3Å; H28-E72 HydrophobicContact CB-CB 4.14Å; H28-E72 HydrophobicContact CB-CG 4.46Å; H28-E72 PolarHBondContact CD2-O 3.49Å; H28-T74 PolarHBondContact CE1-OG1 3.05Å; H28-T74 VanDerWaalsContact CE1-OG1 3.29Å; H28-T74 WeakPolarHBondContact NE2-CB 3.32Å; H28-T74 PolarHBondContact NE2-OG1 2.68Å; H28-P198 HydrophobicContact CB-CG 4.41Å; H28-P198 PolarHBondContact CE1-O 3.34Å; H28-P198 PolarHBondContact ND1-O 3.4Å; H28-D201 PolarHBondContact N-OD2 2.97Å; H28-D201 PolarHBondContact O-N 3.43Å
29	V	98.8	Very high	97.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	131.1	175.3	-175.3	0	0	0	0	111	P26 F31 I70 E72 V73 T74 L202 I204	P26-V29 HydrophobicContact CB-CG2 3.93Å; P26-V29 HydrophobicContact CG-CG2 3.88Å; V29-F31 HydrophobicContact CB-CE2 4.02Å; V29-F31 HydrophobicContact CB-CZ 4.45Å; V29-F31 HydrophobicContact CG1-CD2 4.13Å; V29-F31 HydrophobicContact CG1-CE1 4.31Å; V29-F31 HydrophobicContact CG1-CE2 3.47Å; V29-F31 VanDerWaalsContact CG1-CE2 3.47Å; V29-F31 HydrophobicContact CG1-CZ 3.58Å; V29-I70 HydrophobicContact CB-CG2 4.46Å; V29-I70 HydrophobicContact CG2-CD1 4.03Å; V29-I70 HydrophobicContact CG2-CG2 3.84Å; V29-E72 PolarHBondContact N-O 2.99Å; V29-V73 CarbonylContact O-C 3.54Å; V29-V73 VanDerWaalsContact O-CA 3.25Å; V29-V73 WeakPolarHBondContact O-CA 3.49Å; V29-T74 PolarHBondContact O-N 3.25Å; V29-L202 CarbonylContact C-O 3.53Å; V29-L202 WeakPolarHBondContact CA-O 3.35Å; V29-L202 HydrophobicContact CG1-CB 4.34Å; V29-L202 HydrophobicContact CG1-CD2 4.23Å; V29-L202 HydrophobicContact CG1-CG 4.18Å; V29-L202 HydrophobicContact CG2-CB 4.3Å; V29-L202 HydrophobicContact CG2-CD2 4.35Å; V29-I204 HydrophobicContact CG1-CD1 3.75Å; V29-I204 HydrophobicContact CG1-CG1 4.29Å
30	A	98.8	Very high	97.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	141.4	175.5	0	0	0	0	0	111.6	T74 P200 L202 L203 I204 F215 L216	A30-T74 CarbonylContact C-O 3.58Å; A30-T74 WeakPolarHBondContact CA-O 3.4Å; A30-P200 HydrophobicContact CB-CB 3.93Å; A30-P200 HydrophobicContact CB-CG 3.91Å; A30-L202 PolarHBondContact N-O 3.48Å; A30-L203 HydrophobicContact CB-CD1 3.52Å; A30-L203 WeakPolarHBondContact O-CA 3.5Å; A30-I204 PolarHBondContact O-N 3.36Å; A30-F215 HydrophobicContact CB-CE1 4.18Å; A30-L216 HydrophobicContact CB-CD1 3.72Å
31	F	98.8	Very high	97.3	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.009	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	126.8	-178.6	-65.1	-92.4	0	0	0	112.7	V29 M33 T61 V73 T74 V75 Y76 I204 W232 Y235 L240	V29-F31 HydrophobicContact CB-CE2 4.02Å; V29-F31 HydrophobicContact CB-CZ 4.45Å; V29-F31 HydrophobicContact CG1-CD2 4.13Å; V29-F31 HydrophobicContact CG1-CE1 4.31Å; V29-F31 HydrophobicContact CG1-CE2 3.47Å; V29-F31 VanDerWaalsContact CG1-CE2 3.47Å; V29-F31 HydrophobicContact CG1-CZ 3.58Å; F31-M33 HydrophobicContact CB-CG 4.15Å; F31-T61 HydrophobicContact CE1-CG2 4Å; F31-T61 HydrophobicContact CE2-CG2 4.18Å; F31-T61 HydrophobicContact CZ-CG2 3.67Å; F31-V73 HydrophobicContact CD2-CG1 3.69Å; F31-V73 HydrophobicContact CE2-CG1 3.75Å; F31-T74 PolarHBondContact N-O 3.3Å; F31-V75 HydrophobicContact CB-CG1 4.19Å; F31-V75 HydrophobicContact CD2-CG1 4.29Å; F31-V75 WeakPolarHBondContact O-CA 3.49Å; F31-Y76 PolarHBondContact O-N 3.27Å; F31-I204 CarbonylContact C-O 3.6Å; F31-I204 WeakPolarHBondContact CA-O 3.33Å; F31-I204 HydrophobicContact CD1-CB 3.85Å; F31-I204 HydrophobicContact CD1-CD1 4.15Å; F31-I204 HydrophobicContact CD1-CG2 4.13Å; F31-I204 HydrophobicContact CE1-CB 4.08Å; F31-I204 HydrophobicContact CE1-CD1 3.48Å; F31-I204 VanDerWaalsContact CE1-CD1 3.48Å; F31-I204 HydrophobicContact CE1-CG1 4.32Å; F31-I204 HydrophobicContact CE1-CG2 4.3Å; F31-I204 HydrophobicContact CZ-CD1 3.91Å; F31-W232 HydrophobicContact CB-CZ3 4.46Å; F31-W232 HydrophobicContact CD1-CH2 4.21Å; F31-W232 AromaticContact CD1-CZ3 3.82Å; F31-W232 HydrophobicContact CD1-CZ3 3.82Å; F31-W232 HydrophobicContact CE1-CZ3 4.43Å; F31-W232 HydrophobicContact CG-CH2 4.42Å; F31-W232 HydrophobicContact CG-CZ3 4.36Å; F31-Y235 HydrophobicContact CE1-CE1 4.12Å; F31-L240 HydrophobicContact CE1-CD1 4.38Å; F31-L240 HydrophobicContact CZ-CD1 3.95Å
32	I	98.6	Very high	97.3	Very high	10 Å²	10	45.1 Å²	45.1	5%	0.051	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	98.5	162.1	-57.4	173.8	0	0	0	107.5	D34 Y76 L203 I204 R205 T206 L212 F215	I32-D34 HydrophobicContact CG2-CB 4.39Å; I32-D34 PolarHBondContact O-N 3.47Å; I32-Y76 HydrophobicContact CG1-CD1 4.48Å; I32-Y76 HydrophobicContact CG2-CD1 4.48Å; I32-L203 HydrophobicContact CD1-CD1 4.45Å; I32-L203 HydrophobicContact CD1-CD2 4.44Å; I32-L203 HydrophobicContact CG1-CD1 4.25Å; I32-I204 PolarHBondContact N-O 3.02Å; I32-R205 HydrophobicContact CB-CB 3.96Å; I32-R205 HydrophobicContact CB-CG 3.92Å; I32-R205 HydrophobicContact CD1-CB 4.22Å; I32-R205 HydrophobicContact CD1-CG 4.44Å; I32-R205 HydrophobicContact CG2-CG 4Å; I32-T206 PolarHBondContact O-N 3.34Å; I32-T206 PolarHBondContact O-OG1 3.16Å; I32-L212 WeakPolarHBondContact CD1-O 3.38Å; I32-F215 HydrophobicContact CD1-CB 4.09Å; I32-F215 HydrophobicContact CD1-CD1 3.81Å; I32-F215 HydrophobicContact CD1-CG 4.34Å; I32-F215 HydrophobicContact CG1-CB 4.31Å; I32-F215 HydrophobicContact CG1-CD1 3.37Å; I32-F215 HydrophobicContact CG1-CE1 3.89Å; I32-F215 HydrophobicContact CG1-CG 4.07Å
33	M	97.5	Very high	97.2	Very high	25 Å²	25	43.1 Å²	43.1	12%	0.123	21%	0.209	C	C	.	.			trans	-79.3	60.4	-172.8	-59.1	-176.1	-62.7	0	0	112.7	F31 N36 L58 V75 A77 W232	F31-M33 HydrophobicContact CB-CG 4.15Å; M33-N36 PolarHBondContact O-ND2 3.13Å; M33-L58 HydrophobicContact CE-CD2 4.47Å; M33-L58 HydrophobicContact SD-CB 4.13Å; M33-L58 HydrophobicContact SD-CD1 3.98Å; M33-L58 HydrophobicContact SD-CD2 4.31Å; M33-L58 HydrophobicContact SD-CG 4.38Å; M33-V75 HydrophobicContact CE-CB 3.81Å; M33-V75 HydrophobicContact CE-CG2 3.98Å; M33-V75 HydrophobicContact SD-CB 3.99Å; M33-V75 HydrophobicContact SD-CG1 4.28Å; M33-A77 HydrophobicContact CE-CB 4.27Å; M33-W232 HydrophobicContact CB-CB 4.45Å; M33-W232 HydrophobicContact CB-CD2 3.61Å; M33-W232 HydrophobicContact CB-CE3 4.14Å; M33-W232 HydrophobicContact CB-CG 3.72Å; M33-W232 HydrophobicContact CB-CZ2 4.29Å; M33-W232 HydrophobicContact CG-CD2 3.7Å; M33-W232 VanDerWaalsContact CG-CE2 3.46Å; M33-W232 HydrophobicContact CG-CE3 3.96Å; M33-W232 HydrophobicContact CG-CG 4.34Å; M33-W232 HydrophobicContact CG-CH2 3.82Å; M33-W232 HydrophobicContact CG-CZ2 3.52Å; M33-W232 HydrophobicContact CG-CZ3 4.03Å; M33-W232 HydrophobicContact SD-CD2 4.38Å; M33-W232 VanDerWaalsContact SD-CE2 3.53Å; M33-W232 HydrophobicContact SD-CH2 4.03Å; M33-W232 HydrophobicContact SD-CZ2 3.32Å; M33-W232 WeakPolarHBondContact SD-CZ2 3.5Å
34	D	96.8	Very high	97.2	Very high	43 Å²	43	50.4 Å²	50.4	23%	0.23	23%	0.234	C	C	.	.			trans	-87.5	153.7	-175.9	-165.3	-2.4	0	0	0	112.2	I32 R38 R205 T206 S207 W232	I32-D34 HydrophobicContact CG2-CB 4.39Å; I32-D34 PolarHBondContact O-N 3.47Å; D34-R38 IonicContact OD1-NH2 2.65Å; D34-R38 PolarHBondContact OD1-NH2 3.4Å; D34-R38 IonicContact OD2-NH2 3.57Å; D34-R38 PolarHBondContact OD2-NH2 2.89Å; D34-R205 IonicContact OD2-CZ 3.64Å; D34-R205 IonicContact OD2-NE 2.69Å; D34-R205 IonicContact OD2-NH2 3.39Å; D34-R205 PolarHBondContact OD2-NH2 3.33Å; D34-T206 PolarHBondContact N-OG1 3.22Å; D34-T206 PolarHBondContact O-OG1 3.5Å; D34-S207 WeakPolarHBondContact CB-OG 3.37Å; D34-S207 PolarHBondContact OD2-OG 3.31Å; D34-W232 WeakPolarHBondContact O-CB 3.43Å; D34-W232 PolarHBondContact O-N 3.03Å
35	G	96.4	Very high	97.1	Very high	1 Å²	1	51 Å²	51	1%	0.01	24%	0.237	C	C	.	.			trans	110.4	-2.4	174.3	0	0	0	0	0	115.7	R37 R38 Y39	G35-R37 PolarHBondContact O-N 3Å; G35-R38 PolarHBondContact O-N 2.65Å; G35-Y39 WeakPolarHBondContact O-CB 3.48Å; G35-Y39 PolarHBondContact O-N 3.09Å
36	N	96.3	Very high	96.8	Very high	22 Å²	22	56.2 Å²	56.2	12%	0.118	26%	0.261	C	S	.	.	H	α-helix	trans	-55.8	-44.2	-176	-61.5	-39.4	0	0	0	113.6	M33 Y39 A40 P233	M33-N36 PolarHBondContact O-ND2 3.13Å; N36-Y39 PolarHBondContact O-N 3.27Å; N36-A40 PolarHBondContact O-N 3.29Å; N36-P233 WeakPolarHBondContact OD1-CD 3.44Å; N36-P233 VanDerWaalsContact OD1-CG 3.26Å; N36-P233 WeakPolarHBondContact OD1-CG 3.39Å
37	R	94.5	Very high	96.5	Very high	101 Å²	101	62 Å²	62	38%	0.381	28%	0.282	S	S	.	.	H	α-helix	trans	-69.3	-40.4	178.8	-62.6	-173.2	-62	179.9	4	112.8	G35 Y39 A40 Q41 E89	G35-R37 PolarHBondContact O-N 3Å; R37-Y39 VanDerWaalsContact C-N 3.3Å; R37-Y39 PolarHBondContact O-N 3.32Å; R37-A40 PolarHBondContact O-N 2.87Å; R37-Q41 WeakPolarHBondContact O-CG 3.48Å; R37-Q41 PolarHBondContact O-N 2.68Å; R37-E89 WeakPolarHBondContact CD-OE1 3.39Å; R37-E89 IonicContact NH1-OE1 2.8Å; R37-E89 PolarHBondContact NH1-OE1 2.94Å; R37-E89 IonicContact NH1-OE2 3.33Å
38	R	96.7	Very high	96.1	Very high	84 Å²	84	58 Å²	58	32%	0.317	27%	0.266	S	S	.	.	H	α-helix	trans	-64	-38.3	175.5	-78.8	176.6	-81.1	-168.9	-9.4	110.9	D34 G35 Q41 K42 S207 E209 L231	D34-R38 IonicContact OD1-NH2 2.65Å; D34-R38 PolarHBondContact OD1-NH2 3.4Å; D34-R38 IonicContact OD2-NH2 3.57Å; D34-R38 PolarHBondContact OD2-NH2 2.89Å; G35-R38 PolarHBondContact O-N 2.65Å; R38-Q41 PolarHBondContact O-N 3.15Å; R38-K42 WeakPolarHBondContact O-CB 3.37Å; R38-K42 PolarHBondContact O-N 3.49Å; R38-S207 PolarHBondContact NH1-O 3.34Å; R38-S207 PolarHBondContact NH2-OG 3.34Å; R38-E209 IonicContact CZ-OE1 3.35Å; R38-E209 IonicContact NH1-OE1 3.92Å; R38-E209 PolarHBondContact NH1-OE1 3.31Å; R38-E209 IonicContact NH2-OE1 2.76Å; R38-E209 PolarHBondContact NH2-OE1 2.85Å; R38-L231 HydrophobicContact CB-CD1 4.15Å; R38-L231 HydrophobicContact CB-CD2 3.98Å
39	Y	97.6	Very high	95.8	Very high	40 Å²	40	62 Å²	62	16%	0.157	29%	0.285	C	S	.	.	H	α-helix	trans	-64.9	-45.6	174	172.3	-96.5	0	0	0	111.5	G35 N36 R37 Q41 K42 C43 Q53 P233 E234	G35-Y39 WeakPolarHBondContact O-CB 3.48Å; G35-Y39 PolarHBondContact O-N 3.09Å; N36-Y39 PolarHBondContact O-N 3.27Å; R37-Y39 VanDerWaalsContact C-N 3.3Å; R37-Y39 PolarHBondContact O-N 3.32Å; Y39-Q41 VanDerWaalsContact C-N 3.3Å; Y39-Q41 PolarHBondContact O-N 3.3Å; Y39-K42 WeakPolarHBondContact O-CB 3.48Å; Y39-K42 PolarHBondContact O-N 2.94Å; Y39-K42 VanDerWaalsContact O-N 3.16Å; Y39-C43 WeakPolarHBondContact CE2-SG 3.46Å; Y39-C43 VanDerWaalsContact CZ-SG 3.58Å; Y39-C43 PolarHBondContact O-N 3.06Å; Y39-Q53 HydrophobicContact CE1-CB 4.13Å; Y39-Q53 HydrophobicContact CE1-CG 4.2Å; Y39-P233 HydrophobicContact CD1-CB 3.55Å; Y39-P233 HydrophobicContact CD1-CG 3.6Å; Y39-P233 HydrophobicContact CD2-CB 3.9Å; Y39-P233 HydrophobicContact CD2-CG 4.35Å; Y39-P233 HydrophobicContact CE1-CB 3.72Å; Y39-P233 HydrophobicContact CE1-CG 4.25Å; Y39-P233 HydrophobicContact CE2-CB 4.05Å; Y39-P233 HydrophobicContact CG-CB 3.63Å; Y39-P233 HydrophobicContact CG-CG 3.65Å; Y39-E234 HydrophobicContact CD2-CG 3.53Å; Y39-E234 HydrophobicContact CE2-CG 3.59Å
40	A	96.3	Very high	95.6	Very high	1 Å²	1	62 Å²	62	1%	0.008	29%	0.285	C	S	.	.	H	α-helix	trans	-56.9	-45.3	176.5	0	0	0	0	0	111.9	N36 R37 C43 H44 V45	N36-A40 PolarHBondContact O-N 3.29Å; R37-A40 PolarHBondContact O-N 2.87Å; A40-C43 PolarHBondContact O-N 2.92Å; A40-H44 PolarHBondContact O-N 2.87Å; A40-H44 VanDerWaalsContact O-N 3.08Å; A40-V45 CarbonylContact C-O 3.56Å; A40-V45 HydrophobicContact CB-CG2 4.01Å; A40-V45 PolarHBondContact O-N 3.12Å
41	Q	96.1	Very high	95.3	Very high	123 Å²	123	63 Å²	63	58%	0.575	29%	0.29	S	S	*	.	H	α-helix	trans	-61.5	-47.2	174.5	-71.8	173.6	-22.3	0	0	112.3	R37 R38 Y39 C43 H44	R37-Q41 WeakPolarHBondContact O-CG 3.48Å; R37-Q41 PolarHBondContact O-N 2.68Å; R38-Q41 PolarHBondContact O-N 3.15Å; Y39-Q41 VanDerWaalsContact C-N 3.3Å; Y39-Q41 PolarHBondContact O-N 3.3Å; Q41-C43 VanDerWaalsContact C-N 3.28Å; Q41-C43 PolarHBondContact O-N 3.38Å; Q41-H44 PolarHBondContact O-N 3.03Å
42	K	96.6	Very high	95	Very high	125 Å²	125	64.3 Å²	64.3	54%	0.543	30%	0.299	S	S	.	.	H	α-helix	trans	-59.1	-37.9	178.6	-177.9	-173.8	178.7	-169.7	0	112.5	R38 Y39 L231 E234	R38-K42 WeakPolarHBondContact O-CB 3.37Å; R38-K42 PolarHBondContact O-N 3.49Å; Y39-K42 WeakPolarHBondContact O-CB 3.48Å; Y39-K42 PolarHBondContact O-N 2.94Å; Y39-K42 VanDerWaalsContact O-N 3.16Å; K42-L231 HydrophobicContact CD-CD1 4.25Å; K42-E234 VanDerWaalsContact NZ-CD 3.27Å; K42-E234 IonicContact NZ-OE1 3.67Å; K42-E234 PolarHBondContact NZ-OE1 3.22Å; K42-E234 IonicContact NZ-OE2 3.54Å; K42-E234 PolarHBondContact NZ-OE2 2.92Å
43	C	95.8	Very high	94.8	Very high	51 Å²	51	67.1 Å²	67.1	35%	0.345	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	5.1	-179.1	-66.6	0	0	0	0	113.7	Y39 A40 Q41 V45	Y39-C43 WeakPolarHBondContact CE2-SG 3.46Å; Y39-C43 VanDerWaalsContact CZ-SG 3.58Å; Y39-C43 PolarHBondContact O-N 3.06Å; A40-C43 PolarHBondContact O-N 2.92Å; Q41-C43 VanDerWaalsContact C-N 3.28Å; Q41-C43 PolarHBondContact O-N 3.38Å; C43-V45 VanDerWaalsContact C-N 3.25Å; C43-V45 HydrophobicContact CB-CG1 4.46Å; C43-V45 HydrophobicContact CB-CG2 4.21Å; C43-V45 PolarHBondContact O-N 3.36Å
44	H	95.7	Very high	94.7	Very high	182 Å²	182	66.1 Å²	66.1	84%	0.843	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	39.2	-176.5	-55.2	-71.7	0	0	0	113.9	A40 Q41	A40-H44 PolarHBondContact O-N 2.87Å; A40-H44 VanDerWaalsContact O-N 3.08Å; Q41-H44 PolarHBondContact O-N 3.03Å
45	V	95.1	Very high	94.6	Very high	60 Å²	60	65.2 Å²	65.2	36%	0.364	30%	0.302	S	S	.	.			trans	-114.9	163.3	175.8	-61.5	0	0	0	0	111.1	A40 C43 Q49	A40-V45 CarbonylContact C-O 3.56Å; A40-V45 HydrophobicContact CB-CG2 4.01Å; A40-V45 PolarHBondContact O-N 3.12Å; C43-V45 VanDerWaalsContact C-N 3.25Å; C43-V45 HydrophobicContact CB-CG1 4.46Å; C43-V45 HydrophobicContact CB-CG2 4.21Å; C43-V45 PolarHBondContact O-N 3.36Å; V45-Q49 HydrophobicContact CB-CB 4.22Å; V45-Q49 HydrophobicContact CB-CG 4.23Å; V45-Q49 HydrophobicContact CG2-CB 4.22Å; V45-Q49 HydrophobicContact CG2-CG 4.25Å
46	E	92.4	Very high	94.4	Very high	155 Å²	155	66.4 Å²	66.4	72%	0.724	31%	0.308	S	S	*	.			trans	-63	151.6	176.1	-63.5	-173.7	168.7	0	0	112.3	Q48 Q49 G50	E46-Q48 PolarHBondContact O-N 2.98Å; E46-Q49 WeakPolarHBondContact O-CB 3.37Å; E46-Q49 PolarHBondContact O-N 2.67Å; E46-G50 PolarHBondContact O-N 3.18Å; E46-G50 VanDerWaalsContact O-N 3.16Å
47	R	91.6	Very high	94.4	Very high	123 Å²	123	66.8 Å²	66.8	46%	0.464	31%	0.308	S	S	.	.	H	α-helix	trans	-56.5	-40.8	179.7	-66.9	-176.9	-173.8	163.8	9.5	112.1	Q49 G50 H51 E89	R47-Q49 VanDerWaalsContact C-N 3.28Å; R47-Q49 PolarHBondContact O-N 3.34Å; R47-G50 WeakPolarHBondContact O-CA 3.47Å; R47-G50 PolarHBondContact O-N 2.75Å; R47-G50 VanDerWaalsContact O-N 3.09Å; R47-H51 PolarHBondContact O-CD2 3.31Å; R47-H51 VanDerWaalsContact O-CD2 3.25Å; R47-H51 PolarHBondContact O-N 2.96Å; R47-H51 VanDerWaalsContact O-N 3.09Å; R47-E89 IonicContact NH1-OE2 2.72Å; R47-E89 PolarHBondContact NH1-OE2 3Å
48	Q	90.4	Very high	94.5	Very high	67 Å²	67	62.4 Å²	62.4	31%	0.313	29%	0.293	S	S	.	.	H	α-helix	trans	-59.7	-40.5	178.2	-171.9	63.7	8.3	0	0	111.6	E46 G50 H51 S52 G92	E46-Q48 PolarHBondContact O-N 2.98Å; Q48-G50 VanDerWaalsContact C-N 3.34Å; Q48-G50 PolarHBondContact O-N 3.49Å; Q48-H51 PolarHBondContact O-N 3.25Å; Q48-S52 PolarHBondContact O-N 3.23Å; Q48-G92 PolarHBondContact NE2-O 3.04Å; Q48-G92 PolarHBondContact OE1-O 3.35Å
49	Q	91.5	Very high	94.2	Very high	88 Å²	88	58.5 Å²	58.5	41%	0.411	28%	0.278	S	S	.	.	H	α-helix	trans	-64.7	-38.8	175.6	-172	61.8	13.7	0	0	111.6	V45 E46 R47 H51 S52 Q53	V45-Q49 HydrophobicContact CB-CB 4.22Å; V45-Q49 HydrophobicContact CB-CG 4.23Å; V45-Q49 HydrophobicContact CG2-CB 4.22Å; V45-Q49 HydrophobicContact CG2-CG 4.25Å; E46-Q49 WeakPolarHBondContact O-CB 3.37Å; E46-Q49 PolarHBondContact O-N 2.67Å; R47-Q49 VanDerWaalsContact C-N 3.28Å; R47-Q49 PolarHBondContact O-N 3.34Å; Q49-H51 VanDerWaalsContact C-N 3.33Å; Q49-H51 PolarHBondContact O-N 3.32Å; Q49-S52 PolarHBondContact O-N 2.86Å; Q49-Q53 VanDerWaalsContact O-CG 3.3Å; Q49-Q53 WeakPolarHBondContact O-CG 3.47Å; Q49-Q53 PolarHBondContact O-N 3.04Å
50	G	94	Very high	94.1	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-59.6	-40.7	173	0	0	0	0	0	113.3	E46 R47 Q48 G54	E46-G50 PolarHBondContact O-N 3.18Å; E46-G50 VanDerWaalsContact O-N 3.16Å; R47-G50 WeakPolarHBondContact O-CA 3.47Å; R47-G50 PolarHBondContact O-N 2.75Å; R47-G50 VanDerWaalsContact O-N 3.09Å; Q48-G50 VanDerWaalsContact C-N 3.34Å; Q48-G50 PolarHBondContact O-N 3.49Å; G50-G54 PolarHBondContact O-N 3.01Å
51	H	92.7	Very high	94.1	Very high	21 Å²	21	58.7 Å²	58.7	10%	0.097	28%	0.281	C	S	.	.	H	α-helix	trans	-68.7	-40.2	174.8	-75.3	-69.6	0	0	0	112.7	R47 Q48 Q49 Q53 G54 F55 L93 L96	R47-H51 PolarHBondContact O-CD2 3.31Å; R47-H51 VanDerWaalsContact O-CD2 3.25Å; R47-H51 PolarHBondContact O-N 2.96Å; R47-H51 VanDerWaalsContact O-N 3.09Å; Q48-H51 PolarHBondContact O-N 3.25Å; Q49-H51 VanDerWaalsContact C-N 3.33Å; Q49-H51 PolarHBondContact O-N 3.32Å; H51-Q53 VanDerWaalsContact C-N 3.34Å; H51-Q53 PolarHBondContact O-N 3.05Å; H51-G54 PolarHBondContact O-N 2.78Å; H51-G54 VanDerWaalsContact O-N 3.16Å; H51-F55 PolarHBondContact O-N 3.46Å; H51-L93 HydrophobicContact CB-CD2 4.18Å; H51-L96 HydrophobicContact CB-CD2 3.91Å
52	S	93	Very high	93.9	Very high	28 Å²	28	54.3 Å²	54.3	20%	0.196	26%	0.261	C	S	.	.	H	α-helix	trans	-59.7	-44.2	174.1	-170.2	0	0	0	0	111.7	Q48 Q49 G54 F55 D56	Q48-S52 PolarHBondContact O-N 3.23Å; Q49-S52 PolarHBondContact O-N 2.86Å; S52-G54 VanDerWaalsContact C-N 3.33Å; S52-G54 PolarHBondContact O-N 3.33Å; S52-F55 WeakPolarHBondContact O-CB 3.44Å; S52-F55 PolarHBondContact O-N 3.29Å; S52-D56 PolarHBondContact O-N 3.17Å
53	Q	95	Very high	93.7	Very high	69 Å²	69	50.8 Å²	50.8	32%	0.322	24%	0.244	S	C	.	.	H	α-helix	trans	-65.4	-35.9	174.5	-67.9	-73.1	24.3	0	0	112.4	Y39 Q49 H51 F55 D56 K57 P233	Y39-Q53 HydrophobicContact CE1-CB 4.13Å; Y39-Q53 HydrophobicContact CE1-CG 4.2Å; Q49-Q53 VanDerWaalsContact O-CG 3.3Å; Q49-Q53 WeakPolarHBondContact O-CG 3.47Å; Q49-Q53 PolarHBondContact O-N 3.04Å; H51-Q53 VanDerWaalsContact C-N 3.34Å; H51-Q53 PolarHBondContact O-N 3.05Å; Q53-F55 VanDerWaalsContact C-N 3.34Å; Q53-F55 PolarHBondContact O-N 3.46Å; Q53-D56 PolarHBondContact O-N 3.36Å; Q53-K57 PolarHBondContact O-N 2.88Å; Q53-P233 HydrophobicContact CB-CB 4.18Å
54	G	95.3	Very high	93.7	Very high	4 Å²	4	48.7 Å²	48.7	4%	0.041	23%	0.229	C	C	.	.	H	α-helix	trans	-60.9	-41.7	172.5	0	0	0	0	0	112.5	G50 H51 S52 K57 L58 W232	G50-G54 PolarHBondContact O-N 3.01Å; H51-G54 PolarHBondContact O-N 2.78Å; H51-G54 VanDerWaalsContact O-N 3.16Å; S52-G54 VanDerWaalsContact C-N 3.33Å; S52-G54 PolarHBondContact O-N 3.33Å; G54-K57 WeakPolarHBondContact O-CB 3.46Å; G54-K57 PolarHBondContact O-N 3.23Å; G54-L58 PolarHBondContact O-N 2.8Å; G54-W232 VanDerWaalsContact CA-CD1 3.48Å; G54-W232 PolarHBondContact O-NE1 3.01Å
55	F	93.4	Very high	93.7	Very high	24 Å²	24	40 Å²	40	11%	0.105	19%	0.189	C	C	.	.	H	α-helix	trans	-64.3	-42.1	173.1	179.7	-84.4	0	0	0	111.9	W3 H51 S52 Q53 K57 L58 A59 K100	W3-F55 AromaticContact CD1-CZ 3.84Å; W3-F55 HydrophobicContact CD2-CE2 4.12Å; W3-F55 AromaticContact CD2-CZ 3.73Å; W3-F55 HydrophobicContact CD2-CZ 3.73Å; W3-F55 AromaticContact CE2-CE2 3.71Å; W3-F55 AromaticContact CE2-CZ 3.51Å; W3-F55 HydrophobicContact CE3-CE2 4.46Å; W3-F55 HydrophobicContact CE3-CZ 4.39Å; W3-F55 AromaticContact CG-CZ 3.94Å; W3-F55 HydrophobicContact CG-CZ 3.94Å; W3-F55 HydrophobicContact CH2-CE2 4.11Å; W3-F55 AromaticContact CZ2-CE2 3.72Å; W3-F55 HydrophobicContact CZ2-CE2 3.72Å; W3-F55 HydrophobicContact CZ2-CZ 4.03Å; W3-F55 HydrophobicContact CZ3-CE2 4.46Å; W3-F55 AromaticContact NE1-CZ 3.55Å; H51-F55 PolarHBondContact O-N 3.46Å; S52-F55 WeakPolarHBondContact O-CB 3.44Å; S52-F55 PolarHBondContact O-N 3.29Å; Q53-F55 VanDerWaalsContact C-N 3.34Å; Q53-F55 PolarHBondContact O-N 3.46Å; F55-K57 PolarHBondContact O-N 2.95Å; F55-L58 VanDerWaalsContact O-CB 3.31Å; F55-L58 WeakPolarHBondContact O-CB 3.44Å; F55-L58 PolarHBondContact O-N 3.48Å; F55-L58 VanDerWaalsContact O-N 3.1Å; F55-A59 PolarHBondContact O-N 3.06Å; F55-A59 VanDerWaalsContact O-N 3.16Å; F55-K100 HydrophobicContact CD1-CD 3.61Å; F55-K100 HydrophobicContact CD1-CG 4.2Å; F55-K100 HydrophobicContact CD2-CB 4.35Å; F55-K100 HydrophobicContact CD2-CD 4.07Å; F55-K100 HydrophobicContact CD2-CG 3.7Å; F55-K100 HydrophobicContact CE1-CD 3.49Å; F55-K100 VanDerWaalsContact CE1-CD 3.49Å; F55-K100 HydrophobicContact CE1-CG 4.12Å; F55-K100 HydrophobicContact CE2-CB 3.8Å; F55-K100 HydrophobicContact CE2-CD 3.96Å; F55-K100 HydrophobicContact CE2-CG 3.6Å; F55-K100 HydrophobicContact CG-CD 3.9Å; F55-K100 VanDerWaalsContact CG-CE 3.46Å; F55-K100 HydrophobicContact CG-CG 4Å; F55-K100 HydrophobicContact CZ-CB 4Å; F55-K100 HydrophobicContact CZ-CD 3.67Å; F55-K100 HydrophobicContact CZ-CG 3.82Å
56	D	92.8	Very high	93.5	Very high	27 Å²	27	40.4 Å²	40.4	14%	0.144	19%	0.189	C	C	.	.	H	α-helix	trans	-62.4	-34.4	177.9	-85	12.8	0	0	0	112	M1 R5 S52 Q53 Q60 K100	M1-D56 WeakPolarHBondContact CB-OD1 3.48Å; M1-D56 WeakPolarHBondContact CG-OD2 3.48Å; R5-D56 VanDerWaalsContact NH2-CB 3.28Å; R5-D56 VanDerWaalsContact NH2-CG 3.26Å; R5-D56 PolarHBondContact NH2-O 3.23Å; R5-D56 IonicContact NH2-OD1 3.9Å; R5-D56 IonicContact NH2-OD2 2.7Å; R5-D56 PolarHBondContact NH2-OD2 3.23Å; S52-D56 PolarHBondContact O-N 3.17Å; Q53-D56 PolarHBondContact O-N 3.36Å; D56-Q60 PolarHBondContact O-N 3.17Å; D56-K100 IonicContact OD1-NZ 3.5Å
57	K	96.6	Very high	93.5	Very high	29 Å²	29	35.5 Å²	35.5	13%	0.126	17%	0.168	C	C	.	.	H	α-helix	trans	-65.9	-43	171.3	-173.7	60.5	58.6	177.1	0	112.5	Q53 G54 F55 A59 Q60 T61 W64 W232 P233 Y235	Q53-K57 PolarHBondContact O-N 2.88Å; G54-K57 WeakPolarHBondContact O-CB 3.46Å; G54-K57 PolarHBondContact O-N 3.23Å; F55-K57 PolarHBondContact O-N 2.95Å; K57-A59 VanDerWaalsContact C-N 3.34Å; K57-A59 PolarHBondContact O-N 2.91Å; K57-Q60 CarbonylContact O-C 3.52Å; K57-Q60 WeakPolarHBondContact O-CA 3.37Å; K57-Q60 WeakPolarHBondContact O-CB 3.41Å; K57-Q60 PolarHBondContact O-N 3.18Å; K57-T61 PolarHBondContact O-N 2.87Å; K57-T61 PolarHBondContact O-OG1 3.35Å; K57-T61 VanDerWaalsContact O-OG1 3.1Å; K57-W64 HydrophobicContact CD-CH2 4.39Å; K57-W64 HydrophobicContact CD-CZ3 4.4Å; K57-W232 HydrophobicContact CB-CZ2 4.39Å; K57-W232 HydrophobicContact CG-CD2 4.41Å; K57-W232 HydrophobicContact CG-CZ2 4.11Å; K57-W232 WeakPolarHBondContact CG-O 3.34Å; K57-P233 WeakPolarHBondContact CE-O 3.4Å; K57-Y235 VanDerWaalsContact CD-O 3.24Å; K57-Y235 WeakPolarHBondContact CD-O 3.3Å; K57-Y235 WeakPolarHBondContact CE-O 3.37Å; K57-Y235 PolarHBondContact NZ-O 3.25Å
58	L	95.3	Very high	93.7	Very high	9 Å²	9	29.8 Å²	29.8	5%	0.047	15%	0.146	C	C	.	.	H	α-helix	trans	-52.1	-52.4	175.2	171.5	61.4	0	0	0	111.3	M33 G54 F55 Q60 T61 L62 V75 W232	M33-L58 HydrophobicContact CE-CD2 4.47Å; M33-L58 HydrophobicContact SD-CB 4.13Å; M33-L58 HydrophobicContact SD-CD1 3.98Å; M33-L58 HydrophobicContact SD-CD2 4.31Å; M33-L58 HydrophobicContact SD-CG 4.38Å; G54-L58 PolarHBondContact O-N 2.8Å; F55-L58 VanDerWaalsContact O-CB 3.31Å; F55-L58 WeakPolarHBondContact O-CB 3.44Å; F55-L58 PolarHBondContact O-N 3.48Å; F55-L58 VanDerWaalsContact O-N 3.1Å; L58-Q60 PolarHBondContact O-N 2.76Å; L58-T61 PolarHBondContact O-N 2.65Å; L58-T61 VanDerWaalsContact O-N 3.08Å; L58-L62 HydrophobicContact CD1-CD1 4.02Å; L58-L62 HydrophobicContact CD1-CD2 4.24Å; L58-L62 HydrophobicContact CD1-CG 3.93Å; L58-L62 HydrophobicContact CG-CD1 4.07Å; L58-L62 HydrophobicContact CG-CG 4.4Å; L58-L62 VanDerWaalsContact O-CG 3.31Å; L58-L62 WeakPolarHBondContact O-CG 3.45Å; L58-L62 PolarHBondContact O-N 3.31Å; L58-V75 HydrophobicContact CD1-CB 4.32Å; L58-V75 HydrophobicContact CD1-CG1 3.58Å; L58-V75 HydrophobicContact CD1-CG2 4.24Å; L58-V75 HydrophobicContact CD2-CG2 4.17Å; L58-W232 HydrophobicContact CB-CZ2 4.06Å
59	A	91.8	Very high	93.9	Very high	2 Å²	2	28.7 Å²	28.7	2%	0.017	15%	0.153	C	C	.	.	H	α-helix	trans	-58.1	-36.2	178.3	0	0	0	0	0	112.6	S2 W3 R5 F55 K57 R63	S2-A59 WeakPolarHBondContact O-CB 3.33Å; W3-A59 WeakPolarHBondContact O-CB 3.25Å; R5-A59 HydrophobicContact CG-CB 4.19Å; F55-A59 PolarHBondContact O-N 3.06Å; F55-A59 VanDerWaalsContact O-N 3.16Å; K57-A59 VanDerWaalsContact C-N 3.34Å; K57-A59 PolarHBondContact O-N 2.91Å; A59-R63 PolarHBondContact O-N 2.91Å
60	Q	94.1	Very high	94.2	Very high	45 Å²	45	24.7 Å²	24.7	21%	0.21	13%	0.134	C	C	.	.	H	α-helix	trans	-70.1	-41	175.6	-170.1	179.1	21.4	0	0	112.4	D56 K57 L58 R63 W64	D56-Q60 PolarHBondContact O-N 3.17Å; K57-Q60 CarbonylContact O-C 3.52Å; K57-Q60 WeakPolarHBondContact O-CA 3.37Å; K57-Q60 WeakPolarHBondContact O-CB 3.41Å; K57-Q60 PolarHBondContact O-N 3.18Å; L58-Q60 PolarHBondContact O-N 2.76Å; Q60-R63 WeakPolarHBondContact O-CB 3.41Å; Q60-R63 PolarHBondContact O-N 3.37Å; Q60-W64 VanDerWaalsContact CD-CZ2 3.4Å; Q60-W64 HydrophobicContact CG-CD2 4.36Å; Q60-W64 HydrophobicContact CG-CH2 3.82Å; Q60-W64 HydrophobicContact CG-CZ2 3.53Å; Q60-W64 HydrophobicContact CG-CZ3 4.39Å; Q60-W64 VanDerWaalsContact NE2-CZ2 3.33Å; Q60-W64 PolarHBondContact O-N 3.39Å; Q60-W64 VanDerWaalsContact O-N 3.15Å
61	T	96.3	Very high	94.2	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.006	16%	0.16	C	C	.	.	H	α-helix	trans	-67	-40.8	178.1	-55.7	0	0	0	0	111.8	F31 K57 L58 R63 W64 C65 W232	F31-T61 HydrophobicContact CE1-CG2 4Å; F31-T61 HydrophobicContact CE2-CG2 4.18Å; F31-T61 HydrophobicContact CZ-CG2 3.67Å; K57-T61 PolarHBondContact O-N 2.87Å; K57-T61 PolarHBondContact O-OG1 3.35Å; K57-T61 VanDerWaalsContact O-OG1 3.1Å; L58-T61 PolarHBondContact O-N 2.65Å; L58-T61 VanDerWaalsContact O-N 3.08Å; T61-R63 VanDerWaalsContact C-N 3.28Å; T61-R63 PolarHBondContact O-N 2.89Å; T61-W64 HydrophobicContact CG2-CE3 4.4Å; T61-W64 WeakPolarHBondContact O-CB 3.43Å; T61-W64 PolarHBondContact O-N 2.87Å; T61-C65 PolarHBondContact O-N 3.35Å; T61-C65 PolarHBondContact O-SG 3.5Å; T61-W232 HydrophobicContact CG2-CH2 4.27Å
62	L	93.2	Very high	94.5	Very high	31 Å²	31	29.8 Å²	29.8	16%	0.162	16%	0.158	C	C	.	.	H	α-helix	trans	-59.1	-40.5	175	-66.9	174.5	0	0	0	112	L58 C65 L66 V73 L150	L58-L62 HydrophobicContact CD1-CD1 4.02Å; L58-L62 HydrophobicContact CD1-CD2 4.24Å; L58-L62 HydrophobicContact CD1-CG 3.93Å; L58-L62 HydrophobicContact CG-CD1 4.07Å; L58-L62 HydrophobicContact CG-CG 4.4Å; L58-L62 VanDerWaalsContact O-CG 3.31Å; L58-L62 WeakPolarHBondContact O-CG 3.45Å; L58-L62 PolarHBondContact O-N 3.31Å; L62-C65 PolarHBondContact O-N 2.97Å; L62-L66 WeakPolarHBondContact O-CB 3.44Å; L62-L66 PolarHBondContact O-N 3.41Å; L62-V73 HydrophobicContact CD2-CB 3.64Å; L62-V73 HydrophobicContact CD2-CG1 3.64Å; L62-V73 HydrophobicContact CD2-CG2 3.89Å; L62-L150 HydrophobicContact CD1-CD1 4.09Å; L62-L150 HydrophobicContact CD1-CD2 3.6Å; L62-L150 HydrophobicContact CD1-CG 4.43Å; L62-L150 HydrophobicContact CD2-CD1 3.72Å
63	R	91.6	Very high	94.7	Very high	51 Å²	51	28.7 Å²	28.7	19%	0.192	15%	0.151	C	C	.	.	H	α-helix	trans	-61.2	-43.4	173	-176.6	-172.1	73.8	173.7	5.9	112.1	R5 E6 G7 A59 Q60 T61 L66 N67	R5-R63 WeakPolarHBondContact O-CD 3.36Å; R5-R63 VanDerWaalsContact O-CG 3.22Å; R5-R63 WeakPolarHBondContact O-CG 3.43Å; E6-R63 PolarHBondContact O-NH1 3.03Å; G7-R63 WeakPolarHBondContact O-CD 3.49Å; A59-R63 PolarHBondContact O-N 2.91Å; Q60-R63 WeakPolarHBondContact O-CB 3.41Å; Q60-R63 PolarHBondContact O-N 3.37Å; T61-R63 VanDerWaalsContact C-N 3.28Å; T61-R63 PolarHBondContact O-N 2.89Å; R63-L66 PolarHBondContact O-N 3.46Å; R63-N67 PolarHBondContact O-N 3.11Å; R63-N67 PolarHBondContact O-ND2 2.56Å
64	W	95.9	Very high	94.9	Very high	6 Å²	6	25.4 Å²	25.4	2%	0.023	14%	0.135	C	C	.	.	H	α-helix	trans	-63.1	-44.6	176.1	-63.8	-40	0	0	0	111.9	K57 Q60 T61 L66 N67 L68 Y235 S236 F237 L240	K57-W64 HydrophobicContact CD-CH2 4.39Å; K57-W64 HydrophobicContact CD-CZ3 4.4Å; Q60-W64 VanDerWaalsContact CD-CZ2 3.4Å; Q60-W64 HydrophobicContact CG-CD2 4.36Å; Q60-W64 HydrophobicContact CG-CH2 3.82Å; Q60-W64 HydrophobicContact CG-CZ2 3.53Å; Q60-W64 HydrophobicContact CG-CZ3 4.39Å; Q60-W64 VanDerWaalsContact NE2-CZ2 3.33Å; Q60-W64 PolarHBondContact O-N 3.39Å; Q60-W64 VanDerWaalsContact O-N 3.15Å; T61-W64 HydrophobicContact CG2-CE3 4.4Å; T61-W64 WeakPolarHBondContact O-CB 3.43Å; T61-W64 PolarHBondContact O-N 2.87Å; W64-L66 VanDerWaalsContact C-N 3.32Å; W64-L66 PolarHBondContact O-N 3.04Å; W64-N67 PolarHBondContact O-N 3.36Å; W64-L68 WeakPolarHBondContact O-CB 3.35Å; W64-L68 VanDerWaalsContact O-CG 3.26Å; W64-L68 WeakPolarHBondContact O-CG 3.34Å; W64-L68 PolarHBondContact O-N 3.34Å; W64-Y235 HydrophobicContact CZ3-CD1 4.38Å; W64-S236 VanDerWaalsContact CZ3-C 3.47Å; W64-F237 HydrophobicContact CB-CD2 4.16Å; W64-F237 AromaticContact CD1-CD2 3.74Å; W64-F237 HydrophobicContact CD2-CB 4.16Å; W64-F237 HydrophobicContact CD2-CD2 4.32Å; W64-F237 AromaticContact CG-CD2 3.86Å; W64-F237 HydrophobicContact CG-CD2 3.86Å; W64-F237 VanDerWaalsContact CH2-N 3.34Å; W64-F237 HydrophobicContact CZ2-CB 4.09Å; W64-L240 HydrophobicContact CB-CD2 3.82Å
65	C	95.6	Very high	95.1	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.007	13%	0.133	C	C	.	.	H	α-helix	trans	-55.8	-47.5	174.5	-71.2	0	0	0	0	111.2	T61 L62 N67 L68 G69 I70 V73	T61-C65 PolarHBondContact O-N 3.35Å; T61-C65 PolarHBondContact O-SG 3.5Å; L62-C65 PolarHBondContact O-N 2.97Å; C65-N67 PolarHBondContact O-N 3.41Å; C65-L68 CarbonylContact O-C 3.55Å; C65-L68 PolarHBondContact O-N 2.99Å; C65-L68 VanDerWaalsContact O-N 3.17Å; C65-G69 PolarHBondContact O-N 3.12Å; C65-G69 VanDerWaalsContact O-N 3.08Å; C65-I70 HydrophobicContact CB-CB 3.96Å; C65-I70 HydrophobicContact CB-CD1 4.39Å; C65-I70 HydrophobicContact CB-CG2 4.28Å; C65-I70 WeakPolarHBondContact O-CB 3.43Å; C65-I70 PolarHBondContact O-N 3.48Å; C65-V73 HydrophobicContact CB-CG2 3.85Å
66	L	91.7	Very high	95.3	Very high	68 Å²	68	25.1 Å²	25.1	36%	0.356	13%	0.132	S	C	.	.	H	α-helix	trans	-59.1	-48.9	176.8	-178.2	55.6	0	0	0	112.4	L62 R63 W64 L68 G69 C148	L62-L66 WeakPolarHBondContact O-CB 3.44Å; L62-L66 PolarHBondContact O-N 3.41Å; R63-L66 PolarHBondContact O-N 3.46Å; W64-L66 VanDerWaalsContact C-N 3.32Å; W64-L66 PolarHBondContact O-N 3.04Å; L66-L68 PolarHBondContact O-N 3.01Å; L66-G69 PolarHBondContact O-N 2.93Å; L66-C148 WeakPolarHBondContact CD1-SG 3.24Å
67	N	92.9	Very high	95.4	Very high	52 Å²	52	25.8 Å²	25.8	28%	0.278	14%	0.141	S	C	.	.	H	α-helix	trans	-63.2	-29.9	178.2	-72.3	-20.2	0	0	0	112.5	G7 L9 K21 R63 W64 C65 G69	G7-N67 PolarHBondContact O-ND2 3.21Å; G7-N67 VanDerWaalsContact O-ND2 3.08Å; L9-N67 HydrophobicContact CD1-CB 3.93Å; L9-N67 HydrophobicContact CD2-CB 4.03Å; L9-N67 HydrophobicContact CG-CB 3.81Å; K21-N67 PolarHBondContact NZ-O 2.92Å; R63-N67 PolarHBondContact O-N 3.11Å; R63-N67 PolarHBondContact O-ND2 2.56Å; W64-N67 PolarHBondContact O-N 3.36Å; C65-N67 PolarHBondContact O-N 3.41Å; N67-G69 VanDerWaalsContact C-N 3.28Å
68	L	95.7	Very high	95.3	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.01	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-4.1	174	-68.1	171.2	0	0	0	113.2	A17 K21 M25 W64 C65 L66 I70 F237 L240 I244	A17-L68 HydrophobicContact CB-CD2 3.54Å; K21-L68 VanDerWaalsContact CE-C 3.48Å; K21-L68 WeakPolarHBondContact CE-O 3.44Å; M25-L68 HydrophobicContact CE-CB 4.21Å; W64-L68 WeakPolarHBondContact O-CB 3.35Å; W64-L68 VanDerWaalsContact O-CG 3.26Å; W64-L68 WeakPolarHBondContact O-CG 3.34Å; W64-L68 PolarHBondContact O-N 3.34Å; C65-L68 CarbonylContact O-C 3.55Å; C65-L68 PolarHBondContact O-N 2.99Å; C65-L68 VanDerWaalsContact O-N 3.17Å; L66-L68 PolarHBondContact O-N 3.01Å; L68-I70 VanDerWaalsContact C-N 3.32Å; L68-I70 HydrophobicContact CB-CD1 4.2Å; L68-I70 HydrophobicContact CB-CG1 4.25Å; L68-I70 HydrophobicContact CD1-CD1 4.48Å; L68-F237 HydrophobicContact CD1-CE2 4.06Å; L68-F237 HydrophobicContact CD2-CE2 4.2Å; L68-F237 HydrophobicContact CD2-CZ 4.29Å; L68-F237 HydrophobicContact CG-CE2 4.25Å; L68-L240 HydrophobicContact CD1-CD2 3.76Å; L68-L240 HydrophobicContact CD1-CG 4.23Å; L68-I244 HydrophobicContact CD1-CD1 3.72Å
69	G	93.9	Very high	95.4	Very high	45 Å²	45	24.4 Å²	24.4	46%	0.464	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	17.2	-179.1	0	0	0	0	0	114.1	C65 L66 N67 Q71	C65-G69 PolarHBondContact O-N 3.12Å; C65-G69 VanDerWaalsContact O-N 3.08Å; L66-G69 PolarHBondContact O-N 2.93Å; N67-G69 VanDerWaalsContact C-N 3.28Å; G69-Q71 PolarHBondContact O-N 3.36Å
70	I	96.8	Very high	95.6	Very high	3 Å²	3	25.4 Å²	25.4	2%	0.015	14%	0.141	C	C	.	.			trans	-78.9	116.2	172.6	-58.7	169.8	0	0	0	107	M25 P26 V29 C65 L68 I244	M25-I70 HydrophobicContact CE-CG1 4.41Å; P26-I70 HydrophobicContact CG-CD1 4.24Å; P26-I70 HydrophobicContact CG-CG1 4.46Å; V29-I70 HydrophobicContact CB-CG2 4.46Å; V29-I70 HydrophobicContact CG2-CD1 4.03Å; V29-I70 HydrophobicContact CG2-CG2 3.84Å; C65-I70 HydrophobicContact CB-CB 3.96Å; C65-I70 HydrophobicContact CB-CD1 4.39Å; C65-I70 HydrophobicContact CB-CG2 4.28Å; C65-I70 WeakPolarHBondContact O-CB 3.43Å; C65-I70 PolarHBondContact O-N 3.48Å; L68-I70 VanDerWaalsContact C-N 3.32Å; L68-I70 HydrophobicContact CB-CD1 4.2Å; L68-I70 HydrophobicContact CB-CG1 4.25Å; L68-I70 HydrophobicContact CD1-CD1 4.48Å; I70-I244 HydrophobicContact CD1-CD1 4.04Å
71	Q	94.8	Very high	95.5	Very high	117 Å²	117	27.7 Å²	27.7	55%	0.547	15%	0.152	S	C	.	.			trans	-86.2	-26.3	-168.7	-65.4	176	5.4	0	0	112.8	K27 G69 C148 F149	K27-Q71 PolarHBondContact O-N 3.05Å; G69-Q71 PolarHBondContact O-N 3.36Å; Q71-C148 CarbonylContact O-C 3.48Å; Q71-C148 VanDerWaalsContact O-CA 3.27Å; Q71-C148 WeakPolarHBondContact O-CA 3.31Å; Q71-F149 PolarHBondContact O-N 2.64Å
72	E	98.3	Very high	95.3	Very high	11 Å²	11	29.1 Å²	29.1	5%	0.051	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	135.1	-173.9	-173.3	154.3	-163.2	0	0	112.4	K27 H28 V29 R119 F149 N151 S197 P198	K27-E72 PolarHBondContact O-N 3.39Å; K27-E72 VanDerWaalsContact O-N 3.14Å; H28-E72 WeakPolarHBondContact CA-O 3.3Å; H28-E72 HydrophobicContact CB-CB 4.14Å; H28-E72 HydrophobicContact CB-CG 4.46Å; H28-E72 PolarHBondContact CD2-O 3.49Å; V29-E72 PolarHBondContact N-O 2.99Å; E72-R119 IonicContact OE1-NH1 3.57Å; E72-F149 WeakPolarHBondContact CA-O 3.3Å; E72-F149 HydrophobicContact CB-CB 4.07Å; E72-F149 HydrophobicContact CG-CB 3.7Å; E72-N151 PolarHBondContact OE1-ND2 2.55Å; E72-S197 WeakPolarHBondContact OE1-CB 3.47Å; E72-S197 PolarHBondContact OE1-OG 3.13Å; E72-P198 VanDerWaalsContact OE2-CD 3.24Å; E72-P198 WeakPolarHBondContact OE2-CD 3.47Å
73	V	98.5	Very high	95.3	Very high	6 Å²	6	30.9 Å²	30.9	4%	0.036	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	128.4	178.3	-179	0	0	0	0	110	V29 F31 L62 C65 V75 F149 L150 N151	V29-V73 CarbonylContact O-C 3.54Å; V29-V73 VanDerWaalsContact O-CA 3.25Å; V29-V73 WeakPolarHBondContact O-CA 3.49Å; F31-V73 HydrophobicContact CD2-CG1 3.69Å; F31-V73 HydrophobicContact CE2-CG1 3.75Å; L62-V73 HydrophobicContact CD2-CB 3.64Å; L62-V73 HydrophobicContact CD2-CG1 3.64Å; L62-V73 HydrophobicContact CD2-CG2 3.89Å; C65-V73 HydrophobicContact CB-CG2 3.85Å; V73-V75 HydrophobicContact CG1-CG1 3.78Å; V73-F149 PolarHBondContact N-O 2.95Å; V73-L150 HydrophobicContact CB-CD1 4.43Å; V73-L150 HydrophobicContact CG1-CD1 4.49Å; V73-L150 CarbonylContact O-C 3.52Å; V73-L150 WeakPolarHBondContact O-CA 3.35Å; V73-N151 PolarHBondContact O-N 3.39Å
74	T	98.8	Very high	95.3	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	133.2	171.7	-60.4	0	0	0	0	110.3	H28 V29 A30 F31 N151 F215 L216	H28-T74 PolarHBondContact CE1-OG1 3.05Å; H28-T74 VanDerWaalsContact CE1-OG1 3.29Å; H28-T74 WeakPolarHBondContact NE2-CB 3.32Å; H28-T74 PolarHBondContact NE2-OG1 2.68Å; V29-T74 PolarHBondContact O-N 3.25Å; A30-T74 CarbonylContact C-O 3.58Å; A30-T74 WeakPolarHBondContact CA-O 3.4Å; F31-T74 PolarHBondContact N-O 3.3Å; T74-N151 CarbonylContact C-O 3.24Å; T74-N151 VanDerWaalsContact CA-O 3.31Å; T74-N151 WeakPolarHBondContact CA-O 3.42Å; T74-N151 HydrophobicContact CG2-CB 3.87Å; T74-N151 WeakPolarHBondContact OG1-CB 3.48Å; T74-N151 PolarHBondContact OG1-ND2 3.21Å; T74-F215 HydrophobicContact CG2-CZ 4.05Å; T74-L216 HydrophobicContact CG2-CD1 3.91Å
75	V	98.6	Very high	95.2	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	138.4	-177.1	-57.4	0	0	0	0	112.3	F31 M33 L58 V73 A77 L150 N151 V152 C153	F31-V75 HydrophobicContact CB-CG1 4.19Å; F31-V75 HydrophobicContact CD2-CG1 4.29Å; F31-V75 WeakPolarHBondContact O-CA 3.49Å; M33-V75 HydrophobicContact CE-CB 3.81Å; M33-V75 HydrophobicContact CE-CG2 3.98Å; M33-V75 HydrophobicContact SD-CB 3.99Å; M33-V75 HydrophobicContact SD-CG1 4.28Å; L58-V75 HydrophobicContact CD1-CB 4.32Å; L58-V75 HydrophobicContact CD1-CG1 3.58Å; L58-V75 HydrophobicContact CD1-CG2 4.24Å; L58-V75 HydrophobicContact CD2-CG2 4.17Å; V73-V75 HydrophobicContact CG1-CG1 3.78Å; V75-A77 PolarHBondContact O-N 3.38Å; V75-L150 HydrophobicContact CG1-CD1 4.47Å; V75-L150 HydrophobicContact CG2-CD1 4.34Å; V75-N151 PolarHBondContact N-O 3.4Å; V75-V152 HydrophobicContact CG2-CG1 4.42Å; V75-V152 HydrophobicContact CG2-CG2 4.31Å; V75-C153 WeakPolarHBondContact O-CB 3.5Å; V75-C153 PolarHBondContact O-N 3.22Å
76	Y	98.1	Very high	95	Very high	22 Å²	22	41.2 Å²	41.2	9%	0.086	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	95.2	175.6	-156.4	-179.3	0	0	0	110.3	F31 I32 S79 C153 Y156 F215	F31-Y76 PolarHBondContact O-N 3.27Å; I32-Y76 HydrophobicContact CG1-CD1 4.48Å; I32-Y76 HydrophobicContact CG2-CD1 4.48Å; Y76-S79 VanDerWaalsContact OH-CB 3.22Å; Y76-S79 WeakPolarHBondContact OH-CB 3.47Å; Y76-S79 PolarHBondContact OH-OG 3.12Å; Y76-C153 HydrophobicContact CD2-CB 4.09Å; Y76-Y156 HydrophobicContact CD2-CD1 4.37Å; Y76-Y156 AromaticContact CE2-CD1 3.78Å; Y76-Y156 HydrophobicContact CE2-CD1 3.78Å; Y76-Y156 WeakPolarHBondContact CE2-O 3.42Å; Y76-Y156 PolarHBondContact OH-O 3.4Å; Y76-F215 VanDerWaalsContact CB-CE2 3.48Å; Y76-F215 HydrophobicContact CD1-CB 3.59Å; Y76-F215 HydrophobicContact CD1-CD1 4.28Å; Y76-F215 AromaticContact CD1-CD2 3.36Å; Y76-F215 HydrophobicContact CD1-CD2 3.36Å; Y76-F215 HydrophobicContact CD1-CE2 4.07Å; Y76-F215 AromaticContact CD1-CG 3.48Å; Y76-F215 HydrophobicContact CD1-CG 3.48Å; Y76-F215 VanDerWaalsContact CD1-CG 3.48Å; Y76-F215 AromaticContact CD2-CD2 3.82Å; Y76-F215 HydrophobicContact CD2-CD2 3.82Å; Y76-F215 HydrophobicContact CD2-CE2 4.01Å; Y76-F215 HydrophobicContact CE1-CB 3.57Å; Y76-F215 AromaticContact CE1-CD2 3.77Å; Y76-F215 HydrophobicContact CE1-CD2 3.77Å; Y76-F215 AromaticContact CE1-CG 3.92Å; Y76-F215 HydrophobicContact CE1-CG 3.92Å; Y76-F215 HydrophobicContact CE2-CD2 4.19Å; Y76-F215 HydrophobicContact CG-CB 4.47Å; Y76-F215 AromaticContact CG-CD2 3.36Å; Y76-F215 HydrophobicContact CG-CD2 3.36Å; Y76-F215 AromaticContact CG-CE2 3.61Å; Y76-F215 HydrophobicContact CG-CE2 3.61Å; Y76-F215 AromaticContact CG-CG 3.92Å; Y76-F215 HydrophobicContact CG-CG 3.92Å; Y76-F215 HydrophobicContact CG-CZ 4.32Å
77	A	95.1	Very high	95.1	Very high	40 Å²	40	45 Å²	45	33%	0.331	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	-43.4	-174.7	0	0	0	0	0	112.7	M33 V75 V152 C153 F154	M33-A77 HydrophobicContact CE-CB 4.27Å; V75-A77 PolarHBondContact O-N 3.38Å; A77-V152 HydrophobicContact CB-CG1 3.66Å; A77-C153 PolarHBondContact N-O 2.91Å; A77-F154 HydrophobicContact CB-CD2 3.8Å; A77-F154 HydrophobicContact CB-CE2 4.34Å
78	F	95.4	Very high	95	Very high	1 Å²	1	49.4 Å²	49.4	0%	0.004	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	121.6	-179.8	-168.2	-95.2	0	0	0	111.5	N82 F83 V90 L93 M94 C153 F154 A155 Y156	F78-N82 HydrophobicContact CD2-CB 4.03Å; F78-N82 HydrophobicContact CE1-CB 4.19Å; F78-N82 HydrophobicContact CE2-CB 3.62Å; F78-N82 HydrophobicContact CG-CB 4.49Å; F78-N82 HydrophobicContact CZ-CB 3.71Å; F78-F83 HydrophobicContact CD1-CE2 4.46Å; F78-F83 HydrophobicContact CD1-CZ 4.5Å; F78-F83 HydrophobicContact CE1-CD1 4.01Å; F78-F83 AromaticContact CE1-CD2 3.92Å; F78-F83 HydrophobicContact CE1-CD2 3.92Å; F78-F83 AromaticContact CE1-CE1 3.84Å; F78-F83 HydrophobicContact CE1-CE1 3.84Å; F78-F83 AromaticContact CE1-CE2 3.73Å; F78-F83 HydrophobicContact CE1-CE2 3.73Å; F78-F83 HydrophobicContact CE1-CG 4.05Å; F78-F83 AromaticContact CE1-CZ 3.7Å; F78-F83 HydrophobicContact CE1-CZ 3.7Å; F78-F83 HydrophobicContact CZ-CD1 4.13Å; F78-F83 HydrophobicContact CZ-CE1 4.23Å; F78-F83 HydrophobicContact CZ-CG 4.34Å; F78-V90 HydrophobicContact CZ-CG1 4.46Å; F78-L93 HydrophobicContact CD2-CB 4.42Å; F78-L93 HydrophobicContact CD2-CD1 4Å; F78-L93 HydrophobicContact CE2-CB 4.22Å; F78-L93 HydrophobicContact CE2-CD1 3.68Å; F78-M94 HydrophobicContact CD1-CE 4.27Å; F78-M94 HydrophobicContact CE1-CE 3.71Å; F78-M94 HydrophobicContact CE2-CE 4.13Å; F78-M94 HydrophobicContact CZ-CE 3.62Å; F78-C153 PolarHBondContact N-O 3.32Å; F78-C153 VanDerWaalsContact N-O 3.15Å; F78-F154 HydrophobicContact CB-CD1 4.08Å; F78-F154 HydrophobicContact CB-CD2 3.7Å; F78-F154 HydrophobicContact CB-CE1 4.02Å; F78-F154 HydrophobicContact CB-CE2 3.63Å; F78-F154 HydrophobicContact CB-CG 3.92Å; F78-F154 HydrophobicContact CB-CZ 3.79Å; F78-F154 HydrophobicContact CD1-CE1 4.35Å; F78-F154 HydrophobicContact CG-CE1 4.23Å; F78-F154 HydrophobicContact CG-CE2 4.45Å; F78-F154 HydrophobicContact CG-CZ 4.14Å; F78-F154 CarbonylContact O-C 3.6Å; F78-A155 PolarHBondContact O-N 2.86Å; F78-Y156 PolarHBondContact O-N 3.48Å; F78-Y156 VanDerWaalsContact O-N 3.14Å
79	S	96.4	Very high	94.6	Very high	9 Å²	9	50 Å²	50	6%	0.063	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	150.9	177.1	-176.9	0	0	0	0	111.8	Y76 E81 N82 Y156	Y76-S79 VanDerWaalsContact OH-CB 3.22Å; Y76-S79 WeakPolarHBondContact OH-CB 3.47Å; Y76-S79 PolarHBondContact OH-OG 3.12Å; S79-E81 PolarHBondContact O-N 2.84Å; S79-E81 PolarHBondContact OG-N 3.49Å; S79-N82 PolarHBondContact N-OD1 3.23Å; S79-N82 WeakPolarHBondContact O-CA 3.49Å; S79-N82 VanDerWaalsContact O-CB 3.24Å; S79-N82 WeakPolarHBondContact O-CB 3.49Å; S79-N82 PolarHBondContact O-N 3.29Å; S79-Y156 VanDerWaalsContact CA-O 3.28Å; S79-Y156 WeakPolarHBondContact CA-O 3.3Å; S79-Y156 PolarHBondContact OG-O 3.08Å
80	I	95.5	Very high	94.6	Very high	23 Å²	23	48.6 Å²	48.6	12%	0.118	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-56	-36	169.2	-62.7	167.9	0	0	0	110.5	N82 F83 D123 L126 A155 Y156 T157 H160	I80-N82 PolarHBondContact O-N 3.15Å; I80-N82 VanDerWaalsContact O-N 3.08Å; I80-F83 HydrophobicContact CG2-CD2 4.37Å; I80-F83 WeakPolarHBondContact O-CB 3.29Å; I80-F83 VanDerWaalsContact O-CD2 3.3Å; I80-F83 WeakPolarHBondContact O-CD2 3.28Å; I80-F83 PolarHBondContact O-N 3.42Å; I80-F83 VanDerWaalsContact O-N 3.12Å; I80-D123 HydrophobicContact CD1-CB 4.28Å; I80-L126 HydrophobicContact CD1-CD1 4.28Å; I80-L126 HydrophobicContact CG1-CD1 4.13Å; I80-L126 HydrophobicContact CG2-CD1 4.29Å; I80-A155 VanDerWaalsContact CG1-C 3.48Å; I80-A155 VanDerWaalsContact CG1-O 3.28Å; I80-A155 WeakPolarHBondContact CG1-O 3.39Å; I80-Y156 PolarHBondContact N-O 2.95Å; I80-T157 HydrophobicContact CB-CG2 3.91Å; I80-T157 HydrophobicContact CD1-CG2 4.28Å; I80-T157 HydrophobicContact CG1-CG2 4.29Å; I80-H160 HydrophobicContact CD1-CB 3.82Å; I80-H160 VanDerWaalsContact CD1-CG 3.43Å
81	E	92.8	Very high	94.4	Very high	93 Å²	93	52 Å²	52	44%	0.435	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-62.6	-18.1	175.8	-66.6	-62.8	135.7	0	0	113.2	S79 F83 K84 T157	S79-E81 PolarHBondContact O-N 2.84Å; S79-E81 PolarHBondContact OG-N 3.49Å; E81-F83 VanDerWaalsContact C-N 3.31Å; E81-K84 VanDerWaalsContact CD-NZ 3.31Å; E81-K84 PolarHBondContact O-N 3.31Å; E81-K84 IonicContact OE1-NZ 3.43Å; E81-K84 PolarHBondContact OE1-NZ 3.27Å; E81-K84 WeakPolarHBondContact OE2-CE 3.45Å; E81-K84 IonicContact OE2-NZ 2.77Å; E81-K84 PolarHBondContact OE2-NZ 3.44Å; E81-T157 HydrophobicContact CG-CG2 4.48Å
82	N	92	Very high	94.2	Very high	30 Å²	30	47 Å²	47	16%	0.16	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-78.2	-14.1	178.7	-57.5	161.4	0	0	0	113.2	F78 S79 I80 K84 R85	F78-N82 HydrophobicContact CD2-CB 4.03Å; F78-N82 HydrophobicContact CE1-CB 4.19Å; F78-N82 HydrophobicContact CE2-CB 3.62Å; F78-N82 HydrophobicContact CG-CB 4.49Å; F78-N82 HydrophobicContact CZ-CB 3.71Å; S79-N82 PolarHBondContact N-OD1 3.23Å; S79-N82 WeakPolarHBondContact O-CA 3.49Å; S79-N82 VanDerWaalsContact O-CB 3.24Å; S79-N82 WeakPolarHBondContact O-CB 3.49Å; S79-N82 PolarHBondContact O-N 3.29Å; I80-N82 PolarHBondContact O-N 3.15Å; I80-N82 VanDerWaalsContact O-N 3.08Å; N82-K84 PolarHBondContact O-N 3.01Å; N82-R85 PolarHBondContact ND2-NH2 3.24Å; N82-R85 WeakPolarHBondContact O-CB 3.43Å; N82-R85 VanDerWaalsContact O-CG 3.31Å; N82-R85 WeakPolarHBondContact O-CG 3.42Å; N82-R85 PolarHBondContact O-N 2.83Å; N82-R85 PolarHBondContact OD1-NH2 3.46Å
83	F	93.2	Very high	93.9	Very high	68 Å²	68	47.4 Å²	47.4	30%	0.298	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-64.4	-20.2	168.9	-72.5	-68.5	0	0	0	113.1	F78 I80 E81 R85 V90 M94 L126 L127 A155	F78-F83 HydrophobicContact CD1-CE2 4.46Å; F78-F83 HydrophobicContact CD1-CZ 4.5Å; F78-F83 HydrophobicContact CE1-CD1 4.01Å; F78-F83 AromaticContact CE1-CD2 3.92Å; F78-F83 HydrophobicContact CE1-CD2 3.92Å; F78-F83 AromaticContact CE1-CE1 3.84Å; F78-F83 HydrophobicContact CE1-CE1 3.84Å; F78-F83 AromaticContact CE1-CE2 3.73Å; F78-F83 HydrophobicContact CE1-CE2 3.73Å; F78-F83 HydrophobicContact CE1-CG 4.05Å; F78-F83 AromaticContact CE1-CZ 3.7Å; F78-F83 HydrophobicContact CE1-CZ 3.7Å; F78-F83 HydrophobicContact CZ-CD1 4.13Å; F78-F83 HydrophobicContact CZ-CE1 4.23Å; F78-F83 HydrophobicContact CZ-CG 4.34Å; I80-F83 HydrophobicContact CG2-CD2 4.37Å; I80-F83 WeakPolarHBondContact O-CB 3.29Å; I80-F83 VanDerWaalsContact O-CD2 3.3Å; I80-F83 WeakPolarHBondContact O-CD2 3.28Å; I80-F83 PolarHBondContact O-N 3.42Å; I80-F83 VanDerWaalsContact O-N 3.12Å; E81-F83 VanDerWaalsContact C-N 3.31Å; F83-R85 PolarHBondContact O-N 2.96Å; F83-V90 HydrophobicContact CD1-CG1 4.22Å; F83-M94 HydrophobicContact CD1-CE 4.48Å; F83-M94 HydrophobicContact CE1-CE 3.66Å; F83-M94 HydrophobicContact CZ-CE 4.14Å; F83-L126 HydrophobicContact CE2-CB 4.08Å; F83-L126 HydrophobicContact CE2-CD1 4.31Å; F83-L126 HydrophobicContact CZ-CB 4.13Å; F83-L127 HydrophobicContact CZ-CD2 4.13Å; F83-A155 HydrophobicContact CE2-CB 4.03Å; F83-A155 HydrophobicContact CZ-CB 4.3Å
84	K	92	Very high	93.8	Very high	155 Å²	155	47.3 Å²	47.3	67%	0.674	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-76.8	-1.6	176.9	-59.6	175.3	-176.7	168.4	0	113.6	E81 N82	E81-K84 VanDerWaalsContact CD-NZ 3.31Å; E81-K84 PolarHBondContact O-N 3.31Å; E81-K84 IonicContact OE1-NZ 3.43Å; E81-K84 PolarHBondContact OE1-NZ 3.27Å; E81-K84 WeakPolarHBondContact OE2-CE 3.45Å; E81-K84 IonicContact OE2-NZ 2.77Å; E81-K84 PolarHBondContact OE2-NZ 3.44Å; N82-K84 PolarHBondContact O-N 3.01Å
85	R	92.5	Very high	93.6	Very high	67 Å²	67	51.6 Å²	51.6	25%	0.253	26%	0.257	S	S	.	.	S	Bend	trans	-77	173.6	177	-61.2	-171.9	-169.1	170.7	10	110.7	N82 F83 E89 V90	N82-R85 PolarHBondContact ND2-NH2 3.24Å; N82-R85 WeakPolarHBondContact O-CB 3.43Å; N82-R85 VanDerWaalsContact O-CG 3.31Å; N82-R85 WeakPolarHBondContact O-CG 3.42Å; N82-R85 PolarHBondContact O-N 2.83Å; N82-R85 PolarHBondContact OD1-NH2 3.46Å; F83-R85 PolarHBondContact O-N 2.96Å; R85-E89 WeakPolarHBondContact CD-OE1 3.27Å; R85-E89 IonicContact CZ-OE1 3.43Å; R85-E89 IonicContact NE-OE1 3.58Å; R85-E89 IonicContact NH1-OE1 3.05Å; R85-E89 PolarHBondContact NH1-OE1 3.39Å; R85-V90 HydrophobicContact CB-CG2 4.17Å
86	S	92.6	Very high	93.2	Very high	54 Å²	54	52.5 Å²	52.5	38%	0.378	26%	0.262	S	S	.	.			trans	-60.7	145.6	177.3	66.9	0	0	0	0	110.5	E88 E89 V90	S86-E88 WeakPolarHBondContact CB-OE2 3.47Å; S86-E88 PolarHBondContact O-N 3.46Å; S86-E89 PolarHBondContact O-N 3.46Å; S86-V90 PolarHBondContact O-N 2.86Å
87	K	92.6	Very high	93	Very high	148 Å²	148	51.9 Å²	51.9	64%	0.643	26%	0.261	S	S	*	.	H	α-helix	trans	-55.3	-41	-177.1	-177	178.3	177	-175.9	0	111.4	E89 V90 D91	K87-E89 VanDerWaalsContact C-N 3.28Å; K87-E89 PolarHBondContact O-N 3.21Å; K87-V90 PolarHBondContact O-N 3.16Å; K87-D91 WeakPolarHBondContact CE-OD2 3.27Å; K87-D91 WeakPolarHBondContact CG-OD2 3.35Å; K87-D91 WeakPolarHBondContact O-CB 3.43Å; K87-D91 VanDerWaalsContact O-CG 3.24Å; K87-D91 PolarHBondContact O-N 3.14Å
88	E	90.8	Very high	93	Very high	143 Å²	143	53 Å²	53	67%	0.668	26%	0.257	S	S	*	.	H	α-helix	trans	-61.2	-35.9	178.6	-56.2	73.7	-158.3	0	0	112.3	S86 G92	S86-E88 WeakPolarHBondContact CB-OE2 3.47Å; S86-E88 PolarHBondContact O-N 3.46Å; E88-G92 PolarHBondContact O-N 2.86Å; E88-G92 VanDerWaalsContact O-N 3.13Å
89	E	88.3	Confident	92.9	Very high	15 Å²	15	58.6 Å²	58.6	7%	0.07	28%	0.283	C	S	.	.	H	α-helix	trans	-76.3	-39.4	178.2	-171.2	176.2	146	0	0	111	R37 R47 R85 S86 K87 L93	R37-E89 WeakPolarHBondContact CD-OE1 3.39Å; R37-E89 IonicContact NH1-OE1 2.8Å; R37-E89 PolarHBondContact NH1-OE1 2.94Å; R37-E89 IonicContact NH1-OE2 3.33Å; R47-E89 IonicContact NH1-OE2 2.72Å; R47-E89 PolarHBondContact NH1-OE2 3Å; R85-E89 WeakPolarHBondContact CD-OE1 3.27Å; R85-E89 IonicContact CZ-OE1 3.43Å; R85-E89 IonicContact NE-OE1 3.58Å; R85-E89 IonicContact NH1-OE1 3.05Å; R85-E89 PolarHBondContact NH1-OE1 3.39Å; S86-E89 PolarHBondContact O-N 3.46Å; K87-E89 VanDerWaalsContact C-N 3.28Å; K87-E89 PolarHBondContact O-N 3.21Å; E89-L93 HydrophobicContact CG-CD1 4.4Å; E89-L93 VanDerWaalsContact O-CG 3.3Å; E89-L93 WeakPolarHBondContact O-CG 3.31Å; E89-L93 PolarHBondContact O-N 3.28Å
90	V	92.9	Very high	92.7	Very high	16 Å²	16	58.5 Å²	58.5	10%	0.097	28%	0.282	C	S	.	.	H	α-helix	trans	-65.4	-48.4	176.2	177.6	0	0	0	0	110.3	F78 F83 R85 S86 K87 G92 L93 M94	F78-V90 HydrophobicContact CZ-CG1 4.46Å; F83-V90 HydrophobicContact CD1-CG1 4.22Å; R85-V90 HydrophobicContact CB-CG2 4.17Å; S86-V90 PolarHBondContact O-N 2.86Å; K87-V90 PolarHBondContact O-N 3.16Å; V90-G92 VanDerWaalsContact C-N 3.32Å; V90-G92 PolarHBondContact O-N 2.87Å; V90-L93 PolarHBondContact O-N 3.33Å; V90-L93 VanDerWaalsContact O-N 3.09Å; V90-M94 HydrophobicContact CG1-CE 4.09Å; V90-M94 HydrophobicContact CG1-CG 4.32Å; V90-M94 VanDerWaalsContact O-CG 3.3Å; V90-M94 WeakPolarHBondContact O-CG 3.23Å; V90-M94 PolarHBondContact O-N 3.06Å
91	D	92.6	Very high	92.6	Very high	74 Å²	74	57.6 Å²	57.6	40%	0.396	28%	0.277	S	S	.	.	H	α-helix	trans	-58.8	-44.5	178.3	-71.1	-13.8	0	0	0	110.7	K87 L93 M94 D95	K87-D91 WeakPolarHBondContact CE-OD2 3.27Å; K87-D91 WeakPolarHBondContact CG-OD2 3.35Å; K87-D91 WeakPolarHBondContact O-CB 3.43Å; K87-D91 VanDerWaalsContact O-CG 3.24Å; K87-D91 PolarHBondContact O-N 3.14Å; D91-L93 PolarHBondContact O-N 3.46Å; D91-M94 PolarHBondContact O-N 2.9Å; D91-D95 PolarHBondContact O-N 2.97Å
92	G	92	Very high	92.6	Very high	13 Å²	13	55.2 Å²	55.2	13%	0.134	27%	0.271	C	S	.	.	H	α-helix	trans	-60.7	-39.1	174.4	0	0	0	0	0	113.8	Q48 E88 V90 L96	Q48-G92 PolarHBondContact NE2-O 3.04Å; Q48-G92 PolarHBondContact OE1-O 3.35Å; E88-G92 PolarHBondContact O-N 2.86Å; E88-G92 VanDerWaalsContact O-N 3.13Å; V90-G92 VanDerWaalsContact C-N 3.32Å; V90-G92 PolarHBondContact O-N 2.87Å; G92-L96 WeakPolarHBondContact O-CB 3.31Å; G92-L96 PolarHBondContact O-N 2.88Å
93	L	92	Very high	92.5	Very high	18 Å²	18	58.6 Å²	58.6	9%	0.094	28%	0.281	C	S	.	.	H	α-helix	trans	-68.8	-37.5	175.2	-73.3	168.4	0	0	0	112.3	H51 F78 E89 V90 D91 L96 A97	H51-L93 HydrophobicContact CB-CD2 4.18Å; F78-L93 HydrophobicContact CD2-CB 4.42Å; F78-L93 HydrophobicContact CD2-CD1 4Å; F78-L93 HydrophobicContact CE2-CB 4.22Å; F78-L93 HydrophobicContact CE2-CD1 3.68Å; E89-L93 HydrophobicContact CG-CD1 4.4Å; E89-L93 VanDerWaalsContact O-CG 3.3Å; E89-L93 WeakPolarHBondContact O-CG 3.31Å; E89-L93 PolarHBondContact O-N 3.28Å; V90-L93 PolarHBondContact O-N 3.33Å; V90-L93 VanDerWaalsContact O-N 3.09Å; D91-L93 PolarHBondContact O-N 3.46Å; L93-L96 PolarHBondContact O-N 3.18Å; L93-A97 PolarHBondContact O-N 3.32Å
94	M	94.8	Very high	92.3	Very high	5 Å²	5	55.4 Å²	55.4	3%	0.025	27%	0.267	C	S	.	.	H	α-helix	trans	-66.6	-42.1	175.1	-66.3	-56.2	157.7	0	0	111.2	F78 F83 V90 D91 L96 A97 R98 L127 P128 I131 F154	F78-M94 HydrophobicContact CD1-CE 4.27Å; F78-M94 HydrophobicContact CE1-CE 3.71Å; F78-M94 HydrophobicContact CE2-CE 4.13Å; F78-M94 HydrophobicContact CZ-CE 3.62Å; F83-M94 HydrophobicContact CD1-CE 4.48Å; F83-M94 HydrophobicContact CE1-CE 3.66Å; F83-M94 HydrophobicContact CZ-CE 4.14Å; V90-M94 HydrophobicContact CG1-CE 4.09Å; V90-M94 HydrophobicContact CG1-CG 4.32Å; V90-M94 VanDerWaalsContact O-CG 3.3Å; V90-M94 WeakPolarHBondContact O-CG 3.23Å; V90-M94 PolarHBondContact O-N 3.06Å; D91-M94 PolarHBondContact O-N 2.9Å; M94-L96 VanDerWaalsContact C-N 3.34Å; M94-L96 PolarHBondContact O-N 2.86Å; M94-A97 WeakPolarHBondContact O-CB 3.38Å; M94-A97 PolarHBondContact O-N 2.93Å; M94-R98 WeakPolarHBondContact O-CG 3.32Å; M94-R98 PolarHBondContact O-N 2.89Å; M94-L127 HydrophobicContact CE-CD2 3.97Å; M94-L127 HydrophobicContact SD-CD2 4.06Å; M94-P128 HydrophobicContact CG-CG 4.5Å; M94-I131 HydrophobicContact CB-CD1 3.72Å; M94-I131 HydrophobicContact CG-CD1 4.2Å; M94-I131 HydrophobicContact SD-CD1 3.74Å; M94-F154 HydrophobicContact CE-CE1 4.36Å; M94-F154 HydrophobicContact SD-CE1 4.2Å
95	D	94.6	Very high	92.1	Very high	89 Å²	89	49.4 Å²	49.4	48%	0.476	24%	0.242	S	C	.	.	H	α-helix	trans	-63.8	-38.9	174.2	-72.9	-19.8	0	0	0	112.5	D91 R98 Q99	D91-D95 PolarHBondContact O-N 2.97Å; D95-R98 PolarHBondContact O-N 3.22Å; D95-R98 IonicContact OD1-CZ 3.5Å; D95-R98 IonicContact OD1-NH1 2.81Å; D95-R98 PolarHBondContact OD1-NH1 3.18Å; D95-Q99 WeakPolarHBondContact O-CB 3.33Å; D95-Q99 PolarHBondContact O-N 3.49Å
96	L	92	Very high	91.9	Very high	20 Å²	20	55 Å²	55	11%	0.105	27%	0.268	C	S	.	.	H	α-helix	trans	-61.4	-47.4	172.3	-173.5	64.2	0	0	0	110.3	H51 G92 L93 M94 R98 Q99 K100	H51-L96 HydrophobicContact CB-CD2 3.91Å; G92-L96 WeakPolarHBondContact O-CB 3.31Å; G92-L96 PolarHBondContact O-N 2.88Å; L93-L96 PolarHBondContact O-N 3.18Å; M94-L96 VanDerWaalsContact C-N 3.34Å; M94-L96 PolarHBondContact O-N 2.86Å; L96-R98 PolarHBondContact O-N 3.15Å; L96-Q99 PolarHBondContact O-N 2.81Å; L96-K100 HydrophobicContact CD1-CD 4.5Å; L96-K100 VanDerWaalsContact CD1-CE 3.49Å; L96-K100 HydrophobicContact CD1-CG 4.33Å; L96-K100 HydrophobicContact CG-CG 4.41Å; L96-K100 VanDerWaalsContact O-CG 3.27Å; L96-K100 WeakPolarHBondContact O-CG 3.3Å; L96-K100 PolarHBondContact O-N 3.45Å
97	A	93.4	Very high	91.7	Very high	8 Å²	8	54 Å²	54	7%	0.066	26%	0.258	C	S	.	.	H	α-helix	trans	-58.6	-48.7	177	0	0	0	0	0	111.7	L93 M94 Q99 K100 F101 F154	L93-A97 PolarHBondContact O-N 3.32Å; M94-A97 WeakPolarHBondContact O-CB 3.38Å; M94-A97 PolarHBondContact O-N 2.93Å; A97-Q99 VanDerWaalsContact C-N 3.32Å; A97-Q99 PolarHBondContact O-N 2.61Å; A97-K100 PolarHBondContact O-N 3.36Å; A97-K100 VanDerWaalsContact O-N 3.17Å; A97-F101 HydrophobicContact CB-CD2 4.3Å; A97-F101 HydrophobicContact CB-CE2 4.36Å; A97-F101 VanDerWaalsContact O-CD2 3.24Å; A97-F101 WeakPolarHBondContact O-CD2 3.5Å; A97-F101 PolarHBondContact O-N 2.97Å; A97-F154 HydrophobicContact CB-CE1 4.46Å; A97-F154 HydrophobicContact CB-CE2 4.1Å; A97-F154 HydrophobicContact CB-CZ 3.67Å
98	R	94.8	Very high	91.3	Very high	64 Å²	64	50.6 Å²	50.6	24%	0.242	24%	0.244	C	C	.	.	H	α-helix	trans	-51.2	-51.5	173.9	-72.1	170.9	-177.8	114	7.1	111.4	M94 D95 L96 K100 S102 D130 I131 L134	M94-R98 WeakPolarHBondContact O-CG 3.32Å; M94-R98 PolarHBondContact O-N 2.89Å; D95-R98 PolarHBondContact O-N 3.22Å; D95-R98 IonicContact OD1-CZ 3.5Å; D95-R98 IonicContact OD1-NH1 2.81Å; D95-R98 PolarHBondContact OD1-NH1 3.18Å; L96-R98 PolarHBondContact O-N 3.15Å; R98-K100 PolarHBondContact O-N 3.45Å; R98-S102 WeakPolarHBondContact O-CB 3.36Å; R98-S102 PolarHBondContact O-N 2.92Å; R98-S102 PolarHBondContact O-OG 2.91Å; R98-D130 WeakPolarHBondContact CD-OD2 3.35Å; R98-D130 IonicContact CZ-OD2 3.26Å; R98-D130 IonicContact NE-OD1 3.6Å; R98-D130 IonicContact NE-OD2 3.76Å; R98-D130 PolarHBondContact NE-OD2 2.84Å; R98-D130 IonicContact NH2-OD1 3.49Å; R98-D130 PolarHBondContact NH2-OD1 3.28Å; R98-D130 IonicContact NH2-OD2 3.86Å; R98-D130 PolarHBondContact NH2-OD2 2.9Å; R98-I131 HydrophobicContact CG-CD1 3.85Å; R98-I131 HydrophobicContact CG-CG1 3.57Å; R98-L134 HydrophobicContact CB-CD1 4.42Å; R98-L134 HydrophobicContact CG-CD1 4.5Å
99	Q	93.8	Very high	91.1	Very high	118 Å²	118	50.5 Å²	50.5	55%	0.551	24%	0.244	S	C	*	.	H	α-helix	trans	-61.2	-44.1	-178.8	-170.9	-168.1	57.1	0	0	111.5	D95 L96 A97 R103	D95-Q99 WeakPolarHBondContact O-CB 3.33Å; D95-Q99 PolarHBondContact O-N 3.49Å; L96-Q99 PolarHBondContact O-N 2.81Å; A97-Q99 VanDerWaalsContact C-N 3.32Å; A97-Q99 PolarHBondContact O-N 2.61Å; Q99-R103 VanDerWaalsContact O-CB 3.23Å; Q99-R103 WeakPolarHBondContact O-CB 3.37Å; Q99-R103 PolarHBondContact O-N 2.81Å
100	K	91.9	Very high	91	Very high	8 Å²	8	51.6 Å²	51.6	4%	0.035	25%	0.25	C	S	.	.	H	α-helix	trans	-72.9	-43.7	-176.8	-61.7	-50.7	-177.5	169.5	0	112.3	W3 F55 D56 L96 A97 R98 R103 L104	W3-K100 HydrophobicContact CZ2-CB 3.98Å; W3-K100 PolarHBondContact NE1-O 3.32Å; F55-K100 HydrophobicContact CD1-CD 3.61Å; F55-K100 HydrophobicContact CD1-CG 4.2Å; F55-K100 HydrophobicContact CD2-CB 4.35Å; F55-K100 HydrophobicContact CD2-CD 4.07Å; F55-K100 HydrophobicContact CD2-CG 3.7Å; F55-K100 HydrophobicContact CE1-CD 3.49Å; F55-K100 VanDerWaalsContact CE1-CD 3.49Å; F55-K100 HydrophobicContact CE1-CG 4.12Å; F55-K100 HydrophobicContact CE2-CB 3.8Å; F55-K100 HydrophobicContact CE2-CD 3.96Å; F55-K100 HydrophobicContact CE2-CG 3.6Å; F55-K100 HydrophobicContact CG-CD 3.9Å; F55-K100 VanDerWaalsContact CG-CE 3.46Å; F55-K100 HydrophobicContact CG-CG 4Å; F55-K100 HydrophobicContact CZ-CB 4Å; F55-K100 HydrophobicContact CZ-CD 3.67Å; F55-K100 HydrophobicContact CZ-CG 3.82Å; D56-K100 IonicContact OD1-NZ 3.5Å; L96-K100 HydrophobicContact CD1-CD 4.5Å; L96-K100 VanDerWaalsContact CD1-CE 3.49Å; L96-K100 HydrophobicContact CD1-CG 4.33Å; L96-K100 HydrophobicContact CG-CG 4.41Å; L96-K100 VanDerWaalsContact O-CG 3.27Å; L96-K100 WeakPolarHBondContact O-CG 3.3Å; L96-K100 PolarHBondContact O-N 3.45Å; A97-K100 PolarHBondContact O-N 3.36Å; A97-K100 VanDerWaalsContact O-N 3.17Å; R98-K100 PolarHBondContact O-N 3.45Å; K100-R103 PolarHBondContact O-N 2.63Å; K100-L104 WeakPolarHBondContact O-CB 3.45Å; K100-L104 PolarHBondContact O-N 3.41Å
101	F	92.9	Very high	90.7	Very high	4 Å²	4	51 Å²	51	2%	0.018	25%	0.246	C	C	.	.	H	α-helix	trans	-67.3	-41.6	176	-74.6	-66.3	0	0	0	111.8	W3 A97 R103 L104 L105 V120 L134 I135 A138	W3-F101 HydrophobicContact CH2-CE1 4.19Å; W3-F101 HydrophobicContact CZ2-CD1 4.34Å; W3-F101 HydrophobicContact CZ2-CE1 4.31Å; A97-F101 HydrophobicContact CB-CD2 4.3Å; A97-F101 HydrophobicContact CB-CE2 4.36Å; A97-F101 VanDerWaalsContact O-CD2 3.24Å; A97-F101 WeakPolarHBondContact O-CD2 3.5Å; A97-F101 PolarHBondContact O-N 2.97Å; F101-R103 PolarHBondContact O-N 3.22Å; F101-L104 HydrophobicContact CD1-CD1 4.18Å; F101-L104 WeakPolarHBondContact O-CB 3.41Å; F101-L104 PolarHBondContact O-N 3.28Å; F101-L104 VanDerWaalsContact O-N 3.16Å; F101-L105 WeakPolarHBondContact O-CG 3.35Å; F101-L105 PolarHBondContact O-N 3.3Å; F101-L105 VanDerWaalsContact O-N 3.13Å; F101-V120 HydrophobicContact CE1-CG2 3.87Å; F101-V120 HydrophobicContact CZ-CG2 3.93Å; F101-L134 HydrophobicContact CB-CB 4.02Å; F101-I135 HydrophobicContact CD1-CG1 4.27Å; F101-I135 HydrophobicContact CD2-CG1 3.95Å; F101-I135 HydrophobicContact CE1-CG1 4.02Å; F101-I135 HydrophobicContact CE2-CD1 4.04Å; F101-I135 HydrophobicContact CE2-CG1 3.69Å; F101-I135 HydrophobicContact CG-CG1 4.25Å; F101-I135 HydrophobicContact CZ-CD1 4.27Å; F101-I135 HydrophobicContact CZ-CG1 3.73Å; F101-A138 HydrophobicContact CD1-CB 4.29Å
102	S	92.9	Very high	90.5	Very high	43 Å²	43	53.3 Å²	53.3	30%	0.301	25%	0.253	S	S	.	.	H	α-helix	trans	-59	-38.4	173.2	-62.3	0	0	0	0	112.1	R98 K106	R98-S102 WeakPolarHBondContact O-CB 3.36Å; R98-S102 PolarHBondContact O-N 2.92Å; R98-S102 PolarHBondContact O-OG 2.91Å; S102-K106 PolarHBondContact O-N 3.09Å
103	R	90.1	Very high	90.3	Very high	100 Å²	100	58.7 Å²	58.7	38%	0.377	27%	0.273	S	S	.	.	H	α-helix	trans	-70.9	-38.6	177.2	-176.3	171.4	-177.8	147.2	4.1	112.6	M1 Q99 K100 F101 L105 K106 E107	M1-R103 VanDerWaalsContact N-NH1 3.2Å; M1-R103 WeakPolarHBondContact O-CD 3.32Å; M1-R103 PolarHBondContact O-NE 3.04Å; Q99-R103 VanDerWaalsContact O-CB 3.23Å; Q99-R103 WeakPolarHBondContact O-CB 3.37Å; Q99-R103 PolarHBondContact O-N 2.81Å; K100-R103 PolarHBondContact O-N 2.63Å; F101-R103 PolarHBondContact O-N 3.22Å; R103-L105 VanDerWaalsContact C-N 3.26Å; R103-L105 PolarHBondContact O-N 3.47Å; R103-K106 WeakPolarHBondContact O-CB 3.31Å; R103-K106 PolarHBondContact O-N 2.72Å; R103-E107 HydrophobicContact CG-CG 4.49Å; R103-E107 WeakPolarHBondContact CG-OE1 3.47Å; R103-E107 IonicContact CZ-OE1 3.24Å; R103-E107 IonicContact NE-OE1 2.79Å; R103-E107 PolarHBondContact NE-OE1 2.97Å; R103-E107 IonicContact NH2-OE1 3.48Å; R103-E107 PolarHBondContact NH2-OE1 3.46Å; R103-E107 WeakPolarHBondContact O-CG 3.4Å; R103-E107 PolarHBondContact O-N 3.3Å
104	L	88.8	Confident	90	Very high	1 Å²	1	59.8 Å²	59.8	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-55.2	-44.9	174.7	-176.5	163.9	0	0	0	110.8	W3 K100 F101 K106 E107 Q108 L111 I118 A138	W3-L104 HydrophobicContact CD2-CD1 3.85Å; W3-L104 HydrophobicContact CD2-CG 4.46Å; W3-L104 HydrophobicContact CE3-CD1 4.19Å; W3-L104 HydrophobicContact CG-CB 4.39Å; W3-L104 HydrophobicContact CG-CD1 4.35Å; W3-L104 HydrophobicContact CG-CG 4.46Å; W3-L104 HydrophobicContact CH2-CD1 4.12Å; W3-L104 HydrophobicContact CZ2-CD1 3.77Å; W3-L104 HydrophobicContact CZ3-CD1 4.32Å; K100-L104 WeakPolarHBondContact O-CB 3.45Å; K100-L104 PolarHBondContact O-N 3.41Å; F101-L104 HydrophobicContact CD1-CD1 4.18Å; F101-L104 WeakPolarHBondContact O-CB 3.41Å; F101-L104 PolarHBondContact O-N 3.28Å; F101-L104 VanDerWaalsContact O-N 3.16Å; L104-K106 VanDerWaalsContact C-N 3.26Å; L104-K106 PolarHBondContact O-N 3.28Å; L104-E107 CarbonylContact O-C 3.54Å; L104-E107 PolarHBondContact O-N 3.34Å; L104-Q108 PolarHBondContact O-N 3.34Å; L104-L111 HydrophobicContact CD2-CD1 3.51Å; L104-L111 HydrophobicContact CG-CD1 3.86Å; L104-I118 HydrophobicContact CD1-CD1 3.29Å; L104-I118 HydrophobicContact CD1-CG2 4.37Å; L104-I118 HydrophobicContact CD2-CD1 4.12Å; L104-I118 HydrophobicContact CG-CD1 3.8Å; L104-A138 HydrophobicContact CD1-CB 4.31Å; L104-A138 HydrophobicContact CD2-CB 3.64Å
105	L	87.4	Confident	89.7	Confident	29 Å²	29	59.8 Å²	59.8	15%	0.152	28%	0.278	C	S	.	.	H	α-helix	trans	-63.1	-30.9	177	-65.3	173.1	0	0	0	113.1	F101 R103 E107 Q108 L134 Q137 A138	F101-L105 WeakPolarHBondContact O-CG 3.35Å; F101-L105 PolarHBondContact O-N 3.3Å; F101-L105 VanDerWaalsContact O-N 3.13Å; R103-L105 VanDerWaalsContact C-N 3.26Å; R103-L105 PolarHBondContact O-N 3.47Å; L105-E107 VanDerWaalsContact C-N 3.29Å; L105-Q108 VanDerWaalsContact O-CG 3.3Å; L105-Q108 WeakPolarHBondContact O-CG 3.4Å; L105-L134 HydrophobicContact CD1-CD2 3.79Å; L105-Q137 HydrophobicContact CD1-CB 4.01Å; L105-Q137 HydrophobicContact CD2-CB 3.84Å; L105-A138 HydrophobicContact CD2-CB 4.21Å
106	K	89.8	Confident	89.6	Confident	184 Å²	184	56.4 Å²	56.4	80%	0.8	26%	0.261	S	S	*	.	H	α-helix	trans	-75.9	-16.2	173.6	-65.5	178.4	-177.5	-176.4	0	113.3	S102 R103 L104	S102-K106 PolarHBondContact O-N 3.09Å; R103-K106 WeakPolarHBondContact O-CB 3.31Å; R103-K106 PolarHBondContact O-N 2.72Å; L104-K106 VanDerWaalsContact C-N 3.26Å; L104-K106 PolarHBondContact O-N 3.28Å
107	E	87.3	Confident	89.7	Confident	33 Å²	33	55.8 Å²	55.8	15%	0.154	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	21.1	-175.6	-66.8	174.3	179.1	0	0	112.3	S2 W3 R103 L104 L105 E109 N110 L111	S2-E107 VanDerWaalsContact CA-OE1 3.27Å; S2-E107 WeakPolarHBondContact CA-OE1 3.36Å; S2-E107 WeakPolarHBondContact CA-OE2 3.41Å; S2-E107 VanDerWaalsContact CB-CD 3.47Å; S2-E107 VanDerWaalsContact CB-OE1 3.22Å; S2-E107 WeakPolarHBondContact CB-OE1 3.29Å; S2-E107 WeakPolarHBondContact CB-OE2 3.43Å; S2-E107 PolarHBondContact OG-OE1 2.94Å; S2-E107 PolarHBondContact OG-OE2 3.43Å; W3-E107 PolarHBondContact N-OE2 3.38Å; R103-E107 HydrophobicContact CG-CG 4.49Å; R103-E107 WeakPolarHBondContact CG-OE1 3.47Å; R103-E107 IonicContact CZ-OE1 3.24Å; R103-E107 IonicContact NE-OE1 2.79Å; R103-E107 PolarHBondContact NE-OE1 2.97Å; R103-E107 IonicContact NH2-OE1 3.48Å; R103-E107 PolarHBondContact NH2-OE1 3.46Å; R103-E107 WeakPolarHBondContact O-CG 3.4Å; R103-E107 PolarHBondContact O-N 3.3Å; L104-E107 CarbonylContact O-C 3.54Å; L104-E107 PolarHBondContact O-N 3.34Å; L105-E107 VanDerWaalsContact C-N 3.29Å; E107-E109 VanDerWaalsContact C-N 3.31Å; E107-E109 PolarHBondContact O-N 3.39Å; E107-N110 WeakPolarHBondContact O-CB 3.48Å; E107-N110 PolarHBondContact O-N 3.38Å; E107-L111 PolarHBondContact O-N 2.98Å; E107-L111 VanDerWaalsContact O-N 3.17Å
108	Q	84.5	Confident	89.8	Confident	78 Å²	78	55.5 Å²	55.5	36%	0.364	26%	0.255	S	S	.	.	H	α-helix	trans	-53.2	-40.6	-177.3	-81.3	179.1	17.3	0	0	114.1	L104 L105 N110 L111 K112	L104-Q108 PolarHBondContact O-N 3.34Å; L105-Q108 VanDerWaalsContact O-CG 3.3Å; L105-Q108 WeakPolarHBondContact O-CG 3.4Å; Q108-N110 VanDerWaalsContact C-N 3.26Å; Q108-N110 PolarHBondContact O-N 2.83Å; Q108-L111 WeakPolarHBondContact O-CB 3.24Å; Q108-L111 PolarHBondContact O-N 3.28Å; Q108-K112 WeakPolarHBondContact O-CB 3.22Å; Q108-K112 PolarHBondContact O-N 2.89Å
109	E	85.9	Confident	89.9	Confident	141 Å²	141	54.5 Å²	54.5	66%	0.659	25%	0.251	S	S	*	.	H	α-helix	trans	-61	-36	177.8	-70.9	-57.1	134	0	0	112.4	E107 K112 K113	E107-E109 VanDerWaalsContact C-N 3.31Å; E107-E109 PolarHBondContact O-N 3.39Å; E109-K112 PolarHBondContact O-N 3.4Å; E109-K113 WeakPolarHBondContact O-CB 3.05Å; E109-K113 PolarHBondContact O-N 3Å
110	N	85.5	Confident	90.1	Very high	38 Å²	38	49.2 Å²	49.2	20%	0.203	23%	0.228	C	C	.	.	H	α-helix	trans	-71.5	-40.8	177	-165.9	1.5	0	0	0	111.4	E107 Q108 K112 K113 H114	E107-N110 WeakPolarHBondContact O-CB 3.48Å; E107-N110 PolarHBondContact O-N 3.38Å; Q108-N110 VanDerWaalsContact C-N 3.26Å; Q108-N110 PolarHBondContact O-N 2.83Å; N110-K112 VanDerWaalsContact C-N 3.32Å; N110-K112 PolarHBondContact O-N 3.26Å; N110-K113 PolarHBondContact O-N 2.91Å; N110-H114 PolarHBondContact O-N 3.39Å; N110-H114 VanDerWaalsContact O-N 3.16Å; N110-H114 PolarHBondContact O-ND1 3.08Å; N110-H114 PolarHBondContact OD1-CE1 2.98Å; N110-H114 PolarHBondContact OD1-ND1 3.1Å
111	L	86.9	Confident	90.4	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.01	23%	0.229	C	C	.	.	H	α-helix	trans	-60.4	-42.5	173.7	-61.4	173.2	0	0	0	111.2	I4 L104 E107 Q108 H114 G115 V116 I118 T142 Y145	I4-L111 HydrophobicContact CD1-CD2 3.71Å; I4-L111 HydrophobicContact CG1-CD2 4.14Å; L104-L111 HydrophobicContact CD2-CD1 3.51Å; L104-L111 HydrophobicContact CG-CD1 3.86Å; E107-L111 PolarHBondContact O-N 2.98Å; E107-L111 VanDerWaalsContact O-N 3.17Å; Q108-L111 WeakPolarHBondContact O-CB 3.24Å; Q108-L111 PolarHBondContact O-N 3.28Å; L111-H114 CarbonylContact O-C 3.57Å; L111-H114 PolarHBondContact O-N 2.94Å; L111-G115 WeakPolarHBondContact O-CA 3.44Å; L111-G115 PolarHBondContact O-N 3.05Å; L111-V116 HydrophobicContact CD2-CB 4.27Å; L111-V116 PolarHBondContact O-N 2.99Å; L111-I118 HydrophobicContact CD1-CD1 4.31Å; L111-I118 HydrophobicContact CD2-CD1 3.91Å; L111-T142 HydrophobicContact CB-CG2 4.48Å; L111-T142 HydrophobicContact CD1-CG2 3.93Å; L111-Y145 HydrophobicContact CB-CE2 4.08Å
112	K	88.9	Confident	90.7	Very high	123 Å²	123	49.8 Å²	49.8	54%	0.535	23%	0.233	S	C	.	.	H	α-helix	trans	-65.6	-46.8	177.7	-173.1	179.8	178.1	-176.6	0	112.2	Q108 E109 N110 H114 G115 Y145	Q108-K112 WeakPolarHBondContact O-CB 3.22Å; Q108-K112 PolarHBondContact O-N 2.89Å; E109-K112 PolarHBondContact O-N 3.4Å; N110-K112 VanDerWaalsContact C-N 3.32Å; N110-K112 PolarHBondContact O-N 3.26Å; K112-H114 VanDerWaalsContact C-N 3.27Å; K112-H114 PolarHBondContact O-N 3.39Å; K112-G115 PolarHBondContact O-N 3.22Å; K112-G115 VanDerWaalsContact O-N 3.11Å; K112-Y145 HydrophobicContact CB-CE2 4.2Å; K112-Y145 HydrophobicContact CG-CE1 4.3Å
113	K	88	Confident	90.9	Very high	127 Å²	127	49.8 Å²	49.8	55%	0.552	23%	0.23	S	C	*	.	H	α-helix	trans	-52.8	-47	176.3	179.5	-176.6	175	-170.7	0	111.2	E6 E109 N110 K147	E6-K113 IonicContact OE1-NZ 3.62Å; E6-K113 PolarHBondContact OE1-NZ 2.72Å; E6-K113 IonicContact OE2-NZ 3.67Å; E109-K113 WeakPolarHBondContact O-CB 3.05Å; E109-K113 PolarHBondContact O-N 3Å; N110-K113 PolarHBondContact O-N 2.91Å; K113-K147 PolarHBondContact O-NZ 3.05Å
114	H	85	Confident	91.2	Very high	41 Å²	41	45.4 Å²	45.4	19%	0.19	21%	0.214	C	C	.	.	H	α-helix	trans	-88.1	-6.4	-178.8	-65.3	91.1	0	0	0	114	I4 E6 N110 L111 K112 V116 K147	I4-H114 HydrophobicContact CD1-CB 3.92Å; E6-H114 IonicContact OE1-CE1 2.79Å; E6-H114 PolarHBondContact OE1-CE1 3.41Å; E6-H114 IonicContact OE1-NE2 3.94Å; N110-H114 PolarHBondContact O-N 3.39Å; N110-H114 VanDerWaalsContact O-N 3.16Å; N110-H114 PolarHBondContact O-ND1 3.08Å; N110-H114 PolarHBondContact OD1-CE1 2.98Å; N110-H114 PolarHBondContact OD1-ND1 3.1Å; L111-H114 CarbonylContact O-C 3.57Å; L111-H114 PolarHBondContact O-N 2.94Å; K112-H114 VanDerWaalsContact C-N 3.27Å; K112-H114 PolarHBondContact O-N 3.39Å; H114-V116 HydrophobicContact CB-CG2 3.8Å; H114-K147 WeakPolarHBondContact O-CB 3.29Å; H114-K147 WeakPolarHBondContact O-CD 3.28Å
115	G	89.2	Confident	91.5	Very high	5 Å²	5	49.1 Å²	49.1	5%	0.052	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	59	43.1	-179.8	0	0	0	0	0	113.5	L111 K112 K147 C148	L111-G115 WeakPolarHBondContact O-CA 3.44Å; L111-G115 PolarHBondContact O-N 3.05Å; K112-G115 PolarHBondContact O-N 3.22Å; K112-G115 VanDerWaalsContact O-N 3.11Å; G115-K147 PolarHBondContact O-N 3.04Å; G115-C148 PolarHBondContact O-N 2.88Å; G115-C148 VanDerWaalsContact O-N 3.1Å
116	V	91.4	Very high	91.9	Very high	18 Å²	18	51.5 Å²	51.5	11%	0.109	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	107.5	-176.8	-177.4	0	0	0	0	111.4	I4 L111 H114 I118 T142 Y145 C148	I4-V116 HydrophobicContact CD1-CB 4.25Å; I4-V116 HydrophobicContact CD1-CG2 3.56Å; I4-V116 HydrophobicContact CG1-CG2 4.36Å; L111-V116 HydrophobicContact CD2-CB 4.27Å; L111-V116 PolarHBondContact O-N 2.99Å; H114-V116 HydrophobicContact CB-CG2 3.8Å; V116-I118 HydrophobicContact CG1-CG1 4.04Å; V116-T142 WeakPolarHBondContact O-CB 3.45Å; V116-Y145 WeakPolarHBondContact O-CD2 3.45Å; V116-C148 CarbonylContact C-O 3.58Å; V116-C148 WeakPolarHBondContact CA-O 3.41Å; V116-C148 HydrophobicContact CG2-CB 4.27Å
117	C	95.4	Very high	92.3	Very high	6 Å²	6	43.1 Å²	43.1	4%	0.041	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	122.4	171.1	-176.6	0	0	0	0	110.1	Y145 C148 F149 L150	C117-Y145 WeakPolarHBondContact CB-O 3.48Å; C117-C148 PolarHBondContact N-O 2.66Å; C117-F149 HydrophobicContact CB-CD1 3.54Å; C117-F149 HydrophobicContact CB-CE1 3.81Å; C117-F149 WeakPolarHBondContact O-CA 3.32Å; C117-L150 PolarHBondContact O-N 2.9Å
118	I	95.8	Very high	92.7	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.01	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	125.8	179.5	-59.6	-179.7	0	0	0	108.7	W3 L104 L111 V116 T142 L150	W3-I118 HydrophobicContact CE3-CD1 4.45Å; L104-I118 HydrophobicContact CD1-CD1 3.29Å; L104-I118 HydrophobicContact CD1-CG2 4.37Å; L104-I118 HydrophobicContact CD2-CD1 4.12Å; L104-I118 HydrophobicContact CG-CD1 3.8Å; L111-I118 HydrophobicContact CD1-CD1 4.31Å; L111-I118 HydrophobicContact CD2-CD1 3.91Å; V116-I118 HydrophobicContact CG1-CG1 4.04Å; I118-T142 PolarHBondContact N-OG1 2.79Å; I118-T142 PolarHBondContact O-OG1 3.17Å; I118-L150 WeakPolarHBondContact CA-O 3.46Å
119	R	97.3	Very high	93.2	Very high	43 Å²	43	44.4 Å²	44.4	16%	0.162	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	137.6	175.8	-50.4	-175.6	-169	154.9	-7.3	108.2	E72 L121 F149 L150 N151 V152 N196 S197	E72-R119 IonicContact OE1-NH1 3.57Å; R119-L121 HydrophobicContact CB-CD2 4.14Å; R119-F149 VanDerWaalsContact NH2-CD1 3.3Å; R119-L150 PolarHBondContact N-O 3.5Å; R119-N151 WeakPolarHBondContact CB-OD1 3.45Å; R119-N151 WeakPolarHBondContact CD-OD1 3.48Å; R119-N151 CarbonylContact O-C 3.59Å; R119-N151 WeakPolarHBondContact O-CA 3.2Å; R119-V152 PolarHBondContact O-N 3.38Å; R119-N196 VanDerWaalsContact NH1-C 3.28Å; R119-N196 PolarHBondContact NH1-O 3.5Å; R119-N196 PolarHBondContact NH2-O 2.83Å; R119-S197 PolarHBondContact NH1-OG 2.85Å
120	V	97.9	Very high	93.6	Very high	8 Å²	8	40.8 Å²	40.8	5%	0.048	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	122.1	174.8	-173.6	0	0	0	0	107.8	F101 L124 I135 V139 V152 F154	F101-V120 HydrophobicContact CE1-CG2 3.87Å; F101-V120 HydrophobicContact CZ-CG2 3.93Å; V120-L124 HydrophobicContact CG1-CD2 3.84Å; V120-I135 HydrophobicContact CB-CG2 3.65Å; V120-I135 HydrophobicContact CG1-CD1 4.12Å; V120-I135 HydrophobicContact CG1-CG1 4.5Å; V120-I135 HydrophobicContact CG1-CG2 4.05Å; V120-I135 HydrophobicContact CG2-CG1 4.4Å; V120-I135 HydrophobicContact CG2-CG2 3.68Å; V120-V139 HydrophobicContact CB-CG2 4.43Å; V120-V139 HydrophobicContact CG2-CG2 4.09Å; V120-V152 CarbonylContact C-O 3.56Å; V120-V152 WeakPolarHBondContact CA-O 3.33Å; V120-V152 WeakPolarHBondContact CG1-O 3.24Å; V120-V152 HydrophobicContact CG2-CB 4.47Å; V120-F154 HydrophobicContact CG1-CB 3.83Å
121	L	98.3	Very high	94.1	Very high	13 Å²	13	39 Å²	39	7%	0.068	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	127.8	-170.1	-48.7	-176.3	0	0	0	109.8	R119 N151 V152 C153 F154 Y193 T194	R119-L121 HydrophobicContact CB-CD2 4.14Å; L121-N151 HydrophobicContact CD1-CB 3.86Å; L121-N151 HydrophobicContact CG-CB 4.35Å; L121-V152 PolarHBondContact N-O 3.42Å; L121-C153 CarbonylContact O-C 3.41Å; L121-C153 VanDerWaalsContact O-CA 3.24Å; L121-C153 WeakPolarHBondContact O-CA 3.4Å; L121-F154 PolarHBondContact O-N 2.91Å; L121-Y193 WeakPolarHBondContact CD2-O 3.47Å; L121-T194 HydrophobicContact CD1-CG2 3.63Å
122	G	97.6	Very high	94.6	Very high	10 Å²	10	40 Å²	40	10%	0.103	21%	0.207	C	C	.	.	S	Bend	trans	154.4	-173.8	178	0	0	0	0	0	112.6	L124 F154	G122-L124 PolarHBondContact O-N 3.2Å; G122-F154 WeakPolarHBondContact CA-O 3.37Å
123	D	97.4	Very high	94.9	Very high	44 Å²	44	36 Å²	36	24%	0.235	19%	0.19	C	C	.	.			trans	-83.8	72.9	174.3	-165.2	-0.9	0	0	0	109.2	I80 P125 L126 A155	I80-D123 HydrophobicContact CD1-CB 4.28Å; D123-P125 VanDerWaalsContact C-N 3.33Å; D123-P125 WeakPolarHBondContact OD1-CD 3.37Å; D123-L126 HydrophobicContact CB-CD1 3.81Å; D123-L126 HydrophobicContact CB-CG 4.1Å; D123-L126 WeakPolarHBondContact O-CB 3.46Å; D123-L126 WeakPolarHBondContact O-CG 3.43Å; D123-L126 PolarHBondContact O-N 3.42Å; D123-L126 VanDerWaalsContact O-N 3.1Å; D123-A155 PolarHBondContact N-O 3.44Å
124	L	96.4	Very high	95.3	Very high	8 Å²	8	31.3 Å²	31.3	4%	0.042	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-58.7	-32.4	-173.8	-53.7	-175.2	0	0	0	114.4	V120 G122 L126 L127 Q132 I135 F324 F325	V120-L124 HydrophobicContact CG1-CD2 3.84Å; G122-L124 PolarHBondContact O-N 3.2Å; L124-L126 PolarHBondContact O-N 3.43Å; L124-L126 VanDerWaalsContact O-N 3.08Å; L124-L127 HydrophobicContact CD2-CD1 4.02Å; L124-L127 VanDerWaalsContact O-CB 3.29Å; L124-L127 WeakPolarHBondContact O-CB 3.12Å; L124-L127 PolarHBondContact O-N 3.49Å; L124-Q132 WeakPolarHBondContact O-CG 3.15Å; L124-I135 HydrophobicContact CD1-CG2 4.16Å; L124-F324 HydrophobicContact CB-CE1 4.4Å; L124-F324 HydrophobicContact CB-CZ 4.34Å; L124-F324 HydrophobicContact CD1-CE1 4.27Å; L124-F325 HydrophobicContact CD1-CE1 3.79Å; L124-F325 HydrophobicContact CD1-CZ 3.98Å
125	P	96.1	Very high	95.8	Very high	78 Å²	78	29.4 Å²	29.4	51%	0.506	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-55.6	-20.7	172.4	-29.9	37.3	0	0	0	115.3	D123 L127 Q132 F324	D123-P125 VanDerWaalsContact C-N 3.33Å; D123-P125 WeakPolarHBondContact OD1-CD 3.37Å; P125-L127 PolarHBondContact O-N 2.96Å; P125-Q132 PolarHBondContact O-NE2 3.08Å; P125-F324 HydrophobicContact CG-CE2 4.15Å; P125-F324 HydrophobicContact CG-CZ 4.23Å
126	L	96	Very high	96.1	Very high	80 Å²	80	29.1 Å²	29.1	42%	0.419	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	-72.2	-13.3	174.6	-61	179.1	0	0	0	113.5	I80 F83 D123 L124	I80-L126 HydrophobicContact CD1-CD1 4.28Å; I80-L126 HydrophobicContact CG1-CD1 4.13Å; I80-L126 HydrophobicContact CG2-CD1 4.29Å; F83-L126 HydrophobicContact CE2-CB 4.08Å; F83-L126 HydrophobicContact CE2-CD1 4.31Å; F83-L126 HydrophobicContact CZ-CB 4.13Å; D123-L126 HydrophobicContact CB-CD1 3.81Å; D123-L126 HydrophobicContact CB-CG 4.1Å; D123-L126 WeakPolarHBondContact O-CB 3.46Å; D123-L126 WeakPolarHBondContact O-CG 3.43Å; D123-L126 PolarHBondContact O-N 3.42Å; D123-L126 VanDerWaalsContact O-N 3.1Å; L124-L126 PolarHBondContact O-N 3.43Å; L124-L126 VanDerWaalsContact O-N 3.08Å
127	L	96.6	Very high	96.3	Very high	7 Å²	7	31.9 Å²	31.9	4%	0.037	17%	0.171	C	C	.	.	S	Bend	trans	-84.7	156.9	-178.3	-60.6	172.3	0	0	0	111.5	F83 M94 L124 P125 L129 I131 Q132 I135 F154 A155	F83-L127 HydrophobicContact CZ-CD2 4.13Å; M94-L127 HydrophobicContact CE-CD2 3.97Å; M94-L127 HydrophobicContact SD-CD2 4.06Å; L124-L127 HydrophobicContact CD2-CD1 4.02Å; L124-L127 VanDerWaalsContact O-CB 3.29Å; L124-L127 WeakPolarHBondContact O-CB 3.12Å; L124-L127 PolarHBondContact O-N 3.49Å; P125-L127 PolarHBondContact O-N 2.96Å; L127-L129 PolarHBondContact O-N 2.83Å; L127-I131 HydrophobicContact CD1-CG2 4.34Å; L127-Q132 HydrophobicContact CB-CG 3.99Å; L127-Q132 PolarHBondContact O-NE2 3.38Å; L127-I135 HydrophobicContact CD1-CD1 3.74Å; L127-F154 HydrophobicContact CD1-CD1 3.71Å; L127-F154 HydrophobicContact CD1-CE1 4.21Å; L127-F154 HydrophobicContact CD2-CD1 3.67Å; L127-F154 HydrophobicContact CD2-CE1 3.55Å; L127-F154 HydrophobicContact CG-CD1 4.33Å; L127-A155 HydrophobicContact CD2-CB 3.93Å; L127-A155 HydrophobicContact CG-CB 4.11Å
128	P	96.1	Very high	96.3	Very high	44 Å²	44	31.6 Å²	31.6	29%	0.286	17%	0.169	S	C	.	.			trans	-52.9	138.6	166.3	-27.2	36.3	0	0	0	112.2	M94 D130 I131 Q132	M94-P128 HydrophobicContact CG-CG 4.5Å; P128-D130 VanDerWaalsContact C-N 3.27Å; P128-D130 WeakPolarHBondContact CB-OD1 3.4Å; P128-D130 PolarHBondContact O-N 3.44Å; P128-I131 HydrophobicContact CB-CD1 4.34Å; P128-I131 HydrophobicContact CB-CG1 4.34Å; P128-I131 HydrophobicContact CG-CD1 4.13Å; P128-I131 WeakPolarHBondContact O-CB 3.29Å; P128-I131 PolarHBondContact O-N 3.03Å; P128-Q132 PolarHBondContact O-N 2.86Å; P128-Q132 VanDerWaalsContact O-N 3.08Å
129	L	95.3	Very high	96.3	Very high	95 Å²	95	32.4 Å²	32.4	50%	0.497	17%	0.174	S	C	.	.	H	α-helix	trans	-54.8	-42.2	-174.5	-178.4	63.4	0	0	0	112.4	L127 I131 Q132 E133 L328	L127-L129 PolarHBondContact O-N 2.83Å; L129-I131 PolarHBondContact O-N 3.41Å; L129-Q132 WeakPolarHBondContact O-CA 3.29Å; L129-Q132 WeakPolarHBondContact O-CB 3.35Å; L129-Q132 PolarHBondContact O-N 3.21Å; L129-E133 WeakPolarHBondContact O-CG 3.38Å; L129-E133 PolarHBondContact O-N 2.92Å; L129-L328 HydrophobicContact CD1-CD2 3.93Å
130	D	94.8	Very high	96.1	Very high	65 Å²	65	32.2 Å²	32.2	35%	0.348	18%	0.176	S	C	.	.	H	α-helix	trans	-60.9	-32.6	178.5	66.1	-56.4	0	0	0	112.9	R98 P128 L134	R98-D130 WeakPolarHBondContact CD-OD2 3.35Å; R98-D130 IonicContact CZ-OD2 3.26Å; R98-D130 IonicContact NE-OD1 3.6Å; R98-D130 IonicContact NE-OD2 3.76Å; R98-D130 PolarHBondContact NE-OD2 2.84Å; R98-D130 IonicContact NH2-OD1 3.49Å; R98-D130 PolarHBondContact NH2-OD1 3.28Å; R98-D130 IonicContact NH2-OD2 3.86Å; R98-D130 PolarHBondContact NH2-OD2 2.9Å; P128-D130 VanDerWaalsContact C-N 3.27Å; P128-D130 WeakPolarHBondContact CB-OD1 3.4Å; P128-D130 PolarHBondContact O-N 3.44Å; D130-L134 WeakPolarHBondContact O-CG 3.47Å; D130-L134 PolarHBondContact O-N 3.14Å
131	I	95.8	Very high	95.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-75.5	-39.1	174	-62.7	-178.8	0	0	0	110.7	M94 R98 L127 P128 L129 E133 L134 I135	M94-I131 HydrophobicContact CB-CD1 3.72Å; M94-I131 HydrophobicContact CG-CD1 4.2Å; M94-I131 HydrophobicContact SD-CD1 3.74Å; R98-I131 HydrophobicContact CG-CD1 3.85Å; R98-I131 HydrophobicContact CG-CG1 3.57Å; L127-I131 HydrophobicContact CD1-CG2 4.34Å; P128-I131 HydrophobicContact CB-CD1 4.34Å; P128-I131 HydrophobicContact CB-CG1 4.34Å; P128-I131 HydrophobicContact CG-CD1 4.13Å; P128-I131 WeakPolarHBondContact O-CB 3.29Å; P128-I131 PolarHBondContact O-N 3.03Å; L129-I131 PolarHBondContact O-N 3.41Å; I131-E133 VanDerWaalsContact C-N 3.31Å; I131-E133 PolarHBondContact O-N 2.96Å; I131-L134 PolarHBondContact O-N 3.06Å; I131-I135 HydrophobicContact CG2-CD1 3.7Å; I131-I135 HydrophobicContact CG2-CG1 4.31Å; I131-I135 WeakPolarHBondContact O-CB 3.45Å; I131-I135 VanDerWaalsContact O-CG1 3.29Å; I131-I135 WeakPolarHBondContact O-CG1 3.15Å; I131-I135 PolarHBondContact O-N 3.35Å
132	Q	96.7	Very high	95.8	Very high	22 Å²	22	32.8 Å²	32.8	10%	0.103	18%	0.184	C	C	.	.	H	α-helix	trans	-58.9	-44.2	176.2	-61.4	-177.3	44.4	0	0	111.1	L124 P125 L127 P128 L129 I135 A136 L328	L124-Q132 WeakPolarHBondContact O-CG 3.15Å; P125-Q132 PolarHBondContact O-NE2 3.08Å; L127-Q132 HydrophobicContact CB-CG 3.99Å; L127-Q132 PolarHBondContact O-NE2 3.38Å; P128-Q132 PolarHBondContact O-N 2.86Å; P128-Q132 VanDerWaalsContact O-N 3.08Å; L129-Q132 WeakPolarHBondContact O-CA 3.29Å; L129-Q132 WeakPolarHBondContact O-CB 3.35Å; L129-Q132 PolarHBondContact O-N 3.21Å; Q132-I135 PolarHBondContact O-N 2.86Å; Q132-A136 WeakPolarHBondContact O-CB 3.4Å; Q132-A136 PolarHBondContact O-N 2.89Å; Q132-L328 HydrophobicContact CB-CD1 4.06Å; Q132-L328 HydrophobicContact CB-CD2 4.28Å
133	E	95.8	Very high	95.6	Very high	39 Å²	39	38.5 Å²	38.5	18%	0.182	20%	0.202	C	C	.	.	H	α-helix	trans	-61.9	-47.2	176.6	-66.8	174.6	165.2	0	0	111.8	L129 I131 I135 A136 Q137 S332	L129-E133 WeakPolarHBondContact O-CG 3.38Å; L129-E133 PolarHBondContact O-N 2.92Å; I131-E133 VanDerWaalsContact C-N 3.31Å; I131-E133 PolarHBondContact O-N 2.96Å; E133-I135 VanDerWaalsContact C-N 3.31Å; E133-I135 PolarHBondContact O-N 3.45Å; E133-A136 PolarHBondContact O-N 2.86Å; E133-Q137 WeakPolarHBondContact O-CG 3.24Å; E133-Q137 PolarHBondContact O-N 2.9Å; E133-S332 PolarHBondContact OE1-OG 3.37Å; E133-S332 PolarHBondContact OE2-OG 2.93Å
134	L	95.9	Very high	95.4	Very high	29 Å²	29	42.8 Å²	42.8	15%	0.152	23%	0.225	C	C	.	.	H	α-helix	trans	-60.1	-40.4	176.4	-74.7	172.4	0	0	0	112.4	R98 F101 L105 D130 I131 A138	R98-L134 HydrophobicContact CB-CD1 4.42Å; R98-L134 HydrophobicContact CG-CD1 4.5Å; F101-L134 HydrophobicContact CB-CB 4.02Å; L105-L134 HydrophobicContact CD1-CD2 3.79Å; D130-L134 WeakPolarHBondContact O-CG 3.47Å; D130-L134 PolarHBondContact O-N 3.14Å; I131-L134 PolarHBondContact O-N 3.06Å; L134-A138 WeakPolarHBondContact O-CB 3.29Å; L134-A138 PolarHBondContact O-N 3.28Å; L134-A138 VanDerWaalsContact O-N 3.13Å
135	I	96.1	Very high	95.3	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-64.6	-47.4	175.3	-73.8	166.5	0	0	0	110.3	F101 V120 L124 L127 I131 Q132 E133 Q137 A138 V139 F325	F101-I135 HydrophobicContact CD1-CG1 4.27Å; F101-I135 HydrophobicContact CD2-CG1 3.95Å; F101-I135 HydrophobicContact CE1-CG1 4.02Å; F101-I135 HydrophobicContact CE2-CD1 4.04Å; F101-I135 HydrophobicContact CE2-CG1 3.69Å; F101-I135 HydrophobicContact CG-CG1 4.25Å; F101-I135 HydrophobicContact CZ-CD1 4.27Å; F101-I135 HydrophobicContact CZ-CG1 3.73Å; V120-I135 HydrophobicContact CB-CG2 3.65Å; V120-I135 HydrophobicContact CG1-CD1 4.12Å; V120-I135 HydrophobicContact CG1-CG1 4.5Å; V120-I135 HydrophobicContact CG1-CG2 4.05Å; V120-I135 HydrophobicContact CG2-CG1 4.4Å; V120-I135 HydrophobicContact CG2-CG2 3.68Å; L124-I135 HydrophobicContact CD1-CG2 4.16Å; L127-I135 HydrophobicContact CD1-CD1 3.74Å; I131-I135 HydrophobicContact CG2-CD1 3.7Å; I131-I135 HydrophobicContact CG2-CG1 4.31Å; I131-I135 WeakPolarHBondContact O-CB 3.45Å; I131-I135 VanDerWaalsContact O-CG1 3.29Å; I131-I135 WeakPolarHBondContact O-CG1 3.15Å; I131-I135 PolarHBondContact O-N 3.35Å; Q132-I135 PolarHBondContact O-N 2.86Å; E133-I135 VanDerWaalsContact C-N 3.31Å; E133-I135 PolarHBondContact O-N 3.45Å; I135-Q137 VanDerWaalsContact C-N 3.33Å; I135-Q137 PolarHBondContact O-N 2.84Å; I135-A138 PolarHBondContact O-N 3.3Å; I135-A138 VanDerWaalsContact O-N 3.14Å; I135-V139 HydrophobicContact CG2-CG2 4.18Å; I135-V139 WeakPolarHBondContact O-CG2 3.07Å; I135-V139 PolarHBondContact O-N 2.55Å; I135-F325 HydrophobicContact CG2-CE1 4.39Å
136	A	96.2	Very high	95.1	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-58.8	-45.6	-179.5	0	0	0	0	0	111.5	Q132 E133 A138 V139 L140 F325 L328	Q132-A136 WeakPolarHBondContact O-CB 3.4Å; Q132-A136 PolarHBondContact O-N 2.89Å; E133-A136 PolarHBondContact O-N 2.86Å; A136-A138 VanDerWaalsContact C-N 3.35Å; A136-A138 PolarHBondContact O-N 3.34Å; A136-V139 PolarHBondContact O-N 3.41Å; A136-L140 WeakPolarHBondContact O-CB 3.48Å; A136-L140 VanDerWaalsContact O-CG 3.3Å; A136-L140 WeakPolarHBondContact O-CG 3.26Å; A136-L140 PolarHBondContact O-N 2.8Å; A136-F325 HydrophobicContact CB-CB 4.31Å; A136-F325 HydrophobicContact CB-CD1 3.85Å; A136-L328 HydrophobicContact CB-CB 3.87Å; A136-L328 HydrophobicContact CB-CD1 4.29Å
137	Q	95.2	Very high	94.8	Very high	76 Å²	76	49.2 Å²	49.2	36%	0.355	25%	0.246	S	C	.	.	H	α-helix	trans	-59.4	-44.2	175.1	-68.7	174.6	30.6	0	0	111.8	L105 E133 I135 A141	L105-Q137 HydrophobicContact CD1-CB 4.01Å; L105-Q137 HydrophobicContact CD2-CB 3.84Å; E133-Q137 WeakPolarHBondContact O-CG 3.24Å; E133-Q137 PolarHBondContact O-N 2.9Å; I135-Q137 VanDerWaalsContact C-N 3.33Å; I135-Q137 PolarHBondContact O-N 2.84Å; Q137-A141 WeakPolarHBondContact O-CB 3.48Å; Q137-A141 PolarHBondContact O-N 3.28Å
138	A	94.2	Very high	94.6	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-66.2	-43.1	-179.3	0	0	0	0	0	112.7	F101 L104 L105 L134 I135 A136 T142	F101-A138 HydrophobicContact CD1-CB 4.29Å; L104-A138 HydrophobicContact CD1-CB 4.31Å; L104-A138 HydrophobicContact CD2-CB 3.64Å; L105-A138 HydrophobicContact CD2-CB 4.21Å; L134-A138 WeakPolarHBondContact O-CB 3.29Å; L134-A138 PolarHBondContact O-N 3.28Å; L134-A138 VanDerWaalsContact O-N 3.13Å; I135-A138 PolarHBondContact O-N 3.3Å; I135-A138 VanDerWaalsContact O-N 3.14Å; A136-A138 VanDerWaalsContact C-N 3.35Å; A136-A138 PolarHBondContact O-N 3.34Å; A138-T142 WeakPolarHBondContact O-CG2 3.48Å; A138-T142 PolarHBondContact O-N 3.43Å; A138-T142 PolarHBondContact O-OG1 3.43Å
139	V	95.8	Very high	94.6	Very high	19 Å²	19	49.6 Å²	49.6	12%	0.115	25%	0.245	C	C	.	.	H	α-helix	trans	-65.5	-48.9	178.1	171.7	0	0	0	0	110.1	V120 I135 A136 A141 T142 R143 F325	V120-V139 HydrophobicContact CB-CG2 4.43Å; V120-V139 HydrophobicContact CG2-CG2 4.09Å; I135-V139 HydrophobicContact CG2-CG2 4.18Å; I135-V139 WeakPolarHBondContact O-CG2 3.07Å; I135-V139 PolarHBondContact O-N 2.55Å; A136-V139 PolarHBondContact O-N 3.41Å; V139-A141 PolarHBondContact O-N 3.47Å; V139-T142 PolarHBondContact O-N 3.5Å; V139-R143 WeakPolarHBondContact O-CB 3.34Å; V139-R143 PolarHBondContact O-N 3.24Å; V139-F325 HydrophobicContact CG1-CE2 4.44Å; V139-F325 HydrophobicContact CG1-CZ 4.44Å; V139-F325 HydrophobicContact CG2-CE1 4.47Å
140	L	94.7	Very high	94.7	Very high	39 Å²	39	45.3 Å²	45.3	20%	0.204	22%	0.223	C	C	.	.	H	α-helix	trans	-65.2	-39.3	-179.8	-70.2	173.4	0	0	0	112.5	A136 T142 R143 F325 E326 C329	A136-L140 WeakPolarHBondContact O-CB 3.48Å; A136-L140 VanDerWaalsContact O-CG 3.3Å; A136-L140 WeakPolarHBondContact O-CG 3.26Å; A136-L140 PolarHBondContact O-N 2.8Å; L140-T142 PolarHBondContact O-N 3.48Å; L140-R143 WeakPolarHBondContact O-CG 3.3Å; L140-F325 HydrophobicContact CD1-CB 4.17Å; L140-F325 HydrophobicContact CD2-CB 4.19Å; L140-F325 HydrophobicContact CG-CB 4.12Å; L140-E326 HydrophobicContact CD1-CG 4.34Å; L140-E326 HydrophobicContact CD2-CG 4.29Å; L140-C329 HydrophobicContact CD1-CB 4.43Å
141	A	93.6	Very high	94.9	Very high	32 Å²	32	42.2 Å²	42.2	26%	0.264	21%	0.206	S	C	.	.	H	α-helix	trans	-63.4	-30.2	178.6	0	0	0	0	0	113	Q137 V139	Q137-A141 WeakPolarHBondContact O-CB 3.48Å; Q137-A141 PolarHBondContact O-N 3.28Å; V139-A141 PolarHBondContact O-N 3.47Å
142	T	94.7	Very high	95	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.006	21%	0.208	C	C	.	.	H	α-helix	trans	-107.6	0.1	-174.7	64.6	0	0	0	0	114.1	L111 V116 I118 A138 V139 L140 N144 Y145	L111-T142 HydrophobicContact CB-CG2 4.48Å; L111-T142 HydrophobicContact CD1-CG2 3.93Å; V116-T142 WeakPolarHBondContact O-CB 3.45Å; I118-T142 PolarHBondContact N-OG1 2.79Å; I118-T142 PolarHBondContact O-OG1 3.17Å; A138-T142 WeakPolarHBondContact O-CG2 3.48Å; A138-T142 PolarHBondContact O-N 3.43Å; A138-T142 PolarHBondContact O-OG1 3.43Å; V139-T142 PolarHBondContact O-N 3.5Å; L140-T142 PolarHBondContact O-N 3.48Å; T142-N144 PolarHBondContact O-N 2.79Å; T142-N144 VanDerWaalsContact O-N 3.13Å; T142-Y145 HydrophobicContact CG2-CD2 4.08Å; T142-Y145 HydrophobicContact CG2-CE2 3.92Å; T142-Y145 WeakPolarHBondContact O-CB 3.34Å; T142-Y145 PolarHBondContact O-N 3.17Å
143	R	94.1	Very high	95.1	Very high	130 Å²	130	41.4 Å²	41.4	49%	0.491	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-31.5	-173	75.3	-175.1	179.6	178.7	-2.2	114.8	V139 L140 E326	V139-R143 WeakPolarHBondContact O-CB 3.34Å; V139-R143 PolarHBondContact O-N 3.24Å; L140-R143 WeakPolarHBondContact O-CG 3.3Å; R143-E326 IonicContact NH1-OE1 3.35Å; R143-E326 PolarHBondContact NH1-OE1 2.82Å
144	N	94.1	Very high	95.1	Very high	134 Å²	134	40.3 Å²	40.3	72%	0.717	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.1	0.6	-177.2	-67.1	-25.3	0	0	0	113.3	T142	T142-N144 PolarHBondContact O-N 2.79Å; T142-N144 VanDerWaalsContact O-N 3.13Å
145	Y	94.1	Very high	95.2	Very high	49 Å²	49	38.9 Å²	38.9	19%	0.192	19%	0.19	C	C	.	.			trans	-83.2	148.1	178.7	-59.3	-10.1	0	0	0	110.2	L111 K112 V116 C117 T142	L111-Y145 HydrophobicContact CB-CE2 4.08Å; K112-Y145 HydrophobicContact CB-CE2 4.2Å; K112-Y145 HydrophobicContact CG-CE1 4.3Å; V116-Y145 WeakPolarHBondContact O-CD2 3.45Å; C117-Y145 WeakPolarHBondContact CB-O 3.48Å; T142-Y145 HydrophobicContact CG2-CD2 4.08Å; T142-Y145 HydrophobicContact CG2-CE2 3.92Å; T142-Y145 WeakPolarHBondContact O-CB 3.34Å; T142-Y145 PolarHBondContact O-N 3.17Å
146	N	92.1	Very high	95.3	Very high	126 Å²	126	38.9 Å²	38.9	67%	0.674	19%	0.19	S	C	*	.			trans	-142.8	7.7	-166	67.8	-11	0	0	0	115.3
147	K	89.1	Confident	95.4	Very high	125 Å²	125	39 Å²	39	54%	0.543	19%	0.191	S	C	.	.	S	Bend	trans	-87.9	-40.3	-178.8	-66.5	-176.8	-177.9	174.1	0	111.9	K113 H114 G115	K113-K147 PolarHBondContact O-NZ 3.05Å; H114-K147 WeakPolarHBondContact O-CB 3.29Å; H114-K147 WeakPolarHBondContact O-CD 3.28Å; G115-K147 PolarHBondContact O-N 3.04Å
148	C	92.1	Very high	95.6	Very high	18 Å²	18	35.3 Å²	35.3	12%	0.122	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	148.8	179.8	-49	0	0	0	0	110.4	L66 Q71 G115 V116 C117	L66-C148 WeakPolarHBondContact CD1-SG 3.24Å; Q71-C148 CarbonylContact O-C 3.48Å; Q71-C148 VanDerWaalsContact O-CA 3.27Å; Q71-C148 WeakPolarHBondContact O-CA 3.31Å; G115-C148 PolarHBondContact O-N 2.88Å; G115-C148 VanDerWaalsContact O-N 3.1Å; V116-C148 CarbonylContact C-O 3.58Å; V116-C148 WeakPolarHBondContact CA-O 3.41Å; V116-C148 HydrophobicContact CG2-CB 4.27Å; C117-C148 PolarHBondContact N-O 2.66Å
149	F	96.4	Very high	95.8	Very high	42 Å²	42	43.9 Å²	43.9	18%	0.184	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	129.1	-178	-58.4	-83	0	0	0	110	Q71 E72 V73 C117 R119	Q71-F149 PolarHBondContact O-N 2.64Å; E72-F149 WeakPolarHBondContact CA-O 3.3Å; E72-F149 HydrophobicContact CB-CB 4.07Å; E72-F149 HydrophobicContact CG-CB 3.7Å; V73-F149 PolarHBondContact N-O 2.95Å; C117-F149 HydrophobicContact CB-CD1 3.54Å; C117-F149 HydrophobicContact CB-CE1 3.81Å; C117-F149 WeakPolarHBondContact O-CA 3.32Å; R119-F149 VanDerWaalsContact NH2-CD1 3.3Å
150	L	97.2	Very high	96	Very high	5 Å²	5	46.7 Å²	46.7	3%	0.026	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	112.3	173.1	175.9	58.3	0	0	0	109.3	W3 L62 V73 V75 C117 I118 R119 V152	W3-L150 HydrophobicContact CE3-CD2 3.69Å; W3-L150 HydrophobicContact CZ3-CD2 3.56Å; L62-L150 HydrophobicContact CD1-CD1 4.09Å; L62-L150 HydrophobicContact CD1-CD2 3.6Å; L62-L150 HydrophobicContact CD1-CG 4.43Å; L62-L150 HydrophobicContact CD2-CD1 3.72Å; V73-L150 HydrophobicContact CB-CD1 4.43Å; V73-L150 HydrophobicContact CG1-CD1 4.49Å; V73-L150 CarbonylContact O-C 3.52Å; V73-L150 WeakPolarHBondContact O-CA 3.35Å; V75-L150 HydrophobicContact CG1-CD1 4.47Å; V75-L150 HydrophobicContact CG2-CD1 4.34Å; C117-L150 PolarHBondContact O-N 2.9Å; I118-L150 WeakPolarHBondContact CA-O 3.46Å; R119-L150 PolarHBondContact N-O 3.5Å; L150-V152 HydrophobicContact CD1-CG2 4.41Å; L150-V152 HydrophobicContact CD2-CG2 4.23Å; L150-V152 HydrophobicContact CG-CG2 3.95Å
151	N	98.4	Very high	96.1	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	116.6	173.5	-51.1	-57.5	0	0	0	109.2	E72 V73 T74 V75 R119 L121 S197	E72-N151 PolarHBondContact OE1-ND2 2.55Å; V73-N151 PolarHBondContact O-N 3.39Å; T74-N151 CarbonylContact C-O 3.24Å; T74-N151 VanDerWaalsContact CA-O 3.31Å; T74-N151 WeakPolarHBondContact CA-O 3.42Å; T74-N151 HydrophobicContact CG2-CB 3.87Å; T74-N151 WeakPolarHBondContact OG1-CB 3.48Å; T74-N151 PolarHBondContact OG1-ND2 3.21Å; V75-N151 PolarHBondContact N-O 3.4Å; R119-N151 WeakPolarHBondContact CB-OD1 3.45Å; R119-N151 WeakPolarHBondContact CD-OD1 3.48Å; R119-N151 CarbonylContact O-C 3.59Å; R119-N151 WeakPolarHBondContact O-CA 3.2Å; L121-N151 HydrophobicContact CD1-CB 3.86Å; L121-N151 HydrophobicContact CG-CB 4.35Å; N151-S197 PolarHBondContact ND2-OG 3.16Å
152	V	98.1	Very high	96.4	Very high	5 Å²	5	45.5 Å²	45.5	3%	0.03	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	106.1	177.5	-174.5	0	0	0	0	108.5	W3 V75 A77 R119 V120 L121 L150 F154	W3-V152 HydrophobicContact CH2-CG2 4.26Å; W3-V152 HydrophobicContact CZ3-CG2 4.08Å; V75-V152 HydrophobicContact CG2-CG1 4.42Å; V75-V152 HydrophobicContact CG2-CG2 4.31Å; A77-V152 HydrophobicContact CB-CG1 3.66Å; R119-V152 PolarHBondContact O-N 3.38Å; V120-V152 CarbonylContact C-O 3.56Å; V120-V152 WeakPolarHBondContact CA-O 3.33Å; V120-V152 WeakPolarHBondContact CG1-O 3.24Å; V120-V152 HydrophobicContact CG2-CB 4.47Å; L121-V152 PolarHBondContact N-O 3.42Å; L150-V152 HydrophobicContact CD1-CG2 4.41Å; L150-V152 HydrophobicContact CD2-CG2 4.23Å; L150-V152 HydrophobicContact CG-CG2 3.95Å; V152-F154 HydrophobicContact CG1-CD2 4.45Å; V152-F154 PolarHBondContact O-N 2.85Å
153	C	98.5	Very high	96.6	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	109.4	174.4	-68.8	0	0	0	0	109.8	V75 Y76 A77 F78 L121 Y156 F215	V75-C153 WeakPolarHBondContact O-CB 3.5Å; V75-C153 PolarHBondContact O-N 3.22Å; Y76-C153 HydrophobicContact CD2-CB 4.09Å; A77-C153 PolarHBondContact N-O 2.91Å; F78-C153 PolarHBondContact N-O 3.32Å; F78-C153 VanDerWaalsContact N-O 3.15Å; L121-C153 CarbonylContact O-C 3.41Å; L121-C153 VanDerWaalsContact O-CA 3.24Å; L121-C153 WeakPolarHBondContact O-CA 3.4Å; C153-Y156 HydrophobicContact CB-CD1 3.95Å; C153-Y156 HydrophobicContact CB-CD2 4.28Å; C153-Y156 HydrophobicContact CB-CG 3.74Å; C153-F215 HydrophobicContact CB-CE2 3.82Å
154	F	97.6	Very high	96.8	Very high	15 Å²	15	42.7 Å²	42.7	7%	0.066	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	129.1	-172.5	-152	-83.8	0	0	0	110.2	A77 F78 M94 A97 V120 L121 G122 L127 V152 Y156	A77-F154 HydrophobicContact CB-CD2 3.8Å; A77-F154 HydrophobicContact CB-CE2 4.34Å; F78-F154 HydrophobicContact CB-CD1 4.08Å; F78-F154 HydrophobicContact CB-CD2 3.7Å; F78-F154 HydrophobicContact CB-CE1 4.02Å; F78-F154 HydrophobicContact CB-CE2 3.63Å; F78-F154 HydrophobicContact CB-CG 3.92Å; F78-F154 HydrophobicContact CB-CZ 3.79Å; F78-F154 HydrophobicContact CD1-CE1 4.35Å; F78-F154 HydrophobicContact CG-CE1 4.23Å; F78-F154 HydrophobicContact CG-CE2 4.45Å; F78-F154 HydrophobicContact CG-CZ 4.14Å; F78-F154 CarbonylContact O-C 3.6Å; M94-F154 HydrophobicContact CE-CE1 4.36Å; M94-F154 HydrophobicContact SD-CE1 4.2Å; A97-F154 HydrophobicContact CB-CE1 4.46Å; A97-F154 HydrophobicContact CB-CE2 4.1Å; A97-F154 HydrophobicContact CB-CZ 3.67Å; V120-F154 HydrophobicContact CG1-CB 3.83Å; L121-F154 PolarHBondContact O-N 2.91Å; G122-F154 WeakPolarHBondContact CA-O 3.37Å; L127-F154 HydrophobicContact CD1-CD1 3.71Å; L127-F154 HydrophobicContact CD1-CE1 4.21Å; L127-F154 HydrophobicContact CD2-CD1 3.67Å; L127-F154 HydrophobicContact CD2-CE1 3.55Å; L127-F154 HydrophobicContact CG-CD1 4.33Å; V152-F154 HydrophobicContact CG1-CD2 4.45Å; V152-F154 PolarHBondContact O-N 2.85Å; F154-Y156 PolarHBondContact O-N 3.48Å
155	A	97.4	Very high	97	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	50.2	47.2	-161.8	0	0	0	0	0	111.4	F78 I80 F83 D123 L127	F78-A155 PolarHBondContact O-N 2.86Å; I80-A155 VanDerWaalsContact CG1-C 3.48Å; I80-A155 VanDerWaalsContact CG1-O 3.28Å; I80-A155 WeakPolarHBondContact CG1-O 3.39Å; F83-A155 HydrophobicContact CE2-CB 4.03Å; F83-A155 HydrophobicContact CZ-CB 4.3Å; D123-A155 PolarHBondContact N-O 3.44Å; L127-A155 HydrophobicContact CD2-CB 3.93Å; L127-A155 HydrophobicContact CG-CB 4.11Å
156	Y	98.6	Very high	97.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	144.8	-172.4	174.9	-85.8	0	0	0	112.3	Y76 F78 S79 I80 C153 F154 S158 E161 Y193 F215 L216	Y76-Y156 HydrophobicContact CD2-CD1 4.37Å; Y76-Y156 AromaticContact CE2-CD1 3.78Å; Y76-Y156 HydrophobicContact CE2-CD1 3.78Å; Y76-Y156 WeakPolarHBondContact CE2-O 3.42Å; Y76-Y156 PolarHBondContact OH-O 3.4Å; F78-Y156 PolarHBondContact O-N 3.48Å; F78-Y156 VanDerWaalsContact O-N 3.14Å; S79-Y156 VanDerWaalsContact CA-O 3.28Å; S79-Y156 WeakPolarHBondContact CA-O 3.3Å; S79-Y156 PolarHBondContact OG-O 3.08Å; I80-Y156 PolarHBondContact N-O 2.95Å; C153-Y156 HydrophobicContact CB-CD1 3.95Å; C153-Y156 HydrophobicContact CB-CD2 4.28Å; C153-Y156 HydrophobicContact CB-CG 3.74Å; F154-Y156 PolarHBondContact O-N 3.48Å; Y156-S158 WeakPolarHBondContact OH-CA 3.44Å; Y156-E161 HydrophobicContact CE2-CB 3.87Å; Y156-E161 HydrophobicContact CE2-CG 4.27Å; Y156-E161 WeakPolarHBondContact CE2-OE2 3.42Å; Y156-E161 PolarHBondContact OH-OE2 2.89Å; Y156-Y193 HydrophobicContact CD2-CD2 4.04Å; Y156-Y193 HydrophobicContact CD2-CE2 4.44Å; Y156-Y193 HydrophobicContact CE2-CD2 4.01Å; Y156-F215 HydrophobicContact CD1-CD2 4.02Å; Y156-F215 HydrophobicContact CD1-CE2 4.44Å; Y156-F215 AromaticContact CE1-CD2 3.74Å; Y156-F215 HydrophobicContact CE1-CD2 3.74Å; Y156-F215 HydrophobicContact CE1-CE2 4.28Å; Y156-L216 PolarHBondContact OH-N 3.33Å
157	T	98.6	Very high	97.5	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.012	18%	0.177	C	C	.	.			trans	-145	149.3	155.4	58.6	0	0	0	0	108.4	I80 E81 R159 H160 E161	I80-T157 HydrophobicContact CB-CG2 3.91Å; I80-T157 HydrophobicContact CD1-CG2 4.28Å; I80-T157 HydrophobicContact CG1-CG2 4.29Å; E81-T157 HydrophobicContact CG-CG2 4.48Å; T157-R159 VanDerWaalsContact C-N 3.34Å; T157-R159 PolarHBondContact O-N 2.94Å; T157-H160 PolarHBondContact O-N 3.39Å; T157-H160 VanDerWaalsContact OG1-CB 3.29Å; T157-H160 WeakPolarHBondContact OG1-CB 3.41Å; T157-H160 PolarHBondContact OG1-N 3.26Å; T157-H160 PolarHBondContact OG1-ND1 2.59Å; T157-E161 PolarHBondContact O-N 3.23Å
158	S	98.7	Very high	97.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-66.2	-37.2	-178.7	-171.8	0	0	0	0	111.9	Y156 H160 E161 I162 D214 L217	Y156-S158 WeakPolarHBondContact OH-CA 3.44Å; S158-H160 PolarHBondContact O-N 3.5Å; S158-E161 PolarHBondContact O-N 3.31Å; S158-I162 VanDerWaalsContact O-CG1 3.27Å; S158-I162 WeakPolarHBondContact O-CG1 3.13Å; S158-I162 PolarHBondContact O-N 3.13Å; S158-D214 WeakPolarHBondContact CA-OD1 3.35Å; S158-D214 VanDerWaalsContact CB-OD1 3.27Å; S158-D214 WeakPolarHBondContact CB-OD1 3.49Å; S158-D214 PolarHBondContact N-O 2.93Å; S158-D214 PolarHBondContact N-OD1 3.24Å; S158-L217 WeakPolarHBondContact OG-CB 3.35Å; S158-L217 PolarHBondContact OG-N 3.37Å
159	R	98.6	Very high	98.2	Very high	180 Å²	180	32.8 Å²	32.8	68%	0.679	15%	0.151	S	C	*	.	H	α-helix	trans	-60.4	-42.3	172.8	-72.4	179.6	177.1	-174.1	-1.4	113	T157 S163 D214	T157-R159 VanDerWaalsContact C-N 3.34Å; T157-R159 PolarHBondContact O-N 2.94Å; R159-S163 WeakPolarHBondContact O-CB 3.38Å; R159-S163 PolarHBondContact O-N 3.37Å; R159-S163 PolarHBondContact O-OG 3.39Å; R159-D214 WeakPolarHBondContact CD-OD2 3.14Å; R159-D214 WeakPolarHBondContact CG-OD2 3.42Å; R159-D214 PolarHBondContact N-OD1 2.71Å
160	H	98.4	Very high	98.3	Very high	78 Å²	78	33.4 Å²	33.4	36%	0.361	16%	0.164	S	C	.	.	H	α-helix	trans	-64.1	-45.5	174.9	-83.9	66.8	0	0	0	111	I80 T157 S158 I162 S163 N164	I80-H160 HydrophobicContact CD1-CB 3.82Å; I80-H160 VanDerWaalsContact CD1-CG 3.43Å; T157-H160 PolarHBondContact O-N 3.39Å; T157-H160 VanDerWaalsContact OG1-CB 3.29Å; T157-H160 WeakPolarHBondContact OG1-CB 3.41Å; T157-H160 PolarHBondContact OG1-N 3.26Å; T157-H160 PolarHBondContact OG1-ND1 2.59Å; S158-H160 PolarHBondContact O-N 3.5Å; H160-I162 PolarHBondContact O-N 2.88Å; H160-S163 WeakPolarHBondContact CA-OG 3.48Å; H160-S163 PolarHBondContact O-N 3.33Å; H160-S163 PolarHBondContact O-OG 2.92Å; H160-N164 WeakPolarHBondContact O-CB 3.24Å; H160-N164 PolarHBondContact O-N 2.93Å
161	E	98.7	Very high	98.4	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-57	-48.5	176.8	179.8	-178.6	-142.4	0	0	112.2	Y156 T157 S158 S163 N164 A165 L192 Y193 T194 Q219	Y156-E161 HydrophobicContact CE2-CB 3.87Å; Y156-E161 HydrophobicContact CE2-CG 4.27Å; Y156-E161 WeakPolarHBondContact CE2-OE2 3.42Å; Y156-E161 PolarHBondContact OH-OE2 2.89Å; T157-E161 PolarHBondContact O-N 3.23Å; S158-E161 PolarHBondContact O-N 3.31Å; E161-S163 PolarHBondContact O-N 3.47Å; E161-N164 WeakPolarHBondContact O-CB 3.36Å; E161-N164 PolarHBondContact O-N 3.39Å; E161-A165 PolarHBondContact O-N 2.95Å; E161-L192 HydrophobicContact CG-CB 4.25Å; E161-L192 HydrophobicContact CG-CD2 3.68Å; E161-Y193 HydrophobicContact CB-CD2 3.73Å; E161-Y193 HydrophobicContact CB-CE2 3.68Å; E161-Y193 HydrophobicContact CG-CD2 3.5Å; E161-Y193 HydrophobicContact CG-CE2 3.9Å; E161-Y193 HydrophobicContact CG-CG 3.96Å; E161-Y193 WeakPolarHBondContact OE1-CA 3.36Å; E161-Y193 VanDerWaalsContact OE1-CB 3.32Å; E161-Y193 WeakPolarHBondContact OE1-CB 3.45Å; E161-Y193 PolarHBondContact OE1-N 3.03Å; E161-T194 PolarHBondContact OE1-N 3.22Å; E161-Q219 VanDerWaalsContact CD-NE2 3.35Å; E161-Q219 PolarHBondContact OE1-NE2 2.8Å; E161-Q219 PolarHBondContact OE2-NE2 3.08Å
162	I	98.8	Very high	98.4	Very high	46 Å²	46	36.2 Å²	36.2	24%	0.236	17%	0.174	C	C	.	.	H	α-helix	trans	-62.1	-46.1	178.4	-66.6	163.4	0	0	0	110.2	S158 H160 N164 A165 V166 L192 W218	S158-I162 VanDerWaalsContact O-CG1 3.27Å; S158-I162 WeakPolarHBondContact O-CG1 3.13Å; S158-I162 PolarHBondContact O-N 3.13Å; H160-I162 PolarHBondContact O-N 2.88Å; I162-N164 VanDerWaalsContact C-N 3.25Å; I162-N164 PolarHBondContact O-N 2.97Å; I162-A165 PolarHBondContact O-N 2.74Å; I162-V166 WeakPolarHBondContact O-CG2 3.41Å; I162-V166 PolarHBondContact O-N 3.27Å; I162-L192 HydrophobicContact CG1-CD2 4.35Å; I162-W218 HydrophobicContact CD1-CB 4.29Å; I162-W218 HydrophobicContact CG1-CB 4.44Å
163	S	98.5	Very high	98.4	Very high	49 Å²	49	38.3 Å²	38.3	34%	0.343	19%	0.187	S	C	.	.	H	α-helix	trans	-61.8	-35.9	177.8	75	0	0	0	0	112.2	R159 H160 E161 R167	R159-S163 WeakPolarHBondContact O-CB 3.38Å; R159-S163 PolarHBondContact O-N 3.37Å; R159-S163 PolarHBondContact O-OG 3.39Å; H160-S163 WeakPolarHBondContact CA-OG 3.48Å; H160-S163 PolarHBondContact O-N 3.33Å; H160-S163 PolarHBondContact O-OG 2.92Å; E161-S163 PolarHBondContact O-N 3.47Å; S163-R167 WeakPolarHBondContact O-CB 3.31Å; S163-R167 PolarHBondContact O-N 3.32Å
164	N	98.4	Very high	98.3	Very high	23 Å²	23	45.6 Å²	45.6	12%	0.123	22%	0.221	C	C	.	.	H	α-helix	trans	-68.5	-45.4	175.5	-169.4	72.6	0	0	0	111.2	H160 E161 I162 V166 R167 E168 Y193	H160-N164 WeakPolarHBondContact O-CB 3.24Å; H160-N164 PolarHBondContact O-N 2.93Å; E161-N164 WeakPolarHBondContact O-CB 3.36Å; E161-N164 PolarHBondContact O-N 3.39Å; I162-N164 VanDerWaalsContact C-N 3.25Å; I162-N164 PolarHBondContact O-N 2.97Å; N164-V166 VanDerWaalsContact C-N 3.27Å; N164-V166 PolarHBondContact O-N 3.31Å; N164-R167 CarbonylContact O-C 3.52Å; N164-R167 WeakPolarHBondContact O-CA 3.41Å; N164-R167 WeakPolarHBondContact O-CB 3.49Å; N164-R167 PolarHBondContact O-N 2.9Å; N164-R167 PolarHBondContact OD1-NH1 3.05Å; N164-R167 VanDerWaalsContact OD1-NH1 3.15Å; N164-E168 WeakPolarHBondContact O-CG 3.48Å; N164-E168 PolarHBondContact O-N 2.91Å; N164-Y193 HydrophobicContact CB-CE1 4.33Å; N164-Y193 WeakPolarHBondContact ND2-CE1 3.47Å
165	A	98.6	Very high	98.3	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-56.6	-41.9	176.4	0	0	0	0	0	111.9	E161 I162 E168 M169 L188 C191 L192	E161-A165 PolarHBondContact O-N 2.95Å; I162-A165 PolarHBondContact O-N 2.74Å; A165-E168 PolarHBondContact O-N 3.24Å; A165-M169 PolarHBondContact O-N 3.22Å; A165-M169 VanDerWaalsContact O-N 3.16Å; A165-L188 HydrophobicContact CB-CD2 4.3Å; A165-L188 HydrophobicContact CB-CG 4.33Å; A165-C191 HydrophobicContact CB-CB 3.68Å; A165-L192 HydrophobicContact CB-CD2 3.97Å
166	V	98.6	Very high	98.3	Very high	73 Å²	73	53 Å²	53	44%	0.442	27%	0.273	S	S	.	.	H	α-helix	trans	-64.3	-41.9	173.4	177.1	0	0	0	0	111.7	I162 N164 E168 M169 A170 L188	I162-V166 WeakPolarHBondContact O-CG2 3.41Å; I162-V166 PolarHBondContact O-N 3.27Å; N164-V166 VanDerWaalsContact C-N 3.27Å; N164-V166 PolarHBondContact O-N 3.31Å; V166-E168 VanDerWaalsContact C-N 3.35Å; V166-E168 PolarHBondContact O-N 2.96Å; V166-M169 HydrophobicContact CG2-CE 4.24Å; V166-M169 PolarHBondContact O-N 3.13Å; V166-A170 WeakPolarHBondContact O-CB 3.49Å; V166-A170 PolarHBondContact O-N 2.88Å; V166-L188 HydrophobicContact CG2-CD1 4.33Å
167	R	98.4	Very high	98.2	Very high	144 Å²	144	55.7 Å²	55.7	54%	0.543	29%	0.287	S	S	.	.	H	α-helix	trans	-62.5	-39.8	176.5	-169.9	-174.4	-61	114.6	0.8	112.3	S163 N164 A170 W171	S163-R167 WeakPolarHBondContact O-CB 3.31Å; S163-R167 PolarHBondContact O-N 3.32Å; N164-R167 CarbonylContact O-C 3.52Å; N164-R167 WeakPolarHBondContact O-CA 3.41Å; N164-R167 WeakPolarHBondContact O-CB 3.49Å; N164-R167 PolarHBondContact O-N 2.9Å; N164-R167 PolarHBondContact OD1-NH1 3.05Å; N164-R167 VanDerWaalsContact OD1-NH1 3.15Å; R167-A170 PolarHBondContact O-N 3.09Å; R167-W171 WeakPolarHBondContact O-CB 3.42Å; R167-W171 PolarHBondContact O-N 3.4Å
168	E	98.3	Very high	98.1	Very high	21 Å²	21	55.9 Å²	55.9	10%	0.098	29%	0.288	C	S	.	.	H	α-helix	trans	-64	-42.1	176.1	-65.9	-58.4	162.7	0	0	111.5	N164 A165 V166 W171 G172 F313 L317 K320	N164-E168 WeakPolarHBondContact O-CG 3.48Å; N164-E168 PolarHBondContact O-N 2.91Å; A165-E168 PolarHBondContact O-N 3.24Å; V166-E168 VanDerWaalsContact C-N 3.35Å; V166-E168 PolarHBondContact O-N 2.96Å; E168-W171 WeakPolarHBondContact O-CB 3.25Å; E168-W171 PolarHBondContact O-N 2.73Å; E168-G172 PolarHBondContact O-N 2.94Å; E168-F313 VanDerWaalsContact O-CE2 3.3Å; E168-F313 WeakPolarHBondContact O-CE2 3.47Å; E168-L317 HydrophobicContact CB-CD1 4.06Å; E168-L317 HydrophobicContact CB-CD2 4.42Å; E168-L317 HydrophobicContact CG-CD1 3.86Å; E168-L317 VanDerWaalsContact OE2-CD1 3.32Å; E168-L317 WeakPolarHBondContact OE2-CD1 3.34Å; E168-K320 VanDerWaalsContact CD-NZ 3.35Å; E168-K320 IonicContact OE1-NZ 2.67Å; E168-K320 PolarHBondContact OE1-NZ 3.23Å; E168-K320 IonicContact OE2-NZ 3.79Å; E168-K320 PolarHBondContact OE2-NZ 2.86Å
169	M	98.4	Very high	97.9	Very high	5 Å²	5	59.1 Å²	59.1	3%	0.025	30%	0.303	C	S	.	.	H	α-helix	trans	-64.3	-41.3	173.4	-67.6	-174.3	-69.1	0	0	111.9	A165 V166 W171 G172 V173 L178 V183 L187 L188 C191 F313	A165-M169 PolarHBondContact O-N 3.22Å; A165-M169 VanDerWaalsContact O-N 3.16Å; V166-M169 HydrophobicContact CG2-CE 4.24Å; V166-M169 PolarHBondContact O-N 3.13Å; M169-W171 VanDerWaalsContact C-N 3.34Å; M169-W171 PolarHBondContact O-N 3.15Å; M169-G172 WeakPolarHBondContact O-CA 3.37Å; M169-G172 PolarHBondContact O-N 2.95Å; M169-G172 VanDerWaalsContact O-N 3.12Å; M169-V173 PolarHBondContact O-N 2.91Å; M169-L178 HydrophobicContact CB-CD1 4.41Å; M169-V183 HydrophobicContact CE-CG1 4.09Å; M169-V183 HydrophobicContact SD-CG1 4.02Å; M169-V183 HydrophobicContact SD-CG2 4.46Å; M169-L187 HydrophobicContact CG-CD2 4.13Å; M169-L187 HydrophobicContact CG-CG 4.06Å; M169-L187 HydrophobicContact SD-CB 3.99Å; M169-L187 HydrophobicContact SD-CD2 3.88Å; M169-L187 HydrophobicContact SD-CG 3.69Å; M169-L188 HydrophobicContact CE-CB 4.01Å; M169-L188 HydrophobicContact CE-CD1 4.22Å; M169-L188 HydrophobicContact CE-CG 4.05Å; M169-L188 HydrophobicContact SD-CB 4.48Å; M169-C191 HydrophobicContact CG-CB 4.48Å; M169-F313 HydrophobicContact CG-CZ 4.49Å
170	A	98.4	Very high	97.7	Very high	56 Å²	56	55.2 Å²	55.2	46%	0.463	30%	0.301	S	S	.	.	H	α-helix	trans	-62.6	-40.9	176.4	0	0	0	0	0	112	V166 R167 G172 V173 E174	V166-A170 WeakPolarHBondContact O-CB 3.49Å; V166-A170 PolarHBondContact O-N 2.88Å; R167-A170 PolarHBondContact O-N 3.09Å; A170-G172 VanDerWaalsContact C-N 3.34Å; A170-V173 PolarHBondContact O-N 3.39Å; A170-E174 PolarHBondContact O-N 3.34Å
171	W	98.3	Very high	97.3	Very high	63 Å²	63	54.8 Å²	54.8	24%	0.239	31%	0.306	C	S	.	.	H	α-helix	trans	-59.6	-44.2	170.3	167.9	76.1	0	0	0	111.2	R167 E168 M169 V173 E174 Q175 L177 F313 A316 K320	R167-W171 WeakPolarHBondContact O-CB 3.42Å; R167-W171 PolarHBondContact O-N 3.4Å; E168-W171 WeakPolarHBondContact O-CB 3.25Å; E168-W171 PolarHBondContact O-N 2.73Å; M169-W171 VanDerWaalsContact C-N 3.34Å; M169-W171 PolarHBondContact O-N 3.15Å; W171-V173 VanDerWaalsContact C-N 3.27Å; W171-V173 PolarHBondContact O-N 2.88Å; W171-E174 PolarHBondContact O-N 3.28Å; W171-E174 VanDerWaalsContact O-N 3.15Å; W171-Q175 HydrophobicContact CD2-CG 4.17Å; W171-Q175 HydrophobicContact CG-CG 4.32Å; W171-Q175 HydrophobicContact CZ2-CG 3.94Å; W171-Q175 VanDerWaalsContact NE1-CG 3.34Å; W171-Q175 VanDerWaalsContact O-CG 3.31Å; W171-Q175 WeakPolarHBondContact O-CG 3.5Å; W171-Q175 PolarHBondContact O-N 3.3Å; W171-L177 HydrophobicContact CH2-CD1 4.19Å; W171-L177 HydrophobicContact CZ3-CD1 4.42Å; W171-F313 AromaticContact CE3-CE2 3.92Å; W171-F313 HydrophobicContact CE3-CE2 3.92Å; W171-F313 HydrophobicContact CZ3-CD2 4.29Å; W171-F313 AromaticContact CZ3-CE2 3.96Å; W171-F313 HydrophobicContact CZ3-CE2 3.96Å; W171-A316 HydrophobicContact CH2-CB 4.14Å; W171-K320 HydrophobicContact CH2-CD 4.33Å; W171-K320 HydrophobicContact CZ2-CD 4.39Å; W171-K320 HydrophobicContact CZ3-CD 4.44Å
172	G	98.2	Very high	97	Very high	0 Å²	0	55 Å²	55	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-57.6	-37.7	174.6	0	0	0	0	0	113.4	E168 M169 A170 G176 L177 L178	E168-G172 PolarHBondContact O-N 2.94Å; M169-G172 WeakPolarHBondContact O-CA 3.37Å; M169-G172 PolarHBondContact O-N 2.95Å; M169-G172 VanDerWaalsContact O-N 3.12Å; A170-G172 VanDerWaalsContact C-N 3.34Å; G172-G176 PolarHBondContact O-N 3.32Å; G172-L177 WeakPolarHBondContact O-CA 3.4Å; G172-L177 WeakPolarHBondContact O-CB 3.4Å; G172-L177 PolarHBondContact O-N 2.85Å; G172-L178 PolarHBondContact O-N 3.31Å
173	V	98	Very high	96.7	Very high	49 Å²	49	55.9 Å²	55.9	30%	0.297	32%	0.315	S	S	.	.	H	α-helix	trans	-68.7	-45.1	174	174	0	0	0	0	111.5	M169 A170 W171 Q175 G176 L178 P180	M169-V173 PolarHBondContact O-N 2.91Å; A170-V173 PolarHBondContact O-N 3.39Å; W171-V173 VanDerWaalsContact C-N 3.27Å; W171-V173 PolarHBondContact O-N 2.88Å; V173-Q175 VanDerWaalsContact C-N 3.3Å; V173-Q175 PolarHBondContact O-N 3.5Å; V173-G176 PolarHBondContact O-N 2.89Å; V173-L178 WeakPolarHBondContact CA-O 3.49Å; V173-L178 HydrophobicContact CG2-CB 3.88Å; V173-P180 HydrophobicContact CG1-CG 4.03Å
174	E	97.8	Very high	96.5	Very high	153 Å²	153	54.5 Å²	54.5	72%	0.715	31%	0.305	S	S	*	.	H	α-helix	trans	-60.5	-38.6	177.8	-177.6	-178.5	-137.4	0	0	112.2	A170 W171 G176	A170-E174 PolarHBondContact O-N 3.34Å; W171-E174 PolarHBondContact O-N 3.28Å; W171-E174 VanDerWaalsContact O-N 3.15Å; E174-G176 PolarHBondContact O-N 3.04Å
175	Q	96.9	Very high	96.2	Very high	110 Å²	110	55.7 Å²	55.7	51%	0.514	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-0.7	176.2	-61.2	-54.7	-62.5	0	0	113.6	W171 V173 L177	W171-Q175 HydrophobicContact CD2-CG 4.17Å; W171-Q175 HydrophobicContact CG-CG 4.32Å; W171-Q175 HydrophobicContact CZ2-CG 3.94Å; W171-Q175 VanDerWaalsContact NE1-CG 3.34Å; W171-Q175 VanDerWaalsContact O-CG 3.31Å; W171-Q175 WeakPolarHBondContact O-CG 3.5Å; W171-Q175 PolarHBondContact O-N 3.3Å; V173-Q175 VanDerWaalsContact C-N 3.3Å; V173-Q175 PolarHBondContact O-N 3.5Å; Q175-L177 HydrophobicContact CB-CD1 4.1Å; Q175-L177 HydrophobicContact CB-CG 4Å; Q175-L177 PolarHBondContact O-N 3.29Å
176	G	96.6	Very high	95.9	Very high	62 Å²	62	58.1 Å²	58.1	64%	0.639	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.6	14.5	-177.5	0	0	0	0	0	114.6	G172 V173 E174	G172-G176 PolarHBondContact O-N 3.32Å; V173-G176 PolarHBondContact O-N 2.89Å; E174-G176 PolarHBondContact O-N 3.04Å
177	L	97.2	Very high	95.7	Very high	55 Å²	55	54.8 Å²	54.8	29%	0.288	31%	0.307	S	S	.	.	S	Bend	trans	-80.9	-26.5	176.8	-59.9	173.9	0	0	0	112	W171 G172 Q175 F313 A316	W171-L177 HydrophobicContact CH2-CD1 4.19Å; W171-L177 HydrophobicContact CZ3-CD1 4.42Å; G172-L177 WeakPolarHBondContact O-CA 3.4Å; G172-L177 WeakPolarHBondContact O-CB 3.4Å; G172-L177 PolarHBondContact O-N 2.85Å; Q175-L177 HydrophobicContact CB-CD1 4.1Å; Q175-L177 HydrophobicContact CB-CG 4Å; Q175-L177 PolarHBondContact O-N 3.29Å; L177-F313 HydrophobicContact CB-CB 4.14Å; L177-F313 HydrophobicContact CB-CD2 4.41Å; L177-F313 HydrophobicContact CD1-CD2 4.48Å; L177-A316 HydrophobicContact CD1-CB 3.8Å
178	L	97.3	Very high	95.7	Very high	7 Å²	7	48.8 Å²	48.8	4%	0.037	29%	0.286	C	S	.	.	S	Bend	trans	-126.2	151.1	178.3	-67.1	174	0	0	0	111	M169 G172 V173 D182 L187 I310 F313	M169-L178 HydrophobicContact CB-CD1 4.41Å; G172-L178 PolarHBondContact O-N 3.31Å; V173-L178 WeakPolarHBondContact CA-O 3.49Å; V173-L178 HydrophobicContact CG2-CB 3.88Å; L178-D182 HydrophobicContact CD2-CB 4.16Å; L178-L187 HydrophobicContact CD1-CD2 3.76Å; L178-L187 HydrophobicContact CD2-CD2 3.96Å; L178-I310 HydrophobicContact CD2-CG1 4.17Å; L178-F313 HydrophobicContact CD1-CB 4.32Å; L178-F313 HydrophobicContact CD1-CD1 3.78Å; L178-F313 HydrophobicContact CD1-CD2 3.7Å; L178-F313 HydrophobicContact CD1-CE1 3.96Å; L178-F313 HydrophobicContact CD1-CE2 3.88Å; L178-F313 HydrophobicContact CD1-CG 3.63Å; L178-F313 HydrophobicContact CD1-CZ 4Å; L178-F313 HydrophobicContact CD2-CB 3.7Å; L178-F313 HydrophobicContact CD2-CD1 4.13Å; L178-F313 HydrophobicContact CD2-CG 3.9Å; L178-F313 HydrophobicContact CG-CB 3.8Å; L178-F313 HydrophobicContact CG-CD1 4.18Å; L178-F313 HydrophobicContact CG-CD2 3.91Å; L178-F313 HydrophobicContact CG-CG 3.67Å
179	E	94.3	Very high	95.6	Very high	67 Å²	67	49.7 Å²	49.7	31%	0.313	29%	0.291	S	S	.	.			trans	-93.1	150.7	160.6	-68.2	172.1	-171.8	0	0	109.8	S181 D182 R309	E179-S181 PolarHBondContact O-N 2.91Å; E179-D182 PolarHBondContact N-OD2 2.95Å; E179-D182 VanDerWaalsContact O-CB 3.3Å; E179-D182 WeakPolarHBondContact O-CB 3.4Å; E179-D182 PolarHBondContact O-N 3.18Å; E179-R309 IonicContact OE1-CZ 2.88Å; E179-R309 VanDerWaalsContact OE1-CZ 3.28Å; E179-R309 IonicContact OE1-NE 2.93Å; E179-R309 IonicContact OE1-NH1 3.76Å; E179-R309 PolarHBondContact OE1-NH1 2.86Å; E179-R309 IonicContact OE1-NH2 2.59Å; E179-R309 IonicContact OE2-CZ 3.96Å; E179-R309 VanDerWaalsContact OE2-CZ 3.28Å; E179-R309 IonicContact OE2-NH1 3.77Å; E179-R309 PolarHBondContact OE2-NH1 3.02Å; E179-R309 IonicContact OE2-NH2 3.05Å; E179-R309 PolarHBondContact OE2-NH2 2.76Å
180	P	93.6	Very high	95.6	Very high	98 Å²	98	53.5 Å²	53.5	64%	0.636	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-54.4	-28.8	174.9	-26.9	34.5	0	0	0	113.9	V173 D182 V183	V173-P180 HydrophobicContact CG1-CG 4.03Å; P180-D182 VanDerWaalsContact C-N 3.26Å; P180-D182 PolarHBondContact O-N 3.03Å; P180-V183 PolarHBondContact O-N 2.93Å
181	S	90	Very high	95.6	Very high	69 Å²	69	50.8 Å²	50.8	48%	0.483	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-72.1	-14.5	175.6	46.8	0	0	0	0	114.6	E179 V183	E179-S181 PolarHBondContact O-N 2.91Å; S181-V183 VanDerWaalsContact C-N 3.3Å
182	D	92.2	Very high	95.6	Very high	4 Å²	4	47.9 Å²	47.9	2%	0.021	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-80	-17.3	177.8	-59.2	-26.8	0	0	0	111.8	L178 E179 P180 S184 R306 R309 I310	L178-D182 HydrophobicContact CD2-CB 4.16Å; E179-D182 PolarHBondContact N-OD2 2.95Å; E179-D182 VanDerWaalsContact O-CB 3.3Å; E179-D182 WeakPolarHBondContact O-CB 3.4Å; E179-D182 PolarHBondContact O-N 3.18Å; P180-D182 VanDerWaalsContact C-N 3.26Å; P180-D182 PolarHBondContact O-N 3.03Å; D182-S184 PolarHBondContact O-N 3.21Å; D182-R306 HydrophobicContact CB-CG 4.3Å; D182-R306 WeakPolarHBondContact OD1-CG 3.04Å; D182-R309 IonicContact OD1-CZ 4Å; D182-R309 IonicContact OD1-NE 2.77Å; D182-R309 IonicContact OD1-NH2 2.68Å; D182-R309 PolarHBondContact OD1-NH2 3.4Å; D182-R309 IonicContact OD2-CZ 3.28Å; D182-R309 IonicContact OD2-NE 3.6Å; D182-R309 PolarHBondContact OD2-NE 3.04Å; D182-R309 IonicContact OD2-NH2 3.35Å; D182-R309 PolarHBondContact OD2-NH2 3.35Å; D182-I310 HydrophobicContact CB-CG1 4.39Å
183	V	93.6	Very high	95.6	Very high	66 Å²	66	50.1 Å²	50.1	40%	0.4	28%	0.283	S	S	.	.			trans	-62.8	121.2	177.9	179	0	0	0	0	109.7	M169 P180 S181	M169-V183 HydrophobicContact CE-CG1 4.09Å; M169-V183 HydrophobicContact SD-CG1 4.02Å; M169-V183 HydrophobicContact SD-CG2 4.46Å; P180-V183 PolarHBondContact O-N 2.93Å; S181-V183 VanDerWaalsContact C-N 3.3Å
184	S	92.6	Very high	95.5	Very high	19 Å²	19	48.2 Å²	48.2	13%	0.133	27%	0.272	C	S	.	.			trans	-147.1	166.2	-179.4	64	0	0	0	0	109.5	D182 S186 L187 L188	D182-S184 PolarHBondContact O-N 3.21Å; S184-S186 PolarHBondContact O-N 2.81Å; S184-S186 PolarHBondContact OG-N 2.66Å; S184-L187 PolarHBondContact O-N 2.78Å; S184-L187 PolarHBondContact OG-N 3.29Å; S184-L188 PolarHBondContact O-N 2.91Å
185	E	92.8	Very high	95.5	Very high	49 Å²	49	42.6 Å²	42.6	23%	0.229	25%	0.249	C	C	.	.	H	α-helix	trans	-52.8	-35.4	169.4	-168.9	-170.2	149.1	0	0	111.3	L188 D189 W218 Y261 R265	E185-L188 PolarHBondContact O-N 3.02Å; E185-D189 VanDerWaalsContact O-CG 3.26Å; E185-D189 PolarHBondContact O-N 2.84Å; E185-W218 HydrophobicContact CB-CZ2 4.45Å; E185-W218 HydrophobicContact CG-CH2 3.76Å; E185-W218 HydrophobicContact CG-CZ2 3.42Å; E185-W218 VanDerWaalsContact CG-CZ2 3.42Å; E185-Y261 VanDerWaalsContact OE1-CE1 3.23Å; E185-Y261 WeakPolarHBondContact OE1-CE1 3.18Å; E185-Y261 VanDerWaalsContact OE1-CZ 3.28Å; E185-Y261 PolarHBondContact OE1-OH 3.35Å; E185-Y261 PolarHBondContact OE2-OH 3.26Å; E185-Y261 VanDerWaalsContact OE2-OH 3.11Å; E185-R265 VanDerWaalsContact CD-CZ 3.45Å; E185-R265 PolarHBondContact O-NH2 2.93Å; E185-R265 IonicContact OE1-CZ 3.75Å; E185-R265 IonicContact OE1-NE 3.21Å; E185-R265 IonicContact OE1-NH1 2.71Å; E185-R265 PolarHBondContact OE1-NH1 3.45Å; E185-R265 IonicContact OE1-NH2 2.78Å; E185-R265 WeakPolarHBondContact OE2-CD 3.49Å; E185-R265 IonicContact OE2-CZ 3.36Å; E185-R265 IonicContact OE2-NE 3.46Å; E185-R265 PolarHBondContact OE2-NE 2.76Å
186	S	92.3	Very high	95.4	Very high	51 Å²	51	42.3 Å²	42.3	36%	0.357	25%	0.251	S	S	.	.	H	α-helix	trans	-75.5	-34.7	-175.9	-174.8	0	0	0	0	112.4	S184 L188 K190 R265	S184-S186 PolarHBondContact O-N 2.81Å; S184-S186 PolarHBondContact OG-N 2.66Å; S186-L188 VanDerWaalsContact C-N 3.35Å; S186-K190 WeakPolarHBondContact O-CG 3.36Å; S186-K190 PolarHBondContact O-N 2.83Å; S186-R265 VanDerWaalsContact CB-NH2 3.28Å
187	L	95.6	Very high	95.4	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.01	23%	0.227	C	C	.	.	H	α-helix	trans	-69.5	-38.8	171.8	-170.2	56.9	0	0	0	110.9	M169 L178 S184 K190 C191 I310 F313 L314	M169-L187 HydrophobicContact CG-CD2 4.13Å; M169-L187 HydrophobicContact CG-CG 4.06Å; M169-L187 HydrophobicContact SD-CB 3.99Å; M169-L187 HydrophobicContact SD-CD2 3.88Å; M169-L187 HydrophobicContact SD-CG 3.69Å; L178-L187 HydrophobicContact CD1-CD2 3.76Å; L178-L187 HydrophobicContact CD2-CD2 3.96Å; S184-L187 PolarHBondContact O-N 2.78Å; S184-L187 PolarHBondContact OG-N 3.29Å; L187-K190 PolarHBondContact O-N 2.77Å; L187-C191 PolarHBondContact O-N 3.47Å; L187-C191 VanDerWaalsContact O-N 3.15Å; L187-C191 PolarHBondContact O-SG 2.86Å; L187-I310 HydrophobicContact CD1-CG1 4.36Å; L187-I310 HydrophobicContact CD1-CG2 3.88Å; L187-I310 HydrophobicContact CD2-CG1 4.44Å; L187-F313 HydrophobicContact CD1-CD1 3.9Å; L187-F313 HydrophobicContact CD1-CE1 3.92Å; L187-F313 HydrophobicContact CG-CE1 4.46Å; L187-L314 HydrophobicContact CD1-CD2 4.2Å
188	L	97.8	Very high	95.3	Very high	19 Å²	19	41.2 Å²	41.2	10%	0.099	24%	0.236	C	C	.	.	H	α-helix	trans	-60	-47.9	176.4	-164.1	159.1	0	0	0	111.1	A165 V166 M169 S184 E185 S186 K190 C191 L192 W218	A165-L188 HydrophobicContact CB-CD2 4.3Å; A165-L188 HydrophobicContact CB-CG 4.33Å; V166-L188 HydrophobicContact CG2-CD1 4.33Å; M169-L188 HydrophobicContact CE-CB 4.01Å; M169-L188 HydrophobicContact CE-CD1 4.22Å; M169-L188 HydrophobicContact CE-CG 4.05Å; M169-L188 HydrophobicContact SD-CB 4.48Å; S184-L188 PolarHBondContact O-N 2.91Å; E185-L188 PolarHBondContact O-N 3.02Å; S186-L188 VanDerWaalsContact C-N 3.35Å; L188-K190 PolarHBondContact O-N 2.88Å; L188-C191 WeakPolarHBondContact O-CA 3.46Å; L188-C191 WeakPolarHBondContact O-CB 3.5Å; L188-C191 PolarHBondContact O-N 2.87Å; L188-L192 HydrophobicContact CD2-CD1 4.39Å; L188-L192 HydrophobicContact CD2-CD2 3.85Å; L188-L192 HydrophobicContact CD2-CG 4.09Å; L188-L192 PolarHBondContact O-N 2.81Å; L188-W218 HydrophobicContact CB-CH2 4.38Å; L188-W218 HydrophobicContact CB-CZ2 4.33Å; L188-W218 HydrophobicContact CD1-CH2 3.8Å; L188-W218 HydrophobicContact CD1-CZ2 4.45Å; L188-W218 HydrophobicContact CD1-CZ3 3.93Å; L188-W218 HydrophobicContact CD2-CD2 3.96Å; L188-W218 HydrophobicContact CD2-CE3 4.02Å; L188-W218 HydrophobicContact CD2-CH2 3.82Å; L188-W218 HydrophobicContact CD2-CZ2 3.73Å; L188-W218 HydrophobicContact CD2-CZ3 3.96Å; L188-W218 HydrophobicContact CG-CH2 4.21Å; L188-W218 HydrophobicContact CG-CZ2 4.38Å
189	D	96.1	Very high	95.3	Very high	40 Å²	40	44.7 Å²	44.7	21%	0.214	26%	0.255	C	S	.	.	H	α-helix	trans	-48	-45.9	175.1	-69.1	-28.9	0	0	0	111.8	E185 C191 L192 W218 R265	E185-D189 VanDerWaalsContact O-CG 3.26Å; E185-D189 PolarHBondContact O-N 2.84Å; D189-C191 VanDerWaalsContact C-N 3.28Å; D189-C191 PolarHBondContact O-N 3.46Å; D189-L192 PolarHBondContact O-N 2.88Å; D189-W218 PolarHBondContact OD1-NE1 2.93Å; D189-R265 IonicContact OD2-CZ 2.66Å; D189-R265 IonicContact OD2-NH1 3.33Å; D189-R265 PolarHBondContact OD2-NH1 2.82Å; D189-R265 IonicContact OD2-NH2 3.97Å; D189-R265 PolarHBondContact OD2-NH2 3.4Å
190	K	97.3	Very high	95.5	Very high	84 Å²	84	41.6 Å²	41.6	37%	0.365	24%	0.241	S	C	.	.	H	α-helix	trans	-75.8	-15	-178	-62.4	178.8	-174.4	-176.9	0	113.6	S186 L187 L188 S195 L314	S186-K190 WeakPolarHBondContact O-CG 3.36Å; S186-K190 PolarHBondContact O-N 2.83Å; L187-K190 PolarHBondContact O-N 2.77Å; L188-K190 PolarHBondContact O-N 2.88Å; K190-S195 WeakPolarHBondContact O-CB 3.32Å; K190-L314 HydrophobicContact CB-CD2 3.64Å; K190-L314 HydrophobicContact CD-CD1 3.5Å; K190-L314 VanDerWaalsContact CD-CD1 3.5Å; K190-L314 HydrophobicContact CD-CD2 4.14Å; K190-L314 HydrophobicContact CD-CG 4.47Å
191	C	98.4	Very high	95.8	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-94.6	-10.5	177	-64	0	0	0	0	113.4	A165 M169 L187 L188 D189 F313 L317 R321	A165-C191 HydrophobicContact CB-CB 3.68Å; M169-C191 HydrophobicContact CG-CB 4.48Å; L187-C191 PolarHBondContact O-N 3.47Å; L187-C191 VanDerWaalsContact O-N 3.15Å; L187-C191 PolarHBondContact O-SG 2.86Å; L188-C191 WeakPolarHBondContact O-CA 3.46Å; L188-C191 WeakPolarHBondContact O-CB 3.5Å; L188-C191 PolarHBondContact O-N 2.87Å; D189-C191 VanDerWaalsContact C-N 3.28Å; D189-C191 PolarHBondContact O-N 3.46Å; C191-F313 VanDerWaalsContact SG-CE1 3.59Å; C191-L317 HydrophobicContact CB-CD2 4.46Å; C191-R321 VanDerWaalsContact C-NH2 3.31Å; C191-R321 PolarHBondContact O-NH2 3.06Å
192	L	98.5	Very high	96.2	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.01	19%	0.193	C	C	.	.	S	Bend	trans	-63.8	162	172.5	-62.9	172.2	0	0	0	110.9	E161 I162 A165 L188 D189 T194 S195 W218 Q219 R321	E161-L192 HydrophobicContact CG-CB 4.25Å; E161-L192 HydrophobicContact CG-CD2 3.68Å; I162-L192 HydrophobicContact CG1-CD2 4.35Å; A165-L192 HydrophobicContact CB-CD2 3.97Å; L188-L192 HydrophobicContact CD2-CD1 4.39Å; L188-L192 HydrophobicContact CD2-CD2 3.85Å; L188-L192 HydrophobicContact CD2-CG 4.09Å; L188-L192 PolarHBondContact O-N 2.81Å; D189-L192 PolarHBondContact O-N 2.88Å; L192-T194 PolarHBondContact O-N 2.81Å; L192-S195 WeakPolarHBondContact O-CB 3.4Å; L192-S195 PolarHBondContact O-N 3.35Å; L192-W218 HydrophobicContact CD1-CB 4.41Å; L192-W218 VanDerWaalsContact CD1-CD1 3.46Å; L192-W218 HydrophobicContact CD1-CG 3.94Å; L192-Q219 HydrophobicContact CD1-CG 4.37Å; L192-R321 PolarHBondContact O-NH2 3.35Å
193	Y	98.1	Very high	96.5	Very high	47 Å²	47	34.7 Å²	34.7	18%	0.184	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-30.5	173.1	-54.6	-43.4	0	0	0	110.6	L121 Y156 E161 N164 S195	L121-Y193 WeakPolarHBondContact CD2-O 3.47Å; Y156-Y193 HydrophobicContact CD2-CD2 4.04Å; Y156-Y193 HydrophobicContact CD2-CE2 4.44Å; Y156-Y193 HydrophobicContact CE2-CD2 4.01Å; E161-Y193 HydrophobicContact CB-CD2 3.73Å; E161-Y193 HydrophobicContact CB-CE2 3.68Å; E161-Y193 HydrophobicContact CG-CD2 3.5Å; E161-Y193 HydrophobicContact CG-CE2 3.9Å; E161-Y193 HydrophobicContact CG-CG 3.96Å; E161-Y193 WeakPolarHBondContact OE1-CA 3.36Å; E161-Y193 VanDerWaalsContact OE1-CB 3.32Å; E161-Y193 WeakPolarHBondContact OE1-CB 3.45Å; E161-Y193 PolarHBondContact OE1-N 3.03Å; N164-Y193 HydrophobicContact CB-CE1 4.33Å; N164-Y193 WeakPolarHBondContact ND2-CE1 3.47Å; Y193-S195 PolarHBondContact O-N 3.46Å
194	T	97.8	Very high	96.7	Very high	9 Å²	9	31.6 Å²	31.6	6%	0.055	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	12.5	177.5	62.1	0	0	0	0	114.4	L121 E161 L192 N196 S197 L216 Q219	L121-T194 HydrophobicContact CD1-CG2 3.63Å; E161-T194 PolarHBondContact OE1-N 3.22Å; L192-T194 PolarHBondContact O-N 2.81Å; T194-N196 PolarHBondContact O-N 3.17Å; T194-S197 WeakPolarHBondContact O-CB 3.29Å; T194-S197 PolarHBondContact O-N 3.14Å; T194-L216 HydrophobicContact CG2-CD2 3.89Å; T194-Q219 HydrophobicContact CG2-CG 4.45Å; T194-Q219 WeakPolarHBondContact OG1-CG 3.44Å; T194-Q219 PolarHBondContact OG1-NE2 2.8Å
195	S	96.4	Very high	97	Very high	34 Å²	34	31 Å²	31	24%	0.238	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-21.8	-172.3	63.3	0	0	0	0	115	K190 L192 Y193 S197 R321	K190-S195 WeakPolarHBondContact O-CB 3.32Å; L192-S195 WeakPolarHBondContact O-CB 3.4Å; L192-S195 PolarHBondContact O-N 3.35Å; Y193-S195 PolarHBondContact O-N 3.46Å; S195-S197 VanDerWaalsContact C-N 3.33Å; S195-R321 PolarHBondContact OG-NH1 3.47Å
196	N	94.9	Very high	97.3	Very high	105 Å²	105	28.7 Å²	28.7	56%	0.561	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.6	11.6	-179.4	-63.1	-9.6	0	0	0	112.8	R119 T194	R119-N196 VanDerWaalsContact NH1-C 3.28Å; R119-N196 PolarHBondContact NH1-O 3.5Å; R119-N196 PolarHBondContact NH2-O 2.83Å; T194-N196 PolarHBondContact O-N 3.17Å
197	S	96.5	Very high	97.5	Very high	18 Å²	18	26.6 Å²	26.6	13%	0.126	14%	0.144	C	C	.	.	S	Bend	trans	-129	140.4	-176.2	-59.6	0	0	0	0	109.4	E72 R119 N151 T194 S195	E72-S197 WeakPolarHBondContact OE1-CB 3.47Å; E72-S197 PolarHBondContact OE1-OG 3.13Å; R119-S197 PolarHBondContact NH1-OG 2.85Å; N151-S197 PolarHBondContact ND2-OG 3.16Å; T194-S197 WeakPolarHBondContact O-CB 3.29Å; T194-S197 PolarHBondContact O-N 3.14Å; S195-S197 VanDerWaalsContact C-N 3.33Å
198	P	95.8	Very high	97.5	Very high	76 Å²	76	28.4 Å²	28.4	49%	0.494	16%	0.163	S	C	.	.	P	Polyproline II helix	trans	-65.5	159	163.8	31.8	-33.4	0	0	0	109.9	H28 E72	H28-P198 HydrophobicContact CB-CG 4.41Å; H28-P198 PolarHBondContact CE1-O 3.34Å; H28-P198 PolarHBondContact ND1-O 3.4Å; E72-P198 VanDerWaalsContact OE2-CD 3.24Å; E72-P198 WeakPolarHBondContact OE2-CD 3.47Å
199	D	97.4	Very high	97.5	Very high	80 Å²	80	29.8 Å²	29.8	43%	0.428	17%	0.169	S	C	.	.	P	Polyproline II helix	trans	-56.9	143.3	172.5	-71	-27	0	0	0	111.3	D201 Q219	D199-D201 PolarHBondContact O-N 2.97Å; D199-Q219 WeakPolarHBondContact CB-O 3.17Å; D199-Q219 WeakPolarHBondContact OD1-CA 3.32Å
200	P	98.4	Very high	97.6	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.013	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-56.9	136.1	175.5	-22.7	31.9	0	0	0	111.6	A30 L202 L216 T220 S223	A30-P200 HydrophobicContact CB-CB 3.93Å; A30-P200 HydrophobicContact CB-CG 3.91Å; P200-L202 VanDerWaalsContact C-N 3.34Å; P200-L216 HydrophobicContact CG-CD1 3.95Å; P200-T220 HydrophobicContact CB-CG2 4.21Å; P200-T220 HydrophobicContact CG-CG2 3.88Å; P200-S223 VanDerWaalsContact O-CB 3.31Å; P200-S223 WeakPolarHBondContact O-CB 3.44Å; P200-S223 PolarHBondContact O-OG 3.39Å
201	D	98.5	Very high	97.6	Very high	21 Å²	21	35.5 Å²	35.5	11%	0.112	20%	0.198	C	C	.	.	S	Bend	trans	-74.8	-33.3	170.2	-72	-52.9	0	0	0	111.3	P26 K27 H28 D199 C224 F247 R258	P26-D201 HydrophobicContact CB-CB 3.61Å; K27-D201 PolarHBondContact N-OD2 3.41Å; H28-D201 PolarHBondContact N-OD2 2.97Å; H28-D201 PolarHBondContact O-N 3.43Å; D199-D201 PolarHBondContact O-N 2.97Å; D201-C224 PolarHBondContact O-N 3.01Å; D201-F247 HydrophobicContact CB-CD2 4.26Å; D201-F247 HydrophobicContact CB-CE2 3.69Å; D201-F247 HydrophobicContact CB-CZ 4.18Å; D201-R258 IonicContact OD1-CZ 3.9Å; D201-R258 IonicContact OD1-NH1 3.34Å; D201-R258 PolarHBondContact OD1-NH1 2.75Å; D201-R258 IonicContact OD1-NH2 3.36Å
202	L	98.7	Very high	97.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	124.2	-171.4	173.8	59.3	0	0	0	109.5	P26 V29 A30 P200 I204 C224 V226 A243 I244 F247	P26-L202 HydrophobicContact CB-CB 4.38Å; V29-L202 CarbonylContact C-O 3.53Å; V29-L202 WeakPolarHBondContact CA-O 3.35Å; V29-L202 HydrophobicContact CG1-CB 4.34Å; V29-L202 HydrophobicContact CG1-CD2 4.23Å; V29-L202 HydrophobicContact CG1-CG 4.18Å; V29-L202 HydrophobicContact CG2-CB 4.3Å; V29-L202 HydrophobicContact CG2-CD2 4.35Å; A30-L202 PolarHBondContact N-O 3.48Å; P200-L202 VanDerWaalsContact C-N 3.34Å; L202-I204 HydrophobicContact CD1-CG1 4.09Å; L202-I204 HydrophobicContact CD2-CD1 3.88Å; L202-I204 HydrophobicContact CD2-CG1 4.16Å; L202-I204 HydrophobicContact CG-CD1 4.08Å; L202-I204 HydrophobicContact CG-CG1 3.82Å; L202-C224 WeakPolarHBondContact CA-O 3.24Å; L202-C224 HydrophobicContact CD1-CB 4.02Å; L202-C224 WeakPolarHBondContact CD1-O 3.37Å; L202-V226 HydrophobicContact CD1-CB 4.08Å; L202-V226 HydrophobicContact CD1-CG2 3.49Å; L202-V226 VanDerWaalsContact CD1-CG2 3.49Å; L202-A243 HydrophobicContact CD2-CB 3.99Å; L202-I244 HydrophobicContact CD2-CG1 4.38Å; L202-F247 HydrophobicContact CD1-CB 4.45Å; L202-F247 HydrophobicContact CD2-CB 4.4Å
203	L	98.8	Very high	97.5	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.021	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	119.6	170.4	178.2	67.1	0	0	0	109.4	A30 I32 L212 F215 T220 C224 L225 V226	A30-L203 HydrophobicContact CB-CD1 3.52Å; A30-L203 WeakPolarHBondContact O-CA 3.5Å; I32-L203 HydrophobicContact CD1-CD1 4.45Å; I32-L203 HydrophobicContact CD1-CD2 4.44Å; I32-L203 HydrophobicContact CG1-CD1 4.25Å; L203-L212 HydrophobicContact CD2-CD2 3.52Å; L203-F215 HydrophobicContact CD1-CD1 3.75Å; L203-F215 HydrophobicContact CD1-CE1 3.68Å; L203-T220 HydrophobicContact CB-CG2 4.14Å; L203-T220 HydrophobicContact CD2-CG2 4.08Å; L203-T220 HydrophobicContact CG-CG2 4.48Å; L203-C224 PolarHBondContact N-O 3.05Å; L203-L225 HydrophobicContact CB-CD2 3.89Å; L203-L225 HydrophobicContact CD2-CD2 3.93Å; L203-L225 HydrophobicContact CG-CD2 4.43Å; L203-V226 PolarHBondContact O-N 3.21Å
204	I	98.9	Very high	97.5	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	131.3	-179.2	-59.4	170.2	0	0	0	109.1	V29 A30 F31 I32 L202 V226 Y235 L240 A243	V29-I204 HydrophobicContact CG1-CD1 3.75Å; V29-I204 HydrophobicContact CG1-CG1 4.29Å; A30-I204 PolarHBondContact O-N 3.36Å; F31-I204 CarbonylContact C-O 3.6Å; F31-I204 WeakPolarHBondContact CA-O 3.33Å; F31-I204 HydrophobicContact CD1-CB 3.85Å; F31-I204 HydrophobicContact CD1-CD1 4.15Å; F31-I204 HydrophobicContact CD1-CG2 4.13Å; F31-I204 HydrophobicContact CE1-CB 4.08Å; F31-I204 HydrophobicContact CE1-CD1 3.48Å; F31-I204 VanDerWaalsContact CE1-CD1 3.48Å; F31-I204 HydrophobicContact CE1-CG1 4.32Å; F31-I204 HydrophobicContact CE1-CG2 4.3Å; F31-I204 HydrophobicContact CZ-CD1 3.91Å; I32-I204 PolarHBondContact N-O 3.02Å; L202-I204 HydrophobicContact CD1-CG1 4.09Å; L202-I204 HydrophobicContact CD2-CD1 3.88Å; L202-I204 HydrophobicContact CD2-CG1 4.16Å; L202-I204 HydrophobicContact CG-CD1 4.08Å; L202-I204 HydrophobicContact CG-CG1 3.82Å; I204-V226 CarbonylContact C-O 3.57Å; I204-V226 WeakPolarHBondContact CA-O 3.37Å; I204-V226 HydrophobicContact CG1-CB 4.4Å; I204-Y235 HydrophobicContact CG2-CE2 4.4Å; I204-L240 HydrophobicContact CD1-CD1 4.05Å; I204-A243 HydrophobicContact CD1-CB 3.48Å; I204-A243 VanDerWaalsContact CD1-CB 3.48Å; I204-A243 HydrophobicContact CG1-CB 3.87Å
205	R	98.8	Very high	97.5	Very high	6 Å²	6	38.8 Å²	38.8	2%	0.023	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	127.8	168.4	176.9	167.8	-174.4	167.6	-1.3	111.1	I32 D34 E209 R211 S213 V226 F227 Q228	I32-R205 HydrophobicContact CB-CB 3.96Å; I32-R205 HydrophobicContact CB-CG 3.92Å; I32-R205 HydrophobicContact CD1-CB 4.22Å; I32-R205 HydrophobicContact CD1-CG 4.44Å; I32-R205 HydrophobicContact CG2-CG 4Å; D34-R205 IonicContact OD2-CZ 3.64Å; D34-R205 IonicContact OD2-NE 2.69Å; D34-R205 IonicContact OD2-NH2 3.39Å; D34-R205 PolarHBondContact OD2-NH2 3.33Å; R205-E209 WeakPolarHBondContact CD-O 3.26Å; R205-E209 VanDerWaalsContact CZ-CB 3.43Å; R205-E209 VanDerWaalsContact NH2-CB 3.32Å; R205-R211 WeakPolarHBondContact CD-O 3.31Å; R205-R211 VanDerWaalsContact NH1-C 3.34Å; R205-R211 PolarHBondContact NH1-O 3.24Å; R205-S213 PolarHBondContact NH1-OG 3.41Å; R205-S213 PolarHBondContact NH2-OG 3.44Å; R205-V226 PolarHBondContact N-O 2.66Å; R205-F227 HydrophobicContact CB-CD1 3.82Å; R205-F227 HydrophobicContact CB-CE1 4.13Å; R205-F227 HydrophobicContact CG-CD1 4.33Å; R205-F227 WeakPolarHBondContact O-CA 3.48Å; R205-Q228 PolarHBondContact O-N 3.33Å
206	T	98.6	Very high	97.6	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.006	21%	0.211	C	C	.	.			trans	-85.7	175.8	174.6	50.5	0	0	0	0	112	I32 D34 G208 Q228 V230 W232 Y235	I32-T206 PolarHBondContact O-N 3.34Å; I32-T206 PolarHBondContact O-OG1 3.16Å; D34-T206 PolarHBondContact N-OG1 3.22Å; D34-T206 PolarHBondContact O-OG1 3.5Å; T206-G208 PolarHBondContact O-N 3.03Å; T206-Q228 CarbonylContact C-O 3.57Å; T206-Q228 VanDerWaalsContact C-O 3.24Å; T206-Q228 WeakPolarHBondContact CA-O 3.33Å; T206-V230 VanDerWaalsContact CB-O 3.24Å; T206-V230 WeakPolarHBondContact CB-O 3.45Å; T206-V230 HydrophobicContact CG2-CG1 4.24Å; T206-W232 HydrophobicContact CG2-CE3 3.85Å; T206-Y235 HydrophobicContact CG2-CD2 3.54Å; T206-Y235 HydrophobicContact CG2-CE2 3.72Å; T206-Y235 HydrophobicContact CG2-CG 4.49Å
207	S	97	Very high	97.8	Very high	8 Å²	8	35.3 Å²	35.3	6%	0.056	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.9	7.1	173.5	77.5	0	0	0	0	118.1	D34 R38 E209 Q228 V230	D34-S207 WeakPolarHBondContact CB-OG 3.37Å; D34-S207 PolarHBondContact OD2-OG 3.31Å; R38-S207 PolarHBondContact NH1-O 3.34Å; R38-S207 PolarHBondContact NH2-OG 3.34Å; S207-E209 VanDerWaalsContact C-N 3.28Å; S207-E209 PolarHBondContact O-N 2.96Å; S207-Q228 PolarHBondContact N-O 2.93Å; S207-V230 PolarHBondContact N-O 3.41Å
208	G	95.5	Very high	97.9	Very high	40 Å²	40	37.8 Å²	37.8	41%	0.412	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.4	0.4	174	0	0	0	0	0	115.3	T206 Q228	T206-G208 PolarHBondContact O-N 3.03Å; G208-Q228 PolarHBondContact N-O 3.26Å
209	E	97.3	Very high	98	Very high	48 Å²	48	34.3 Å²	34.3	22%	0.224	18%	0.184	C	C	.	.			trans	-76.4	129.1	176.8	-55	-64.2	140.5	0	0	111	R38 R205 S207 R211 F227	R38-E209 IonicContact CZ-OE1 3.35Å; R38-E209 IonicContact NH1-OE1 3.92Å; R38-E209 PolarHBondContact NH1-OE1 3.31Å; R38-E209 IonicContact NH2-OE1 2.76Å; R38-E209 PolarHBondContact NH2-OE1 2.85Å; R205-E209 WeakPolarHBondContact CD-O 3.26Å; R205-E209 VanDerWaalsContact CZ-CB 3.43Å; R205-E209 VanDerWaalsContact NH2-CB 3.32Å; S207-E209 VanDerWaalsContact C-N 3.28Å; S207-E209 PolarHBondContact O-N 2.96Å; E209-R211 PolarHBondContact O-N 3.37Å; E209-R211 IonicContact OE2-CZ 3.18Å; E209-R211 IonicContact OE2-NH1 3.68Å; E209-R211 PolarHBondContact OE2-NH1 3.33Å; E209-R211 IonicContact OE2-NH2 3.47Å; E209-R211 PolarHBondContact OE2-NH2 3.2Å; E209-F227 WeakPolarHBondContact O-CD1 3.5Å
210	V	97.8	Very high	98.1	Very high	118 Å²	118	30.9 Å²	30.9	72%	0.715	17%	0.166	S	C	*	.			trans	-102.5	52.6	-176.4	-66.7	0	0	0	0	112.9	F227	V210-F227 HydrophobicContact CG1-CB 4.2Å; V210-F227 HydrophobicContact CG1-CD2 4.41Å; V210-F227 HydrophobicContact CG1-CG 4.15Å
211	R	97.9	Very high	98	Very high	126 Å²	126	34.4 Å²	34.4	48%	0.475	19%	0.191	S	C	.	.	S	Bend	trans	-141.8	166.5	175.3	69.2	-174.4	166.3	-77.3	-4.6	111	R205 E209	R205-R211 WeakPolarHBondContact CD-O 3.31Å; R205-R211 VanDerWaalsContact NH1-C 3.34Å; R205-R211 PolarHBondContact NH1-O 3.24Å; E209-R211 PolarHBondContact O-N 3.37Å; E209-R211 IonicContact OE2-CZ 3.18Å; E209-R211 IonicContact OE2-NH1 3.68Å; E209-R211 PolarHBondContact OE2-NH1 3.33Å; E209-R211 IonicContact OE2-NH2 3.47Å; E209-R211 PolarHBondContact OE2-NH2 3.2Å
212	L	97.5	Very high	97.9	Very high	42 Å²	42	36 Å²	36	22%	0.22	20%	0.198	C	C	.	.			trans	-91.2	-18.2	178.6	-59	-174.6	0	0	0	113.8	I32 L203 D214 F215 L217 F227	I32-L212 WeakPolarHBondContact CD1-O 3.38Å; L203-L212 HydrophobicContact CD2-CD2 3.52Å; L212-D214 VanDerWaalsContact C-N 3.28Å; L212-D214 PolarHBondContact O-N 3.34Å; L212-F215 VanDerWaalsContact O-CB 3.29Å; L212-F215 WeakPolarHBondContact O-CB 3.33Å; L212-F215 PolarHBondContact O-N 2.85Å; L212-L217 HydrophobicContact CB-CD2 3.86Å; L212-L217 HydrophobicContact CD1-CD2 3.74Å; L212-L217 HydrophobicContact CG-CD2 4.44Å; L212-F227 HydrophobicContact CD2-CZ 4.26Å
213	S	96.7	Very high	97.9	Very high	49 Å²	49	36.4 Å²	36.4	34%	0.343	20%	0.201	S	C	.	.			trans	52.6	42.7	-179	-67.7	0	0	0	0	113.7	R205 F215	R205-S213 PolarHBondContact NH1-OG 3.41Å; R205-S213 PolarHBondContact NH2-OG 3.44Å; S213-F215 PolarHBondContact O-N 3.36Å
214	D	98.1	Very high	97.8	Very high	36 Å²	36	36.5 Å²	36.5	19%	0.193	20%	0.202	C	C	.	.	S	Bend	trans	59.4	43.5	177.8	-153.1	-15.1	0	0	0	113.2	S158 R159 L212	S158-D214 WeakPolarHBondContact CA-OD1 3.35Å; S158-D214 VanDerWaalsContact CB-OD1 3.27Å; S158-D214 WeakPolarHBondContact CB-OD1 3.49Å; S158-D214 PolarHBondContact N-O 2.93Å; S158-D214 PolarHBondContact N-OD1 3.24Å; R159-D214 WeakPolarHBondContact CD-OD2 3.14Å; R159-D214 WeakPolarHBondContact CG-OD2 3.42Å; R159-D214 PolarHBondContact N-OD1 2.71Å; L212-D214 VanDerWaalsContact C-N 3.28Å; L212-D214 PolarHBondContact O-N 3.34Å
215	F	98.7	Very high	97.8	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.22	C	C	.	.	S	Bend	trans	-119.3	123.8	-179.5	-172.7	-121.6	0	0	0	111.3	A30 I32 T74 Y76 C153 Y156 L203 L212 S213 L217	A30-F215 HydrophobicContact CB-CE1 4.18Å; I32-F215 HydrophobicContact CD1-CB 4.09Å; I32-F215 HydrophobicContact CD1-CD1 3.81Å; I32-F215 HydrophobicContact CD1-CG 4.34Å; I32-F215 HydrophobicContact CG1-CB 4.31Å; I32-F215 HydrophobicContact CG1-CD1 3.37Å; I32-F215 HydrophobicContact CG1-CE1 3.89Å; I32-F215 HydrophobicContact CG1-CG 4.07Å; T74-F215 HydrophobicContact CG2-CZ 4.05Å; Y76-F215 VanDerWaalsContact CB-CE2 3.48Å; Y76-F215 HydrophobicContact CD1-CB 3.59Å; Y76-F215 HydrophobicContact CD1-CD1 4.28Å; Y76-F215 AromaticContact CD1-CD2 3.36Å; Y76-F215 HydrophobicContact CD1-CD2 3.36Å; Y76-F215 HydrophobicContact CD1-CE2 4.07Å; Y76-F215 AromaticContact CD1-CG 3.48Å; Y76-F215 HydrophobicContact CD1-CG 3.48Å; Y76-F215 VanDerWaalsContact CD1-CG 3.48Å; Y76-F215 AromaticContact CD2-CD2 3.82Å; Y76-F215 HydrophobicContact CD2-CD2 3.82Å; Y76-F215 HydrophobicContact CD2-CE2 4.01Å; Y76-F215 HydrophobicContact CE1-CB 3.57Å; Y76-F215 AromaticContact CE1-CD2 3.77Å; Y76-F215 HydrophobicContact CE1-CD2 3.77Å; Y76-F215 AromaticContact CE1-CG 3.92Å; Y76-F215 HydrophobicContact CE1-CG 3.92Å; Y76-F215 HydrophobicContact CE2-CD2 4.19Å; Y76-F215 HydrophobicContact CG-CB 4.47Å; Y76-F215 AromaticContact CG-CD2 3.36Å; Y76-F215 HydrophobicContact CG-CD2 3.36Å; Y76-F215 AromaticContact CG-CE2 3.61Å; Y76-F215 HydrophobicContact CG-CE2 3.61Å; Y76-F215 AromaticContact CG-CG 3.92Å; Y76-F215 HydrophobicContact CG-CG 3.92Å; Y76-F215 HydrophobicContact CG-CZ 4.32Å; C153-F215 HydrophobicContact CB-CE2 3.82Å; Y156-F215 HydrophobicContact CD1-CD2 4.02Å; Y156-F215 HydrophobicContact CD1-CE2 4.44Å; Y156-F215 AromaticContact CE1-CD2 3.74Å; Y156-F215 HydrophobicContact CE1-CD2 3.74Å; Y156-F215 HydrophobicContact CE1-CE2 4.28Å; L203-F215 HydrophobicContact CD1-CD1 3.75Å; L203-F215 HydrophobicContact CD1-CE1 3.68Å; L212-F215 VanDerWaalsContact O-CB 3.29Å; L212-F215 WeakPolarHBondContact O-CB 3.33Å; L212-F215 PolarHBondContact O-N 2.85Å; S213-F215 PolarHBondContact O-N 3.36Å; F215-L217 PolarHBondContact O-N 3.18Å; F215-L217 VanDerWaalsContact O-N 3.09Å
216	L	98.5	Very high	97.8	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	22%	0.22	C	C	.	.	S	Bend	trans	45.1	41.4	175.1	-59.3	178.3	0	0	0	114.1	A30 T74 Y156 T194 P200 W218 Q219 T220	A30-L216 HydrophobicContact CB-CD1 3.72Å; T74-L216 HydrophobicContact CG2-CD1 3.91Å; Y156-L216 PolarHBondContact OH-N 3.33Å; T194-L216 HydrophobicContact CG2-CD2 3.89Å; P200-L216 HydrophobicContact CG-CD1 3.95Å; L216-W218 VanDerWaalsContact C-N 3.25Å; L216-W218 PolarHBondContact O-N 3.46Å; L216-Q219 VanDerWaalsContact C-OE1 3.28Å; L216-Q219 HydrophobicContact CB-CB 4.31Å; L216-Q219 HydrophobicContact CD2-CG 4.35Å; L216-Q219 PolarHBondContact O-N 3.19Å; L216-T220 HydrophobicContact CB-CG2 3.77Å; L216-T220 HydrophobicContact CD1-CG2 4.43Å; L216-T220 WeakPolarHBondContact O-CB 3.39Å; L216-T220 WeakPolarHBondContact O-CG2 3.23Å; L216-T220 PolarHBondContact O-N 3.39Å; L216-T220 PolarHBondContact O-OG1 2.85Å
217	L	98.6	Very high	97.8	Very high	65 Å²	65	42.8 Å²	42.8	34%	0.34	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-37.1	-172.3	-61	176.8	0	0	0	111.7	S158 L212 F215	S158-L217 WeakPolarHBondContact OG-CB 3.35Å; S158-L217 PolarHBondContact OG-N 3.37Å; L212-L217 HydrophobicContact CB-CD2 3.86Å; L212-L217 HydrophobicContact CD1-CD2 3.74Å; L212-L217 HydrophobicContact CG-CD2 4.44Å; F215-L217 PolarHBondContact O-N 3.18Å; F215-L217 VanDerWaalsContact O-N 3.09Å
218	W	98.4	Very high	97.9	Very high	70 Å²	70	42.8 Å²	42.8	27%	0.265	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-55.1	177.8	-177	-80	0	0	0	111.1	I162 E185 L188 D189 L192 L216 T220 S221	I162-W218 HydrophobicContact CD1-CB 4.29Å; I162-W218 HydrophobicContact CG1-CB 4.44Å; E185-W218 HydrophobicContact CB-CZ2 4.45Å; E185-W218 HydrophobicContact CG-CH2 3.76Å; E185-W218 HydrophobicContact CG-CZ2 3.42Å; E185-W218 VanDerWaalsContact CG-CZ2 3.42Å; L188-W218 HydrophobicContact CB-CH2 4.38Å; L188-W218 HydrophobicContact CB-CZ2 4.33Å; L188-W218 HydrophobicContact CD1-CH2 3.8Å; L188-W218 HydrophobicContact CD1-CZ2 4.45Å; L188-W218 HydrophobicContact CD1-CZ3 3.93Å; L188-W218 HydrophobicContact CD2-CD2 3.96Å; L188-W218 HydrophobicContact CD2-CE3 4.02Å; L188-W218 HydrophobicContact CD2-CH2 3.82Å; L188-W218 HydrophobicContact CD2-CZ2 3.73Å; L188-W218 HydrophobicContact CD2-CZ3 3.96Å; L188-W218 HydrophobicContact CG-CH2 4.21Å; L188-W218 HydrophobicContact CG-CZ2 4.38Å; D189-W218 PolarHBondContact OD1-NE1 2.93Å; L192-W218 HydrophobicContact CD1-CB 4.41Å; L192-W218 VanDerWaalsContact CD1-CD1 3.46Å; L192-W218 HydrophobicContact CD1-CG 3.94Å; L216-W218 VanDerWaalsContact C-N 3.25Å; L216-W218 PolarHBondContact O-N 3.46Å; W218-T220 VanDerWaalsContact C-N 3.27Å; W218-T220 PolarHBondContact O-N 3.34Å; W218-S221 PolarHBondContact O-N 2.87Å; W218-S221 PolarHBondContact O-OG 3.21Å
219	Q	98.5	Very high	98	Very high	3 Å²	3	45.9 Å²	45.9	1%	0.014	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-26.8	-173.4	-55.7	87.5	-25.5	0	0	112.6	E161 L192 T194 D199 L216	E161-Q219 VanDerWaalsContact CD-NE2 3.35Å; E161-Q219 PolarHBondContact OE1-NE2 2.8Å; E161-Q219 PolarHBondContact OE2-NE2 3.08Å; L192-Q219 HydrophobicContact CD1-CG 4.37Å; T194-Q219 HydrophobicContact CG2-CG 4.45Å; T194-Q219 WeakPolarHBondContact OG1-CG 3.44Å; T194-Q219 PolarHBondContact OG1-NE2 2.8Å; D199-Q219 WeakPolarHBondContact CB-O 3.17Å; D199-Q219 WeakPolarHBondContact OD1-CA 3.32Å; L216-Q219 VanDerWaalsContact C-OE1 3.28Å; L216-Q219 HydrophobicContact CB-CB 4.31Å; L216-Q219 HydrophobicContact CD2-CG 4.35Å; L216-Q219 PolarHBondContact O-N 3.19Å
220	T	98.2	Very high	98.1	Very high	7 Å²	7	44.9 Å²	44.9	4%	0.043	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	11.3	-175.4	63	0	0	0	0	115.2	P200 L203 L216 W218 H222 S223	P200-T220 HydrophobicContact CB-CG2 4.21Å; P200-T220 HydrophobicContact CG-CG2 3.88Å; L203-T220 HydrophobicContact CB-CG2 4.14Å; L203-T220 HydrophobicContact CD2-CG2 4.08Å; L203-T220 HydrophobicContact CG-CG2 4.48Å; L216-T220 HydrophobicContact CB-CG2 3.77Å; L216-T220 HydrophobicContact CD1-CG2 4.43Å; L216-T220 WeakPolarHBondContact O-CB 3.39Å; L216-T220 WeakPolarHBondContact O-CG2 3.23Å; L216-T220 PolarHBondContact O-N 3.39Å; L216-T220 PolarHBondContact O-OG1 2.85Å; W218-T220 VanDerWaalsContact C-N 3.27Å; W218-T220 PolarHBondContact O-N 3.34Å; T220-H222 PolarHBondContact O-N 3.45Å; T220-H222 VanDerWaalsContact O-N 3.16Å; T220-S223 VanDerWaalsContact CA-OG 3.24Å; T220-S223 WeakPolarHBondContact CA-OG 3.25Å; T220-S223 PolarHBondContact O-N 3.25Å
221	S	97	Very high	98.1	Very high	77 Å²	77	40.3 Å²	40.3	54%	0.538	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-32.9	179.7	61.9	0	0	0	0	113.8	W218	W218-S221 PolarHBondContact O-N 2.87Å; W218-S221 PolarHBondContact O-OG 3.21Å
222	H	96.5	Very high	98.2	Very high	54 Å²	54	34.4 Å²	34.4	25%	0.25	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.6	29.8	179	-64.3	82	0	0	0	112.4	T220 R258 Y261	T220-H222 PolarHBondContact O-N 3.45Å; T220-H222 VanDerWaalsContact O-N 3.16Å; H222-R258 HydrophobicContact CB-CG 3.77Å; H222-R258 VanDerWaalsContact O-CZ 3.31Å; H222-R258 PolarHBondContact O-NE 3.44Å; H222-R258 PolarHBondContact O-NH2 3.34Å; H222-Y261 AromaticContact CE1-CD2 3.88Å; H222-Y261 AromaticContact CE1-CG 3.86Å
223	S	98	Very high	98.2	Very high	9 Å²	9	33 Å²	33	6%	0.063	19%	0.186	C	C	.	.	S	Bend	trans	-91	158.1	174.5	-54.6	0	0	0	0	111.8	P200 T220 L225	P200-S223 VanDerWaalsContact O-CB 3.31Å; P200-S223 WeakPolarHBondContact O-CB 3.44Å; P200-S223 PolarHBondContact O-OG 3.39Å; T220-S223 VanDerWaalsContact CA-OG 3.24Å; T220-S223 WeakPolarHBondContact CA-OG 3.25Å; T220-S223 PolarHBondContact O-N 3.25Å; S223-L225 PolarHBondContact O-N 3.11Å
224	C	98.5	Very high	98.3	Very high	6 Å²	6	33.9 Å²	33.9	4%	0.041	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	123.3	165	-172.8	0	0	0	0	109.3	D201 L202 L203 F247 L254	D201-C224 PolarHBondContact O-N 3.01Å; L202-C224 WeakPolarHBondContact CA-O 3.24Å; L202-C224 HydrophobicContact CD1-CB 4.02Å; L202-C224 WeakPolarHBondContact CD1-O 3.37Å; L203-C224 PolarHBondContact N-O 3.05Å; C224-F247 HydrophobicContact CB-CB 4.23Å; C224-F247 HydrophobicContact CB-CD2 4.1Å; C224-L254 HydrophobicContact CB-CD1 3.73Å
225	L	98.7	Very high	98.3	Very high	77 Å²	77	32.1 Å²	32.1	40%	0.403	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	124.1	177.6	-53.7	-175.1	0	0	0	110.1	L203 S223 F227	L203-L225 HydrophobicContact CB-CD2 3.89Å; L203-L225 HydrophobicContact CD2-CD2 3.93Å; L203-L225 HydrophobicContact CG-CD2 4.43Å; S223-L225 PolarHBondContact O-N 3.11Å; L225-F227 HydrophobicContact CB-CE2 4.1Å; L225-F227 HydrophobicContact CB-CZ 4.44Å
226	V	98.8	Very high	98.3	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.006	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	114.4	179.9	175.4	0	0	0	0	110.4	L202 L203 I204 R205 Q228 A243 R246	L202-V226 HydrophobicContact CD1-CB 4.08Å; L202-V226 HydrophobicContact CD1-CG2 3.49Å; L202-V226 VanDerWaalsContact CD1-CG2 3.49Å; L203-V226 PolarHBondContact O-N 3.21Å; I204-V226 CarbonylContact C-O 3.57Å; I204-V226 WeakPolarHBondContact CA-O 3.37Å; I204-V226 HydrophobicContact CG1-CB 4.4Å; R205-V226 PolarHBondContact N-O 2.66Å; V226-Q228 HydrophobicContact CG1-CG 3.83Å; V226-A243 HydrophobicContact CB-CB 4.3Å; V226-A243 HydrophobicContact CG1-CB 3.85Å; V226-A243 HydrophobicContact CG2-CB 4.37Å; V226-R246 HydrophobicContact CG2-CB 3.86Å; V226-R246 HydrophobicContact CG2-CG 4.46Å
227	F	98.7	Very high	98.2	Very high	62 Å²	62	33.8 Å²	33.8	27%	0.272	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	123.2	174.5	-56.6	-78	0	0	0	109.4	R205 E209 V210 L212 L225	R205-F227 HydrophobicContact CB-CD1 3.82Å; R205-F227 HydrophobicContact CB-CE1 4.13Å; R205-F227 HydrophobicContact CG-CD1 4.33Å; R205-F227 WeakPolarHBondContact O-CA 3.48Å; E209-F227 WeakPolarHBondContact O-CD1 3.5Å; V210-F227 HydrophobicContact CG1-CB 4.2Å; V210-F227 HydrophobicContact CG1-CD2 4.41Å; V210-F227 HydrophobicContact CG1-CG 4.15Å; L212-F227 HydrophobicContact CD2-CZ 4.26Å; L225-F227 HydrophobicContact CB-CE2 4.1Å; L225-F227 HydrophobicContact CB-CZ 4.44Å
228	Q	98.6	Very high	98.2	Very high	8 Å²	8	36.5 Å²	36.5	4%	0.037	19%	0.193	C	C	.	.			trans	-122.3	139	-179.1	-67.3	173.2	-56.9	0	0	110.2	R205 T206 S207 G208 V226 V230 Y235 N239 E242	R205-Q228 PolarHBondContact O-N 3.33Å; T206-Q228 CarbonylContact C-O 3.57Å; T206-Q228 VanDerWaalsContact C-O 3.24Å; T206-Q228 WeakPolarHBondContact CA-O 3.33Å; S207-Q228 PolarHBondContact N-O 2.93Å; G208-Q228 PolarHBondContact N-O 3.26Å; V226-Q228 HydrophobicContact CG1-CG 3.83Å; Q228-V230 VanDerWaalsContact C-N 3.31Å; Q228-V230 HydrophobicContact CB-CG1 4.01Å; Q228-V230 PolarHBondContact O-N 2.97Å; Q228-Y235 PolarHBondContact OE1-OH 3.25Å; Q228-N239 PolarHBondContact NE2-O 2.93Å; Q228-E242 PolarHBondContact NE2-OE2 3.45Å
229	S	98.2	Very high	98.2	Very high	105 Å²	105	34.7 Å²	34.7	73%	0.734	19%	0.188	S	C	*	.			trans	-72.8	-21.6	-177.6	53.7	0	0	0	0	113.9
230	V	98.5	Very high	98.3	Very high	26 Å²	26	34.6 Å²	34.6	16%	0.158	19%	0.188	C	C	.	.	S	Bend	trans	-56	137.7	178.4	64.7	0	0	0	0	111.4	T206 S207 Q228 E234 Y235	T206-V230 VanDerWaalsContact CB-O 3.24Å; T206-V230 WeakPolarHBondContact CB-O 3.45Å; T206-V230 HydrophobicContact CG2-CG1 4.24Å; S207-V230 PolarHBondContact N-O 3.41Å; Q228-V230 VanDerWaalsContact C-N 3.31Å; Q228-V230 HydrophobicContact CB-CG1 4.01Å; Q228-V230 PolarHBondContact O-N 2.97Å; V230-E234 HydrophobicContact CG2-CB 3.9Å; V230-Y235 HydrophobicContact CG1-CD2 3.56Å; V230-Y235 HydrophobicContact CG1-CE2 3.89Å
231	L	98.6	Very high	98.3	Very high	23 Å²	23	34.6 Å²	34.6	12%	0.12	19%	0.188	C	C	.	.			trans	-74.6	143.8	174.1	-58.2	178.2	0	0	0	109.9	R38 K42 E234 Y235	R38-L231 HydrophobicContact CB-CD1 4.15Å; R38-L231 HydrophobicContact CB-CD2 3.98Å; K42-L231 HydrophobicContact CD-CD1 4.25Å; L231-E234 HydrophobicContact CB-CG 4.45Å; L231-E234 WeakPolarHBondContact O-CA 3.44Å; L231-E234 WeakPolarHBondContact O-CB 3.33Å; L231-E234 PolarHBondContact O-N 2.79Å; L231-Y235 PolarHBondContact O-N 2.93Å
232	W	98.5	Very high	98.3	Very high	1 Å²	1	34.3 Å²	34.3	0%	0.004	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-50.5	-49.4	-174.9	174.9	-107.4	0	0	0	114.4	F31 M33 D34 G54 K57 L58 T61 T206 E234 Y235	F31-W232 HydrophobicContact CB-CZ3 4.46Å; F31-W232 HydrophobicContact CD1-CH2 4.21Å; F31-W232 AromaticContact CD1-CZ3 3.82Å; F31-W232 HydrophobicContact CD1-CZ3 3.82Å; F31-W232 HydrophobicContact CE1-CZ3 4.43Å; F31-W232 HydrophobicContact CG-CH2 4.42Å; F31-W232 HydrophobicContact CG-CZ3 4.36Å; M33-W232 HydrophobicContact CB-CB 4.45Å; M33-W232 HydrophobicContact CB-CD2 3.61Å; M33-W232 HydrophobicContact CB-CE3 4.14Å; M33-W232 HydrophobicContact CB-CG 3.72Å; M33-W232 HydrophobicContact CB-CZ2 4.29Å; M33-W232 HydrophobicContact CG-CD2 3.7Å; M33-W232 VanDerWaalsContact CG-CE2 3.46Å; M33-W232 HydrophobicContact CG-CE3 3.96Å; M33-W232 HydrophobicContact CG-CG 4.34Å; M33-W232 HydrophobicContact CG-CH2 3.82Å; M33-W232 HydrophobicContact CG-CZ2 3.52Å; M33-W232 HydrophobicContact CG-CZ3 4.03Å; M33-W232 HydrophobicContact SD-CD2 4.38Å; M33-W232 VanDerWaalsContact SD-CE2 3.53Å; M33-W232 HydrophobicContact SD-CH2 4.03Å; M33-W232 HydrophobicContact SD-CZ2 3.32Å; M33-W232 WeakPolarHBondContact SD-CZ2 3.5Å; D34-W232 WeakPolarHBondContact O-CB 3.43Å; D34-W232 PolarHBondContact O-N 3.03Å; G54-W232 VanDerWaalsContact CA-CD1 3.48Å; G54-W232 PolarHBondContact O-NE1 3.01Å; K57-W232 HydrophobicContact CB-CZ2 4.39Å; K57-W232 HydrophobicContact CG-CD2 4.41Å; K57-W232 HydrophobicContact CG-CZ2 4.11Å; K57-W232 WeakPolarHBondContact CG-O 3.34Å; L58-W232 HydrophobicContact CB-CZ2 4.06Å; T61-W232 HydrophobicContact CG2-CH2 4.27Å; T206-W232 HydrophobicContact CG2-CE3 3.85Å; W232-E234 PolarHBondContact O-N 3.04Å; W232-Y235 HydrophobicContact CE3-CG 4.35Å; W232-Y235 HydrophobicContact CZ3-CD1 4.23Å; W232-Y235 HydrophobicContact CZ3-CG 4.24Å; W232-Y235 VanDerWaalsContact O-CB 3.23Å; W232-Y235 WeakPolarHBondContact O-CB 3.32Å; W232-Y235 PolarHBondContact O-N 3.16Å
233	P	97.9	Very high	98.4	Very high	12 Å²	12	31.8 Å²	31.8	8%	0.078	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-62.3	-17.3	179.7	-25.7	38.2	0	0	0	114.7	N36 Y39 Q53 K57	N36-P233 WeakPolarHBondContact OD1-CD 3.44Å; N36-P233 VanDerWaalsContact OD1-CG 3.26Å; N36-P233 WeakPolarHBondContact OD1-CG 3.39Å; Y39-P233 HydrophobicContact CD1-CB 3.55Å; Y39-P233 HydrophobicContact CD1-CG 3.6Å; Y39-P233 HydrophobicContact CD2-CB 3.9Å; Y39-P233 HydrophobicContact CD2-CG 4.35Å; Y39-P233 HydrophobicContact CE1-CB 3.72Å; Y39-P233 HydrophobicContact CE1-CG 4.25Å; Y39-P233 HydrophobicContact CE2-CB 4.05Å; Y39-P233 HydrophobicContact CG-CB 3.63Å; Y39-P233 HydrophobicContact CG-CG 3.65Å; Q53-P233 HydrophobicContact CB-CB 4.18Å; K57-P233 WeakPolarHBondContact CE-O 3.4Å
234	E	98.1	Very high	98.5	Very high	68 Å²	68	31.3 Å²	31.3	32%	0.318	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-94.9	0.4	178.4	-56.2	-175.6	124.2	0	0	112.9	Y39 K42 V230 L231 W232 S236	Y39-E234 HydrophobicContact CD2-CG 3.53Å; Y39-E234 HydrophobicContact CE2-CG 3.59Å; K42-E234 VanDerWaalsContact NZ-CD 3.27Å; K42-E234 IonicContact NZ-OE1 3.67Å; K42-E234 PolarHBondContact NZ-OE1 3.22Å; K42-E234 IonicContact NZ-OE2 3.54Å; K42-E234 PolarHBondContact NZ-OE2 2.92Å; V230-E234 HydrophobicContact CG2-CB 3.9Å; L231-E234 HydrophobicContact CB-CG 4.45Å; L231-E234 WeakPolarHBondContact O-CA 3.44Å; L231-E234 WeakPolarHBondContact O-CB 3.33Å; L231-E234 PolarHBondContact O-N 2.79Å; W232-E234 PolarHBondContact O-N 3.04Å; E234-S236 PolarHBondContact O-N 3.09Å
235	Y	98.6	Very high	98.5	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.182	C	C	.	.			trans	-57.6	137.3	-176.2	-155	-109.1	0	0	0	112	F31 K57 W64 I204 T206 Q228 V230 L231 W232 N239 L240	F31-Y235 HydrophobicContact CE1-CE1 4.12Å; K57-Y235 VanDerWaalsContact CD-O 3.24Å; K57-Y235 WeakPolarHBondContact CD-O 3.3Å; K57-Y235 WeakPolarHBondContact CE-O 3.37Å; K57-Y235 PolarHBondContact NZ-O 3.25Å; W64-Y235 HydrophobicContact CZ3-CD1 4.38Å; I204-Y235 HydrophobicContact CG2-CE2 4.4Å; T206-Y235 HydrophobicContact CG2-CD2 3.54Å; T206-Y235 HydrophobicContact CG2-CE2 3.72Å; T206-Y235 HydrophobicContact CG2-CG 4.49Å; Q228-Y235 PolarHBondContact OE1-OH 3.25Å; V230-Y235 HydrophobicContact CG1-CD2 3.56Å; V230-Y235 HydrophobicContact CG1-CE2 3.89Å; L231-Y235 PolarHBondContact O-N 2.93Å; W232-Y235 HydrophobicContact CE3-CG 4.35Å; W232-Y235 HydrophobicContact CZ3-CD1 4.23Å; W232-Y235 HydrophobicContact CZ3-CG 4.24Å; W232-Y235 VanDerWaalsContact O-CB 3.23Å; W232-Y235 WeakPolarHBondContact O-CB 3.32Å; W232-Y235 PolarHBondContact O-N 3.16Å; Y235-N239 HydrophobicContact CD1-CB 4.49Å; Y235-N239 HydrophobicContact CD2-CB 3.85Å; Y235-N239 HydrophobicContact CE1-CB 4.1Å; Y235-N239 HydrophobicContact CE2-CB 3.41Å; Y235-N239 VanDerWaalsContact CE2-CB 3.41Å; Y235-N239 HydrophobicContact CG-CB 4.36Å; Y235-N239 PolarHBondContact OH-O 2.97Å; Y235-L240 HydrophobicContact CE1-CB 4.09Å; Y235-L240 PolarHBondContact OH-N 3.4Å
236	S	98.2	Very high	98.4	Very high	33 Å²	33	36.5 Å²	36.5	23%	0.231	18%	0.183	C	C	.	.			trans	-121.1	164.2	-177	74.2	0	0	0	0	112.1	W64 E234 W238 N239 L240	W64-S236 VanDerWaalsContact CZ3-C 3.47Å; E234-S236 PolarHBondContact O-N 3.09Å; S236-W238 PolarHBondContact O-N 3.36Å; S236-W238 PolarHBondContact OG-N 2.79Å; S236-N239 WeakPolarHBondContact CB-OD1 3.34Å; S236-N239 PolarHBondContact N-OD1 3.09Å; S236-N239 PolarHBondContact O-N 3.47Å; S236-N239 VanDerWaalsContact O-N 3.12Å; S236-N239 PolarHBondContact OG-N 2.87Å; S236-N239 PolarHBondContact OG-OD1 3.42Å; S236-L240 PolarHBondContact O-N 3.27Å
237	F	98.1	Very high	98.4	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.009	18%	0.183	C	C	.	.	H	α-helix	trans	-53.6	-38.4	170.9	176.9	-97.6	0	0	0	111.5	L9 E13 A17 W64 L68 N239 L240 C241	L9-F237 HydrophobicContact CD1-CE2 4.18Å; L9-F237 HydrophobicContact CD1-CZ 4.33Å; L9-F237 HydrophobicContact CD2-CD2 4.06Å; L9-F237 HydrophobicContact CD2-CE2 3.73Å; L9-F237 HydrophobicContact CD2-CZ 4.44Å; E13-F237 HydrophobicContact CB-CD1 3.93Å; E13-F237 HydrophobicContact CB-CE1 3.6Å; E13-F237 HydrophobicContact CB-CE2 4.43Å; E13-F237 HydrophobicContact CB-CG 4.44Å; E13-F237 HydrophobicContact CB-CZ 3.88Å; E13-F237 HydrophobicContact CG-CB 4.47Å; E13-F237 HydrophobicContact CG-CD1 3.5Å; E13-F237 VanDerWaalsContact CG-CD1 3.5Å; E13-F237 HydrophobicContact CG-CE1 3.73Å; E13-F237 HydrophobicContact CG-CG 3.93Å; E13-F237 HydrophobicContact CG-CZ 4.37Å; E13-F237 WeakPolarHBondContact OE1-CB 3.17Å; A17-F237 HydrophobicContact CB-CZ 4.38Å; W64-F237 HydrophobicContact CB-CD2 4.16Å; W64-F237 AromaticContact CD1-CD2 3.74Å; W64-F237 HydrophobicContact CD2-CB 4.16Å; W64-F237 HydrophobicContact CD2-CD2 4.32Å; W64-F237 AromaticContact CG-CD2 3.86Å; W64-F237 HydrophobicContact CG-CD2 3.86Å; W64-F237 VanDerWaalsContact CH2-N 3.34Å; W64-F237 HydrophobicContact CZ2-CB 4.09Å; L68-F237 HydrophobicContact CD1-CE2 4.06Å; L68-F237 HydrophobicContact CD2-CE2 4.2Å; L68-F237 HydrophobicContact CD2-CZ 4.29Å; L68-F237 HydrophobicContact CG-CE2 4.25Å; F237-N239 VanDerWaalsContact C-N 3.34Å; F237-N239 PolarHBondContact O-N 3.41Å; F237-L240 WeakPolarHBondContact O-CB 3.15Å; F237-L240 PolarHBondContact O-N 2.84Å; F237-L240 VanDerWaalsContact O-N 3.14Å; F237-C241 WeakPolarHBondContact CE1-SG 3.24Å; F237-C241 WeakPolarHBondContact CZ-SG 3.45Å; F237-C241 PolarHBondContact O-N 3.18Å; F237-C241 PolarHBondContact O-SG 3.08Å
238	W	98.4	Very high	98.4	Very high	123 Å²	123	35.5 Å²	35.5	47%	0.466	18%	0.178	S	C	.	.	H	α-helix	trans	-66.3	-34.4	180	-49.1	114.8	0	0	0	112.9	I12 E13 C16 S236 L240 C241 E242	I12-W238 HydrophobicContact CB-CH2 4.28Å; I12-W238 HydrophobicContact CG2-CH2 3.68Å; I12-W238 HydrophobicContact CG2-CZ2 4.37Å; E13-W238 HydrophobicContact CG-CH2 3.96Å; E13-W238 HydrophobicContact CG-CZ2 3.96Å; C16-W238 HydrophobicContact CB-CZ3 4.22Å; S236-W238 PolarHBondContact O-N 3.36Å; S236-W238 PolarHBondContact OG-N 2.79Å; W238-L240 VanDerWaalsContact C-N 3.33Å; W238-C241 PolarHBondContact O-N 2.96Å; W238-E242 PolarHBondContact O-N 3.36Å
239	N	98.7	Very high	98.4	Very high	32 Å²	32	41 Å²	41	17%	0.171	21%	0.213	C	C	.	.	H	α-helix	trans	-65.9	-39.6	173.1	-59	114.6	0	0	0	111.2	Q228 Y235 S236 F237 E242 A243	Q228-N239 PolarHBondContact NE2-O 2.93Å; Y235-N239 HydrophobicContact CD1-CB 4.49Å; Y235-N239 HydrophobicContact CD2-CB 3.85Å; Y235-N239 HydrophobicContact CE1-CB 4.1Å; Y235-N239 HydrophobicContact CE2-CB 3.41Å; Y235-N239 VanDerWaalsContact CE2-CB 3.41Å; Y235-N239 HydrophobicContact CG-CB 4.36Å; Y235-N239 PolarHBondContact OH-O 2.97Å; S236-N239 WeakPolarHBondContact CB-OD1 3.34Å; S236-N239 PolarHBondContact N-OD1 3.09Å; S236-N239 PolarHBondContact O-N 3.47Å; S236-N239 VanDerWaalsContact O-N 3.12Å; S236-N239 PolarHBondContact OG-N 2.87Å; S236-N239 PolarHBondContact OG-OD1 3.42Å; F237-N239 VanDerWaalsContact C-N 3.34Å; F237-N239 PolarHBondContact O-N 3.41Å; N239-E242 PolarHBondContact O-N 3.44Å; N239-A243 PolarHBondContact O-N 2.96Å
240	L	98.6	Very high	98.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-64.1	-44.2	174.7	-178.4	58.4	0	0	0	111.2	F31 W64 L68 I204 Y235 S236 F237 W238 E242 A243 I244	F31-L240 HydrophobicContact CE1-CD1 4.38Å; F31-L240 HydrophobicContact CZ-CD1 3.95Å; W64-L240 HydrophobicContact CB-CD2 3.82Å; L68-L240 HydrophobicContact CD1-CD2 3.76Å; L68-L240 HydrophobicContact CD1-CG 4.23Å; I204-L240 HydrophobicContact CD1-CD1 4.05Å; Y235-L240 HydrophobicContact CE1-CB 4.09Å; Y235-L240 PolarHBondContact OH-N 3.4Å; S236-L240 PolarHBondContact O-N 3.27Å; F237-L240 WeakPolarHBondContact O-CB 3.15Å; F237-L240 PolarHBondContact O-N 2.84Å; F237-L240 VanDerWaalsContact O-N 3.14Å; W238-L240 VanDerWaalsContact C-N 3.33Å; L240-E242 PolarHBondContact O-N 2.85Å; L240-A243 PolarHBondContact O-N 3.41Å; L240-I244 HydrophobicContact CD1-CD1 4.26Å; L240-I244 HydrophobicContact CD1-CG1 4.47Å; L240-I244 HydrophobicContact CG-CD1 4Å; L240-I244 WeakPolarHBondContact O-CG1 3.49Å; L240-I244 PolarHBondContact O-N 2.81Å
241	C	98.4	Very high	98.4	Very high	8 Å²	8	42.5 Å²	42.5	5%	0.054	21%	0.205	C	C	.	.	H	α-helix	trans	-59.7	-44	174.7	-72	0	0	0	0	112.4	I20 F237 W238 A243 I244 L245	I20-C241 HydrophobicContact CD1-CB 3.75Å; F237-C241 WeakPolarHBondContact CE1-SG 3.24Å; F237-C241 WeakPolarHBondContact CZ-SG 3.45Å; F237-C241 PolarHBondContact O-N 3.18Å; F237-C241 PolarHBondContact O-SG 3.08Å; W238-C241 PolarHBondContact O-N 2.96Å; C241-A243 VanDerWaalsContact C-N 3.29Å; C241-A243 PolarHBondContact O-N 2.84Å; C241-I244 PolarHBondContact O-N 2.96Å; C241-L245 WeakPolarHBondContact O-CB 3.3Å; C241-L245 WeakPolarHBondContact O-CG 3.41Å; C241-L245 PolarHBondContact O-N 2.91Å
242	E	98.4	Very high	98.3	Very high	71 Å²	71	43.4 Å²	43.4	33%	0.332	22%	0.22	S	C	.	.	H	α-helix	trans	-57.1	-44.8	174.8	-171.1	-155.4	165.5	0	0	111.1	Q228 W238 N239 L240 I244 L245 R246	Q228-E242 PolarHBondContact NE2-OE2 3.45Å; W238-E242 PolarHBondContact O-N 3.36Å; N239-E242 PolarHBondContact O-N 3.44Å; L240-E242 PolarHBondContact O-N 2.85Å; E242-I244 PolarHBondContact O-N 3.36Å; E242-L245 PolarHBondContact O-N 3.16Å; E242-R246 WeakPolarHBondContact O-CG 3.49Å; E242-R246 PolarHBondContact O-N 2.92Å; E242-R246 IonicContact OE1-CZ 3.53Å; E242-R246 IonicContact OE1-NE 3.57Å; E242-R246 PolarHBondContact OE1-NE 3.48Å; E242-R246 IonicContact OE1-NH2 2.83Å; E242-R246 PolarHBondContact OE1-NH2 2.69Å
243	A	98.7	Very high	98.3	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-64.8	-40.3	179.1	0	0	0	0	0	112.3	L202 I204 V226 N239 L240 C241 R246 F247	L202-A243 HydrophobicContact CD2-CB 3.99Å; I204-A243 HydrophobicContact CD1-CB 3.48Å; I204-A243 VanDerWaalsContact CD1-CB 3.48Å; I204-A243 HydrophobicContact CG1-CB 3.87Å; V226-A243 HydrophobicContact CB-CB 4.3Å; V226-A243 HydrophobicContact CG1-CB 3.85Å; V226-A243 HydrophobicContact CG2-CB 4.37Å; N239-A243 PolarHBondContact O-N 2.96Å; L240-A243 PolarHBondContact O-N 3.41Å; C241-A243 VanDerWaalsContact C-N 3.29Å; C241-A243 PolarHBondContact O-N 2.84Å; A243-R246 PolarHBondContact O-N 2.97Å; A243-F247 PolarHBondContact O-N 3.05Å
244	I	98.7	Very high	98.2	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-66	-40.6	175.2	-65.1	164.4	0	0	0	111	I20 M25 P26 L68 I70 L202 L240 C241 E242 R246 F247 Q248	I20-I244 HydrophobicContact CG2-CB 4.39Å; I20-I244 HydrophobicContact CG2-CG2 3.47Å; I20-I244 VanDerWaalsContact CG2-CG2 3.47Å; M25-I244 HydrophobicContact CE-CD1 4.22Å; M25-I244 HydrophobicContact CE-CG2 4.24Å; M25-I244 HydrophobicContact SD-CG2 3.94Å; P26-I244 HydrophobicContact CG-CG1 4.19Å; L68-I244 HydrophobicContact CD1-CD1 3.72Å; I70-I244 HydrophobicContact CD1-CD1 4.04Å; L202-I244 HydrophobicContact CD2-CG1 4.38Å; L240-I244 HydrophobicContact CD1-CD1 4.26Å; L240-I244 HydrophobicContact CD1-CG1 4.47Å; L240-I244 HydrophobicContact CG-CD1 4Å; L240-I244 WeakPolarHBondContact O-CG1 3.49Å; L240-I244 PolarHBondContact O-N 2.81Å; C241-I244 PolarHBondContact O-N 2.96Å; E242-I244 PolarHBondContact O-N 3.36Å; I244-R246 VanDerWaalsContact C-N 3.32Å; I244-R246 PolarHBondContact O-N 3.01Å; I244-F247 WeakPolarHBondContact O-CA 3.16Å; I244-F247 WeakPolarHBondContact O-CB 3.35Å; I244-F247 PolarHBondContact O-N 3.39Å; I244-F247 VanDerWaalsContact O-N 3.14Å; I244-Q248 HydrophobicContact CG2-CG 4.45Å; I244-Q248 WeakPolarHBondContact O-CG 3.27Å; I244-Q248 PolarHBondContact O-N 3.29Å
245	L	98.5	Very high	98.2	Very high	83 Å²	83	47.2 Å²	47.2	44%	0.435	25%	0.249	S	C	.	.	H	α-helix	trans	-61.3	-41.3	175.3	-73.8	169.9	0	0	0	111.4	I20 C241 E242 F247 Q248 V249	I20-L245 HydrophobicContact CD1-CG 4.45Å; I20-L245 HydrophobicContact CG1-CD2 4.2Å; C241-L245 WeakPolarHBondContact O-CB 3.3Å; C241-L245 WeakPolarHBondContact O-CG 3.41Å; C241-L245 PolarHBondContact O-N 2.91Å; E242-L245 PolarHBondContact O-N 3.16Å; L245-F247 VanDerWaalsContact C-N 3.32Å; L245-F247 PolarHBondContact O-N 2.9Å; L245-Q248 PolarHBondContact O-N 3.37Å; L245-V249 WeakPolarHBondContact O-CG2 3.41Å; L245-V249 PolarHBondContact O-N 3.4Å
246	R	98.3	Very high	98.1	Very high	109 Å²	109	54.5 Å²	54.5	41%	0.411	28%	0.281	S	S	.	.	H	α-helix	trans	-61.5	-40.8	173.3	-70.9	-173.2	-172.3	-148.2	7.9	112	V226 E242 A243 I244 V249 N250	V226-R246 HydrophobicContact CG2-CB 3.86Å; V226-R246 HydrophobicContact CG2-CG 4.46Å; E242-R246 WeakPolarHBondContact O-CG 3.49Å; E242-R246 PolarHBondContact O-N 2.92Å; E242-R246 IonicContact OE1-CZ 3.53Å; E242-R246 IonicContact OE1-NE 3.57Å; E242-R246 PolarHBondContact OE1-NE 3.48Å; E242-R246 IonicContact OE1-NH2 2.83Å; E242-R246 PolarHBondContact OE1-NH2 2.69Å; A243-R246 PolarHBondContact O-N 2.97Å; I244-R246 VanDerWaalsContact C-N 3.32Å; I244-R246 PolarHBondContact O-N 3.01Å; R246-V249 PolarHBondContact O-N 2.98Å; R246-N250 PolarHBondContact O-N 2.9Å; R246-N250 VanDerWaalsContact O-N 3.17Å; R246-N250 PolarHBondContact O-ND2 2.51Å
247	F	98.6	Very high	98	Very high	2 Å²	2	55 Å²	55	1%	0.009	29%	0.287	C	S	.	.	H	α-helix	trans	-59.3	-47.4	172.3	163.8	-97.1	0	0	0	111.4	P24 P26 D201 L202 C224 A243 I244 L245 V249 N250 Y251	P24-F247 HydrophobicContact CB-CE1 4.37Å; P26-F247 HydrophobicContact CB-CD1 4.31Å; P26-F247 HydrophobicContact CB-CE1 4.21Å; P26-F247 HydrophobicContact CB-CZ 4.33Å; P26-F247 HydrophobicContact CG-CD1 4.33Å; D201-F247 HydrophobicContact CB-CD2 4.26Å; D201-F247 HydrophobicContact CB-CE2 3.69Å; D201-F247 HydrophobicContact CB-CZ 4.18Å; L202-F247 HydrophobicContact CD1-CB 4.45Å; L202-F247 HydrophobicContact CD2-CB 4.4Å; C224-F247 HydrophobicContact CB-CB 4.23Å; C224-F247 HydrophobicContact CB-CD2 4.1Å; A243-F247 PolarHBondContact O-N 3.05Å; I244-F247 WeakPolarHBondContact O-CA 3.16Å; I244-F247 WeakPolarHBondContact O-CB 3.35Å; I244-F247 PolarHBondContact O-N 3.39Å; I244-F247 VanDerWaalsContact O-N 3.14Å; L245-F247 VanDerWaalsContact C-N 3.32Å; L245-F247 PolarHBondContact O-N 2.9Å; F247-V249 PolarHBondContact O-N 3.02Å; F247-N250 CarbonylContact O-C 3.54Å; F247-N250 PolarHBondContact O-N 3.39Å; F247-N250 VanDerWaalsContact O-N 3.13Å; F247-Y251 HydrophobicContact CE1-CD2 4.03Å; F247-Y251 HydrophobicContact CE2-CD2 4.06Å; F247-Y251 AromaticContact CZ-CD2 3.51Å; F247-Y251 HydrophobicContact CZ-CD2 3.51Å; F247-Y251 HydrophobicContact CZ-CE2 4.03Å; F247-Y251 WeakPolarHBondContact O-CA 3.36Å; F247-Y251 PolarHBondContact O-N 3.14Å
248	Q	98.4	Very high	97.8	Very high	39 Å²	39	57.1 Å²	57.1	18%	0.182	30%	0.295	C	S	.	.	H	α-helix	trans	-60.7	-42.2	-179.9	-73.6	-176.7	-18.8	0	0	112.9	I20 P24 I244 L245 N250 Y251	I20-Q248 PolarHBondContact O-NE2 2.83Å; P24-Q248 HydrophobicContact CG-CG 4.19Å; P24-Q248 WeakPolarHBondContact O-CG 3.3Å; P24-Q248 PolarHBondContact O-NE2 3.09Å; I244-Q248 HydrophobicContact CG2-CG 4.45Å; I244-Q248 WeakPolarHBondContact O-CG 3.27Å; I244-Q248 PolarHBondContact O-N 3.29Å; L245-Q248 PolarHBondContact O-N 3.37Å; Q248-N250 VanDerWaalsContact C-N 3.3Å; Q248-N250 PolarHBondContact O-N 3.05Å; Q248-Y251 WeakPolarHBondContact O-CB 3.49Å; Q248-Y251 PolarHBondContact O-N 2.85Å
249	V	98.3	Very high	97.7	Very high	124 Å²	124	55.3 Å²	55.3	75%	0.752	30%	0.295	S	S	*	.	H	α-helix	trans	-62	-38.8	175.9	170.8	0	0	0	0	111.6	L245 R246 F247	L245-V249 WeakPolarHBondContact O-CG2 3.41Å; L245-V249 PolarHBondContact O-N 3.4Å; R246-V249 PolarHBondContact O-N 2.98Å; F247-V249 PolarHBondContact O-N 3.02Å
250	N	98.1	Very high	97.6	Very high	74 Å²	74	57.7 Å²	57.7	40%	0.396	31%	0.314	S	S	.	.	H	α-helix	trans	-88.2	-10.1	-178.5	-72.1	-82.3	0	0	0	113.8	R246 F247 Q248 G252 A253 L254	R246-N250 PolarHBondContact O-N 2.9Å; R246-N250 VanDerWaalsContact O-N 3.17Å; R246-N250 PolarHBondContact O-ND2 2.51Å; F247-N250 CarbonylContact O-C 3.54Å; F247-N250 PolarHBondContact O-N 3.39Å; F247-N250 VanDerWaalsContact O-N 3.13Å; Q248-N250 VanDerWaalsContact C-N 3.3Å; Q248-N250 PolarHBondContact O-N 3.05Å; N250-G252 PolarHBondContact O-N 2.75Å; N250-A253 PolarHBondContact O-N 3.48Å; N250-A253 VanDerWaalsContact O-N 3.13Å; N250-L254 HydrophobicContact CB-CD1 3.83Å; N250-L254 HydrophobicContact CB-CG 4.23Å; N250-L254 WeakPolarHBondContact O-CG 3.47Å; N250-L254 PolarHBondContact O-N 2.76Å
251	Y	97.9	Very high	97.3	Very high	89 Å²	89	61.9 Å²	61.9	35%	0.349	33%	0.33	S	S	.	.	H	α-helix	trans	-53.3	-48.9	-170.1	178.3	-100.4	0	0	0	112.7	P24 F247 Q248 A253 L254 Q255	P24-Y251 HydrophobicContact CB-CD1 3.84Å; P24-Y251 HydrophobicContact CB-CD2 3.74Å; P24-Y251 HydrophobicContact CB-CE1 3.89Å; P24-Y251 HydrophobicContact CB-CE2 3.79Å; P24-Y251 HydrophobicContact CB-CG 3.76Å; P24-Y251 HydrophobicContact CG-CD1 3.63Å; P24-Y251 HydrophobicContact CG-CD2 4.04Å; P24-Y251 HydrophobicContact CG-CE1 4.16Å; P24-Y251 HydrophobicContact CG-CG 3.56Å; F247-Y251 HydrophobicContact CE1-CD2 4.03Å; F247-Y251 HydrophobicContact CE2-CD2 4.06Å; F247-Y251 AromaticContact CZ-CD2 3.51Å; F247-Y251 HydrophobicContact CZ-CD2 3.51Å; F247-Y251 HydrophobicContact CZ-CE2 4.03Å; F247-Y251 WeakPolarHBondContact O-CA 3.36Å; F247-Y251 PolarHBondContact O-N 3.14Å; Q248-Y251 WeakPolarHBondContact O-CB 3.49Å; Q248-Y251 PolarHBondContact O-N 2.85Å; Y251-A253 VanDerWaalsContact C-N 3.34Å; Y251-A253 PolarHBondContact O-N 3.2Å; Y251-L254 PolarHBondContact O-N 2.9Å; Y251-Q255 VanDerWaalsContact O-CB 3.25Å; Y251-Q255 WeakPolarHBondContact O-CB 3.31Å; Y251-Q255 PolarHBondContact O-N 2.99Å
252	G	97.6	Very high	97	Very high	42 Å²	42	65 Å²	65	43%	0.433	35%	0.345	S	S	.	.	H	α-helix	trans	-63.7	-36.2	-177.7	0	0	0	0	0	113.8	N250 K256	N250-G252 PolarHBondContact O-N 2.75Å; G252-K256 WeakPolarHBondContact O-CG 3.3Å; G252-K256 PolarHBondContact O-N 2.96Å
253	A	97.4	Very high	96.8	Very high	68 Å²	68	67 Å²	67	56%	0.562	35%	0.354	S	S	*	.	H	α-helix	trans	-75.8	-44.3	177.8	0	0	0	0	0	111.5	N250 Y251 Q255 K256 A257	N250-A253 PolarHBondContact O-N 3.48Å; N250-A253 VanDerWaalsContact O-N 3.13Å; Y251-A253 VanDerWaalsContact C-N 3.34Å; Y251-A253 PolarHBondContact O-N 3.2Å; A253-Q255 VanDerWaalsContact C-N 3.35Å; A253-Q255 PolarHBondContact O-N 3.44Å; A253-K256 PolarHBondContact O-N 3.47Å; A253-A257 PolarHBondContact O-N 2.87Å
254	L	96.9	Very high	96.4	Very high	32 Å²	32	70 Å²	70	17%	0.168	37%	0.368	C	S	.	.	H	α-helix	trans	-61.6	-42.8	177	-73.2	171.9	0	0	0	111.6	C224 N250 Y251 K256 A257 R258	C224-L254 HydrophobicContact CB-CD1 3.73Å; N250-L254 HydrophobicContact CB-CD1 3.83Å; N250-L254 HydrophobicContact CB-CG 4.23Å; N250-L254 WeakPolarHBondContact O-CG 3.47Å; N250-L254 PolarHBondContact O-N 2.76Å; Y251-L254 PolarHBondContact O-N 2.9Å; L254-K256 PolarHBondContact O-N 3.34Å; L254-A257 PolarHBondContact O-N 3.49Å; L254-R258 WeakPolarHBondContact O-CB 3.38Å; L254-R258 VanDerWaalsContact O-CG 3.29Å; L254-R258 WeakPolarHBondContact O-CG 3.38Å; L254-R258 PolarHBondContact O-N 3.4Å
255	Q	96.5	Very high	96	Very high	60 Å²	60	72 Å²	72	28%	0.28	38%	0.376	S	S	.	.	H	α-helix	trans	-61.5	-46	178.7	-172.2	59.9	35.4	0	0	111.4	Y251 A253 A257 R258 D259	Y251-Q255 VanDerWaalsContact O-CB 3.25Å; Y251-Q255 WeakPolarHBondContact O-CB 3.31Å; Y251-Q255 PolarHBondContact O-N 2.99Å; A253-Q255 VanDerWaalsContact C-N 3.35Å; A253-Q255 PolarHBondContact O-N 3.44Å; Q255-A257 VanDerWaalsContact C-N 3.33Å; Q255-A257 PolarHBondContact O-N 3.25Å; Q255-R258 PolarHBondContact O-N 2.86Å; Q255-D259 PolarHBondContact NE2-OD1 3.13Å; Q255-D259 PolarHBondContact NE2-OD2 2.96Å; Q255-D259 WeakPolarHBondContact O-CB 3.48Å; Q255-D259 PolarHBondContact O-N 2.91Å
256	K	97.1	Very high	95.5	Very high	153 Å²	153	75 Å²	75	67%	0.665	38%	0.381	S	S	*	.	H	α-helix	trans	-60.6	-41.3	176	-72.7	175.9	-176.9	-177.6	0	112.6	G252 A253 L254 S260	G252-K256 WeakPolarHBondContact O-CG 3.3Å; G252-K256 PolarHBondContact O-N 2.96Å; A253-K256 PolarHBondContact O-N 3.47Å; L254-K256 PolarHBondContact O-N 3.34Å; K256-S260 WeakPolarHBondContact O-CB 3.42Å; K256-S260 PolarHBondContact O-N 3.42Å; K256-S260 PolarHBondContact O-OG 3.31Å
257	A	95.9	Very high	95.2	Very high	43 Å²	43	76 Å²	76	36%	0.355	39%	0.385	S	S	.	.	H	α-helix	trans	-64.7	-45.8	177.3	0	0	0	0	0	111.4	A253 L254 Q255 S260 Y261	A253-A257 PolarHBondContact O-N 2.87Å; L254-A257 PolarHBondContact O-N 3.49Å; Q255-A257 VanDerWaalsContact C-N 3.33Å; Q255-A257 PolarHBondContact O-N 3.25Å; A257-S260 PolarHBondContact O-N 3.17Å; A257-Y261 VanDerWaalsContact O-CB 3.31Å; A257-Y261 WeakPolarHBondContact O-CB 3.01Å; A257-Y261 PolarHBondContact O-N 2.93Å
258	R	95	Very high	94.7	Very high	48 Å²	48	79.7 Å²	79.7	18%	0.181	40%	0.402	C	S	.	.	H	α-helix	trans	-58	-48.7	174.9	-72.1	171.8	-178.2	-167.8	-8.2	111.6	D201 H222 L254 Q255 S260 Y261 M262	D201-R258 IonicContact OD1-CZ 3.9Å; D201-R258 IonicContact OD1-NH1 3.34Å; D201-R258 PolarHBondContact OD1-NH1 2.75Å; D201-R258 IonicContact OD1-NH2 3.36Å; H222-R258 HydrophobicContact CB-CG 3.77Å; H222-R258 VanDerWaalsContact O-CZ 3.31Å; H222-R258 PolarHBondContact O-NE 3.44Å; H222-R258 PolarHBondContact O-NH2 3.34Å; L254-R258 WeakPolarHBondContact O-CB 3.38Å; L254-R258 VanDerWaalsContact O-CG 3.29Å; L254-R258 WeakPolarHBondContact O-CG 3.38Å; L254-R258 PolarHBondContact O-N 3.4Å; Q255-R258 PolarHBondContact O-N 2.86Å; R258-S260 PolarHBondContact O-N 3.2Å; R258-Y261 PolarHBondContact O-N 2.9Å; R258-M262 WeakPolarHBondContact O-CB 3.44Å; R258-M262 VanDerWaalsContact O-CG 3.3Å; R258-M262 WeakPolarHBondContact O-CG 3.46Å; R258-M262 PolarHBondContact O-N 3.41Å
259	D	95.8	Very high	94.1	Very high	85 Å²	85	80.1 Å²	80.1	46%	0.455	40%	0.404	S	S	.	.	H	α-helix	trans	-63.6	-43.3	-178.9	-66	-24.2	0	0	0	111.3	Q255 M262 E263	Q255-D259 PolarHBondContact NE2-OD1 3.13Å; Q255-D259 PolarHBondContact NE2-OD2 2.96Å; Q255-D259 WeakPolarHBondContact O-CB 3.48Å; Q255-D259 PolarHBondContact O-N 2.91Å; D259-M262 PolarHBondContact O-N 2.96Å; D259-E263 PolarHBondContact O-N 3.5Å
260	S	95.9	Very high	93.5	Very high	81 Å²	81	79.6 Å²	79.6	57%	0.566	40%	0.395	S	S	*	.	H	α-helix	trans	-63.9	-42.7	177.6	-56	0	0	0	0	111.9	K256 A257 R258 E263 E264	K256-S260 WeakPolarHBondContact O-CB 3.42Å; K256-S260 PolarHBondContact O-N 3.42Å; K256-S260 PolarHBondContact O-OG 3.31Å; A257-S260 PolarHBondContact O-N 3.17Å; R258-S260 PolarHBondContact O-N 3.2Å; S260-E263 PolarHBondContact O-N 3.45Å; S260-E264 WeakPolarHBondContact O-CB 3.38Å; S260-E264 PolarHBondContact O-N 3.14Å
261	Y	93.4	Very high	93	Very high	89 Å²	89	81 Å²	81	35%	0.349	40%	0.399	S	S	.	.	H	α-helix	trans	-62.7	-45.1	176.5	-180	-97.6	0	0	0	111.9	E185 H222 A257 R258 E263 E264 R265	E185-Y261 VanDerWaalsContact OE1-CE1 3.23Å; E185-Y261 WeakPolarHBondContact OE1-CE1 3.18Å; E185-Y261 VanDerWaalsContact OE1-CZ 3.28Å; E185-Y261 PolarHBondContact OE1-OH 3.35Å; E185-Y261 PolarHBondContact OE2-OH 3.26Å; E185-Y261 VanDerWaalsContact OE2-OH 3.11Å; H222-Y261 AromaticContact CE1-CD2 3.88Å; H222-Y261 AromaticContact CE1-CG 3.86Å; A257-Y261 VanDerWaalsContact O-CB 3.31Å; A257-Y261 WeakPolarHBondContact O-CB 3.01Å; A257-Y261 PolarHBondContact O-N 2.93Å; R258-Y261 PolarHBondContact O-N 2.9Å; Y261-E263 VanDerWaalsContact C-N 3.32Å; Y261-E263 PolarHBondContact O-N 2.88Å; Y261-E264 PolarHBondContact O-N 3.43Å; Y261-R265 WeakPolarHBondContact O-CB 3.31Å; Y261-R265 PolarHBondContact O-N 3.42Å
262	M	91.8	Very high	92.3	Very high	74 Å²	74	83.4 Å²	83.4	37%	0.365	41%	0.408	S	S	.	.	H	α-helix	trans	-63.9	-37.4	177.9	-71.7	-58.4	-66.5	0	0	112.3	R258 D259 R266	R258-M262 WeakPolarHBondContact O-CB 3.44Å; R258-M262 VanDerWaalsContact O-CG 3.3Å; R258-M262 WeakPolarHBondContact O-CG 3.46Å; R258-M262 PolarHBondContact O-N 3.41Å; D259-M262 PolarHBondContact O-N 2.96Å; M262-R266 WeakPolarHBondContact O-CG 3.24Å; M262-R266 PolarHBondContact O-N 2.94Å
263	E	93.9	Very high	91.7	Very high	112 Å²	112	82.3 Å²	82.3	52%	0.523	39%	0.392	S	S	.	.	H	α-helix	trans	-68.5	-43.8	176.5	-168.5	60.7	-165.6	0	0	112.1	D259 S260 Y261 R265 R266 R267	D259-E263 PolarHBondContact O-N 3.5Å; S260-E263 PolarHBondContact O-N 3.45Å; Y261-E263 VanDerWaalsContact C-N 3.32Å; Y261-E263 PolarHBondContact O-N 2.88Å; E263-R265 VanDerWaalsContact C-N 3.3Å; E263-R265 PolarHBondContact O-N 3.32Å; E263-R266 PolarHBondContact O-N 3.31Å; E263-R266 IonicContact OE2-CZ 2.68Å; E263-R266 IonicContact OE2-NH1 3.69Å; E263-R266 PolarHBondContact OE2-NH1 3.47Å; E263-R267 PolarHBondContact O-N 3.23Å
264	E	91.1	Very high	91.1	Very high	63 Å²	63	83.8 Å²	83.8	29%	0.294	39%	0.387	S	S	.	.	H	α-helix	trans	-57.5	-45	173.9	-179.6	59.1	-141.7	0	0	111.3	S260 Y261 R266 R267 Q268	S260-E264 WeakPolarHBondContact O-CB 3.38Å; S260-E264 PolarHBondContact O-N 3.14Å; Y261-E264 PolarHBondContact O-N 3.43Å; E264-R266 PolarHBondContact O-N 2.9Å; E264-R267 WeakPolarHBondContact O-CB 3.46Å; E264-R267 PolarHBondContact O-N 2.93Å; E264-R267 IonicContact OE1-CZ 2.73Å; E264-R267 IonicContact OE1-NE 3.75Å; E264-R267 IonicContact OE1-NH2 3.34Å; E264-R267 PolarHBondContact OE1-NH2 3.29Å; E264-R267 IonicContact OE2-CZ 2.88Å; E264-R267 IonicContact OE2-NE 2.81Å; E264-R267 IonicContact OE2-NH1 3.5Å; E264-R267 PolarHBondContact OE2-NH1 3.01Å; E264-R267 IonicContact OE2-NH2 3.28Å; E264-R267 PolarHBondContact OE2-NH2 3.28Å; E264-Q268 WeakPolarHBondContact O-CG 3.27Å; E264-Q268 PolarHBondContact O-N 3.47Å; E264-Q268 PolarHBondContact OE1-NE2 3.04Å
265	R	89.1	Confident	90.5	Very high	42 Å²	42	85.2 Å²	85.2	16%	0.158	40%	0.403	C	S	.	.	H	α-helix	trans	-61.9	-42.6	177.7	-175.2	178.5	174.8	-174.6	5.5	112.5	E185 S186 D189 Y261 E263 R267 Q269	E185-R265 VanDerWaalsContact CD-CZ 3.45Å; E185-R265 PolarHBondContact O-NH2 2.93Å; E185-R265 IonicContact OE1-CZ 3.75Å; E185-R265 IonicContact OE1-NE 3.21Å; E185-R265 IonicContact OE1-NH1 2.71Å; E185-R265 PolarHBondContact OE1-NH1 3.45Å; E185-R265 IonicContact OE1-NH2 2.78Å; E185-R265 WeakPolarHBondContact OE2-CD 3.49Å; E185-R265 IonicContact OE2-CZ 3.36Å; E185-R265 IonicContact OE2-NE 3.46Å; E185-R265 PolarHBondContact OE2-NE 2.76Å; S186-R265 VanDerWaalsContact CB-NH2 3.28Å; D189-R265 IonicContact OD2-CZ 2.66Å; D189-R265 IonicContact OD2-NH1 3.33Å; D189-R265 PolarHBondContact OD2-NH1 2.82Å; D189-R265 IonicContact OD2-NH2 3.97Å; D189-R265 PolarHBondContact OD2-NH2 3.4Å; Y261-R265 WeakPolarHBondContact O-CB 3.31Å; Y261-R265 PolarHBondContact O-N 3.42Å; E263-R265 VanDerWaalsContact C-N 3.3Å; E263-R265 PolarHBondContact O-N 3.32Å; R265-R267 VanDerWaalsContact C-N 3.35Å; R265-Q269 WeakPolarHBondContact O-CB 3.46Å; R265-Q269 PolarHBondContact O-N 3.13Å
266	R	89.5	Confident	89.8	Confident	146 Å²	146	87 Å²	87	55%	0.551	41%	0.408	S	S	*	.	H	α-helix	trans	-62.7	-42.2	174.1	-72.4	178.4	-160.8	127.2	2.9	111.5	M262 E263 E264 Q269 M270	M262-R266 WeakPolarHBondContact O-CG 3.24Å; M262-R266 PolarHBondContact O-N 2.94Å; E263-R266 PolarHBondContact O-N 3.31Å; E263-R266 IonicContact OE2-CZ 2.68Å; E263-R266 IonicContact OE2-NH1 3.69Å; E263-R266 PolarHBondContact OE2-NH1 3.47Å; E264-R266 PolarHBondContact O-N 2.9Å; R266-Q269 PolarHBondContact O-N 3.29Å; R266-M270 PolarHBondContact O-N 3.5Å
267	R	90.5	Very high	89.1	Confident	131 Å²	131	80 Å²	80	49%	0.494	38%	0.378	S	S	.	.	H	α-helix	trans	-60.7	-50.6	177.5	-169.9	-176.4	74.1	-159.7	-1.2	111.3	E263 E264 R265 Q269 M270 E271	E263-R267 PolarHBondContact O-N 3.23Å; E264-R267 WeakPolarHBondContact O-CB 3.46Å; E264-R267 PolarHBondContact O-N 2.93Å; E264-R267 IonicContact OE1-CZ 2.73Å; E264-R267 IonicContact OE1-NE 3.75Å; E264-R267 IonicContact OE1-NH2 3.34Å; E264-R267 PolarHBondContact OE1-NH2 3.29Å; E264-R267 IonicContact OE2-CZ 2.88Å; E264-R267 IonicContact OE2-NE 2.81Å; E264-R267 IonicContact OE2-NH1 3.5Å; E264-R267 PolarHBondContact OE2-NH1 3.01Å; E264-R267 IonicContact OE2-NH2 3.28Å; E264-R267 PolarHBondContact OE2-NH2 3.28Å; R265-R267 VanDerWaalsContact C-N 3.35Å; R267-Q269 VanDerWaalsContact C-N 3.28Å; R267-Q269 PolarHBondContact O-N 2.92Å; R267-M270 WeakPolarHBondContact O-CB 3.4Å; R267-M270 PolarHBondContact O-N 3.23Å; R267-M270 VanDerWaalsContact O-N 3.12Å; R267-E271 IonicContact NE-OE1 3.69Å; R267-E271 WeakPolarHBondContact O-CG 3.45Å; R267-E271 PolarHBondContact O-N 2.93Å
268	Q	88	Confident	88.5	Confident	78 Å²	78	80.5 Å²	80.5	36%	0.364	38%	0.377	S	S	.	.	H	α-helix	trans	-60.7	-37.8	178.4	-70.2	179.4	16	0	0	112.3	E264 E271 R272	E264-Q268 WeakPolarHBondContact O-CG 3.27Å; E264-Q268 PolarHBondContact O-N 3.47Å; E264-Q268 PolarHBondContact OE1-NE2 3.04Å; Q268-E271 PolarHBondContact O-N 3.42Å; Q268-R272 VanDerWaalsContact O-CG 3.3Å; Q268-R272 WeakPolarHBondContact O-CG 3.4Å; Q268-R272 PolarHBondContact O-N 2.99Å
269	Q	85.8	Confident	88	Confident	49 Å²	49	84.4 Å²	84.4	23%	0.229	40%	0.395	C	S	.	.	H	α-helix	trans	-64.9	-43.3	175.2	-171.8	59	65.5	0	0	111.7	R265 R266 R267 E271 R272 D273	R265-Q269 WeakPolarHBondContact O-CB 3.46Å; R265-Q269 PolarHBondContact O-N 3.13Å; R266-Q269 PolarHBondContact O-N 3.29Å; R267-Q269 VanDerWaalsContact C-N 3.28Å; R267-Q269 PolarHBondContact O-N 2.92Å; Q269-E271 PolarHBondContact O-N 3.23Å; Q269-R272 PolarHBondContact O-N 2.97Å; Q269-D273 PolarHBondContact NE2-OD1 3.02Å; Q269-D273 PolarHBondContact O-N 3.16Å; Q269-D273 VanDerWaalsContact O-OD1 3.13Å
270	M	86.1	Confident	87.1	Confident	113 Å²	113	83.4 Å²	83.4	56%	0.557	39%	0.387	S	S	*	.	H	α-helix	trans	-62.7	-42.3	177	-171.6	-178.2	-62.8	0	0	111.9	R266 R267 D273 Q274	R266-M270 PolarHBondContact O-N 3.5Å; R267-M270 WeakPolarHBondContact O-CB 3.4Å; R267-M270 PolarHBondContact O-N 3.23Å; R267-M270 VanDerWaalsContact O-N 3.12Å; M270-D273 PolarHBondContact O-N 2.89Å; M270-Q274 WeakPolarHBondContact O-CG 3.43Å; M270-Q274 PolarHBondContact O-N 3.16Å
271	E	87.6	Confident	86.3	Confident	102 Å²	102	80.3 Å²	80.3	48%	0.477	36%	0.364	S	S	.	.	H	α-helix	trans	-61.6	-42.9	176.4	-72.7	171.2	-174	0	0	111.8	R267 Q268 Q269 D273 Q274 A275	R267-E271 IonicContact NE-OE1 3.69Å; R267-E271 WeakPolarHBondContact O-CG 3.45Å; R267-E271 PolarHBondContact O-N 2.93Å; Q268-E271 PolarHBondContact O-N 3.42Å; Q269-E271 PolarHBondContact O-N 3.23Å; E271-D273 PolarHBondContact O-N 3.47Å; E271-Q274 PolarHBondContact O-N 3.39Å; E271-A275 WeakPolarHBondContact O-CB 3.25Å; E271-A275 PolarHBondContact O-N 3.1Å
272	R	83.8	Confident	85.7	Confident	141 Å²	141	82 Å²	82	53%	0.532	38%	0.375	S	S	.	.	H	α-helix	trans	-61.2	-43.4	174.7	-73.1	174.9	-172.4	-177.9	5.7	112	Q268 Q269 A275 Y276	Q268-R272 VanDerWaalsContact O-CG 3.3Å; Q268-R272 WeakPolarHBondContact O-CG 3.4Å; Q268-R272 PolarHBondContact O-N 2.99Å; Q269-R272 PolarHBondContact O-N 2.97Å; R272-A275 PolarHBondContact O-N 3.48Å; R272-Y276 WeakPolarHBondContact O-CB 3.33Å; R272-Y276 PolarHBondContact O-N 2.79Å
273	D	83.9	Confident	85.1	Confident	19 Å²	19	85.3 Å²	85.3	10%	0.102	39%	0.389	C	S	.	.	H	α-helix	trans	-65.4	-41.3	179.9	-65.3	0.2	0	0	0	111	Q269 M270 E271 Y276 V277 L299 R306	Q269-D273 PolarHBondContact NE2-OD1 3.02Å; Q269-D273 PolarHBondContact O-N 3.16Å; Q269-D273 VanDerWaalsContact O-OD1 3.13Å; M270-D273 PolarHBondContact O-N 2.89Å; E271-D273 PolarHBondContact O-N 3.47Å; D273-Y276 PolarHBondContact O-N 3.32Å; D273-V277 WeakPolarHBondContact O-CG2 3.32Å; D273-V277 PolarHBondContact O-N 2.88Å; D273-L299 HydrophobicContact CB-CD1 3.57Å; D273-R306 IonicContact OD1-CZ 3.46Å; D273-R306 IonicContact OD1-NH1 3.04Å; D273-R306 PolarHBondContact OD1-NH1 2.93Å; D273-R306 IonicContact OD1-NH2 3.63Å; D273-R306 PolarHBondContact OD1-NH2 3.28Å; D273-R306 IonicContact OD2-CZ 3.76Å; D273-R306 IonicContact OD2-NH1 3.34Å; D273-R306 IonicContact OD2-NH2 2.65Å; D273-R306 PolarHBondContact OD2-NH2 3.42Å
274	Q	85.2	Confident	84.3	Confident	99 Å²	99	84.2 Å²	84.2	46%	0.463	38%	0.384	S	S	.	.	H	α-helix	trans	-64	-42.5	174.6	-72.2	179.3	8.4	0	0	112.4	M270 E271 Y276 V277 T278 L299	M270-Q274 WeakPolarHBondContact O-CG 3.43Å; M270-Q274 PolarHBondContact O-N 3.16Å; E271-Q274 PolarHBondContact O-N 3.39Å; Q274-Y276 VanDerWaalsContact C-N 3.35Å; Q274-V277 PolarHBondContact O-N 2.79Å; Q274-T278 WeakPolarHBondContact O-CB 3.46Å; Q274-T278 PolarHBondContact O-N 3.03Å; Q274-T278 PolarHBondContact O-OG1 2.84Å; Q274-L299 HydrophobicContact CG-CD1 4.43Å
275	A	84.7	Confident	83.3	Confident	61 Å²	61	84.3 Å²	84.3	50%	0.504	40%	0.402	S	S	.	.	H	α-helix	trans	-62.3	-42.6	176.1	0	0	0	0	0	111.7	E271 R272 T278 K279	E271-A275 WeakPolarHBondContact O-CB 3.25Å; E271-A275 PolarHBondContact O-N 3.1Å; R272-A275 PolarHBondContact O-N 3.48Å; A275-T278 PolarHBondContact O-N 3.33Å; A275-K279 PolarHBondContact O-N 3.03Å
276	Y	81.7	Confident	82.2	Confident	99 Å²	99	86.9 Å²	86.9	39%	0.388	42%	0.415	S	S	.	.	H	α-helix	trans	-60.5	-49.4	175.8	177.2	-103.1	0	0	0	112.1	R272 D273 Q274 T278 K279 K280 C302	R272-Y276 WeakPolarHBondContact O-CB 3.33Å; R272-Y276 PolarHBondContact O-N 2.79Å; D273-Y276 PolarHBondContact O-N 3.32Å; Q274-Y276 VanDerWaalsContact C-N 3.35Å; Y276-T278 VanDerWaalsContact C-N 3.28Å; Y276-T278 PolarHBondContact O-N 3.1Å; Y276-K279 PolarHBondContact O-N 3.46Å; Y276-K280 PolarHBondContact O-N 2.76Å; Y276-C302 HydrophobicContact CD1-CB 4.26Å; Y276-C302 HydrophobicContact CE1-CB 4.15Å
277	V	83	Confident	80.6	Confident	6 Å²	6	84.2 Å²	84.2	4%	0.036	42%	0.424	C	S	.	.	H	α-helix	trans	-61.4	-39.2	177.8	172	0	0	0	0	111.4	D273 Q274 K280 L281 L298 L299 C302	D273-V277 WeakPolarHBondContact O-CG2 3.32Å; D273-V277 PolarHBondContact O-N 2.88Å; Q274-V277 PolarHBondContact O-N 2.79Å; V277-K280 PolarHBondContact O-N 3.44Å; V277-L281 HydrophobicContact CG1-CD1 4.02Å; V277-L281 HydrophobicContact CG1-CG 4.47Å; V277-L281 WeakPolarHBondContact O-CB 3.45Å; V277-L281 WeakPolarHBondContact O-CG 3.23Å; V277-L281 PolarHBondContact O-N 2.83Å; V277-L298 HydrophobicContact CG1-CB 3.87Å; V277-L298 HydrophobicContact CG1-CD1 4.46Å; V277-L299 HydrophobicContact CG2-CB 4.16Å; V277-L299 HydrophobicContact CG2-CD1 3.79Å; V277-C302 HydrophobicContact CG2-CB 4.49Å
278	T	83.6	Confident	78.9	Confident	53 Å²	53	80.9 Å²	80.9	33%	0.325	42%	0.421	S	S	.	.	H	α-helix	trans	-63.5	-44.9	178.8	-59.6	0	0	0	0	111.1	Q274 A275 Y276 K280 L281 Q282	Q274-T278 WeakPolarHBondContact O-CB 3.46Å; Q274-T278 PolarHBondContact O-N 3.03Å; Q274-T278 PolarHBondContact O-OG1 2.84Å; A275-T278 PolarHBondContact O-N 3.33Å; Y276-T278 VanDerWaalsContact C-N 3.28Å; Y276-T278 PolarHBondContact O-N 3.1Å; T278-K280 VanDerWaalsContact C-N 3.34Å; T278-K280 PolarHBondContact O-N 2.9Å; T278-L281 PolarHBondContact O-N 3.08Å; T278-Q282 WeakPolarHBondContact O-CG 3.48Å; T278-Q282 PolarHBondContact O-N 3.23Å
279	K	83.1	Confident	77.2	Confident	129 Å²	129	85.5 Å²	85.5	56%	0.561	44%	0.442	S	S	*	.	H	α-helix	trans	-62.2	-41.4	176.3	-171.7	178.6	-180	-179	0	111.8	A275 Y276 Q282 Q283	A275-K279 PolarHBondContact O-N 3.03Å; Y276-K279 PolarHBondContact O-N 3.46Å; K279-Q282 PolarHBondContact O-N 2.97Å; K279-Q283 WeakPolarHBondContact O-CG 3.46Å; K279-Q283 PolarHBondContact O-N 3.48Å
280	K	78.5	Confident	75.8	Confident	65 Å²	65	86.8 Å²	86.8	28%	0.283	47%	0.469	S	S	.	.	H	α-helix	trans	-64.8	-43.6	178	-169.3	173.1	-177.4	170.1	0	112.3	Y276 V277 T278 Q282 Q283 E284	Y276-K280 PolarHBondContact O-N 2.76Å; V277-K280 PolarHBondContact O-N 3.44Å; T278-K280 VanDerWaalsContact C-N 3.34Å; T278-K280 PolarHBondContact O-N 2.9Å; K280-Q282 VanDerWaalsContact C-N 3.32Å; K280-Q282 PolarHBondContact O-N 2.89Å; K280-Q283 PolarHBondContact O-N 2.88Å; K280-E284 WeakPolarHBondContact O-CG 3.47Å; K280-E284 PolarHBondContact O-N 3.31Å
281	L	78.3	Confident	75	Confident	15 Å²	15	85.4 Å²	85.4	8%	0.079	46%	0.464	C	S	.	.	H	α-helix	trans	-62.3	-37.6	175.6	-78.9	171.4	0	0	0	112.9	V277 T278 E284 G285 F286 R295 L298	V277-L281 HydrophobicContact CG1-CD1 4.02Å; V277-L281 HydrophobicContact CG1-CG 4.47Å; V277-L281 WeakPolarHBondContact O-CB 3.45Å; V277-L281 WeakPolarHBondContact O-CG 3.23Å; V277-L281 PolarHBondContact O-N 2.83Å; T278-L281 PolarHBondContact O-N 3.08Å; L281-E284 PolarHBondContact O-N 3.38Å; L281-G285 PolarHBondContact O-N 3.27Å; L281-F286 HydrophobicContact CD2-CD2 4.41Å; L281-F286 PolarHBondContact O-N 3.06Å; L281-F286 VanDerWaalsContact O-N 3.13Å; L281-R295 HydrophobicContact CD1-CG 3.57Å; L281-L298 HydrophobicContact CD1-CD1 4.17Å; L281-L298 HydrophobicContact CD2-CD1 3.36Å; L281-L298 HydrophobicContact CG-CD1 3.74Å
282	Q	79.6	Confident	74.5	Confident	126 Å²	126	85.4 Å²	85.4	59%	0.589	48%	0.475	S	S	*	.	H	α-helix	trans	-65.4	-42	174.5	-73.9	173.5	-13.6	0	0	111.8	T278 K279 K280 E284 G285	T278-Q282 WeakPolarHBondContact O-CG 3.48Å; T278-Q282 PolarHBondContact O-N 3.23Å; K279-Q282 PolarHBondContact O-N 2.97Å; K280-Q282 VanDerWaalsContact C-N 3.32Å; K280-Q282 PolarHBondContact O-N 2.89Å; Q282-E284 VanDerWaalsContact C-N 3.28Å; Q282-E284 PolarHBondContact O-N 3.14Å; Q282-G285 PolarHBondContact O-N 3.43Å; Q282-G285 VanDerWaalsContact O-N 3.11Å
283	Q	80.1	Confident	74.3	Confident	143 Å²	143	88.2 Å²	88.2	67%	0.668	49%	0.486	S	S	*	.	H	α-helix	trans	-63.8	-33.3	176.3	-73.2	174.3	-19.8	0	0	112.6	K279 K280 G285	K279-Q283 WeakPolarHBondContact O-CG 3.46Å; K279-Q283 PolarHBondContact O-N 3.48Å; K280-Q283 PolarHBondContact O-N 2.88Å; Q283-G285 PolarHBondContact O-N 2.7Å
284	E	78.1	Confident	74	Confident	88 Å²	88	91.7 Å²	91.7	41%	0.411	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	4.4	175.8	-66.8	175.7	-169.6	0	0	113.4	K280 L281 Q282 F286	K280-E284 WeakPolarHBondContact O-CG 3.47Å; K280-E284 PolarHBondContact O-N 3.31Å; L281-E284 PolarHBondContact O-N 3.38Å; Q282-E284 VanDerWaalsContact C-N 3.28Å; Q282-E284 PolarHBondContact O-N 3.14Å; E284-F286 HydrophobicContact CB-CD2 3.63Å; E284-F286 HydrophobicContact CB-CE2 3.7Å; E284-F286 WeakPolarHBondContact O-CD2 3.47Å; E284-F286 WeakPolarHBondContact O-CE2 3.34Å
285	G	69.6	Low	73.7	Confident	66 Å²	66	91.6 Å²	91.6	68%	0.68	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.1	15.2	173.2	0	0	0	0	0	115.6	L281 Q282 Q283	L281-G285 PolarHBondContact O-N 3.27Å; Q282-G285 PolarHBondContact O-N 3.43Å; Q282-G285 VanDerWaalsContact O-N 3.11Å; Q283-G285 PolarHBondContact O-N 2.7Å
286	F	64.6	Low	73.7	Confident	95 Å²	95	97 Å²	97	42%	0.417	50%	0.5	S	S	.	.			trans	-92.7	134.7	-178.2	-64.3	-74.3	0	0	0	112.4	L281 E284	L281-F286 HydrophobicContact CD2-CD2 4.41Å; L281-F286 PolarHBondContact O-N 3.06Å; L281-F286 VanDerWaalsContact O-N 3.13Å; E284-F286 HydrophobicContact CB-CD2 3.63Å; E284-F286 HydrophobicContact CB-CE2 3.7Å; E284-F286 WeakPolarHBondContact O-CD2 3.47Å; E284-F286 WeakPolarHBondContact O-CE2 3.34Å
287	A	57	Low	73.9	Confident	90 Å²	90	96.1 Å²	96.1	74%	0.744	51%	0.505	S	S	*	.			trans	-66.5	147	178.4	0	0	0	0	0	112.6	H289	A287-H289 PolarHBondContact O-N 3.12Å
288	S	55.7	Low	73.9	Confident	62 Å²	62	97.1 Å²	97.1	43%	0.434	51%	0.51	S	S	.	.	S	Bend	trans	-68.2	-3.1	-175.4	65.7	0	0	0	0	115.3	R295	S288-R295 VanDerWaalsContact C-NH2 3.32Å; S288-R295 PolarHBondContact O-NH2 3.49Å
289	H	51.3	Low	74	Confident	174 Å²	174	96.6 Å²	96.6	81%	0.806	51%	0.505	S	S	*	.	S	Bend	trans	-130.2	102.5	-176	-75	-68.2	0	0	0	109.9	A287	A287-H289 PolarHBondContact O-N 3.12Å
290	G	56.5	Low	74.1	Confident	77 Å²	77	96 Å²	96	79%	0.794	50%	0.504	S	S	*	.	S	Bend	trans	170	-45.3	168.5	0	0	0	0	0	117.1
291	D	70	Confident	74.6	Confident	83 Å²	83	99.2 Å²	99.2	44%	0.444	52%	0.518	S	S	.	.			trans	-122	74.6	-163.1	-155.6	-15.7	0	0	0	113.4	R293 R294 R295	D291-R293 PolarHBondContact O-N 3.26Å; D291-R294 HydrophobicContact CB-CB 3.88Å; D291-R294 PolarHBondContact O-N 3.38Å; D291-R294 WeakPolarHBondContact OD1-CB 3.46Å; D291-R294 PolarHBondContact OD1-N 3.44Å; D291-R294 VanDerWaalsContact OD1-N 3.09Å; D291-R294 VanDerWaalsContact OD2-CB 3.22Å; D291-R294 WeakPolarHBondContact OD2-CB 3.2Å; D291-R294 WeakPolarHBondContact OD2-CD 3.49Å; D291-R295 PolarHBondContact O-N 3.15Å
292	S	75.6	Confident	74.8	Confident	102 Å²	102	99.3 Å²	99.3	71%	0.713	52%	0.52	S	S	*	.	H	α-helix	trans	-58.3	-33.9	177.7	58.8	0	0	0	0	112.4	R296	S292-R296 PolarHBondContact O-N 3.02Å; S292-R296 VanDerWaalsContact O-N 3.16Å
293	R	80.6	Confident	75.2	Confident	201 Å²	201	94.9 Å²	94.9	76%	0.758	50%	0.502	S	S	*	.	H	α-helix	trans	-67.7	-47.9	177.4	-166.4	177.2	-175.6	-174.8	0.9	110.8	D291 R295 R296 T297	D291-R293 PolarHBondContact O-N 3.26Å; R293-R295 PolarHBondContact O-N 3.03Å; R293-R296 WeakPolarHBondContact O-CB 3.32Å; R293-R296 PolarHBondContact O-N 3.16Å; R293-T297 PolarHBondContact O-N 3.48Å; R293-T297 PolarHBondContact O-OG1 2.91Å; R293-T297 VanDerWaalsContact O-OG1 3.13Å
294	R	77.1	Confident	75.7	Confident	92 Å²	92	90.5 Å²	90.5	35%	0.347	49%	0.49	S	S	.	.	H	α-helix	trans	-65.1	-38.5	178.3	-171	170.8	-179.8	-173.1	-5.4	113.1	D291 R296 T297 L298	D291-R294 HydrophobicContact CB-CB 3.88Å; D291-R294 PolarHBondContact O-N 3.38Å; D291-R294 WeakPolarHBondContact OD1-CB 3.46Å; D291-R294 PolarHBondContact OD1-N 3.44Å; D291-R294 VanDerWaalsContact OD1-N 3.09Å; D291-R294 VanDerWaalsContact OD2-CB 3.22Å; D291-R294 WeakPolarHBondContact OD2-CB 3.2Å; D291-R294 WeakPolarHBondContact OD2-CD 3.49Å; R294-R296 VanDerWaalsContact C-N 3.34Å; R294-R296 PolarHBondContact O-N 2.92Å; R294-T297 PolarHBondContact O-N 2.78Å; R294-L298 HydrophobicContact CG-CD1 4.3Å; R294-L298 WeakPolarHBondContact O-CB 3.45Å; R294-L298 WeakPolarHBondContact O-CG 3.33Å; R294-L298 PolarHBondContact O-N 3.31Å
295	R	79.4	Confident	76.2	Confident	96 Å²	96	90 Å²	90	36%	0.362	49%	0.489	S	S	.	.	H	α-helix	trans	-56.4	-47.4	171	-82.6	-178.3	176.8	168.3	3	112.1	L281 S288 D291 R293 L298 L299	L281-R295 HydrophobicContact CD1-CG 3.57Å; S288-R295 VanDerWaalsContact C-NH2 3.32Å; S288-R295 PolarHBondContact O-NH2 3.49Å; D291-R295 PolarHBondContact O-N 3.15Å; R293-R295 PolarHBondContact O-N 3.03Å; R295-L298 PolarHBondContact O-N 3.41Å; R295-L299 WeakPolarHBondContact O-CB 3.38Å; R295-L299 PolarHBondContact O-N 3.13Å
296	R	83.8	Confident	77.2	Confident	176 Å²	176	88.7 Å²	88.7	66%	0.664	46%	0.463	S	S	*	.	H	α-helix	trans	-62.1	-43.8	178.6	-171.1	176.6	-178.2	174.6	1.5	111.7	S292 R293 R294 L299 Q300	S292-R296 PolarHBondContact O-N 3.02Å; S292-R296 VanDerWaalsContact O-N 3.16Å; R293-R296 WeakPolarHBondContact O-CB 3.32Å; R293-R296 PolarHBondContact O-N 3.16Å; R294-R296 VanDerWaalsContact C-N 3.34Å; R294-R296 PolarHBondContact O-N 2.92Å; R296-L299 PolarHBondContact O-N 2.84Å; R296-Q300 WeakPolarHBondContact O-CG 3.44Å; R296-Q300 PolarHBondContact O-N 3.5Å
297	T	85.8	Confident	78.5	Confident	80 Å²	80	90 Å²	90	49%	0.491	47%	0.47	S	S	.	.	H	α-helix	trans	-63.7	-43.3	176.9	-57.2	0	0	0	0	112.2	R293 R294 Q300 K301	R293-T297 PolarHBondContact O-N 3.48Å; R293-T297 PolarHBondContact O-OG1 2.91Å; R293-T297 VanDerWaalsContact O-OG1 3.13Å; R294-T297 PolarHBondContact O-N 2.78Å; T297-Q300 PolarHBondContact O-N 3.28Å; T297-K301 WeakPolarHBondContact O-CB 3.32Å; T297-K301 PolarHBondContact O-N 2.99Å
298	L	83.3	Confident	80.3	Confident	27 Å²	27	92.7 Å²	92.7	14%	0.141	47%	0.467	C	S	.	.	H	α-helix	trans	-65.2	-41.3	176.7	-75.2	171.6	0	0	0	112	V277 L281 R294 R295 K301 C302	V277-L298 HydrophobicContact CG1-CB 3.87Å; V277-L298 HydrophobicContact CG1-CD1 4.46Å; L281-L298 HydrophobicContact CD1-CD1 4.17Å; L281-L298 HydrophobicContact CD2-CD1 3.36Å; L281-L298 HydrophobicContact CG-CD1 3.74Å; R294-L298 HydrophobicContact CG-CD1 4.3Å; R294-L298 WeakPolarHBondContact O-CB 3.45Å; R294-L298 WeakPolarHBondContact O-CG 3.33Å; R294-L298 PolarHBondContact O-N 3.31Å; R295-L298 PolarHBondContact O-N 3.41Å; L298-K301 PolarHBondContact O-N 3.34Å; L298-C302 WeakPolarHBondContact O-CB 3.26Å; L298-C302 PolarHBondContact O-N 3.26Å; L298-C302 PolarHBondContact O-SG 3.1Å
299	L	85.6	Confident	82.3	Confident	42 Å²	42	92.2 Å²	92.2	22%	0.22	46%	0.456	C	S	.	.	H	α-helix	trans	-58.7	-51.3	175.3	-170.8	71.9	0	0	0	110.9	D273 Q274 V277 R295 R296 K301 C302 T303	D273-L299 HydrophobicContact CB-CD1 3.57Å; Q274-L299 HydrophobicContact CG-CD1 4.43Å; V277-L299 HydrophobicContact CG2-CB 4.16Å; V277-L299 HydrophobicContact CG2-CD1 3.79Å; R295-L299 WeakPolarHBondContact O-CB 3.38Å; R295-L299 PolarHBondContact O-N 3.13Å; R296-L299 PolarHBondContact O-N 2.84Å; L299-K301 VanDerWaalsContact C-N 3.31Å; L299-K301 PolarHBondContact O-N 3.39Å; L299-C302 PolarHBondContact O-N 3.49Å; L299-T303 PolarHBondContact O-N 3Å; L299-T303 PolarHBondContact O-OG1 3.29Å; L299-T303 VanDerWaalsContact O-OG1 3.06Å
300	Q	86.9	Confident	84.4	Confident	115 Å²	115	85 Å²	85	54%	0.537	42%	0.423	S	S	.	.	H	α-helix	trans	-56.9	-44.4	176.6	-73.9	173.9	-30	0	0	112.2	R296 T297 A304	R296-Q300 WeakPolarHBondContact O-CG 3.44Å; R296-Q300 PolarHBondContact O-N 3.5Å; T297-Q300 PolarHBondContact O-N 3.28Å; Q300-A304 VanDerWaalsContact O-CB 3.32Å; Q300-A304 WeakPolarHBondContact O-CB 3.39Å; Q300-A304 PolarHBondContact O-N 3.35Å
301	K	87.6	Confident	86.3	Confident	133 Å²	133	86 Å²	86	58%	0.578	41%	0.407	S	S	*	.	H	α-helix	trans	-63.8	-43.1	177.6	-172	176	-179.5	177.9	0	112	T297 L298 L299 A304 M305	T297-K301 WeakPolarHBondContact O-CB 3.32Å; T297-K301 PolarHBondContact O-N 2.99Å; L298-K301 PolarHBondContact O-N 3.34Å; L299-K301 VanDerWaalsContact C-N 3.31Å; L299-K301 PolarHBondContact O-N 3.39Å; K301-A304 PolarHBondContact O-N 3.27Å; K301-M305 HydrophobicContact CG-CG 4.47Å; K301-M305 HydrophobicContact CG-SD 4.12Å; K301-M305 WeakPolarHBondContact O-CB 3.46Å; K301-M305 VanDerWaalsContact O-CG 3.25Å; K301-M305 WeakPolarHBondContact O-CG 3.5Å; K301-M305 PolarHBondContact O-N 3.21Å
302	C	83.7	Confident	87.7	Confident	18 Å²	18	83.5 Å²	83.5	12%	0.122	40%	0.401	C	S	.	.	H	α-helix	trans	-66.1	-43.9	179.4	-65.2	0	0	0	0	111.6	Y276 V277 L298 L299 M305 R306	Y276-C302 HydrophobicContact CD1-CB 4.26Å; Y276-C302 HydrophobicContact CE1-CB 4.15Å; V277-C302 HydrophobicContact CG2-CB 4.49Å; L298-C302 WeakPolarHBondContact O-CB 3.26Å; L298-C302 PolarHBondContact O-N 3.26Å; L298-C302 PolarHBondContact O-SG 3.1Å; L299-C302 PolarHBondContact O-N 3.49Å; C302-M305 PolarHBondContact O-N 3Å; C302-R306 PolarHBondContact O-N 3.36Å
303	T	87	Confident	88.7	Confident	33 Å²	33	78.6 Å²	78.6	20%	0.202	37%	0.367	C	S	.	.	H	α-helix	trans	-61.3	-46.9	175.9	-54.9	0	0	0	0	111	L299 M305 R306 E307	L299-T303 PolarHBondContact O-N 3Å; L299-T303 PolarHBondContact O-OG1 3.29Å; L299-T303 VanDerWaalsContact O-OG1 3.06Å; T303-M305 PolarHBondContact O-N 3.38Å; T303-R306 PolarHBondContact O-N 2.93Å; T303-E307 WeakPolarHBondContact O-CG 3.18Å; T303-E307 PolarHBondContact O-N 3.15Å
304	A	89.8	Confident	89.6	Confident	51 Å²	51	70.3 Å²	70.3	42%	0.421	34%	0.338	S	S	.	.	H	α-helix	trans	-62.2	-44.1	178.7	0	0	0	0	0	112.6	Q300 K301 R306 E307 E308	Q300-A304 VanDerWaalsContact O-CB 3.32Å; Q300-A304 WeakPolarHBondContact O-CB 3.39Å; Q300-A304 PolarHBondContact O-N 3.35Å; K301-A304 PolarHBondContact O-N 3.27Å; A304-R306 VanDerWaalsContact C-N 3.34Å; A304-R306 PolarHBondContact O-N 3.35Å; A304-E307 PolarHBondContact O-N 3.5Å; A304-E308 WeakPolarHBondContact O-CB 3.21Å; A304-E308 PolarHBondContact O-N 2.96Å
305	M	90	Very high	90.5	Very high	78 Å²	78	71.4 Å²	71.4	38%	0.384	35%	0.347	S	S	.	.	H	α-helix	trans	-62.8	-40.3	176.9	-73.8	179.2	68.3	0	0	112.1	K301 C302 T303 R309	K301-M305 HydrophobicContact CG-CG 4.47Å; K301-M305 HydrophobicContact CG-SD 4.12Å; K301-M305 WeakPolarHBondContact O-CB 3.46Å; K301-M305 VanDerWaalsContact O-CG 3.25Å; K301-M305 WeakPolarHBondContact O-CG 3.5Å; K301-M305 PolarHBondContact O-N 3.21Å; C302-M305 PolarHBondContact O-N 3Å; T303-M305 PolarHBondContact O-N 3.38Å; M305-R309 WeakPolarHBondContact O-CG 3.21Å; M305-R309 PolarHBondContact O-N 3.49Å
306	R	90.1	Very high	91.4	Very high	38 Å²	38	68.3 Å²	68.3	14%	0.143	34%	0.341	C	S	.	.	H	α-helix	trans	-64.4	-45.6	174.4	174.8	177.7	69.5	-148.6	-3.1	111.4	D182 D273 C302 T303 A304 E308 R309 I310	D182-R306 HydrophobicContact CB-CG 4.3Å; D182-R306 WeakPolarHBondContact OD1-CG 3.04Å; D273-R306 IonicContact OD1-CZ 3.46Å; D273-R306 IonicContact OD1-NH1 3.04Å; D273-R306 PolarHBondContact OD1-NH1 2.93Å; D273-R306 IonicContact OD1-NH2 3.63Å; D273-R306 PolarHBondContact OD1-NH2 3.28Å; D273-R306 IonicContact OD2-CZ 3.76Å; D273-R306 IonicContact OD2-NH1 3.34Å; D273-R306 IonicContact OD2-NH2 2.65Å; D273-R306 PolarHBondContact OD2-NH2 3.42Å; C302-R306 PolarHBondContact O-N 3.36Å; T303-R306 PolarHBondContact O-N 2.93Å; A304-R306 VanDerWaalsContact C-N 3.34Å; A304-R306 PolarHBondContact O-N 3.35Å; R306-E308 VanDerWaalsContact C-N 3.3Å; R306-E308 PolarHBondContact O-N 3.37Å; R306-R309 PolarHBondContact O-N 2.93Å; R306-I310 HydrophobicContact CG-CD1 3.63Å; R306-I310 HydrophobicContact CG-CG1 4.18Å; R306-I310 WeakPolarHBondContact O-CB 3.49Å; R306-I310 VanDerWaalsContact O-CG1 3.31Å; R306-I310 WeakPolarHBondContact O-CG1 3.32Å; R306-I310 PolarHBondContact O-N 2.81Å
307	E	92.4	Very high	92	Very high	121 Å²	121	60 Å²	60	57%	0.565	31%	0.31	S	S	*	.	H	α-helix	trans	-60.1	-41.6	178.5	-76.3	174.9	178.3	0	0	111.6	T303 A304 I310 Q311	T303-E307 WeakPolarHBondContact O-CG 3.18Å; T303-E307 PolarHBondContact O-N 3.15Å; A304-E307 PolarHBondContact O-N 3.5Å; E307-I310 PolarHBondContact O-N 3.43Å; E307-Q311 VanDerWaalsContact O-CB 3.29Å; E307-Q311 WeakPolarHBondContact O-CB 3.46Å; E307-Q311 PolarHBondContact O-N 2.85Å
308	E	95.4	Very high	92.5	Very high	147 Å²	147	62.2 Å²	62.2	69%	0.687	32%	0.315	S	S	*	.	H	α-helix	trans	-60.7	-49.2	175.1	-175.4	178.8	-172	0	0	111.8	A304 R306 Q311 G312	A304-E308 WeakPolarHBondContact O-CB 3.21Å; A304-E308 PolarHBondContact O-N 2.96Å; R306-E308 VanDerWaalsContact C-N 3.3Å; R306-E308 PolarHBondContact O-N 3.37Å; E308-Q311 PolarHBondContact O-N 3.42Å; E308-G312 PolarHBondContact O-N 2.97Å
309	R	95.9	Very high	93.1	Very high	53 Å²	53	67.3 Å²	67.3	20%	0.2	34%	0.338	C	S	.	.	H	α-helix	trans	-60.2	-48	175.9	-75.9	-168.9	-58.4	-113.3	9.5	112.5	E179 D182 M305 R306 Q311 G312 F313	E179-R309 IonicContact OE1-CZ 2.88Å; E179-R309 VanDerWaalsContact OE1-CZ 3.28Å; E179-R309 IonicContact OE1-NE 2.93Å; E179-R309 IonicContact OE1-NH1 3.76Å; E179-R309 PolarHBondContact OE1-NH1 2.86Å; E179-R309 IonicContact OE1-NH2 2.59Å; E179-R309 IonicContact OE2-CZ 3.96Å; E179-R309 VanDerWaalsContact OE2-CZ 3.28Å; E179-R309 IonicContact OE2-NH1 3.77Å; E179-R309 PolarHBondContact OE2-NH1 3.02Å; E179-R309 IonicContact OE2-NH2 3.05Å; E179-R309 PolarHBondContact OE2-NH2 2.76Å; D182-R309 IonicContact OD1-CZ 4Å; D182-R309 IonicContact OD1-NE 2.77Å; D182-R309 IonicContact OD1-NH2 2.68Å; D182-R309 PolarHBondContact OD1-NH2 3.4Å; D182-R309 IonicContact OD2-CZ 3.28Å; D182-R309 IonicContact OD2-NE 3.6Å; D182-R309 PolarHBondContact OD2-NE 3.04Å; D182-R309 IonicContact OD2-NH2 3.35Å; D182-R309 PolarHBondContact OD2-NH2 3.35Å; M305-R309 WeakPolarHBondContact O-CG 3.21Å; M305-R309 PolarHBondContact O-N 3.49Å; R306-R309 PolarHBondContact O-N 2.93Å; R309-Q311 VanDerWaalsContact C-N 3.29Å; R309-Q311 PolarHBondContact O-N 3.28Å; R309-G312 PolarHBondContact O-N 3.08Å; R309-F313 WeakPolarHBondContact O-CB 3.3Å; R309-F313 PolarHBondContact O-N 3.17Å
310	I	96.3	Very high	93.5	Very high	22 Å²	22	69 Å²	69	11%	0.113	34%	0.344	C	S	.	.	H	α-helix	trans	-58.2	-45	177.3	-74.1	174.9	0	0	0	110	L178 D182 L187 R306 E307 F313 L314	L178-I310 HydrophobicContact CD2-CG1 4.17Å; D182-I310 HydrophobicContact CB-CG1 4.39Å; L187-I310 HydrophobicContact CD1-CG1 4.36Å; L187-I310 HydrophobicContact CD1-CG2 3.88Å; L187-I310 HydrophobicContact CD2-CG1 4.44Å; R306-I310 HydrophobicContact CG-CD1 3.63Å; R306-I310 HydrophobicContact CG-CG1 4.18Å; R306-I310 WeakPolarHBondContact O-CB 3.49Å; R306-I310 VanDerWaalsContact O-CG1 3.31Å; R306-I310 WeakPolarHBondContact O-CG1 3.32Å; R306-I310 PolarHBondContact O-N 2.81Å; E307-I310 PolarHBondContact O-N 3.43Å; I310-F313 PolarHBondContact O-N 3.42Å; I310-L314 HydrophobicContact CG2-CD1 3.72Å; I310-L314 HydrophobicContact CG2-CG 4.23Å; I310-L314 WeakPolarHBondContact O-CB 3.17Å; I310-L314 WeakPolarHBondContact O-CG 3.12Å; I310-L314 PolarHBondContact O-N 2.93Å
311	Q	96.9	Very high	93.9	Very high	97 Å²	97	66.6 Å²	66.6	45%	0.453	33%	0.33	S	S	.	.	H	α-helix	trans	-65	-42.7	-179.7	-172.3	58.4	33.3	0	0	112	E307 E308 R309 L314 Q315	E307-Q311 VanDerWaalsContact O-CB 3.29Å; E307-Q311 WeakPolarHBondContact O-CB 3.46Å; E307-Q311 PolarHBondContact O-N 2.85Å; E308-Q311 PolarHBondContact O-N 3.42Å; R309-Q311 VanDerWaalsContact C-N 3.29Å; R309-Q311 PolarHBondContact O-N 3.28Å; Q311-L314 PolarHBondContact O-N 3.25Å; Q311-Q315 WeakPolarHBondContact O-CG 3.45Å; Q311-Q315 PolarHBondContact O-N 3.18Å
312	G	97.8	Very high	94.1	Very high	31 Å²	31	62 Å²	62	32%	0.32	32%	0.316	S	S	.	.	H	α-helix	trans	-61.7	-43.9	174.8	0	0	0	0	0	112.4	E308 R309 Q315 A316	E308-G312 PolarHBondContact O-N 2.97Å; R309-G312 PolarHBondContact O-N 3.08Å; G312-Q315 PolarHBondContact O-N 3.21Å; G312-A316 PolarHBondContact O-N 3.14Å; G312-A316 VanDerWaalsContact O-N 3.08Å
313	F	98.4	Very high	94.6	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-60.4	-46.1	174.1	164.9	-102.3	0	0	0	112.5	E168 M169 W171 L177 L178 L187 C191 R309 I310 Q315 A316 L317	E168-F313 VanDerWaalsContact O-CE2 3.3Å; E168-F313 WeakPolarHBondContact O-CE2 3.47Å; M169-F313 HydrophobicContact CG-CZ 4.49Å; W171-F313 AromaticContact CE3-CE2 3.92Å; W171-F313 HydrophobicContact CE3-CE2 3.92Å; W171-F313 HydrophobicContact CZ3-CD2 4.29Å; W171-F313 AromaticContact CZ3-CE2 3.96Å; W171-F313 HydrophobicContact CZ3-CE2 3.96Å; L177-F313 HydrophobicContact CB-CB 4.14Å; L177-F313 HydrophobicContact CB-CD2 4.41Å; L177-F313 HydrophobicContact CD1-CD2 4.48Å; L178-F313 HydrophobicContact CD1-CB 4.32Å; L178-F313 HydrophobicContact CD1-CD1 3.78Å; L178-F313 HydrophobicContact CD1-CD2 3.7Å; L178-F313 HydrophobicContact CD1-CE1 3.96Å; L178-F313 HydrophobicContact CD1-CE2 3.88Å; L178-F313 HydrophobicContact CD1-CG 3.63Å; L178-F313 HydrophobicContact CD1-CZ 4Å; L178-F313 HydrophobicContact CD2-CB 3.7Å; L178-F313 HydrophobicContact CD2-CD1 4.13Å; L178-F313 HydrophobicContact CD2-CG 3.9Å; L178-F313 HydrophobicContact CG-CB 3.8Å; L178-F313 HydrophobicContact CG-CD1 4.18Å; L178-F313 HydrophobicContact CG-CD2 3.91Å; L178-F313 HydrophobicContact CG-CG 3.67Å; L187-F313 HydrophobicContact CD1-CD1 3.9Å; L187-F313 HydrophobicContact CD1-CE1 3.92Å; L187-F313 HydrophobicContact CG-CE1 4.46Å; C191-F313 VanDerWaalsContact SG-CE1 3.59Å; R309-F313 WeakPolarHBondContact O-CB 3.3Å; R309-F313 PolarHBondContact O-N 3.17Å; I310-F313 PolarHBondContact O-N 3.42Å; F313-Q315 VanDerWaalsContact C-N 3.32Å; F313-Q315 PolarHBondContact O-N 3.41Å; F313-A316 PolarHBondContact O-N 3.42Å; F313-L317 HydrophobicContact CE1-CD2 4.14Å; F313-L317 HydrophobicContact CZ-CB 4.46Å; F313-L317 HydrophobicContact CZ-CD2 4Å; F313-L317 WeakPolarHBondContact O-CB 3.22Å; F313-L317 PolarHBondContact O-N 3.06Å
314	L	97.9	Very high	94.9	Very high	27 Å²	27	64.8 Å²	64.8	14%	0.141	33%	0.325	C	S	.	.	H	α-helix	trans	-63.9	-38.1	-179.1	-70.4	171	0	0	0	112.1	L187 K190 I310 Q311 L317 E318	L187-L314 HydrophobicContact CD1-CD2 4.2Å; K190-L314 HydrophobicContact CB-CD2 3.64Å; K190-L314 HydrophobicContact CD-CD1 3.5Å; K190-L314 VanDerWaalsContact CD-CD1 3.5Å; K190-L314 HydrophobicContact CD-CD2 4.14Å; K190-L314 HydrophobicContact CD-CG 4.47Å; I310-L314 HydrophobicContact CG2-CD1 3.72Å; I310-L314 HydrophobicContact CG2-CG 4.23Å; I310-L314 WeakPolarHBondContact O-CB 3.17Å; I310-L314 WeakPolarHBondContact O-CG 3.12Å; I310-L314 PolarHBondContact O-N 2.93Å; Q311-L314 PolarHBondContact O-N 3.25Å; L314-L317 PolarHBondContact O-N 3.5Å; L314-E318 WeakPolarHBondContact O-CB 3.27Å; L314-E318 PolarHBondContact O-N 3.43Å
315	Q	97.4	Very high	95	Very high	115 Å²	115	64 Å²	64	54%	0.537	31%	0.313	S	S	.	.	H	α-helix	trans	-63.6	-43.8	173.7	-73.2	172.6	-8.1	0	0	111.6	Q311 G312 F313 L317 E318 H319	Q311-Q315 WeakPolarHBondContact O-CG 3.45Å; Q311-Q315 PolarHBondContact O-N 3.18Å; G312-Q315 PolarHBondContact O-N 3.21Å; F313-Q315 VanDerWaalsContact C-N 3.32Å; F313-Q315 PolarHBondContact O-N 3.41Å; Q315-L317 VanDerWaalsContact C-N 3.34Å; Q315-L317 PolarHBondContact O-N 2.81Å; Q315-E318 PolarHBondContact O-N 3.12Å; Q315-H319 WeakPolarHBondContact O-CB 3.39Å; Q315-H319 PolarHBondContact O-N 3.23Å
316	A	97.7	Very high	95.1	Very high	30 Å²	30	64.3 Å²	64.3	25%	0.248	31%	0.313	C	S	.	.	H	α-helix	trans	-63.9	-40	176.2	0	0	0	0	0	112	W171 L177 G312 F313 H319 K320	W171-A316 HydrophobicContact CH2-CB 4.14Å; L177-A316 HydrophobicContact CD1-CB 3.8Å; G312-A316 PolarHBondContact O-N 3.14Å; G312-A316 VanDerWaalsContact O-N 3.08Å; F313-A316 PolarHBondContact O-N 3.42Å; A316-H319 PolarHBondContact O-N 3.19Å; A316-K320 WeakPolarHBondContact O-CB 3Å; A316-K320 PolarHBondContact O-N 2.99Å
317	L	97.3	Very high	95.3	Very high	2 Å²	2	69.9 Å²	69.9	1%	0.01	33%	0.334	C	S	.	.	H	α-helix	trans	-65.7	-42.5	176.2	179.9	60	0	0	0	111.9	E168 C191 F313 L314 Q315 K320 R321	E168-L317 HydrophobicContact CB-CD1 4.06Å; E168-L317 HydrophobicContact CB-CD2 4.42Å; E168-L317 HydrophobicContact CG-CD1 3.86Å; E168-L317 VanDerWaalsContact OE2-CD1 3.32Å; E168-L317 WeakPolarHBondContact OE2-CD1 3.34Å; C191-L317 HydrophobicContact CB-CD2 4.46Å; F313-L317 HydrophobicContact CE1-CD2 4.14Å; F313-L317 HydrophobicContact CZ-CB 4.46Å; F313-L317 HydrophobicContact CZ-CD2 4Å; F313-L317 WeakPolarHBondContact O-CB 3.22Å; F313-L317 PolarHBondContact O-N 3.06Å; L314-L317 PolarHBondContact O-N 3.5Å; Q315-L317 VanDerWaalsContact C-N 3.34Å; Q315-L317 PolarHBondContact O-N 2.81Å; L317-K320 PolarHBondContact O-N 3.31Å; L317-R321 VanDerWaalsContact O-CG 3.29Å; L317-R321 WeakPolarHBondContact O-CG 3.42Å; L317-R321 PolarHBondContact O-N 2.52Å
318	E	95.1	Very high	95.2	Very high	127 Å²	127	65.2 Å²	65.2	59%	0.593	31%	0.313	S	S	*	.	H	α-helix	trans	-62.4	-43.6	175.5	-174.6	171.4	-162	0	0	111.3	L314 Q315 R321 A322	L314-E318 WeakPolarHBondContact O-CB 3.27Å; L314-E318 PolarHBondContact O-N 3.43Å; Q315-E318 PolarHBondContact O-N 3.12Å; E318-R321 PolarHBondContact O-N 3.47Å; E318-A322 PolarHBondContact O-N 2.85Å
319	H	95.5	Very high	94.6	Very high	134 Å²	134	59.8 Å²	59.8	62%	0.62	29%	0.291	S	S	*	.	H	α-helix	trans	-60.2	-48	174.9	-175.9	64.7	0	0	0	111.9	Q315 A316 R321 A322 D323	Q315-H319 WeakPolarHBondContact O-CB 3.39Å; Q315-H319 PolarHBondContact O-N 3.23Å; A316-H319 PolarHBondContact O-N 3.19Å; H319-R321 VanDerWaalsContact C-N 3.27Å; H319-R321 PolarHBondContact O-N 3.17Å; H319-A322 PolarHBondContact O-N 3.19Å; H319-D323 VanDerWaalsContact O-CB 3.24Å; H319-D323 WeakPolarHBondContact O-CB 3.44Å; H319-D323 PolarHBondContact O-N 3Å
320	K	95.1	Very high	93.5	Very high	78 Å²	78	61.8 Å²	61.8	34%	0.339	31%	0.309	S	S	.	.	H	α-helix	trans	-56.2	-40.4	175.7	178.9	-175.9	170.9	-169.4	0	112.2	E168 W171 A316 L317 F324	E168-K320 VanDerWaalsContact CD-NZ 3.35Å; E168-K320 IonicContact OE1-NZ 2.67Å; E168-K320 PolarHBondContact OE1-NZ 3.23Å; E168-K320 IonicContact OE2-NZ 3.79Å; E168-K320 PolarHBondContact OE2-NZ 2.86Å; W171-K320 HydrophobicContact CH2-CD 4.33Å; W171-K320 HydrophobicContact CZ2-CD 4.39Å; W171-K320 HydrophobicContact CZ3-CD 4.44Å; A316-K320 WeakPolarHBondContact O-CB 3Å; A316-K320 PolarHBondContact O-N 2.99Å; L317-K320 PolarHBondContact O-N 3.31Å; K320-F324 PolarHBondContact O-N 3.11Å
321	R	94.1	Very high	91.7	Very high	64 Å²	64	66 Å²	66	24%	0.242	34%	0.335	C	S	.	.	H	α-helix	trans	-70.3	-42.3	177.8	-73	167.8	171.7	-169.1	-6.8	112.4	C191 L192 S195 L317 E318 H319 F324 F325	C191-R321 VanDerWaalsContact C-NH2 3.31Å; C191-R321 PolarHBondContact O-NH2 3.06Å; L192-R321 PolarHBondContact O-NH2 3.35Å; S195-R321 PolarHBondContact OG-NH1 3.47Å; L317-R321 VanDerWaalsContact O-CG 3.29Å; L317-R321 WeakPolarHBondContact O-CG 3.42Å; L317-R321 PolarHBondContact O-N 2.52Å; E318-R321 PolarHBondContact O-N 3.47Å; H319-R321 VanDerWaalsContact C-N 3.27Å; H319-R321 PolarHBondContact O-N 3.17Å; R321-F324 PolarHBondContact O-N 2.81Å; R321-F325 WeakPolarHBondContact O-CD2 3.22Å
322	A	91.9	Very high	89.5	Confident	35 Å²	35	64.3 Å²	64.3	29%	0.289	33%	0.334	S	S	.	.	H	α-helix	trans	-64	-45.5	177.9	0	0	0	0	0	111.2	E318 H319 F324 F325 E326	E318-A322 PolarHBondContact O-N 2.85Å; H319-A322 PolarHBondContact O-N 3.19Å; A322-F324 VanDerWaalsContact C-N 3.29Å; A322-F324 PolarHBondContact O-N 3.32Å; A322-F325 PolarHBondContact O-N 3.49Å; A322-F325 VanDerWaalsContact O-N 3.11Å; A322-E326 WeakPolarHBondContact O-CG 3.46Å; A322-E326 PolarHBondContact O-N 3.28Å
323	D	94.3	Very high	86.9	Confident	42 Å²	42	69.6 Å²	69.6	23%	0.225	38%	0.375	C	S	.	.	H	α-helix	trans	-60.4	-35.2	179.1	171.9	56.1	0	0	0	112.6	H319 F325 E326 R327	H319-D323 VanDerWaalsContact O-CB 3.24Å; H319-D323 WeakPolarHBondContact O-CB 3.44Å; H319-D323 PolarHBondContact O-N 3Å; D323-F325 PolarHBondContact O-N 3.16Å; D323-E326 PolarHBondContact O-N 3.43Å; D323-R327 WeakPolarHBondContact O-CB 3.16Å; D323-R327 VanDerWaalsContact O-CG 3.26Å; D323-R327 WeakPolarHBondContact O-CG 3.43Å; D323-R327 PolarHBondContact O-N 3.12Å; D323-R327 IonicContact OD1-CZ 3.15Å; D323-R327 IonicContact OD1-NE 2.61Å; D323-R327 PolarHBondContact OD1-NE 3.23Å; D323-R327 IonicContact OD1-NH2 3.22Å; D323-R327 IonicContact OD2-CZ 3.22Å; D323-R327 IonicContact OD2-NE 2.81Å; D323-R327 PolarHBondContact OD2-NE 3.4Å; D323-R327 IonicContact OD2-NH2 3.47Å; D323-R327 PolarHBondContact OD2-NH2 2.95Å
324	F	93.1	Very high	86.3	Confident	68 Å²	68	73.1 Å²	73.1	30%	0.298	39%	0.394	S	S	.	.	H	α-helix	trans	-54.7	-48.6	171.7	174	-97.6	0	0	0	112.7	L124 P125 K320 R321 A322 L328	L124-F324 HydrophobicContact CB-CE1 4.4Å; L124-F324 HydrophobicContact CB-CZ 4.34Å; L124-F324 HydrophobicContact CD1-CE1 4.27Å; P125-F324 HydrophobicContact CG-CE2 4.15Å; P125-F324 HydrophobicContact CG-CZ 4.23Å; K320-F324 PolarHBondContact O-N 3.11Å; R321-F324 PolarHBondContact O-N 2.81Å; A322-F324 VanDerWaalsContact C-N 3.29Å; A322-F324 PolarHBondContact O-N 3.32Å; F324-L328 HydrophobicContact CD1-CD1 4.16Å; F324-L328 HydrophobicContact CE1-CD1 3.58Å; F324-L328 HydrophobicContact CE2-CD1 4.2Å; F324-L328 HydrophobicContact CZ-CD1 3.61Å; F324-L328 WeakPolarHBondContact O-CG 3.27Å; F324-L328 PolarHBondContact O-N 3.26Å
325	F	92.4	Very high	85.7	Confident	36 Å²	36	75.5 Å²	75.5	16%	0.158	41%	0.407	C	S	.	.	H	α-helix	trans	-72.9	-37.1	179.7	-67.9	-68.4	0	0	0	112.3	L124 I135 A136 V139 L140 R321 A322 D323 L328 C329	L124-F325 HydrophobicContact CD1-CE1 3.79Å; L124-F325 HydrophobicContact CD1-CZ 3.98Å; I135-F325 HydrophobicContact CG2-CE1 4.39Å; A136-F325 HydrophobicContact CB-CB 4.31Å; A136-F325 HydrophobicContact CB-CD1 3.85Å; V139-F325 HydrophobicContact CG1-CE2 4.44Å; V139-F325 HydrophobicContact CG1-CZ 4.44Å; V139-F325 HydrophobicContact CG2-CE1 4.47Å; L140-F325 HydrophobicContact CD1-CB 4.17Å; L140-F325 HydrophobicContact CD2-CB 4.19Å; L140-F325 HydrophobicContact CG-CB 4.12Å; R321-F325 WeakPolarHBondContact O-CD2 3.22Å; A322-F325 PolarHBondContact O-N 3.49Å; A322-F325 VanDerWaalsContact O-N 3.11Å; D323-F325 PolarHBondContact O-N 3.16Å; F325-L328 PolarHBondContact O-N 3.37Å; F325-C329 PolarHBondContact O-N 2.8Å
326	E	92.6	Very high	85.1	Confident	84 Å²	84	73.3 Å²	73.3	39%	0.393	40%	0.4	S	S	.	.	H	α-helix	trans	-66	-41.1	179.8	-70.8	178.8	175.5	0	0	111.6	L140 R143 A322 D323 L328 C329 T330	L140-E326 HydrophobicContact CD1-CG 4.34Å; L140-E326 HydrophobicContact CD2-CG 4.29Å; R143-E326 IonicContact NH1-OE1 3.35Å; R143-E326 PolarHBondContact NH1-OE1 2.82Å; A322-E326 WeakPolarHBondContact O-CG 3.46Å; A322-E326 PolarHBondContact O-N 3.28Å; D323-E326 PolarHBondContact O-N 3.43Å; E326-L328 VanDerWaalsContact C-N 3.34Å; E326-L328 PolarHBondContact O-N 3.27Å; E326-C329 PolarHBondContact O-N 2.95Å; E326-T330 WeakPolarHBondContact O-CG2 3.39Å; E326-T330 PolarHBondContact O-N 3.08Å; E326-T330 PolarHBondContact O-OG1 3.5Å
327	R	93.6	Very high	84.3	Confident	155 Å²	155	75.8 Å²	75.8	59%	0.585	41%	0.409	S	S	*	.	H	α-helix	trans	-62.5	-37.8	174.5	-70	-179.6	-158.4	-166.3	8.7	113.2	D323 C329 T330 V331	D323-R327 WeakPolarHBondContact O-CB 3.16Å; D323-R327 VanDerWaalsContact O-CG 3.26Å; D323-R327 WeakPolarHBondContact O-CG 3.43Å; D323-R327 PolarHBondContact O-N 3.12Å; D323-R327 IonicContact OD1-CZ 3.15Å; D323-R327 IonicContact OD1-NE 2.61Å; D323-R327 PolarHBondContact OD1-NE 3.23Å; D323-R327 IonicContact OD1-NH2 3.22Å; D323-R327 IonicContact OD2-CZ 3.22Å; D323-R327 IonicContact OD2-NE 2.81Å; D323-R327 PolarHBondContact OD2-NE 3.4Å; D323-R327 IonicContact OD2-NH2 3.47Å; D323-R327 PolarHBondContact OD2-NH2 2.95Å; R327-C329 PolarHBondContact O-N 3.48Å; R327-T330 WeakPolarHBondContact CA-OG1 3.41Å; R327-T330 PolarHBondContact O-N 3.33Å; R327-T330 PolarHBondContact O-OG1 2.94Å; R327-T330 VanDerWaalsContact O-OG1 3.05Å; R327-V331 WeakPolarHBondContact O-CG2 3.38Å; R327-V331 PolarHBondContact O-N 2.7Å
328	L	89.9	Confident	83.5	Confident	22 Å²	22	80.4 Å²	80.4	12%	0.115	43%	0.434	C	S	.	.	H	α-helix	trans	-66.2	-27.9	177.9	-75.1	170.9	0	0	0	112.3	L129 Q132 A136 F324 F325 E326	L129-L328 HydrophobicContact CD1-CD2 3.93Å; Q132-L328 HydrophobicContact CB-CD1 4.06Å; Q132-L328 HydrophobicContact CB-CD2 4.28Å; A136-L328 HydrophobicContact CB-CB 3.87Å; A136-L328 HydrophobicContact CB-CD1 4.29Å; F324-L328 HydrophobicContact CD1-CD1 4.16Å; F324-L328 HydrophobicContact CE1-CD1 3.58Å; F324-L328 HydrophobicContact CE2-CD1 4.2Å; F324-L328 HydrophobicContact CZ-CD1 3.61Å; F324-L328 WeakPolarHBondContact O-CG 3.27Å; F324-L328 PolarHBondContact O-N 3.26Å; F325-L328 PolarHBondContact O-N 3.37Å; E326-L328 VanDerWaalsContact C-N 3.34Å; E326-L328 PolarHBondContact O-N 3.27Å
329	C	82.3	Confident	82.8	Confident	34 Å²	34	77.3 Å²	77.3	23%	0.23	42%	0.423	C	S	.	.	H	α-helix	trans	-84.1	-22.5	177	-71.3	0	0	0	0	113.8	L140 F325 E326 R327	L140-C329 HydrophobicContact CD1-CB 4.43Å; F325-C329 PolarHBondContact O-N 2.8Å; E326-C329 PolarHBondContact O-N 2.95Å; R327-C329 PolarHBondContact O-N 3.48Å
330	T	73.4	Confident	81.9	Confident	94 Å²	94	73.3 Å²	73.3	58%	0.577	41%	0.409	S	S	*	.	H	α-helix	trans	-85.6	-22.3	-178.7	52.6	0	0	0	0	113.8	E326 R327 S332	E326-T330 WeakPolarHBondContact O-CG2 3.39Å; E326-T330 PolarHBondContact O-N 3.08Å; E326-T330 PolarHBondContact O-OG1 3.5Å; R327-T330 WeakPolarHBondContact CA-OG1 3.41Å; R327-T330 PolarHBondContact O-N 3.33Å; R327-T330 PolarHBondContact O-OG1 2.94Å; R327-T330 VanDerWaalsContact O-OG1 3.05Å; T330-S332 PolarHBondContact O-N 3.35Å
331	V	59.7	Low	80.8	Confident	110 Å²	110	72.9 Å²	72.9	67%	0.667	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-21.3	177.2	174.4	0	0	0	0	112.2	R327	R327-V331 WeakPolarHBondContact O-CG2 3.38Å; R327-V331 PolarHBondContact O-N 2.7Å
332	S	49.8	Very low	79.7	Confident	62 Å²	62	73.7 Å²	73.7	43%	0.434	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	2.1	-178.7	-31.1	0	0	0	0	114.4	E133 T330	E133-S332 PolarHBondContact OE1-OG 3.37Å; E133-S332 PolarHBondContact OE2-OG 2.93Å; T330-S332 PolarHBondContact O-N 3.35Å
333	A	43.7	Very low	78.6	Confident	142 Å²	142	77.2 Å²	77.2	100%	1.174	44%	0.441	S	S	*	.			trans	-102.9	0	176.7	0	0	0	0	0	110.5

Retrieved 333 of 333 residues in 108.6 ms (Link to these results)

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