A0A061IKI1_CRIGR Loading...

Alkyl transferase

With NUS1, forms the dehydrodolichyl diphosphate synthase (DDS) complex, an essential component of the dolichol monophosphate (Dol-P) biosynthetic machinery. Both subunits contribute to enzymatic activity, i.e. condensation of multiple copies of isopentenyl pyrophosphate (IPP) to farnesyl pyrophosphate (FPP) to produce dehydrodolichyl diphosphate (Dedol-PP), a precursor of dolichol phosphate which is utilized as a sugar carrier in protein glycosylation in the endoplasmic reticulum (ER). Synthesizes long-chain polyprenols, mostly of C95 and C100 chain length. Regulates the glycosylation and stability of nascent NPC2, thereby promoting trafficking of LDL-derived cholesterol.

AlphaFold DB , UniProt , Accession A0A061IKI1, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Dhdds, Length 333 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	61.9	Low	83.3	Confident	132 Å²	132	68.6 Å²	68.6	65%	0.65	36%	0.363	S	S	*	.				0	129.3	0	-75.4	-60.5	-111.1	0	0	108.1
2	S	78.9	Confident	84.3	Confident	21 Å²	21	77.2 Å²	77.2	15%	0.147	39%	0.387	C	S	.	.			trans	-72	150.6	-169.8	-175.6	0	0	0	0	114.6	I4 E107	S2-I4 PolarHBondContact OG-N 3.21Å; S2-I4 VanDerWaalsContact OG-N 3.1Å; S2-I4 PolarHBondContact OG-O 2.8Å; S2-E107 WeakPolarHBondContact CA-OE1 3.29Å; S2-E107 WeakPolarHBondContact CA-OE2 3.31Å; S2-E107 VanDerWaalsContact CB-CD 3.48Å; S2-E107 WeakPolarHBondContact CB-OE1 3.37Å; S2-E107 VanDerWaalsContact CB-OE2 3.27Å; S2-E107 WeakPolarHBondContact CB-OE2 3.23Å; S2-E107 PolarHBondContact OG-OE1 3.02Å; S2-E107 PolarHBondContact OG-OE2 3.05Å
3	W	80.3	Confident	85.2	Confident	15 Å²	15	73.7 Å²	73.7	6%	0.057	37%	0.369	C	S	.	.	S	Bend	trans	-74.1	-29.7	168	-77.6	74.7	0	0	0	112.2	F55 K100 F101 L104 E107 I118 L150 V152	W3-F55 AromaticContact CD1-CZ 3.86Å; W3-F55 HydrophobicContact CD2-CE2 4.08Å; W3-F55 AromaticContact CD2-CZ 3.69Å; W3-F55 HydrophobicContact CD2-CZ 3.69Å; W3-F55 AromaticContact CE2-CE2 3.7Å; W3-F55 AromaticContact CE2-CZ 3.49Å; W3-F55 VanDerWaalsContact CE2-CZ 3.49Å; W3-F55 HydrophobicContact CE3-CE2 4.4Å; W3-F55 HydrophobicContact CE3-CZ 4.35Å; W3-F55 AromaticContact CG-CZ 3.93Å; W3-F55 HydrophobicContact CG-CZ 3.93Å; W3-F55 HydrophobicContact CH2-CE2 4.07Å; W3-F55 AromaticContact CZ2-CE2 3.7Å; W3-F55 HydrophobicContact CZ2-CE2 3.7Å; W3-F55 HydrophobicContact CZ2-CZ 4.01Å; W3-F55 HydrophobicContact CZ3-CE2 4.4Å; W3-F55 AromaticContact NE1-CZ 3.58Å; W3-K100 HydrophobicContact CZ2-CB 3.97Å; W3-K100 PolarHBondContact NE1-O 3.03Å; W3-F101 HydrophobicContact CH2-CE1 4.26Å; W3-F101 HydrophobicContact CZ2-CD1 4.41Å; W3-F101 HydrophobicContact CZ2-CE1 4.37Å; W3-L104 HydrophobicContact CD2-CD1 3.49Å; W3-L104 VanDerWaalsContact CD2-CD1 3.49Å; W3-L104 HydrophobicContact CD2-CG 4.26Å; W3-L104 HydrophobicContact CE3-CD1 3.89Å; W3-L104 HydrophobicContact CG-CB 4.49Å; W3-L104 HydrophobicContact CG-CD1 3.95Å; W3-L104 HydrophobicContact CG-CG 4.2Å; W3-L104 HydrophobicContact CH2-CD1 3.94Å; W3-L104 HydrophobicContact CZ2-CD1 3.55Å; W3-L104 HydrophobicContact CZ3-CD1 4.09Å; W3-E107 PolarHBondContact N-OE2 3.3Å; W3-I118 HydrophobicContact CE3-CD1 4.34Å; W3-L150 HydrophobicContact CE3-CD2 3.77Å; W3-L150 HydrophobicContact CZ3-CD2 3.58Å; W3-V152 HydrophobicContact CH2-CG2 4.34Å; W3-V152 HydrophobicContact CZ3-CG2 4.2Å
4	I	80.3	Confident	86	Confident	22 Å²	22	76.9 Å²	76.9	11%	0.113	37%	0.374	C	S	.	.			trans	-110.5	105.9	179.4	-61.8	167.3	0	0	0	108.8	S2 K110 L111 H114 V116	S2-I4 PolarHBondContact OG-N 3.21Å; S2-I4 VanDerWaalsContact OG-N 3.1Å; S2-I4 PolarHBondContact OG-O 2.8Å; I4-K110 HydrophobicContact CD1-CB 3.95Å; I4-K110 WeakPolarHBondContact CD1-O 3.4Å; I4-L111 HydrophobicContact CD1-CB 4.47Å; I4-L111 HydrophobicContact CD1-CD2 3.71Å; I4-L111 HydrophobicContact CD1-CG 4.1Å; I4-L111 HydrophobicContact CG1-CD2 4.31Å; I4-H114 HydrophobicContact CD1-CB 4.21Å; I4-V116 HydrophobicContact CD1-CG2 3.98Å; I4-V116 HydrophobicContact CG1-CG2 4.42Å
5	K	79.8	Confident	86.7	Confident	59 Å²	59	79.5 Å²	79.5	26%	0.257	38%	0.383	S	S	.	.			trans	-87.1	115	165.6	-69.3	-176.9	176.9	173.3	0	108.4	N56 A59 E60 R63	K5-N56 PolarHBondContact NZ-O 3.32Å; K5-A59 HydrophobicContact CD-CB 4.23Å; K5-A59 HydrophobicContact CG-CB 4.16Å; K5-E60 HydrophobicContact CD-CB 4.36Å; K5-R63 WeakPolarHBondContact O-CD 3.31Å; K5-R63 VanDerWaalsContact O-CG 3.27Å; K5-R63 WeakPolarHBondContact O-CG 3.35Å
6	E	79.8	Confident	87.2	Confident	109 Å²	109	76.8 Å²	76.8	51%	0.509	37%	0.374	S	S	.	.			trans	-74.2	144.7	166.8	-66	-176.6	162.6	0	0	109	K113 H114	E6-K113 IonicContact OE1-NZ 3.05Å; E6-K113 PolarHBondContact OE1-NZ 2.85Å; E6-H114 IonicContact OE1-CE1 2.67Å; E6-H114 PolarHBondContact OE1-CE1 2.86Å; E6-H114 IonicContact OE1-NE2 3.43Å
7	G	81.8	Confident	87.6	Confident	34 Å²	34	72.3 Å²	72.3	35%	0.351	35%	0.353	S	S	.	.			trans	162.7	133.2	177	0	0	0	0	0	112.7	R63 N67	G7-R63 WeakPolarHBondContact O-CD 3.2Å; G7-N67 PolarHBondContact O-ND2 2.98Å
8	E	89.2	Confident	88.1	Confident	164 Å²	164	73.8 Å²	73.8	77%	0.766	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-77.5	156.1	174.5	-63.5	-167.6	176.9	0	0	111.4
9	L	92.4	Very high	88.5	Confident	20 Å²	20	75.3 Å²	75.3	11%	0.105	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-67	140.4	168.7	-62.5	-179.3	0	0	0	109.7	E13 R14 A17 N67 F237	L9-E13 HydrophobicContact CB-CB 3.85Å; L9-E13 HydrophobicContact CD2-CB 4.26Å; L9-E13 HydrophobicContact CG-CB 4.44Å; L9-R14 HydrophobicContact CB-CB 4.17Å; L9-A17 HydrophobicContact CD1-CB 3.91Å; L9-N67 HydrophobicContact CD1-CB 3.9Å; L9-N67 HydrophobicContact CD2-CB 3.98Å; L9-N67 HydrophobicContact CG-CB 3.76Å; L9-F237 HydrophobicContact CD1-CE2 4.11Å; L9-F237 HydrophobicContact CD1-CZ 4.28Å; L9-F237 HydrophobicContact CD2-CD2 4.02Å; L9-F237 HydrophobicContact CD2-CE2 3.7Å; L9-F237 HydrophobicContact CD2-CZ 4.44Å
10	S	95.3	Very high	88.7	Confident	59 Å²	59	72.2 Å²	72.2	41%	0.413	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-62	168.9	170	66.8	0	0	0	0	111.6	W12 E13 R14	S10-W12 VanDerWaalsContact C-N 3.33Å; S10-W12 PolarHBondContact O-N 3.17Å; S10-E13 WeakPolarHBondContact CB-OE2 3.36Å; S10-E13 PolarHBondContact N-OE2 2.9Å; S10-E13 PolarHBondContact O-N 3.04Å; S10-E13 WeakPolarHBondContact OG-CG 3.46Å; S10-E13 PolarHBondContact OG-OE2 3.28Å; S10-R14 WeakPolarHBondContact O-CB 3.34Å; S10-R14 PolarHBondContact O-N 2.94Å
11	L	96.6	Very high	89	Confident	120 Å²	120	72.9 Å²	72.9	63%	0.628	36%	0.357	S	S	*	.	H	α-helix	trans	-53.1	-48.6	-176.5	-178.2	66.9	0	0	0	112.7	F15	L11-F15 WeakPolarHBondContact O-CB 3.31Å; L11-F15 PolarHBondContact O-N 3.11Å
12	W	95.9	Very high	90.6	Very high	171 Å²	171	71.1 Å²	71.1	65%	0.648	36%	0.363	S	S	*	.	H	α-helix	trans	-70.7	-41.1	-179.3	-72.8	116.4	0	0	0	112.3	S10 R14 F15 C16 W238	S10-W12 VanDerWaalsContact C-N 3.33Å; S10-W12 PolarHBondContact O-N 3.17Å; W12-R14 VanDerWaalsContact C-N 3.32Å; W12-R14 PolarHBondContact O-N 3.29Å; W12-F15 HydrophobicContact CE3-CD1 4.25Å; W12-F15 HydrophobicContact CZ3-CD1 4.27Å; W12-F15 PolarHBondContact O-N 3.29Å; W12-C16 WeakPolarHBondContact O-CB 3.49Å; W12-C16 PolarHBondContact O-N 2.96Å; W12-C16 PolarHBondContact O-SG 3.16Å; W12-C16 VanDerWaalsContact O-SG 3.38Å; W12-W238 HydrophobicContact CB-CH2 4.01Å; W12-W238 HydrophobicContact CB-CZ2 4.47Å
13	E	96.1	Very high	91.4	Very high	32 Å²	32	71.6 Å²	71.6	15%	0.15	37%	0.371	C	S	.	.	H	α-helix	trans	-61.6	-42.7	176.2	-66.4	172.1	141.7	0	0	110.9	L9 S10 A17 F237 W238	L9-E13 HydrophobicContact CB-CB 3.85Å; L9-E13 HydrophobicContact CD2-CB 4.26Å; L9-E13 HydrophobicContact CG-CB 4.44Å; S10-E13 WeakPolarHBondContact CB-OE2 3.36Å; S10-E13 PolarHBondContact N-OE2 2.9Å; S10-E13 PolarHBondContact O-N 3.04Å; S10-E13 WeakPolarHBondContact OG-CG 3.46Å; S10-E13 PolarHBondContact OG-OE2 3.28Å; E13-A17 WeakPolarHBondContact O-CB 3.36Å; E13-A17 PolarHBondContact O-N 3.18Å; E13-F237 HydrophobicContact CB-CD1 3.86Å; E13-F237 HydrophobicContact CB-CE1 3.55Å; E13-F237 HydrophobicContact CB-CE2 4.33Å; E13-F237 HydrophobicContact CB-CG 4.34Å; E13-F237 HydrophobicContact CB-CZ 3.81Å; E13-F237 HydrophobicContact CG-CB 4.4Å; E13-F237 HydrophobicContact CG-CD1 3.47Å; E13-F237 VanDerWaalsContact CG-CD1 3.47Å; E13-F237 HydrophobicContact CG-CD2 4.49Å; E13-F237 HydrophobicContact CG-CE1 3.72Å; E13-F237 HydrophobicContact CG-CG 3.87Å; E13-F237 HydrophobicContact CG-CZ 4.35Å; E13-F237 WeakPolarHBondContact O-CZ 3.3Å; E13-F237 WeakPolarHBondContact OE1-CB 3.36Å; E13-W238 HydrophobicContact CG-CH2 4.01Å; E13-W238 HydrophobicContact CG-CZ2 3.97Å
14	R	96	Very high	92.1	Very high	119 Å²	119	73.2 Å²	73.2	45%	0.449	38%	0.384	S	S	.	.	H	α-helix	trans	-66	-42	176.5	-175.6	168.8	64.4	-161.6	0.9	112.2	L9 S10 W12 A17 N18	L9-R14 HydrophobicContact CB-CB 4.17Å; S10-R14 WeakPolarHBondContact O-CB 3.34Å; S10-R14 PolarHBondContact O-N 2.94Å; W12-R14 VanDerWaalsContact C-N 3.32Å; W12-R14 PolarHBondContact O-N 3.29Å; R14-A17 PolarHBondContact O-N 2.93Å; R14-N18 VanDerWaalsContact O-CG 3.25Å; R14-N18 PolarHBondContact O-N 3.45Å; R14-N18 PolarHBondContact O-ND2 2.82Å
15	F	96.4	Very high	92.9	Very high	115 Å²	115	74.3 Å²	74.3	50%	0.504	39%	0.392	S	S	.	.	H	α-helix	trans	-60.4	-50.7	176.2	177	-102.9	0	0	0	111.2	L11 W12 A17 N18 I19	L11-F15 WeakPolarHBondContact O-CB 3.31Å; L11-F15 PolarHBondContact O-N 3.11Å; W12-F15 HydrophobicContact CE3-CD1 4.25Å; W12-F15 HydrophobicContact CZ3-CD1 4.27Å; W12-F15 PolarHBondContact O-N 3.29Å; F15-A17 PolarHBondContact O-N 3.44Å; F15-N18 PolarHBondContact O-N 3.1Å; F15-I19 HydrophobicContact CD1-CD1 4.01Å; F15-I19 HydrophobicContact CE1-CD1 3.48Å; F15-I19 VanDerWaalsContact CE1-CD1 3.48Å; F15-I19 HydrophobicContact CE2-CD1 4.31Å; F15-I19 HydrophobicContact CZ-CD1 3.66Å; F15-I19 PolarHBondContact O-N 3.09Å
16	C	94.8	Very high	93.7	Very high	36 Å²	36	71.6 Å²	71.6	24%	0.243	38%	0.38	C	S	.	.	H	α-helix	trans	-63.5	-40.4	176.8	-67.8	0	0	0	0	112.2	W12 N18 I19 I20 W238	W12-C16 WeakPolarHBondContact O-CB 3.49Å; W12-C16 PolarHBondContact O-N 2.96Å; W12-C16 PolarHBondContact O-SG 3.16Å; W12-C16 VanDerWaalsContact O-SG 3.38Å; C16-N18 VanDerWaalsContact C-N 3.31Å; C16-N18 PolarHBondContact O-N 2.68Å; C16-I19 PolarHBondContact O-N 3.36Å; C16-I20 WeakPolarHBondContact O-CG1 3.4Å; C16-I20 PolarHBondContact O-N 3.39Å; C16-W238 HydrophobicContact CB-CZ3 4.2Å
17	A	94.2	Very high	94.6	Very high	1 Å²	1	73.9 Å²	73.9	1%	0.008	39%	0.388	C	S	.	.	H	α-helix	trans	-57.9	-42.9	175.4	0	0	0	0	0	112.1	L9 E13 R14 F15 I19 I20 K21 L68 F237	L9-A17 HydrophobicContact CD1-CB 3.91Å; E13-A17 WeakPolarHBondContact O-CB 3.36Å; E13-A17 PolarHBondContact O-N 3.18Å; R14-A17 PolarHBondContact O-N 2.93Å; F15-A17 PolarHBondContact O-N 3.44Å; A17-I19 VanDerWaalsContact C-N 3.34Å; A17-I19 PolarHBondContact O-N 3.27Å; A17-I20 PolarHBondContact O-N 3.16Å; A17-K21 VanDerWaalsContact O-CB 3.3Å; A17-K21 WeakPolarHBondContact O-CB 3.11Å; A17-K21 WeakPolarHBondContact O-CG 3.47Å; A17-K21 PolarHBondContact O-N 3.13Å; A17-L68 HydrophobicContact CB-CD2 3.48Å; A17-L68 VanDerWaalsContact CB-CD2 3.48Å; A17-F237 HydrophobicContact CB-CZ 4.44Å
18	N	95.8	Very high	95.4	Very high	100 Å²	100	72.5 Å²	72.5	54%	0.535	37%	0.372	S	S	.	.	H	α-helix	trans	-65.1	-37.9	178.7	-71	-15.6	0	0	0	112.2	R14 F15 C16 A22	R14-N18 VanDerWaalsContact O-CG 3.25Å; R14-N18 PolarHBondContact O-N 3.45Å; R14-N18 PolarHBondContact O-ND2 2.82Å; F15-N18 PolarHBondContact O-N 3.1Å; C16-N18 VanDerWaalsContact C-N 3.31Å; C16-N18 PolarHBondContact O-N 2.68Å; N18-A22 PolarHBondContact O-N 3.24Å
19	I	95.5	Very high	95.9	Very high	102 Å²	102	64.7 Å²	64.7	52%	0.523	34%	0.336	S	S	.	.	H	α-helix	trans	-65.5	-48.5	174.6	-65.6	169.5	0	0	0	110.3	F15 C16 A17 K21 A22	F15-I19 HydrophobicContact CD1-CD1 4.01Å; F15-I19 HydrophobicContact CE1-CD1 3.48Å; F15-I19 VanDerWaalsContact CE1-CD1 3.48Å; F15-I19 HydrophobicContact CE2-CD1 4.31Å; F15-I19 HydrophobicContact CZ-CD1 3.66Å; F15-I19 PolarHBondContact O-N 3.09Å; C16-I19 PolarHBondContact O-N 3.36Å; A17-I19 VanDerWaalsContact C-N 3.34Å; A17-I19 PolarHBondContact O-N 3.27Å; I19-K21 VanDerWaalsContact C-N 3.29Å; I19-K21 PolarHBondContact O-N 3.22Å; I19-A22 VanDerWaalsContact O-CB 3.3Å; I19-A22 WeakPolarHBondContact O-CB 3.4Å; I19-A22 PolarHBondContact O-N 2.84Å; I19-A22 VanDerWaalsContact O-N 3.11Å
20	I	93.4	Very high	96.2	Very high	12 Å²	12	63.7 Å²	63.7	6%	0.062	33%	0.331	C	S	.	.	H	α-helix	trans	-60.3	-41	178.7	-71.1	168.1	0	0	0	110.7	C16 A17 A22 G23 C241 I244 L245 Q248	C16-I20 WeakPolarHBondContact O-CG1 3.4Å; C16-I20 PolarHBondContact O-N 3.39Å; A17-I20 PolarHBondContact O-N 3.16Å; I20-A22 PolarHBondContact O-N 2.98Å; I20-G23 PolarHBondContact O-N 2.69Å; I20-C241 HydrophobicContact CD1-CB 3.82Å; I20-I244 HydrophobicContact CG2-CB 4.38Å; I20-I244 HydrophobicContact CG2-CG2 3.44Å; I20-I244 VanDerWaalsContact CG2-CG2 3.44Å; I20-L245 HydrophobicContact CG1-CD2 4.43Å; I20-Q248 PolarHBondContact O-NE2 3.43Å
21	K	94.7	Very high	96.3	Very high	88 Å²	88	61 Å²	61	38%	0.383	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-13.8	178.4	-77.1	175.1	178.4	-177	0	114.4	A17 I19 V25 N67 L68	A17-K21 VanDerWaalsContact O-CB 3.3Å; A17-K21 WeakPolarHBondContact O-CB 3.11Å; A17-K21 WeakPolarHBondContact O-CG 3.47Å; A17-K21 PolarHBondContact O-N 3.13Å; I19-K21 VanDerWaalsContact C-N 3.29Å; I19-K21 PolarHBondContact O-N 3.22Å; K21-V25 HydrophobicContact CB-CG2 4.49Å; K21-V25 HydrophobicContact CG-CG2 4.23Å; K21-N67 PolarHBondContact NZ-O 3.49Å; K21-L68 VanDerWaalsContact CE-C 3.46Å; K21-L68 WeakPolarHBondContact CE-O 3.25Å
22	A	95.8	Very high	96.4	Very high	94 Å²	94	55.7 Å²	55.7	78%	0.777	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-21.3	172.2	0	0	0	0	0	112.5	N18 I19 I20	N18-A22 PolarHBondContact O-N 3.24Å; I19-A22 VanDerWaalsContact O-CB 3.3Å; I19-A22 WeakPolarHBondContact O-CB 3.4Å; I19-A22 PolarHBondContact O-N 2.84Å; I19-A22 VanDerWaalsContact O-N 3.11Å; I20-A22 PolarHBondContact O-N 2.98Å
23	G	94.7	Very high	96.5	Very high	31 Å²	31	48.9 Å²	48.9	32%	0.32	26%	0.26	S	S	.	.	S	Bend	trans	-95.5	-174.2	173.8	0	0	0	0	0	113.3	I20 V25	I20-G23 PolarHBondContact O-N 2.69Å; G23-V25 PolarHBondContact O-N 3.34Å
24	P	96.4	Very high	96.5	Very high	49 Å²	49	49.4 Å²	49.4	32%	0.318	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-65.3	126.9	173.9	26.2	-30.6	0	0	0	110	F247 Q248 H251	P24-F247 HydrophobicContact CB-CE1 4.23Å; P24-F247 WeakPolarHBondContact O-CE1 3.27Å; P24-Q248 HydrophobicContact CG-CG 4.16Å; P24-Q248 VanDerWaalsContact O-CG 3.27Å; P24-Q248 WeakPolarHBondContact O-CG 3.49Å; P24-Q248 PolarHBondContact O-NE2 2.94Å; P24-H251 HydrophobicContact CG-CB 3.85Å
25	V	95.9	Very high	96.5	Very high	46 Å²	46	43.8 Å²	43.8	28%	0.279	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-101.1	131.8	177.8	-178.9	0	0	0	0	108.8	K21 G23 I70	K21-V25 HydrophobicContact CB-CG2 4.49Å; K21-V25 HydrophobicContact CG-CG2 4.23Å; G23-V25 PolarHBondContact O-N 3.34Å; V25-I70 HydrophobicContact CG1-CG1 4.09Å
26	P	97.9	Very high	96.5	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.006	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-63.5	138.8	175.8	29.2	-37	0	0	0	110.1	I29 I70 D201 I202 I244 F247	P26-I29 HydrophobicContact CB-CD1 4.47Å; P26-I29 HydrophobicContact CB-CG1 4.11Å; P26-I29 HydrophobicContact CG-CD1 3.86Å; P26-I29 HydrophobicContact CG-CG1 4.05Å; P26-I70 HydrophobicContact CG-CD1 4.21Å; P26-I70 HydrophobicContact CG-CG1 4.28Å; P26-I70 WeakPolarHBondContact O-CG1 3.31Å; P26-D201 HydrophobicContact CB-CB 3.66Å; P26-I202 HydrophobicContact CB-CD1 3.89Å; P26-I202 HydrophobicContact CB-CG1 3.94Å; P26-I202 HydrophobicContact CG-CD1 3.74Å; P26-I202 HydrophobicContact CG-CG1 4.35Å; P26-I244 HydrophobicContact CG-CG1 4.18Å; P26-F247 HydrophobicContact CB-CD1 4.29Å; P26-F247 HydrophobicContact CB-CE1 4.19Å; P26-F247 HydrophobicContact CB-CZ 4.42Å; P26-F247 HydrophobicContact CG-CD1 4.45Å
27	K	97.6	Very high	96.5	Very high	158 Å²	158	43 Å²	43	69%	0.687	23%	0.233	S	C	*	.	S	Bend	trans	-86.9	-32.5	177.5	-63.8	179.8	-177.4	176.7	0	111.4	E72 D201	K27-E72 PolarHBondContact O-N 3.39Å; K27-D201 PolarHBondContact N-OD2 2.99Å
28	H	98.7	Very high	96.6	Very high	4 Å²	4	47.6 Å²	47.6	2%	0.019	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	124.7	-177.6	-179.8	-169.6	0	0	0	111	E72 T74 P198 D201	H28-E72 WeakPolarHBondContact CA-O 3.5Å; H28-E72 HydrophobicContact CB-CB 4.17Å; H28-E72 HydrophobicContact CB-CG 4.41Å; H28-E72 PolarHBondContact CD2-O 3.19Å; H28-T74 PolarHBondContact CE1-OG1 3.04Å; H28-T74 VanDerWaalsContact CE1-OG1 3.26Å; H28-T74 WeakPolarHBondContact NE2-CB 3.48Å; H28-T74 PolarHBondContact NE2-OG1 2.85Å; H28-P198 HydrophobicContact CB-CG 4.42Å; H28-P198 PolarHBondContact CE1-O 2.66Å; H28-P198 PolarHBondContact ND1-O 3.35Å; H28-D201 PolarHBondContact N-OD2 2.91Å; H28-D201 PolarHBondContact O-N 3.02Å
29	I	98.8	Very high	96.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	133.3	173	-58.8	-176.6	0	0	0	110.6	P26 F31 I70 E72 V73 T74 I202 I204 L240 I244	P26-I29 HydrophobicContact CB-CD1 4.47Å; P26-I29 HydrophobicContact CB-CG1 4.11Å; P26-I29 HydrophobicContact CG-CD1 3.86Å; P26-I29 HydrophobicContact CG-CG1 4.05Å; I29-F31 HydrophobicContact CB-CE2 4.01Å; I29-F31 HydrophobicContact CB-CZ 4.42Å; I29-F31 HydrophobicContact CG2-CD2 3.96Å; I29-F31 HydrophobicContact CG2-CE1 4.2Å; I29-F31 HydrophobicContact CG2-CE2 3.38Å; I29-F31 HydrophobicContact CG2-CZ 3.53Å; I29-I70 HydrophobicContact CD1-CD1 3.66Å; I29-I70 HydrophobicContact CD1-CG2 4.26Å; I29-I70 HydrophobicContact CG1-CG2 4.07Å; I29-E72 PolarHBondContact N-O 3.36Å; I29-E72 VanDerWaalsContact N-O 3.11Å; I29-V73 CarbonylContact O-C 3.55Å; I29-V73 VanDerWaalsContact O-CA 3.27Å; I29-V73 WeakPolarHBondContact O-CA 3.46Å; I29-T74 PolarHBondContact O-N 3.24Å; I29-I202 HydrophobicContact CD1-CD1 4.11Å; I29-I202 HydrophobicContact CG1-CB 4.27Å; I29-I202 HydrophobicContact CG1-CD1 4.28Å; I29-I202 HydrophobicContact CG1-CG1 4.33Å; I29-I202 HydrophobicContact CG2-CB 4.28Å; I29-I204 HydrophobicContact CG2-CD1 3.67Å; I29-I204 HydrophobicContact CG2-CG1 4.14Å; I29-L240 HydrophobicContact CD1-CD1 3.94Å; I29-I244 HydrophobicContact CD1-CG1 4.43Å
30	A	98.8	Very high	96.8	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	140.9	172.3	0	0	0	0	0	111.7	T74 P200 I202 L203 I204 F215 L216	A30-T74 CarbonylContact C-O 3.57Å; A30-T74 WeakPolarHBondContact CA-O 3.46Å; A30-P200 HydrophobicContact CB-CB 3.93Å; A30-P200 HydrophobicContact CB-CG 3.83Å; A30-I202 PolarHBondContact N-O 2.67Å; A30-L203 HydrophobicContact CB-CD1 3.65Å; A30-I204 PolarHBondContact O-N 2.92Å; A30-F215 HydrophobicContact CB-CE1 4.13Å; A30-L216 HydrophobicContact CB-CD1 3.66Å
31	F	98.8	Very high	96.9	Very high	1 Å²	1	47.9 Å²	47.9	0%	0.004	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	128.2	-179.1	-64.9	-92.4	0	0	0	112.8	I29 M33 T61 V73 T74 V75 Y76 I204 W232 Y235 L240	I29-F31 HydrophobicContact CB-CE2 4.01Å; I29-F31 HydrophobicContact CB-CZ 4.42Å; I29-F31 HydrophobicContact CG2-CD2 3.96Å; I29-F31 HydrophobicContact CG2-CE1 4.2Å; I29-F31 HydrophobicContact CG2-CE2 3.38Å; I29-F31 HydrophobicContact CG2-CZ 3.53Å; F31-M33 HydrophobicContact CB-CG 4.19Å; F31-T61 HydrophobicContact CE1-CG2 4.04Å; F31-T61 HydrophobicContact CE2-CG2 4.17Å; F31-T61 HydrophobicContact CZ-CG2 3.66Å; F31-V73 HydrophobicContact CD2-CG1 3.7Å; F31-V73 HydrophobicContact CE2-CG1 3.76Å; F31-T74 PolarHBondContact N-O 3.04Å; F31-V75 HydrophobicContact CB-CG1 4.16Å; F31-V75 HydrophobicContact CD2-CG1 4.27Å; F31-V75 WeakPolarHBondContact O-CA 3.45Å; F31-Y76 PolarHBondContact O-N 3.5Å; F31-I204 CarbonylContact C-O 3.57Å; F31-I204 WeakPolarHBondContact CA-O 3.45Å; F31-I204 HydrophobicContact CD1-CB 3.84Å; F31-I204 HydrophobicContact CD1-CD1 4.14Å; F31-I204 HydrophobicContact CD1-CG1 4.5Å; F31-I204 HydrophobicContact CD1-CG2 4.1Å; F31-I204 HydrophobicContact CE1-CB 4.11Å; F31-I204 HydrophobicContact CE1-CD1 3.5Å; F31-I204 HydrophobicContact CE1-CG1 4.33Å; F31-I204 HydrophobicContact CE1-CG2 4.3Å; F31-I204 HydrophobicContact CZ-CD1 3.95Å; F31-W232 HydrophobicContact CB-CZ3 4.37Å; F31-W232 HydrophobicContact CD1-CH2 4.22Å; F31-W232 AromaticContact CD1-CZ3 3.79Å; F31-W232 HydrophobicContact CD1-CZ3 3.79Å; F31-W232 HydrophobicContact CE1-CZ3 4.4Å; F31-W232 HydrophobicContact CG-CH2 4.39Å; F31-W232 HydrophobicContact CG-CZ3 4.29Å; F31-Y235 HydrophobicContact CE1-CE1 4.08Å; F31-L240 HydrophobicContact CZ-CD1 4.04Å
32	I	98.6	Very high	97	Very high	10 Å²	10	49.8 Å²	49.8	5%	0.051	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	98.5	162.7	-57	175.6	0	0	0	107.6	D34 Y76 L203 I204 R205 T206 L212 F215	I32-D34 VanDerWaalsContact C-N 3.25Å; I32-D34 HydrophobicContact CG2-CB 4.44Å; I32-D34 PolarHBondContact O-N 3.5Å; I32-Y76 HydrophobicContact CG1-CD1 4.43Å; I32-Y76 HydrophobicContact CG2-CD1 4.44Å; I32-L203 HydrophobicContact CD1-CD1 4.36Å; I32-L203 HydrophobicContact CD1-CD2 4.47Å; I32-L203 HydrophobicContact CG1-CD1 4.18Å; I32-I204 PolarHBondContact N-O 3.47Å; I32-R205 HydrophobicContact CB-CB 3.97Å; I32-R205 HydrophobicContact CB-CG 3.94Å; I32-R205 HydrophobicContact CD1-CB 4.23Å; I32-R205 HydrophobicContact CD1-CG 4.46Å; I32-R205 HydrophobicContact CG1-CB 4.49Å; I32-R205 HydrophobicContact CG2-CG 4.04Å; I32-T206 PolarHBondContact O-N 3.1Å; I32-T206 PolarHBondContact O-OG1 3.4Å; I32-L212 WeakPolarHBondContact CD1-O 3.1Å; I32-F215 HydrophobicContact CD1-CB 4.06Å; I32-F215 HydrophobicContact CD1-CD1 3.82Å; I32-F215 HydrophobicContact CD1-CG 4.33Å; I32-F215 HydrophobicContact CG1-CB 4.33Å; I32-F215 HydrophobicContact CG1-CD1 3.39Å; I32-F215 HydrophobicContact CG1-CE1 3.9Å; I32-F215 HydrophobicContact CG1-CG 4.09Å
33	M	97.4	Very high	97	Very high	27 Å²	27	47.9 Å²	47.9	13%	0.133	23%	0.23	C	C	.	.			trans	-78.6	61.9	-172.8	-58.6	-175.7	-62.7	0	0	112.7	F31 N36 L58 V75 A77 W232	F31-M33 HydrophobicContact CB-CG 4.19Å; M33-N36 PolarHBondContact O-ND2 2.92Å; M33-L58 HydrophobicContact SD-CB 4.2Å; M33-L58 HydrophobicContact SD-CD1 4.03Å; M33-L58 HydrophobicContact SD-CD2 4.4Å; M33-L58 HydrophobicContact SD-CG 4.45Å; M33-V75 HydrophobicContact CE-CB 3.81Å; M33-V75 HydrophobicContact CE-CG2 4.02Å; M33-V75 HydrophobicContact SD-CB 3.96Å; M33-V75 HydrophobicContact SD-CG1 4.2Å; M33-A77 HydrophobicContact CE-CB 4.28Å; M33-W232 HydrophobicContact CB-CB 4.43Å; M33-W232 HydrophobicContact CB-CD2 3.59Å; M33-W232 HydrophobicContact CB-CE3 4.1Å; M33-W232 HydrophobicContact CB-CG 3.71Å; M33-W232 HydrophobicContact CB-CZ2 4.29Å; M33-W232 HydrophobicContact CG-CD2 3.67Å; M33-W232 VanDerWaalsContact CG-CE2 3.45Å; M33-W232 HydrophobicContact CG-CE3 3.91Å; M33-W232 HydrophobicContact CG-CG 4.32Å; M33-W232 HydrophobicContact CG-CH2 3.79Å; M33-W232 HydrophobicContact CG-CZ2 3.52Å; M33-W232 HydrophobicContact CG-CZ3 3.98Å; M33-W232 HydrophobicContact SD-CD2 4.35Å; M33-W232 VanDerWaalsContact SD-CE2 3.51Å; M33-W232 HydrophobicContact SD-CH2 3.99Å; M33-W232 HydrophobicContact SD-CZ2 3.29Å; M33-W232 WeakPolarHBondContact SD-CZ2 3.35Å
34	D	96.8	Very high	97.1	Very high	43 Å²	43	55.3 Å²	55.3	23%	0.23	26%	0.257	C	S	.	.			trans	-89	153.9	-176.1	-164.3	-4.9	0	0	0	112.3	I32 R38 R205 T206 S207 W232	I32-D34 VanDerWaalsContact C-N 3.25Å; I32-D34 HydrophobicContact CG2-CB 4.44Å; I32-D34 PolarHBondContact O-N 3.5Å; D34-R38 VanDerWaalsContact CG-NH2 3.35Å; D34-R38 IonicContact OD1-NH2 3.56Å; D34-R38 PolarHBondContact OD1-NH2 2.77Å; D34-R38 IonicContact OD2-NH2 3.57Å; D34-R38 PolarHBondContact OD2-NH2 3.01Å; D34-R205 IonicContact OD2-CZ 2.8Å; D34-R205 IonicContact OD2-NE 3.43Å; D34-R205 IonicContact OD2-NH2 2.6Å; D34-R205 PolarHBondContact OD2-NH2 3.36Å; D34-T206 PolarHBondContact N-OG1 3.19Å; D34-T206 PolarHBondContact O-OG1 2.77Å; D34-S207 WeakPolarHBondContact CB-OG 3.44Å; D34-S207 PolarHBondContact OD2-OG 2.78Å; D34-W232 WeakPolarHBondContact O-CB 3.49Å; D34-W232 PolarHBondContact O-N 3.44Å
35	G	96.3	Very high	97.1	Very high	1 Å²	1	56 Å²	56	1%	0.01	26%	0.26	C	S	.	.			trans	110.1	-4.3	174.3	0	0	0	0	0	115.5	R37 R38 Y39	G35-R37 VanDerWaalsContact C-N 3.34Å; G35-R37 PolarHBondContact O-N 3.03Å; G35-R38 WeakPolarHBondContact O-CB 3.3Å; G35-R38 PolarHBondContact O-N 3.1Å; G35-Y39 WeakPolarHBondContact O-CB 3.35Å; G35-Y39 PolarHBondContact O-N 3.46Å
36	N	96.3	Very high	96.9	Very high	23 Å²	23	61.1 Å²	61.1	12%	0.123	28%	0.281	C	S	.	.	H	α-helix	trans	-53.9	-44.6	-176.1	-61.3	-33.7	0	0	0	113.6	M33 Y39 A40 P233	M33-N36 PolarHBondContact O-ND2 2.92Å; N36-Y39 WeakPolarHBondContact O-CB 3.49Å; N36-Y39 PolarHBondContact O-N 3.08Å; N36-A40 PolarHBondContact O-N 2.93Å; N36-P233 VanDerWaalsContact OD1-CD 3.31Å; N36-P233 WeakPolarHBondContact OD1-CD 3.3Å; N36-P233 VanDerWaalsContact OD1-CG 3.26Å; N36-P233 WeakPolarHBondContact OD1-CG 3.49Å
37	R	94.4	Very high	96.6	Very high	113 Å²	113	67.8 Å²	67.8	43%	0.426	31%	0.306	S	S	.	.	H	α-helix	trans	-69.9	-36.5	178.4	-61.3	-174	-61.4	-178.1	4.1	113.1	G35 Y39 A40 K41 E89	G35-R37 VanDerWaalsContact C-N 3.34Å; G35-R37 PolarHBondContact O-N 3.03Å; R37-Y39 VanDerWaalsContact C-N 3.32Å; R37-A40 PolarHBondContact O-N 3.33Å; R37-K41 PolarHBondContact O-N 3.44Å; R37-K41 VanDerWaalsContact O-N 3.08Å; R37-E89 WeakPolarHBondContact CD-OE1 3.35Å; R37-E89 IonicContact CZ-OE1 3.04Å; R37-E89 IonicContact NE-OE1 3.19Å; R37-E89 IonicContact NH1-OE1 2.66Å; R37-E89 PolarHBondContact NH1-OE1 3.29Å; R37-E89 IonicContact NH1-OE2 3.92Å
38	R	96.7	Very high	96.3	Very high	96 Å²	96	63.6 Å²	63.6	36%	0.362	29%	0.289	S	S	.	.	H	α-helix	trans	-67	-39	175.9	-78.5	174.2	-83	-168.2	-9.2	110.3	D34 G35 K41 K42 S207 E209 L231	D34-R38 VanDerWaalsContact CG-NH2 3.35Å; D34-R38 IonicContact OD1-NH2 3.56Å; D34-R38 PolarHBondContact OD1-NH2 2.77Å; D34-R38 IonicContact OD2-NH2 3.57Å; D34-R38 PolarHBondContact OD2-NH2 3.01Å; G35-R38 WeakPolarHBondContact O-CB 3.3Å; G35-R38 PolarHBondContact O-N 3.1Å; R38-K41 PolarHBondContact O-N 3.12Å; R38-K42 WeakPolarHBondContact O-CB 3.49Å; R38-K42 PolarHBondContact O-N 2.92Å; R38-S207 VanDerWaalsContact CZ-CB 3.47Å; R38-S207 PolarHBondContact NH1-O 3.12Å; R38-S207 VanDerWaalsContact NH1-O 3.16Å; R38-S207 PolarHBondContact NH2-OG 2.86Å; R38-E209 IonicContact CZ-OE1 3.52Å; R38-E209 IonicContact NH1-OE1 2.71Å; R38-E209 PolarHBondContact NH1-OE1 3.36Å; R38-E209 IonicContact NH2-OE1 3.44Å; R38-L231 HydrophobicContact CB-CD1 4.09Å; R38-L231 HydrophobicContact CB-CD2 3.92Å
39	Y	97.7	Very high	96	Very high	43 Å²	43	67 Å²	67	17%	0.169	31%	0.305	C	S	.	.	H	α-helix	trans	-63.8	-48	173.8	171.4	-96.3	0	0	0	111.3	G35 N36 R37 K41 K42 C43 Q53 P233 E234	G35-Y39 WeakPolarHBondContact O-CB 3.35Å; G35-Y39 PolarHBondContact O-N 3.46Å; N36-Y39 WeakPolarHBondContact O-CB 3.49Å; N36-Y39 PolarHBondContact O-N 3.08Å; R37-Y39 VanDerWaalsContact C-N 3.32Å; Y39-K41 VanDerWaalsContact C-N 3.28Å; Y39-K41 PolarHBondContact O-N 3.21Å; Y39-K42 WeakPolarHBondContact O-CB 3.08Å; Y39-K42 PolarHBondContact O-N 3.31Å; Y39-C43 WeakPolarHBondContact CE2-SG 3.47Å; Y39-C43 VanDerWaalsContact CZ-SG 3.59Å; Y39-C43 PolarHBondContact O-N 3.42Å; Y39-Q53 HydrophobicContact CE1-CB 4.06Å; Y39-Q53 HydrophobicContact CE1-CG 4.17Å; Y39-P233 HydrophobicContact CD1-CB 3.6Å; Y39-P233 HydrophobicContact CD1-CG 3.62Å; Y39-P233 HydrophobicContact CD2-CB 3.89Å; Y39-P233 HydrophobicContact CD2-CG 4.33Å; Y39-P233 HydrophobicContact CE1-CB 3.76Å; Y39-P233 HydrophobicContact CE1-CG 4.26Å; Y39-P233 HydrophobicContact CE2-CB 4.03Å; Y39-P233 HydrophobicContact CG-CB 3.65Å; Y39-P233 HydrophobicContact CG-CG 3.66Å; Y39-E234 HydrophobicContact CD2-CG 3.52Å; Y39-E234 HydrophobicContact CE2-CG 3.65Å
40	A	96.5	Very high	95.7	Very high	1 Å²	1	67 Å²	67	1%	0.008	31%	0.305	C	S	.	.	H	α-helix	trans	-54.7	-46	176.2	0	0	0	0	0	111.9	N36 R37 C43 Q44 V45 E46	N36-A40 PolarHBondContact O-N 2.93Å; R37-A40 PolarHBondContact O-N 3.33Å; A40-C43 PolarHBondContact O-N 2.89Å; A40-Q44 PolarHBondContact O-N 3Å; A40-V45 CarbonylContact C-O 3.58Å; A40-V45 HydrophobicContact CB-CG2 4.03Å; A40-V45 PolarHBondContact O-N 3.47Å; A40-E46 WeakPolarHBondContact CB-O 3.24Å
41	K	96.6	Very high	95.4	Very high	176 Å²	176	68 Å²	68	77%	0.765	31%	0.309	S	S	*	.	H	α-helix	trans	-62.5	-42.6	175.1	-173.8	178.3	179	-177.9	0	112.5	R37 R38 Y39 Q44	R37-K41 PolarHBondContact O-N 3.44Å; R37-K41 VanDerWaalsContact O-N 3.08Å; R38-K41 PolarHBondContact O-N 3.12Å; Y39-K41 VanDerWaalsContact C-N 3.28Å; Y39-K41 PolarHBondContact O-N 3.21Å; K41-Q44 PolarHBondContact O-N 3.16Å
42	K	96.9	Very high	95.1	Very high	128 Å²	128	69.2 Å²	69.2	56%	0.557	32%	0.318	S	S	*	.	H	α-helix	trans	-61.9	-42.4	178.7	-176.4	-173	179.6	-170.8	0	111.7	R38 Y39 Q44 L231 E234	R38-K42 WeakPolarHBondContact O-CB 3.49Å; R38-K42 PolarHBondContact O-N 2.92Å; Y39-K42 WeakPolarHBondContact O-CB 3.08Å; Y39-K42 PolarHBondContact O-N 3.31Å; K42-Q44 VanDerWaalsContact C-N 3.33Å; K42-L231 HydrophobicContact CD-CD1 4.3Å; K42-E234 VanDerWaalsContact NZ-CD 3.26Å; K42-E234 IonicContact NZ-OE1 2.77Å; K42-E234 PolarHBondContact NZ-OE1 3.17Å; K42-E234 IonicContact NZ-OE2 3.62Å; K42-E234 PolarHBondContact NZ-OE2 3.12Å
43	C	96.1	Very high	95	Very high	55 Å²	55	71.8 Å²	71.8	37%	0.372	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	2.4	-179.6	-65.3	0	0	0	0	113.8	Y39 A40 V45	Y39-C43 WeakPolarHBondContact CE2-SG 3.47Å; Y39-C43 VanDerWaalsContact CZ-SG 3.59Å; Y39-C43 PolarHBondContact O-N 3.42Å; A40-C43 PolarHBondContact O-N 2.89Å; C43-V45 HydrophobicContact CB-CG1 4.39Å; C43-V45 HydrophobicContact CB-CG2 4.2Å; C43-V45 PolarHBondContact O-N 3.19Å
44	Q	96.4	Very high	94.9	Very high	187 Å²	187	70.7 Å²	70.7	87%	0.874	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	35.5	-177.6	-56.4	179.2	-11.2	0	0	113.7	A40 K41 K42	A40-Q44 PolarHBondContact O-N 3Å; K41-Q44 PolarHBondContact O-N 3.16Å; K42-Q44 VanDerWaalsContact C-N 3.33Å
45	V	95.6	Very high	94.7	Very high	63 Å²	63	69.9 Å²	69.9	38%	0.382	32%	0.32	S	S	.	.			trans	-109.8	165.5	175.7	-60.5	0	0	0	0	111	A40 C43 E49	A40-V45 CarbonylContact C-O 3.58Å; A40-V45 HydrophobicContact CB-CG2 4.03Å; A40-V45 PolarHBondContact O-N 3.47Å; C43-V45 HydrophobicContact CB-CG1 4.39Å; C43-V45 HydrophobicContact CB-CG2 4.2Å; C43-V45 PolarHBondContact O-N 3.19Å; V45-E49 HydrophobicContact CB-CB 4.23Å; V45-E49 HydrophobicContact CB-CG 4.17Å; V45-E49 HydrophobicContact CG2-CB 4.2Å; V45-E49 HydrophobicContact CG2-CG 4.14Å
46	E	92.8	Very high	94.5	Very high	153 Å²	153	70.6 Å²	70.6	72%	0.715	32%	0.323	S	S	*	.			trans	-64.5	154.1	176.1	-63.5	-166.5	165.2	0	0	112.4	A40 Q48 E49 G50	A40-E46 WeakPolarHBondContact CB-O 3.24Å; E46-Q48 PolarHBondContact O-N 3.42Å; E46-E49 WeakPolarHBondContact O-CB 3.5Å; E46-E49 PolarHBondContact O-N 2.87Å; E46-E49 VanDerWaalsContact O-N 3.13Å; E46-G50 PolarHBondContact O-N 3.46Å; E46-G50 VanDerWaalsContact O-N 3.16Å
47	R	91.5	Very high	94.5	Very high	141 Å²	141	70.8 Å²	70.8	53%	0.532	32%	0.323	S	S	.	.	H	α-helix	trans	-58	-38.9	179.3	-68.6	-176.3	-173.6	167.9	10.9	112.1	E49 G50 H51 E89	R47-E49 VanDerWaalsContact C-N 3.3Å; R47-E49 PolarHBondContact O-N 3.19Å; R47-G50 PolarHBondContact O-N 3.45Å; R47-H51 PolarHBondContact O-CD2 3Å; R47-H51 PolarHBondContact O-N 2.79Å; R47-H51 VanDerWaalsContact O-N 3.12Å; R47-E89 IonicContact CZ-OE2 3.98Å; R47-E89 IonicContact NH1-OE2 2.96Å; R47-E89 PolarHBondContact NH1-OE2 2.75Å
48	Q	90.6	Very high	94.6	Very high	70 Å²	70	65.9 Å²	65.9	33%	0.327	31%	0.305	S	S	.	.	H	α-helix	trans	-61.1	-41.8	179.2	-171.3	64.3	9	0	0	111.2	E46 G50 H51 S52 G92	E46-Q48 PolarHBondContact O-N 3.42Å; Q48-G50 VanDerWaalsContact C-N 3.34Å; Q48-G50 PolarHBondContact O-N 2.87Å; Q48-H51 PolarHBondContact O-N 2.99Å; Q48-S52 PolarHBondContact O-N 2.99Å; Q48-G92 PolarHBondContact NE2-O 3.48Å; Q48-G92 PolarHBondContact OE1-O 2.99Å
49	E	92.3	Very high	94.4	Very high	76 Å²	76	61.4 Å²	61.4	36%	0.355	29%	0.289	S	S	.	.	H	α-helix	trans	-64.3	-39.9	176	-177.2	53.8	-151.7	0	0	111.4	V45 E46 R47 H51 S52 Q53	V45-E49 HydrophobicContact CB-CB 4.23Å; V45-E49 HydrophobicContact CB-CG 4.17Å; V45-E49 HydrophobicContact CG2-CB 4.2Å; V45-E49 HydrophobicContact CG2-CG 4.14Å; E46-E49 WeakPolarHBondContact O-CB 3.5Å; E46-E49 PolarHBondContact O-N 2.87Å; E46-E49 VanDerWaalsContact O-N 3.13Å; R47-E49 VanDerWaalsContact C-N 3.3Å; R47-E49 PolarHBondContact O-N 3.19Å; E49-H51 VanDerWaalsContact C-N 3.28Å; E49-H51 PolarHBondContact O-N 3.06Å; E49-S52 WeakPolarHBondContact O-CB 3.42Å; E49-S52 PolarHBondContact O-N 3.43Å; E49-S52 VanDerWaalsContact O-N 3.16Å; E49-Q53 WeakPolarHBondContact O-CG 3.34Å; E49-Q53 PolarHBondContact O-N 2.98Å; E49-Q53 WeakPolarHBondContact OE1-CG 3.41Å; E49-Q53 PolarHBondContact OE1-NE2 3.47Å
50	G	93.8	Very high	94.2	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-58.4	-37.7	173	0	0	0	0	0	113.7	E46 R47 Q48 G54	E46-G50 PolarHBondContact O-N 3.46Å; E46-G50 VanDerWaalsContact O-N 3.16Å; R47-G50 PolarHBondContact O-N 3.45Å; Q48-G50 VanDerWaalsContact C-N 3.34Å; Q48-G50 PolarHBondContact O-N 2.87Å; G50-G54 PolarHBondContact O-N 3.37Å
51	H	92.4	Very high	94.2	Very high	22 Å²	22	61.5 Å²	61.5	10%	0.102	29%	0.291	C	S	.	.	H	α-helix	trans	-72.1	-39.1	174.5	-75.3	-68.4	0	0	0	112.6	R47 Q48 E49 Q53 G54 F55 L93 L96	R47-H51 PolarHBondContact O-CD2 3Å; R47-H51 PolarHBondContact O-N 2.79Å; R47-H51 VanDerWaalsContact O-N 3.12Å; Q48-H51 PolarHBondContact O-N 2.99Å; E49-H51 VanDerWaalsContact C-N 3.28Å; E49-H51 PolarHBondContact O-N 3.06Å; H51-Q53 VanDerWaalsContact C-N 3.34Å; H51-Q53 PolarHBondContact O-N 3.06Å; H51-G54 PolarHBondContact O-N 3.31Å; H51-F55 PolarHBondContact O-N 3.26Å; H51-L93 HydrophobicContact CB-CD2 4.2Å; H51-L96 HydrophobicContact CB-CD2 3.87Å
52	S	92.7	Very high	94.1	Very high	26 Å²	26	54.7 Å²	54.7	18%	0.182	26%	0.262	C	S	.	.	H	α-helix	trans	-58.6	-45.1	172.7	-175.3	0	0	0	0	111.6	Q48 E49 G54 F55 N56	Q48-S52 PolarHBondContact O-N 2.99Å; E49-S52 WeakPolarHBondContact O-CB 3.42Å; E49-S52 PolarHBondContact O-N 3.43Å; E49-S52 VanDerWaalsContact O-N 3.16Å; S52-G54 VanDerWaalsContact C-N 3.35Å; S52-G54 PolarHBondContact O-N 2.71Å; S52-F55 WeakPolarHBondContact O-CB 3.4Å; S52-F55 PolarHBondContact O-N 3.18Å; S52-N56 PolarHBondContact O-N 3.34Å
53	Q	94.9	Very high	93.8	Very high	64 Å²	64	51.2 Å²	51.2	30%	0.299	25%	0.246	S	C	.	.	H	α-helix	trans	-66.4	-36	174.9	-65.1	-61.7	-3.2	0	0	112.7	Y39 E49 H51 F55 N56 K57 P233	Y39-Q53 HydrophobicContact CE1-CB 4.06Å; Y39-Q53 HydrophobicContact CE1-CG 4.17Å; E49-Q53 WeakPolarHBondContact O-CG 3.34Å; E49-Q53 PolarHBondContact O-N 2.98Å; E49-Q53 WeakPolarHBondContact OE1-CG 3.41Å; E49-Q53 PolarHBondContact OE1-NE2 3.47Å; H51-Q53 VanDerWaalsContact C-N 3.34Å; H51-Q53 PolarHBondContact O-N 3.06Å; Q53-F55 VanDerWaalsContact C-N 3.3Å; Q53-F55 PolarHBondContact O-N 2.91Å; Q53-N56 WeakPolarHBondContact O-CB 3.31Å; Q53-N56 PolarHBondContact O-N 2.91Å; Q53-N56 VanDerWaalsContact O-N 3.14Å; Q53-N56 PolarHBondContact OE1-ND2 3.08Å; Q53-K57 PolarHBondContact O-N 3.35Å; Q53-P233 HydrophobicContact CB-CB 4.13Å
54	G	95.1	Very high	93.8	Very high	4 Å²	4	49 Å²	49	4%	0.041	23%	0.23	C	C	.	.	H	α-helix	trans	-58	-42.4	171	0	0	0	0	0	112.4	G50 H51 S52 K57 L58 W232	G50-G54 PolarHBondContact O-N 3.37Å; H51-G54 PolarHBondContact O-N 3.31Å; S52-G54 VanDerWaalsContact C-N 3.35Å; S52-G54 PolarHBondContact O-N 2.71Å; G54-K57 PolarHBondContact O-N 2.98Å; G54-L58 PolarHBondContact O-N 2.88Å; G54-W232 VanDerWaalsContact CA-CD1 3.45Å; G54-W232 PolarHBondContact O-NE1 2.86Å
55	F	93	Very high	93.8	Very high	25 Å²	25	40.1 Å²	40.1	11%	0.11	19%	0.188	C	C	.	.	H	α-helix	trans	-65.2	-41.2	173.3	-178.9	-86.1	0	0	0	112.3	W3 H51 S52 Q53 K57 L58 A59 K100	W3-F55 AromaticContact CD1-CZ 3.86Å; W3-F55 HydrophobicContact CD2-CE2 4.08Å; W3-F55 AromaticContact CD2-CZ 3.69Å; W3-F55 HydrophobicContact CD2-CZ 3.69Å; W3-F55 AromaticContact CE2-CE2 3.7Å; W3-F55 AromaticContact CE2-CZ 3.49Å; W3-F55 VanDerWaalsContact CE2-CZ 3.49Å; W3-F55 HydrophobicContact CE3-CE2 4.4Å; W3-F55 HydrophobicContact CE3-CZ 4.35Å; W3-F55 AromaticContact CG-CZ 3.93Å; W3-F55 HydrophobicContact CG-CZ 3.93Å; W3-F55 HydrophobicContact CH2-CE2 4.07Å; W3-F55 AromaticContact CZ2-CE2 3.7Å; W3-F55 HydrophobicContact CZ2-CE2 3.7Å; W3-F55 HydrophobicContact CZ2-CZ 4.01Å; W3-F55 HydrophobicContact CZ3-CE2 4.4Å; W3-F55 AromaticContact NE1-CZ 3.58Å; H51-F55 PolarHBondContact O-N 3.26Å; S52-F55 WeakPolarHBondContact O-CB 3.4Å; S52-F55 PolarHBondContact O-N 3.18Å; Q53-F55 VanDerWaalsContact C-N 3.3Å; Q53-F55 PolarHBondContact O-N 2.91Å; F55-K57 PolarHBondContact O-N 3.09Å; F55-L58 HydrophobicContact CD2-CD2 4.47Å; F55-L58 WeakPolarHBondContact O-CB 3.38Å; F55-L58 PolarHBondContact O-N 3.17Å; F55-L58 VanDerWaalsContact O-N 3.11Å; F55-A59 PolarHBondContact O-N 3.05Å; F55-K100 HydrophobicContact CD1-CD 3.64Å; F55-K100 HydrophobicContact CD1-CG 4.19Å; F55-K100 HydrophobicContact CD2-CB 4.38Å; F55-K100 HydrophobicContact CD2-CD 4.13Å; F55-K100 HydrophobicContact CD2-CG 3.73Å; F55-K100 HydrophobicContact CE1-CD 3.5Å; F55-K100 HydrophobicContact CE1-CG 4.11Å; F55-K100 HydrophobicContact CE2-CB 3.84Å; F55-K100 HydrophobicContact CE2-CD 4Å; F55-K100 HydrophobicContact CE2-CG 3.63Å; F55-K100 HydrophobicContact CG-CD 3.95Å; F55-K100 HydrophobicContact CG-CG 4Å; F55-K100 HydrophobicContact CZ-CB 4.03Å; F55-K100 HydrophobicContact CZ-CD 3.68Å; F55-K100 HydrophobicContact CZ-CG 3.83Å
56	N	92.9	Very high	93.6	Very high	16 Å²	16	40.3 Å²	40.3	9%	0.086	19%	0.186	C	C	.	.	H	α-helix	trans	-60.2	-34.1	176.6	-69.1	-23.9	0	0	0	112.2	K5 S52 Q53 E60	K5-N56 PolarHBondContact NZ-O 3.32Å; S52-N56 PolarHBondContact O-N 3.34Å; Q53-N56 WeakPolarHBondContact O-CB 3.31Å; Q53-N56 PolarHBondContact O-N 2.91Å; Q53-N56 VanDerWaalsContact O-N 3.14Å; Q53-N56 PolarHBondContact OE1-ND2 3.08Å; N56-E60 PolarHBondContact O-N 3.11Å
57	K	96.7	Very high	93.6	Very high	28 Å²	28	35.5 Å²	35.5	12%	0.122	17%	0.166	C	C	.	.	H	α-helix	trans	-72.8	-34.8	175.6	-172.9	59.5	61.1	178.5	0	112.9	Q53 G54 F55 E60 T61 W64 W232 P233 Y235	Q53-K57 PolarHBondContact O-N 3.35Å; G54-K57 PolarHBondContact O-N 2.98Å; F55-K57 PolarHBondContact O-N 3.09Å; K57-E60 WeakPolarHBondContact CE-OE2 3.43Å; K57-E60 IonicContact NZ-OE2 3.35Å; K57-E60 PolarHBondContact NZ-OE2 3.23Å; K57-E60 PolarHBondContact O-N 3.15Å; K57-T61 WeakPolarHBondContact O-CB 3.49Å; K57-T61 PolarHBondContact O-N 3.43Å; K57-T61 PolarHBondContact O-OG1 2.99Å; K57-W64 HydrophobicContact CD-CH2 4.27Å; K57-W64 HydrophobicContact CD-CZ3 4.33Å; K57-W232 HydrophobicContact CB-CZ2 4.45Å; K57-W232 HydrophobicContact CG-CZ2 4.23Å; K57-W232 WeakPolarHBondContact CG-O 3.26Å; K57-P233 WeakPolarHBondContact CE-O 3.34Å; K57-Y235 VanDerWaalsContact CD-O 3.23Å; K57-Y235 WeakPolarHBondContact CD-O 3.31Å; K57-Y235 WeakPolarHBondContact CE-O 3.36Å; K57-Y235 PolarHBondContact NZ-O 3.41Å
58	L	95.3	Very high	93.8	Very high	9 Å²	9	29 Å²	29	5%	0.047	14%	0.141	C	C	.	.	H	α-helix	trans	-56	-54.7	171.4	173	60.6	0	0	0	110.9	M33 G54 F55 E60 T61 L62 V75 W232	M33-L58 HydrophobicContact SD-CB 4.2Å; M33-L58 HydrophobicContact SD-CD1 4.03Å; M33-L58 HydrophobicContact SD-CD2 4.4Å; M33-L58 HydrophobicContact SD-CG 4.45Å; G54-L58 PolarHBondContact O-N 2.88Å; F55-L58 HydrophobicContact CD2-CD2 4.47Å; F55-L58 WeakPolarHBondContact O-CB 3.38Å; F55-L58 PolarHBondContact O-N 3.17Å; F55-L58 VanDerWaalsContact O-N 3.11Å; L58-E60 PolarHBondContact O-N 2.86Å; L58-T61 PolarHBondContact O-N 2.84Å; L58-T61 VanDerWaalsContact O-N 3.08Å; L58-L62 HydrophobicContact CD1-CD1 3.99Å; L58-L62 HydrophobicContact CD1-CD2 4.34Å; L58-L62 HydrophobicContact CD1-CG 3.99Å; L58-L62 HydrophobicContact CG-CD1 4.01Å; L58-L62 HydrophobicContact CG-CG 4.43Å; L58-L62 VanDerWaalsContact O-CG 3.3Å; L58-L62 WeakPolarHBondContact O-CG 3.29Å; L58-L62 PolarHBondContact O-N 3.36Å; L58-V75 HydrophobicContact CD1-CB 4.29Å; L58-V75 HydrophobicContact CD1-CG1 3.53Å; L58-V75 HydrophobicContact CD1-CG2 4.18Å; L58-V75 HydrophobicContact CD2-CG2 4.19Å; L58-W232 HydrophobicContact CB-CZ2 4.11Å
59	A	91.8	Very high	93.9	Very high	2 Å²	2	27.7 Å²	27.7	2%	0.017	15%	0.147	C	C	.	.	H	α-helix	trans	-57.8	-36	179.2	0	0	0	0	0	112.7	K5 F55 R63	K5-A59 HydrophobicContact CD-CB 4.23Å; K5-A59 HydrophobicContact CG-CB 4.16Å; F55-A59 PolarHBondContact O-N 3.05Å; A59-R63 PolarHBondContact O-N 3.24Å
60	E	94.5	Very high	94.2	Very high	46 Å²	46	24.2 Å²	24.2	22%	0.215	13%	0.131	C	C	.	.	H	α-helix	trans	-70.4	-40.5	176.4	-166.8	178	-162.1	0	0	112.8	K5 N56 K57 L58 R63 W64	K5-E60 HydrophobicContact CD-CB 4.36Å; N56-E60 PolarHBondContact O-N 3.11Å; K57-E60 WeakPolarHBondContact CE-OE2 3.43Å; K57-E60 IonicContact NZ-OE2 3.35Å; K57-E60 PolarHBondContact NZ-OE2 3.23Å; K57-E60 PolarHBondContact O-N 3.15Å; L58-E60 PolarHBondContact O-N 2.86Å; E60-R63 WeakPolarHBondContact O-CB 3.43Å; E60-R63 PolarHBondContact O-N 3.28Å; E60-R63 IonicContact OE1-NH2 3.86Å; E60-R63 PolarHBondContact OE1-NH2 3.23Å; E60-W64 VanDerWaalsContact CD-CZ2 3.4Å; E60-W64 HydrophobicContact CG-CD2 4.42Å; E60-W64 HydrophobicContact CG-CH2 3.86Å; E60-W64 HydrophobicContact CG-CZ2 3.53Å; E60-W64 HydrophobicContact CG-CZ3 4.47Å; E60-W64 PolarHBondContact O-N 3.23Å; E60-W64 VanDerWaalsContact O-N 3.13Å; E60-W64 WeakPolarHBondContact OE1-CZ2 3.44Å
61	T	96.6	Very high	94.3	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.006	15%	0.152	C	C	.	.	H	α-helix	trans	-68	-39.7	179	-55.7	0	0	0	0	111.2	F31 K57 L58 R63 W64 C65 W232 Y235	F31-T61 HydrophobicContact CE1-CG2 4.04Å; F31-T61 HydrophobicContact CE2-CG2 4.17Å; F31-T61 HydrophobicContact CZ-CG2 3.66Å; K57-T61 WeakPolarHBondContact O-CB 3.49Å; K57-T61 PolarHBondContact O-N 3.43Å; K57-T61 PolarHBondContact O-OG1 2.99Å; L58-T61 PolarHBondContact O-N 2.84Å; L58-T61 VanDerWaalsContact O-N 3.08Å; T61-R63 VanDerWaalsContact C-N 3.3Å; T61-R63 PolarHBondContact O-N 3.07Å; T61-W64 HydrophobicContact CG2-CE3 4.42Å; T61-W64 WeakPolarHBondContact O-CB 3.28Å; T61-W64 PolarHBondContact O-N 3.42Å; T61-W64 VanDerWaalsContact O-N 3.1Å; T61-C65 PolarHBondContact O-N 2.92Å; T61-C65 PolarHBondContact O-SG 2.86Å; T61-W232 HydrophobicContact CG2-CH2 4.33Å; T61-Y235 HydrophobicContact CG2-CE1 4.49Å
62	L	93.4	Very high	94.5	Very high	32 Å²	32	28 Å²	28	17%	0.168	15%	0.151	C	C	.	.	H	α-helix	trans	-60.1	-40.8	174.8	-67.3	171.9	0	0	0	112	L58 C65 L66 V73 L150	L58-L62 HydrophobicContact CD1-CD1 3.99Å; L58-L62 HydrophobicContact CD1-CD2 4.34Å; L58-L62 HydrophobicContact CD1-CG 3.99Å; L58-L62 HydrophobicContact CG-CD1 4.01Å; L58-L62 HydrophobicContact CG-CG 4.43Å; L58-L62 VanDerWaalsContact O-CG 3.3Å; L58-L62 WeakPolarHBondContact O-CG 3.29Å; L58-L62 PolarHBondContact O-N 3.36Å; L62-C65 PolarHBondContact O-N 3.11Å; L62-L66 WeakPolarHBondContact O-CB 3.49Å; L62-L66 PolarHBondContact O-N 3.18Å; L62-V73 HydrophobicContact CD2-CB 3.63Å; L62-V73 HydrophobicContact CD2-CG1 3.68Å; L62-V73 HydrophobicContact CD2-CG2 3.88Å; L62-L150 HydrophobicContact CD1-CD1 4.15Å; L62-L150 HydrophobicContact CD1-CD2 3.6Å; L62-L150 HydrophobicContact CD1-CG 4.45Å; L62-L150 HydrophobicContact CD2-CD1 3.74Å
63	R	92.3	Very high	94.8	Very high	55 Å²	55	27 Å²	27	21%	0.208	14%	0.143	C	C	.	.	H	α-helix	trans	-60.5	-44.4	172.8	178.8	-168.9	67	-179.5	-0.6	111.5	K5 G7 A59 E60 T61 L66 N67	K5-R63 WeakPolarHBondContact O-CD 3.31Å; K5-R63 VanDerWaalsContact O-CG 3.27Å; K5-R63 WeakPolarHBondContact O-CG 3.35Å; G7-R63 WeakPolarHBondContact O-CD 3.2Å; A59-R63 PolarHBondContact O-N 3.24Å; E60-R63 WeakPolarHBondContact O-CB 3.43Å; E60-R63 PolarHBondContact O-N 3.28Å; E60-R63 IonicContact OE1-NH2 3.86Å; E60-R63 PolarHBondContact OE1-NH2 3.23Å; T61-R63 VanDerWaalsContact C-N 3.3Å; T61-R63 PolarHBondContact O-N 3.07Å; R63-L66 PolarHBondContact O-N 3.19Å; R63-N67 WeakPolarHBondContact O-CB 3.46Å; R63-N67 PolarHBondContact O-N 3.4Å
64	W	95.8	Very high	95	Very high	9 Å²	9	24 Å²	24	3%	0.034	13%	0.13	C	C	.	.	H	α-helix	trans	-62.8	-44.8	176.7	-63.1	-37.8	0	0	0	112.1	K57 E60 T61 L66 N67 L68 Y235 T236 F237 L240	K57-W64 HydrophobicContact CD-CH2 4.27Å; K57-W64 HydrophobicContact CD-CZ3 4.33Å; E60-W64 VanDerWaalsContact CD-CZ2 3.4Å; E60-W64 HydrophobicContact CG-CD2 4.42Å; E60-W64 HydrophobicContact CG-CH2 3.86Å; E60-W64 HydrophobicContact CG-CZ2 3.53Å; E60-W64 HydrophobicContact CG-CZ3 4.47Å; E60-W64 PolarHBondContact O-N 3.23Å; E60-W64 VanDerWaalsContact O-N 3.13Å; E60-W64 WeakPolarHBondContact OE1-CZ2 3.44Å; T61-W64 HydrophobicContact CG2-CE3 4.42Å; T61-W64 WeakPolarHBondContact O-CB 3.28Å; T61-W64 PolarHBondContact O-N 3.42Å; T61-W64 VanDerWaalsContact O-N 3.1Å; W64-L66 VanDerWaalsContact C-N 3.33Å; W64-L66 PolarHBondContact O-N 2.85Å; W64-N67 PolarHBondContact O-N 3.38Å; W64-L68 WeakPolarHBondContact O-CB 3.41Å; W64-L68 VanDerWaalsContact O-CG 3.27Å; W64-L68 WeakPolarHBondContact O-CG 3.23Å; W64-L68 PolarHBondContact O-N 3.16Å; W64-Y235 HydrophobicContact CZ3-CD1 4.31Å; W64-T236 VanDerWaalsContact CZ3-C 3.46Å; W64-F237 HydrophobicContact CB-CD2 4.1Å; W64-F237 AromaticContact CD1-CD2 3.79Å; W64-F237 HydrophobicContact CD2-CB 4.14Å; W64-F237 HydrophobicContact CD2-CD2 4.31Å; W64-F237 AromaticContact CG-CD2 3.84Å; W64-F237 HydrophobicContact CG-CD2 3.84Å; W64-F237 HydrophobicContact CZ2-CB 4.21Å; W64-L240 HydrophobicContact CB-CD2 3.78Å
65	C	95.7	Very high	95.2	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.007	13%	0.128	C	C	.	.	H	α-helix	trans	-55.8	-48.1	174.7	-71.4	0	0	0	0	111.2	T61 L62 N67 L68 G69 I70 V73	T61-C65 PolarHBondContact O-N 2.92Å; T61-C65 PolarHBondContact O-SG 2.86Å; L62-C65 PolarHBondContact O-N 3.11Å; C65-N67 PolarHBondContact O-N 3.02Å; C65-L68 CarbonylContact O-C 3.49Å; C65-L68 WeakPolarHBondContact O-CA 3.38Å; C65-L68 PolarHBondContact O-N 3.49Å; C65-L68 VanDerWaalsContact O-N 3.11Å; C65-G69 PolarHBondContact O-N 3.14Å; C65-G69 VanDerWaalsContact O-N 3.12Å; C65-I70 CarbonylContact C-O 3.51Å; C65-I70 HydrophobicContact CB-CB 4.01Å; C65-I70 HydrophobicContact CB-CG2 4.31Å; C65-I70 WeakPolarHBondContact O-CB 3.31Å; C65-I70 PolarHBondContact O-N 3.42Å; C65-V73 HydrophobicContact CB-CG2 3.88Å
66	L	92.3	Very high	95.4	Very high	66 Å²	66	23.6 Å²	23.6	35%	0.346	13%	0.127	S	C	.	.	H	α-helix	trans	-60.8	-46.3	178	-177	54.9	0	0	0	112.3	L62 R63 W64 L68 G69 C148	L62-L66 WeakPolarHBondContact O-CB 3.49Å; L62-L66 PolarHBondContact O-N 3.18Å; R63-L66 PolarHBondContact O-N 3.19Å; W64-L66 VanDerWaalsContact C-N 3.33Å; W64-L66 PolarHBondContact O-N 2.85Å; L66-L68 PolarHBondContact O-N 2.96Å; L66-G69 PolarHBondContact O-N 3Å; L66-C148 WeakPolarHBondContact CD1-SG 3.47Å
67	N	92.5	Very high	95.5	Very high	52 Å²	52	24.8 Å²	24.8	28%	0.278	14%	0.138	S	C	.	.	H	α-helix	trans	-62.7	-28	177	-73	-17.3	0	0	0	112.5	G7 L9 K21 R63 W64 C65 G69	G7-N67 PolarHBondContact O-ND2 2.98Å; L9-N67 HydrophobicContact CD1-CB 3.9Å; L9-N67 HydrophobicContact CD2-CB 3.98Å; L9-N67 HydrophobicContact CG-CB 3.76Å; K21-N67 PolarHBondContact NZ-O 3.49Å; R63-N67 WeakPolarHBondContact O-CB 3.46Å; R63-N67 PolarHBondContact O-N 3.4Å; W64-N67 PolarHBondContact O-N 3.38Å; C65-N67 PolarHBondContact O-N 3.02Å; N67-G69 VanDerWaalsContact C-N 3.32Å
68	L	94.9	Very high	95.4	Very high	4 Å²	4	23.5 Å²	23.5	2%	0.021	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-4.5	174.4	-69.2	171	0	0	0	113.4	A17 K21 W64 C65 L66 I70 F237 L240 I244	A17-L68 HydrophobicContact CB-CD2 3.48Å; A17-L68 VanDerWaalsContact CB-CD2 3.48Å; K21-L68 VanDerWaalsContact CE-C 3.46Å; K21-L68 WeakPolarHBondContact CE-O 3.25Å; W64-L68 WeakPolarHBondContact O-CB 3.41Å; W64-L68 VanDerWaalsContact O-CG 3.27Å; W64-L68 WeakPolarHBondContact O-CG 3.23Å; W64-L68 PolarHBondContact O-N 3.16Å; C65-L68 CarbonylContact O-C 3.49Å; C65-L68 WeakPolarHBondContact O-CA 3.38Å; C65-L68 PolarHBondContact O-N 3.49Å; C65-L68 VanDerWaalsContact O-N 3.11Å; L66-L68 PolarHBondContact O-N 2.96Å; L68-I70 VanDerWaalsContact C-N 3.33Å; L68-I70 HydrophobicContact CB-CD1 3.86Å; L68-I70 HydrophobicContact CB-CG1 4.19Å; L68-I70 HydrophobicContact CD1-CD1 4.22Å; L68-F237 HydrophobicContact CD1-CE2 4.04Å; L68-F237 HydrophobicContact CD2-CE2 4.23Å; L68-F237 HydrophobicContact CD2-CZ 4.27Å; L68-F237 HydrophobicContact CG-CE2 4.24Å; L68-L240 HydrophobicContact CD1-CD2 3.8Å; L68-L240 HydrophobicContact CD1-CG 4.21Å; L68-I244 HydrophobicContact CD1-CD1 3.69Å
69	G	93.9	Very high	95.5	Very high	43 Å²	43	23.6 Å²	23.6	44%	0.443	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.5	16.8	-177.7	0	0	0	0	0	114	C65 L66 N67	C65-G69 PolarHBondContact O-N 3.14Å; C65-G69 VanDerWaalsContact O-N 3.12Å; L66-G69 PolarHBondContact O-N 3Å; N67-G69 VanDerWaalsContact C-N 3.32Å
70	I	96.9	Very high	95.6	Very high	3 Å²	3	24.5 Å²	24.5	2%	0.015	14%	0.138	C	C	.	.			trans	-87	108.9	174.9	-57.2	159.1	0	0	0	106.8	V25 P26 I29 C65 L68 I244	V25-I70 HydrophobicContact CG1-CG1 4.09Å; P26-I70 HydrophobicContact CG-CD1 4.21Å; P26-I70 HydrophobicContact CG-CG1 4.28Å; P26-I70 WeakPolarHBondContact O-CG1 3.31Å; I29-I70 HydrophobicContact CD1-CD1 3.66Å; I29-I70 HydrophobicContact CD1-CG2 4.26Å; I29-I70 HydrophobicContact CG1-CG2 4.07Å; C65-I70 CarbonylContact C-O 3.51Å; C65-I70 HydrophobicContact CB-CB 4.01Å; C65-I70 HydrophobicContact CB-CG2 4.31Å; C65-I70 WeakPolarHBondContact O-CB 3.31Å; C65-I70 PolarHBondContact O-N 3.42Å; L68-I70 VanDerWaalsContact C-N 3.33Å; L68-I70 HydrophobicContact CB-CD1 3.86Å; L68-I70 HydrophobicContact CB-CG1 4.19Å; L68-I70 HydrophobicContact CD1-CD1 4.22Å; I70-I244 HydrophobicContact CD1-CD1 3.91Å
71	L	95.6	Very high	95.5	Very high	87 Å²	87	26.6 Å²	26.6	46%	0.455	15%	0.148	S	C	.	.			trans	-89.5	-17.4	-168	-55.3	-177	0	0	0	113.2	C148 F149	L71-C148 CarbonylContact O-C 3.5Å; L71-C148 VanDerWaalsContact O-CA 3.27Å; L71-C148 WeakPolarHBondContact O-CA 3.26Å; L71-F149 PolarHBondContact O-N 3.01Å
72	E	98.4	Very high	95.3	Very high	14 Å²	14	28 Å²	28	7%	0.065	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	132.1	-177.2	-172.8	156.2	-161.1	0	0	112.8	K27 H28 I29 R119 F149 N151 S197 P198	K27-E72 PolarHBondContact O-N 3.39Å; H28-E72 WeakPolarHBondContact CA-O 3.5Å; H28-E72 HydrophobicContact CB-CB 4.17Å; H28-E72 HydrophobicContact CB-CG 4.41Å; H28-E72 PolarHBondContact CD2-O 3.19Å; I29-E72 PolarHBondContact N-O 3.36Å; I29-E72 VanDerWaalsContact N-O 3.11Å; E72-R119 IonicContact OE1-NH1 2.66Å; E72-F149 WeakPolarHBondContact CA-O 3.48Å; E72-F149 HydrophobicContact CB-CB 4.12Å; E72-F149 HydrophobicContact CG-CB 3.78Å; E72-N151 PolarHBondContact OE1-ND2 2.85Å; E72-S197 WeakPolarHBondContact OE1-CB 3.27Å; E72-S197 PolarHBondContact OE1-OG 3.47Å; E72-P198 VanDerWaalsContact OE2-CD 3.24Å; E72-P198 WeakPolarHBondContact OE2-CD 3.38Å
73	V	98.5	Very high	95.3	Very high	5 Å²	5	29.8 Å²	29.8	3%	0.03	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	130.1	179	179.2	0	0	0	0	110.2	I29 F31 L62 C65 V75 F149 L150 N151	I29-V73 CarbonylContact O-C 3.55Å; I29-V73 VanDerWaalsContact O-CA 3.27Å; I29-V73 WeakPolarHBondContact O-CA 3.46Å; F31-V73 HydrophobicContact CD2-CG1 3.7Å; F31-V73 HydrophobicContact CE2-CG1 3.76Å; L62-V73 HydrophobicContact CD2-CB 3.63Å; L62-V73 HydrophobicContact CD2-CG1 3.68Å; L62-V73 HydrophobicContact CD2-CG2 3.88Å; C65-V73 HydrophobicContact CB-CG2 3.88Å; V73-V75 HydrophobicContact CG1-CG1 3.82Å; V73-F149 PolarHBondContact N-O 2.94Å; V73-L150 HydrophobicContact CB-CD1 4.43Å; V73-L150 HydrophobicContact CG1-CD1 4.45Å; V73-L150 CarbonylContact O-C 3.29Å; V73-L150 WeakPolarHBondContact O-CA 3.41Å; V73-N151 PolarHBondContact O-N 3.39Å
74	T	98.8	Very high	95.3	Very high	3 Å²	3	34.6 Å²	34.6	2%	0.018	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	133.2	171.8	-59.8	0	0	0	0	110.3	H28 I29 A30 F31 N151 F215 L216	H28-T74 PolarHBondContact CE1-OG1 3.04Å; H28-T74 VanDerWaalsContact CE1-OG1 3.26Å; H28-T74 WeakPolarHBondContact NE2-CB 3.48Å; H28-T74 PolarHBondContact NE2-OG1 2.85Å; I29-T74 PolarHBondContact O-N 3.24Å; A30-T74 CarbonylContact C-O 3.57Å; A30-T74 WeakPolarHBondContact CA-O 3.46Å; F31-T74 PolarHBondContact N-O 3.04Å; T74-N151 CarbonylContact C-O 3.6Å; T74-N151 VanDerWaalsContact CA-O 3.29Å; T74-N151 WeakPolarHBondContact CA-O 3.49Å; T74-N151 HydrophobicContact CG2-CB 3.87Å; T74-N151 WeakPolarHBondContact OG1-CB 3.49Å; T74-N151 PolarHBondContact OG1-ND2 3.22Å; T74-F215 HydrophobicContact CG2-CZ 4.06Å; T74-L216 HydrophobicContact CG2-CD1 3.91Å
75	V	98.6	Very high	95.1	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	138.6	-177.7	-60.2	0	0	0	0	112.5	F31 M33 L58 V73 A77 L150 N151 V152 C153	F31-V75 HydrophobicContact CB-CG1 4.16Å; F31-V75 HydrophobicContact CD2-CG1 4.27Å; F31-V75 WeakPolarHBondContact O-CA 3.45Å; M33-V75 HydrophobicContact CE-CB 3.81Å; M33-V75 HydrophobicContact CE-CG2 4.02Å; M33-V75 HydrophobicContact SD-CB 3.96Å; M33-V75 HydrophobicContact SD-CG1 4.2Å; L58-V75 HydrophobicContact CD1-CB 4.29Å; L58-V75 HydrophobicContact CD1-CG1 3.53Å; L58-V75 HydrophobicContact CD1-CG2 4.18Å; L58-V75 HydrophobicContact CD2-CG2 4.19Å; V73-V75 HydrophobicContact CG1-CG1 3.82Å; V75-A77 PolarHBondContact O-N 2.98Å; V75-L150 HydrophobicContact CG1-CD1 4.5Å; V75-L150 HydrophobicContact CG2-CD1 4.27Å; V75-N151 PolarHBondContact N-O 3.3Å; V75-V152 HydrophobicContact CG2-CG1 4.42Å; V75-V152 HydrophobicContact CG2-CG2 4.28Å; V75-C153 WeakPolarHBondContact O-CB 3.5Å; V75-C153 PolarHBondContact O-N 3.42Å
76	Y	98.1	Very high	94.9	Very high	20 Å²	20	40.5 Å²	40.5	8%	0.078	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	94.9	175.4	-156.2	179.3	0	0	0	110.4	F31 I32 S79 C153 Y156 F215	F31-Y76 PolarHBondContact O-N 3.5Å; I32-Y76 HydrophobicContact CG1-CD1 4.43Å; I32-Y76 HydrophobicContact CG2-CD1 4.44Å; Y76-S79 VanDerWaalsContact OH-CB 3.23Å; Y76-S79 WeakPolarHBondContact OH-CB 3.38Å; Y76-S79 PolarHBondContact OH-OG 2.93Å; Y76-C153 HydrophobicContact CD2-CB 4.12Å; Y76-Y156 HydrophobicContact CD2-CD1 4.4Å; Y76-Y156 AromaticContact CE2-CD1 3.81Å; Y76-Y156 HydrophobicContact CE2-CD1 3.81Å; Y76-Y156 WeakPolarHBondContact CE2-O 3.3Å; Y76-Y156 PolarHBondContact OH-O 2.94Å; Y76-F215 VanDerWaalsContact CB-CE2 3.49Å; Y76-F215 HydrophobicContact CD1-CB 3.58Å; Y76-F215 HydrophobicContact CD1-CD1 4.23Å; Y76-F215 AromaticContact CD1-CD2 3.32Å; Y76-F215 HydrophobicContact CD1-CD2 3.32Å; Y76-F215 HydrophobicContact CD1-CE2 4.02Å; Y76-F215 AromaticContact CD1-CG 3.45Å; Y76-F215 HydrophobicContact CD1-CG 3.45Å; Y76-F215 VanDerWaalsContact CD1-CG 3.45Å; Y76-F215 AromaticContact CD2-CD2 3.83Å; Y76-F215 HydrophobicContact CD2-CD2 3.83Å; Y76-F215 HydrophobicContact CD2-CE2 4Å; Y76-F215 HydrophobicContact CE1-CB 3.55Å; Y76-F215 AromaticContact CE1-CD2 3.72Å; Y76-F215 HydrophobicContact CE1-CD2 3.72Å; Y76-F215 AromaticContact CE1-CG 3.88Å; Y76-F215 HydrophobicContact CE1-CG 3.88Å; Y76-F215 HydrophobicContact CE2-CD2 4.18Å; Y76-F215 HydrophobicContact CG-CB 4.49Å; Y76-F215 AromaticContact CG-CD2 3.36Å; Y76-F215 HydrophobicContact CG-CD2 3.36Å; Y76-F215 AromaticContact CG-CE2 3.59Å; Y76-F215 HydrophobicContact CG-CE2 3.59Å; Y76-F215 AromaticContact CG-CG 3.92Å; Y76-F215 HydrophobicContact CG-CG 3.92Å; Y76-F215 HydrophobicContact CG-CZ 4.28Å
77	A	95	Very high	94.9	Very high	40 Å²	40	45 Å²	45	33%	0.331	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	-44.2	-175.2	0	0	0	0	0	112.7	M33 V75 V152 C153 F154	M33-A77 HydrophobicContact CE-CB 4.28Å; V75-A77 PolarHBondContact O-N 2.98Å; A77-V152 HydrophobicContact CB-CG1 3.66Å; A77-C153 PolarHBondContact N-O 3.17Å; A77-F154 HydrophobicContact CB-CD2 3.86Å; A77-F154 HydrophobicContact CB-CE2 4.38Å
78	F	95	Very high	94.9	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.009	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	121.2	-178.4	-167.2	-93.1	0	0	0	111.5	N82 F83 V90 L93 C153 F154 A155 Y156	F78-N82 HydrophobicContact CD2-CB 4.12Å; F78-N82 HydrophobicContact CE1-CB 4.14Å; F78-N82 HydrophobicContact CE2-CB 3.72Å; F78-N82 HydrophobicContact CZ-CB 3.73Å; F78-F83 HydrophobicContact CD1-CE2 4.49Å; F78-F83 HydrophobicContact CD1-CZ 4.49Å; F78-F83 HydrophobicContact CE1-CD1 4.03Å; F78-F83 AromaticContact CE1-CD2 3.99Å; F78-F83 HydrophobicContact CE1-CD2 3.99Å; F78-F83 AromaticContact CE1-CE1 3.82Å; F78-F83 HydrophobicContact CE1-CE1 3.82Å; F78-F83 AromaticContact CE1-CE2 3.77Å; F78-F83 HydrophobicContact CE1-CE2 3.77Å; F78-F83 HydrophobicContact CE1-CG 4.11Å; F78-F83 AromaticContact CE1-CZ 3.69Å; F78-F83 HydrophobicContact CE1-CZ 3.69Å; F78-F83 HydrophobicContact CZ-CD1 4.16Å; F78-F83 HydrophobicContact CZ-CE1 4.2Å; F78-F83 HydrophobicContact CZ-CG 4.44Å; F78-V90 HydrophobicContact CZ-CG1 4.35Å; F78-L93 HydrophobicContact CD2-CB 4.28Å; F78-L93 HydrophobicContact CD2-CD1 4.03Å; F78-L93 HydrophobicContact CE2-CB 4.05Å; F78-L93 HydrophobicContact CE2-CD1 3.69Å; F78-C153 PolarHBondContact N-O 3.42Å; F78-F154 HydrophobicContact CB-CD1 3.85Å; F78-F154 HydrophobicContact CB-CD2 3.82Å; F78-F154 HydrophobicContact CB-CE1 3.76Å; F78-F154 HydrophobicContact CB-CE2 3.74Å; F78-F154 HydrophobicContact CB-CG 3.88Å; F78-F154 HydrophobicContact CB-CZ 3.7Å; F78-F154 HydrophobicContact CD1-CD1 4.37Å; F78-F154 HydrophobicContact CD1-CE1 4.09Å; F78-F154 HydrophobicContact CD2-CZ 4.41Å; F78-F154 HydrophobicContact CG-CD1 4.35Å; F78-F154 AromaticContact CG-CE1 3.93Å; F78-F154 HydrophobicContact CG-CE1 3.93Å; F78-F154 HydrophobicContact CG-CZ 4.02Å; F78-F154 CarbonylContact O-C 3.54Å; F78-A155 PolarHBondContact O-N 3.44Å; F78-Y156 PolarHBondContact O-N 2.86Å; F78-Y156 VanDerWaalsContact O-N 3.16Å
79	S	96.1	Very high	94.5	Very high	10 Å²	10	47.8 Å²	47.8	7%	0.07	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	150.9	177.4	-177.3	0	0	0	0	111.9	Y76 E81 N82 Y156	Y76-S79 VanDerWaalsContact OH-CB 3.23Å; Y76-S79 WeakPolarHBondContact OH-CB 3.38Å; Y76-S79 PolarHBondContact OH-OG 2.93Å; S79-E81 PolarHBondContact O-N 3.29Å; S79-E81 PolarHBondContact OG-N 3.37Å; S79-N82 PolarHBondContact N-OD1 2.81Å; S79-N82 WeakPolarHBondContact O-CA 3.27Å; S79-N82 VanDerWaalsContact O-CB 3.24Å; S79-N82 WeakPolarHBondContact O-CB 3.49Å; S79-N82 PolarHBondContact O-N 3.42Å; S79-Y156 VanDerWaalsContact CA-O 3.31Å; S79-Y156 WeakPolarHBondContact CA-O 3.45Å; S79-Y156 PolarHBondContact OG-O 3.27Å
80	I	95.1	Very high	94.5	Very high	21 Å²	21	46.3 Å²	46.3	11%	0.108	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-55.5	-36.1	168.8	-59.2	175.5	0	0	0	110.6	N82 F83 D123 L126 A155 Y156 T157 H160	I80-N82 PolarHBondContact O-N 3.02Å; I80-N82 VanDerWaalsContact O-N 3.1Å; I80-F83 HydrophobicContact CG2-CD2 4.36Å; I80-F83 WeakPolarHBondContact O-CB 3.47Å; I80-F83 VanDerWaalsContact O-CD2 3.3Å; I80-F83 WeakPolarHBondContact O-CD2 3.47Å; I80-F83 PolarHBondContact O-N 3.09Å; I80-F83 VanDerWaalsContact O-N 3.12Å; I80-D123 HydrophobicContact CD1-CB 4.28Å; I80-L126 HydrophobicContact CD1-CD1 4.18Å; I80-L126 HydrophobicContact CG1-CD1 4.14Å; I80-L126 HydrophobicContact CG2-CD1 4.17Å; I80-A155 VanDerWaalsContact CG1-C 3.46Å; I80-A155 VanDerWaalsContact CG1-O 3.25Å; I80-A155 WeakPolarHBondContact CG1-O 3.45Å; I80-Y156 PolarHBondContact N-O 3.44Å; I80-T157 HydrophobicContact CB-CG2 3.91Å; I80-T157 HydrophobicContact CD1-CG2 4.31Å; I80-T157 HydrophobicContact CG1-CG2 4.18Å; I80-H160 HydrophobicContact CD1-CB 3.86Å; I80-H160 VanDerWaalsContact CD1-CG 3.45Å
81	E	92.5	Very high	94.3	Very high	91 Å²	91	49.3 Å²	49.3	43%	0.425	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-62.9	-18.5	175.8	-67.6	-64.2	134.9	0	0	113.1	S79 F83 K84	S79-E81 PolarHBondContact O-N 3.29Å; S79-E81 PolarHBondContact OG-N 3.37Å; E81-F83 VanDerWaalsContact C-N 3.3Å; E81-F83 PolarHBondContact O-N 2.92Å; E81-K84 WeakPolarHBondContact O-CB 3.32Å; E81-K84 PolarHBondContact O-N 3.24Å; E81-K84 IonicContact OE1-NZ 2.69Å; E81-K84 PolarHBondContact OE1-NZ 3.12Å; E81-K84 WeakPolarHBondContact OE2-CD 3.4Å; E81-K84 WeakPolarHBondContact OE2-CE 3.03Å; E81-K84 IonicContact OE2-NZ 3.76Å; E81-K84 PolarHBondContact OE2-NZ 3.46Å
82	N	91.6	Very high	94.1	Very high	31 Å²	31	45.8 Å²	45.8	17%	0.166	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-76.6	-15.9	178.1	-58.4	163.3	0	0	0	113.2	F78 S79 I80 K84 R85 V90	F78-N82 HydrophobicContact CD2-CB 4.12Å; F78-N82 HydrophobicContact CE1-CB 4.14Å; F78-N82 HydrophobicContact CE2-CB 3.72Å; F78-N82 HydrophobicContact CZ-CB 3.73Å; S79-N82 PolarHBondContact N-OD1 2.81Å; S79-N82 WeakPolarHBondContact O-CA 3.27Å; S79-N82 VanDerWaalsContact O-CB 3.24Å; S79-N82 WeakPolarHBondContact O-CB 3.49Å; S79-N82 PolarHBondContact O-N 3.42Å; I80-N82 PolarHBondContact O-N 3.02Å; I80-N82 VanDerWaalsContact O-N 3.1Å; N82-K84 PolarHBondContact O-N 3.17Å; N82-R85 VanDerWaalsContact CG-NH2 3.27Å; N82-R85 PolarHBondContact ND2-NH2 3.33Å; N82-R85 WeakPolarHBondContact O-CB 2.88Å; N82-R85 VanDerWaalsContact O-CG 3.3Å; N82-R85 WeakPolarHBondContact O-CG 3.18Å; N82-R85 PolarHBondContact O-N 2.94Å; N82-R85 VanDerWaalsContact O-N 3.17Å; N82-R85 PolarHBondContact OD1-NH2 3.35Å; N82-V90 WeakPolarHBondContact O-CG2 3.48Å
83	F	92.9	Very high	93.7	Very high	68 Å²	68	45.9 Å²	45.9	30%	0.298	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-63.3	-21.1	169.6	-71.9	-66.8	0	0	0	113	F78 I80 E81 R85 V90 L126 L127 A155	F78-F83 HydrophobicContact CD1-CE2 4.49Å; F78-F83 HydrophobicContact CD1-CZ 4.49Å; F78-F83 HydrophobicContact CE1-CD1 4.03Å; F78-F83 AromaticContact CE1-CD2 3.99Å; F78-F83 HydrophobicContact CE1-CD2 3.99Å; F78-F83 AromaticContact CE1-CE1 3.82Å; F78-F83 HydrophobicContact CE1-CE1 3.82Å; F78-F83 AromaticContact CE1-CE2 3.77Å; F78-F83 HydrophobicContact CE1-CE2 3.77Å; F78-F83 HydrophobicContact CE1-CG 4.11Å; F78-F83 AromaticContact CE1-CZ 3.69Å; F78-F83 HydrophobicContact CE1-CZ 3.69Å; F78-F83 HydrophobicContact CZ-CD1 4.16Å; F78-F83 HydrophobicContact CZ-CE1 4.2Å; F78-F83 HydrophobicContact CZ-CG 4.44Å; I80-F83 HydrophobicContact CG2-CD2 4.36Å; I80-F83 WeakPolarHBondContact O-CB 3.47Å; I80-F83 VanDerWaalsContact O-CD2 3.3Å; I80-F83 WeakPolarHBondContact O-CD2 3.47Å; I80-F83 PolarHBondContact O-N 3.09Å; I80-F83 VanDerWaalsContact O-N 3.12Å; E81-F83 VanDerWaalsContact C-N 3.3Å; E81-F83 PolarHBondContact O-N 2.92Å; F83-R85 PolarHBondContact O-N 3.43Å; F83-V90 HydrophobicContact CD1-CG1 4.15Å; F83-L126 HydrophobicContact CE2-CB 4.04Å; F83-L126 HydrophobicContact CE2-CD1 4.25Å; F83-L126 HydrophobicContact CZ-CB 4.13Å; F83-L127 HydrophobicContact CZ-CD2 4.12Å; F83-A155 HydrophobicContact CE2-CB 4.07Å; F83-A155 HydrophobicContact CZ-CB 4.32Å
84	K	92	Very high	93.5	Very high	157 Å²	157	46.1 Å²	46.1	68%	0.683	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-75	-3.4	176.7	-60	175.8	-176.6	168.5	0	113.6	E81 N82	E81-K84 WeakPolarHBondContact O-CB 3.32Å; E81-K84 PolarHBondContact O-N 3.24Å; E81-K84 IonicContact OE1-NZ 2.69Å; E81-K84 PolarHBondContact OE1-NZ 3.12Å; E81-K84 WeakPolarHBondContact OE2-CD 3.4Å; E81-K84 WeakPolarHBondContact OE2-CE 3.03Å; E81-K84 IonicContact OE2-NZ 3.76Å; E81-K84 PolarHBondContact OE2-NZ 3.46Å; N82-K84 PolarHBondContact O-N 3.17Å
85	R	92.4	Very high	93.3	Very high	68 Å²	68	50 Å²	50	26%	0.257	26%	0.261	S	S	.	.	S	Bend	trans	-77.1	174.1	177.7	-60.9	-171.8	-169.1	172.7	11.6	110.9	N82 F83 E89 V90	N82-R85 VanDerWaalsContact CG-NH2 3.27Å; N82-R85 PolarHBondContact ND2-NH2 3.33Å; N82-R85 WeakPolarHBondContact O-CB 2.88Å; N82-R85 VanDerWaalsContact O-CG 3.3Å; N82-R85 WeakPolarHBondContact O-CG 3.18Å; N82-R85 PolarHBondContact O-N 2.94Å; N82-R85 VanDerWaalsContact O-N 3.17Å; N82-R85 PolarHBondContact OD1-NH2 3.35Å; F83-R85 PolarHBondContact O-N 3.43Å; R85-E89 WeakPolarHBondContact CD-OE1 3.37Å; R85-E89 IonicContact CZ-OE1 3.66Å; R85-E89 IonicContact NE-OE1 3.61Å; R85-E89 IonicContact NH1-OE1 3.96Å; R85-E89 PolarHBondContact NH1-OE1 3.45Å; R85-V90 HydrophobicContact CB-CG2 4.1Å
86	S	92.4	Very high	93	Very high	66 Å²	66	50.8 Å²	50.8	46%	0.462	27%	0.266	S	S	.	.			trans	-60.9	142.6	177	57.2	0	0	0	0	110.7	S88 E89 V90	S86-S88 VanDerWaalsContact C-N 3.26Å; S86-S88 PolarHBondContact O-N 2.87Å; S86-E89 PolarHBondContact O-N 3.13Å; S86-V90 PolarHBondContact O-N 3.27Å
87	K	92.4	Very high	92.8	Very high	159 Å²	159	50.2 Å²	50.2	69%	0.691	27%	0.265	S	S	*	.	H	α-helix	trans	-50.7	-45.5	-179.6	-177	175.6	179.4	-177.2	0	112.5	E89 V90 D91	K87-E89 VanDerWaalsContact C-N 3.3Å; K87-E89 PolarHBondContact O-N 2.97Å; K87-V90 PolarHBondContact O-N 3.18Å; K87-D91 WeakPolarHBondContact CE-OD2 3.36Å; K87-D91 VanDerWaalsContact CG-OD2 3.31Å; K87-D91 WeakPolarHBondContact CG-OD2 3.45Å; K87-D91 WeakPolarHBondContact O-CB 3.32Å; K87-D91 PolarHBondContact O-N 3.32Å
88	S	90.9	Very high	92.7	Very high	100 Å²	100	50.9 Å²	50.9	70%	0.699	26%	0.259	S	S	*	.	H	α-helix	trans	-58.5	-35.5	176.4	164.4	0	0	0	0	114	S86 G92	S86-S88 VanDerWaalsContact C-N 3.26Å; S86-S88 PolarHBondContact O-N 2.87Å; S88-G92 PolarHBondContact O-N 2.77Å; S88-G92 VanDerWaalsContact O-N 3.16Å
89	E	88.1	Confident	92.6	Very high	15 Å²	15	56 Å²	56	7%	0.07	28%	0.283	C	S	.	.	H	α-helix	trans	-76.5	-38.1	177.6	-172.1	174	143.4	0	0	111.2	R37 R47 R85 S86 K87 L93	R37-E89 WeakPolarHBondContact CD-OE1 3.35Å; R37-E89 IonicContact CZ-OE1 3.04Å; R37-E89 IonicContact NE-OE1 3.19Å; R37-E89 IonicContact NH1-OE1 2.66Å; R37-E89 PolarHBondContact NH1-OE1 3.29Å; R37-E89 IonicContact NH1-OE2 3.92Å; R47-E89 IonicContact CZ-OE2 3.98Å; R47-E89 IonicContact NH1-OE2 2.96Å; R47-E89 PolarHBondContact NH1-OE2 2.75Å; R85-E89 WeakPolarHBondContact CD-OE1 3.37Å; R85-E89 IonicContact CZ-OE1 3.66Å; R85-E89 IonicContact NE-OE1 3.61Å; R85-E89 IonicContact NH1-OE1 3.96Å; R85-E89 PolarHBondContact NH1-OE1 3.45Å; S86-E89 PolarHBondContact O-N 3.13Å; K87-E89 VanDerWaalsContact C-N 3.3Å; K87-E89 PolarHBondContact O-N 2.97Å; E89-L93 HydrophobicContact CG-CD1 4.43Å; E89-L93 VanDerWaalsContact O-CG 3.31Å; E89-L93 WeakPolarHBondContact O-CG 3.43Å; E89-L93 PolarHBondContact O-N 3.45Å; E89-L93 VanDerWaalsContact O-N 3.09Å
90	V	92.6	Very high	92.3	Very high	13 Å²	13	56 Å²	56	8%	0.079	28%	0.282	C	S	.	.	H	α-helix	trans	-65.7	-49.2	175.9	176.5	0	0	0	0	110.5	F78 N82 F83 R85 S86 K87 G92 L93 L94	F78-V90 HydrophobicContact CZ-CG1 4.35Å; N82-V90 WeakPolarHBondContact O-CG2 3.48Å; F83-V90 HydrophobicContact CD1-CG1 4.15Å; R85-V90 HydrophobicContact CB-CG2 4.1Å; S86-V90 PolarHBondContact O-N 3.27Å; K87-V90 PolarHBondContact O-N 3.18Å; V90-G92 VanDerWaalsContact C-N 3.32Å; V90-G92 PolarHBondContact O-N 3.16Å; V90-L93 PolarHBondContact O-N 2.66Å; V90-L93 VanDerWaalsContact O-N 3.11Å; V90-L94 HydrophobicContact CG1-CD1 3.92Å; V90-L94 HydrophobicContact CG1-CG 4.29Å; V90-L94 WeakPolarHBondContact O-CG 3.36Å; V90-L94 PolarHBondContact O-N 2.8Å
91	D	92.2	Very high	92.2	Very high	66 Å²	66	55.2 Å²	55.2	35%	0.353	28%	0.278	S	S	.	.	H	α-helix	trans	-57.8	-45.8	178.4	-67.9	-13.8	0	0	0	110.3	K87 L93 L94 D95	K87-D91 WeakPolarHBondContact CE-OD2 3.36Å; K87-D91 VanDerWaalsContact CG-OD2 3.31Å; K87-D91 WeakPolarHBondContact CG-OD2 3.45Å; K87-D91 WeakPolarHBondContact O-CB 3.32Å; K87-D91 PolarHBondContact O-N 3.32Å; D91-L93 VanDerWaalsContact C-N 3.34Å; D91-L93 PolarHBondContact O-N 2.79Å; D91-L94 PolarHBondContact O-N 2.6Å; D91-D95 WeakPolarHBondContact O-CB 3.36Å; D91-D95 VanDerWaalsContact O-CG 3.26Å; D91-D95 PolarHBondContact O-N 2.79Å
92	G	91.4	Very high	92	Very high	12 Å²	12	52.6 Å²	52.6	12%	0.124	27%	0.269	C	S	.	.	H	α-helix	trans	-61.4	-36.5	175.8	0	0	0	0	0	114.2	Q48 S88 V90 L96	Q48-G92 PolarHBondContact NE2-O 3.48Å; Q48-G92 PolarHBondContact OE1-O 2.99Å; S88-G92 PolarHBondContact O-N 2.77Å; S88-G92 VanDerWaalsContact O-N 3.16Å; V90-G92 VanDerWaalsContact C-N 3.32Å; V90-G92 PolarHBondContact O-N 3.16Å; G92-L96 WeakPolarHBondContact O-CB 3.39Å; G92-L96 PolarHBondContact O-N 2.8Å
93	L	91.8	Very high	91.8	Very high	17 Å²	17	52 Å²	52	9%	0.089	27%	0.268	C	S	.	.	H	α-helix	trans	-70.6	-39.7	175.2	-74.7	168.7	0	0	0	112.3	H51 F78 E89 V90 D91 L96 A97	H51-L93 HydrophobicContact CB-CD2 4.2Å; F78-L93 HydrophobicContact CD2-CB 4.28Å; F78-L93 HydrophobicContact CD2-CD1 4.03Å; F78-L93 HydrophobicContact CE2-CB 4.05Å; F78-L93 HydrophobicContact CE2-CD1 3.69Å; E89-L93 HydrophobicContact CG-CD1 4.43Å; E89-L93 VanDerWaalsContact O-CG 3.31Å; E89-L93 WeakPolarHBondContact O-CG 3.43Å; E89-L93 PolarHBondContact O-N 3.45Å; E89-L93 VanDerWaalsContact O-N 3.09Å; V90-L93 PolarHBondContact O-N 2.66Å; V90-L93 VanDerWaalsContact O-N 3.11Å; D91-L93 VanDerWaalsContact C-N 3.34Å; D91-L93 PolarHBondContact O-N 2.79Å; L93-L96 PolarHBondContact O-N 2.67Å; L93-A97 PolarHBondContact O-N 3.05Å
94	L	94.1	Very high	91.5	Very high	9 Å²	9	48.8 Å²	48.8	5%	0.047	25%	0.253	C	S	.	.	H	α-helix	trans	-68	-39.8	176	-64.8	176.3	0	0	0	111	V90 D91 A97 R98 L127 P128 L131 F154	V90-L94 HydrophobicContact CG1-CD1 3.92Å; V90-L94 HydrophobicContact CG1-CG 4.29Å; V90-L94 WeakPolarHBondContact O-CG 3.36Å; V90-L94 PolarHBondContact O-N 2.8Å; D91-L94 PolarHBondContact O-N 2.6Å; L94-A97 WeakPolarHBondContact O-CB 3.45Å; L94-A97 PolarHBondContact O-N 2.72Å; L94-R98 WeakPolarHBondContact O-CG 3.42Å; L94-R98 PolarHBondContact O-N 3.18Å; L94-L127 HydrophobicContact CD2-CD2 3.93Å; L94-P128 HydrophobicContact CD1-CG 3.99Å; L94-L131 HydrophobicContact CD2-CD2 3.81Å; L94-F154 HydrophobicContact CD2-CE1 4.07Å; L94-F154 HydrophobicContact CD2-CZ 4.38Å
95	D	94.2	Very high	91.1	Very high	84 Å²	84	43.4 Å²	43.4	45%	0.449	23%	0.231	S	C	.	.	H	α-helix	trans	-63.9	-41	173.8	-72.2	-23.2	0	0	0	112.1	D91 A97 R98 Q99	D91-D95 WeakPolarHBondContact O-CB 3.36Å; D91-D95 VanDerWaalsContact O-CG 3.26Å; D91-D95 PolarHBondContact O-N 2.79Å; D95-A97 VanDerWaalsContact C-N 3.32Å; D95-A97 PolarHBondContact O-N 3.29Å; D95-R98 WeakPolarHBondContact O-CB 3.49Å; D95-R98 PolarHBondContact O-N 3.35Å; D95-R98 IonicContact OD1-CZ 3.74Å; D95-R98 IonicContact OD1-NH1 2.68Å; D95-R98 PolarHBondContact OD1-NH1 2.81Å; D95-Q99 WeakPolarHBondContact O-CB 3.44Å; D95-Q99 PolarHBondContact O-N 3.03Å
96	L	91.6	Very high	90.9	Very high	17 Å²	17	47.6 Å²	47.6	9%	0.089	25%	0.254	C	S	.	.	H	α-helix	trans	-59.8	-45.5	172.1	-175.7	63.3	0	0	0	110.5	H51 G92 L93 Q99 K100	H51-L96 HydrophobicContact CB-CD2 3.87Å; G92-L96 WeakPolarHBondContact O-CB 3.39Å; G92-L96 PolarHBondContact O-N 2.8Å; L93-L96 PolarHBondContact O-N 2.67Å; L96-Q99 PolarHBondContact O-N 3.27Å; L96-K100 HydrophobicContact CD1-CG 4.29Å; L96-K100 HydrophobicContact CG-CG 4.42Å; L96-K100 VanDerWaalsContact O-CG 3.28Å; L96-K100 WeakPolarHBondContact O-CG 3.15Å; L96-K100 PolarHBondContact O-N 2.91Å
97	A	93.4	Very high	90.6	Very high	8 Å²	8	46 Å²	46	7%	0.066	24%	0.239	C	C	.	.	H	α-helix	trans	-60.3	-47.2	177.1	0	0	0	0	0	111.7	L93 L94 D95 Q99 K100 F101 L131 F154	L93-A97 PolarHBondContact O-N 3.05Å; L94-A97 WeakPolarHBondContact O-CB 3.45Å; L94-A97 PolarHBondContact O-N 2.72Å; D95-A97 VanDerWaalsContact C-N 3.32Å; D95-A97 PolarHBondContact O-N 3.29Å; A97-Q99 VanDerWaalsContact C-N 3.32Å; A97-Q99 PolarHBondContact O-N 2.98Å; A97-K100 PolarHBondContact O-N 3.06Å; A97-F101 HydrophobicContact CB-CD2 4.38Å; A97-F101 HydrophobicContact CB-CE2 4.42Å; A97-F101 WeakPolarHBondContact O-CD2 3.44Å; A97-F101 PolarHBondContact O-N 2.75Å; A97-L131 HydrophobicContact CB-CD1 4.06Å; A97-L131 HydrophobicContact CB-CD2 4.13Å; A97-F154 HydrophobicContact CB-CE2 3.83Å; A97-F154 HydrophobicContact CB-CZ 3.65Å
98	R	93.9	Very high	90.2	Very high	55 Å²	55	42.5 Å²	42.5	21%	0.208	23%	0.225	C	C	.	.	H	α-helix	trans	-53.9	-48.4	174.9	-72.1	171.4	179.2	118.6	2.1	111.7	L94 D95 S102 D130 L131	L94-R98 WeakPolarHBondContact O-CG 3.42Å; L94-R98 PolarHBondContact O-N 3.18Å; D95-R98 WeakPolarHBondContact O-CB 3.49Å; D95-R98 PolarHBondContact O-N 3.35Å; D95-R98 IonicContact OD1-CZ 3.74Å; D95-R98 IonicContact OD1-NH1 2.68Å; D95-R98 PolarHBondContact OD1-NH1 2.81Å; R98-S102 VanDerWaalsContact O-CB 3.31Å; R98-S102 WeakPolarHBondContact O-CB 3.34Å; R98-S102 PolarHBondContact O-N 3.28Å; R98-S102 PolarHBondContact O-OG 3.46Å; R98-D130 WeakPolarHBondContact CD-OD2 3.38Å; R98-D130 IonicContact CZ-OD1 3.91Å; R98-D130 IonicContact CZ-OD2 3.51Å; R98-D130 IonicContact NE-OD1 2.74Å; R98-D130 IonicContact NE-OD2 3.34Å; R98-D130 PolarHBondContact NE-OD2 3.02Å; R98-D130 IonicContact NH2-OD1 3.1Å; R98-D130 PolarHBondContact NH2-OD1 3.44Å; R98-D130 VanDerWaalsContact NH2-OD1 3.1Å; R98-D130 IonicContact NH2-OD2 3.45Å; R98-D130 PolarHBondContact NH2-OD2 3.38Å; R98-L131 HydrophobicContact CG-CD1 4.09Å
99	Q	92.7	Very high	89.9	Confident	110 Å²	110	45.7 Å²	45.7	51%	0.514	23%	0.229	S	C	.	.	H	α-helix	trans	-61.4	-47.8	178.9	-171.2	-170.7	16.3	0	0	110.8	D95 L96 A97 S102 C103	D95-Q99 WeakPolarHBondContact O-CB 3.44Å; D95-Q99 PolarHBondContact O-N 3.03Å; L96-Q99 PolarHBondContact O-N 3.27Å; A97-Q99 VanDerWaalsContact C-N 3.32Å; A97-Q99 PolarHBondContact O-N 2.98Å; Q99-S102 PolarHBondContact O-N 3.45Å; Q99-C103 PolarHBondContact O-N 2.86Å; Q99-C103 PolarHBondContact O-SG 2.91Å; Q99-C103 VanDerWaalsContact O-SG 3.34Å
100	K	91	Very high	89.9	Confident	9 Å²	9	49 Å²	49	4%	0.039	24%	0.243	C	C	.	.	H	α-helix	trans	-67.9	-42.3	-177.2	-63.4	-49.5	-177.9	174.2	0	112.7	W3 F55 L96 A97 S102 C103 L104	W3-K100 HydrophobicContact CZ2-CB 3.97Å; W3-K100 PolarHBondContact NE1-O 3.03Å; F55-K100 HydrophobicContact CD1-CD 3.64Å; F55-K100 HydrophobicContact CD1-CG 4.19Å; F55-K100 HydrophobicContact CD2-CB 4.38Å; F55-K100 HydrophobicContact CD2-CD 4.13Å; F55-K100 HydrophobicContact CD2-CG 3.73Å; F55-K100 HydrophobicContact CE1-CD 3.5Å; F55-K100 HydrophobicContact CE1-CG 4.11Å; F55-K100 HydrophobicContact CE2-CB 3.84Å; F55-K100 HydrophobicContact CE2-CD 4Å; F55-K100 HydrophobicContact CE2-CG 3.63Å; F55-K100 HydrophobicContact CG-CD 3.95Å; F55-K100 HydrophobicContact CG-CG 4Å; F55-K100 HydrophobicContact CZ-CB 4.03Å; F55-K100 HydrophobicContact CZ-CD 3.68Å; F55-K100 HydrophobicContact CZ-CG 3.83Å; L96-K100 HydrophobicContact CD1-CG 4.29Å; L96-K100 HydrophobicContact CG-CG 4.42Å; L96-K100 VanDerWaalsContact O-CG 3.28Å; L96-K100 WeakPolarHBondContact O-CG 3.15Å; L96-K100 PolarHBondContact O-N 2.91Å; A97-K100 PolarHBondContact O-N 3.06Å; K100-S102 VanDerWaalsContact C-N 3.31Å; K100-S102 PolarHBondContact O-N 3.01Å; K100-C103 PolarHBondContact O-N 2.76Å; K100-L104 WeakPolarHBondContact O-CB 3.45Å; K100-L104 PolarHBondContact O-N 3.22Å
101	F	91.3	Very high	89.6	Confident	5 Å²	5	48.4 Å²	48.4	2%	0.022	24%	0.239	C	C	.	.	H	α-helix	trans	-67	-32.8	175	-75.7	-66.7	0	0	0	112.1	W3 A97 L104 M105 V120 L131 K134 I135 A138	W3-F101 HydrophobicContact CH2-CE1 4.26Å; W3-F101 HydrophobicContact CZ2-CD1 4.41Å; W3-F101 HydrophobicContact CZ2-CE1 4.37Å; A97-F101 HydrophobicContact CB-CD2 4.38Å; A97-F101 HydrophobicContact CB-CE2 4.42Å; A97-F101 WeakPolarHBondContact O-CD2 3.44Å; A97-F101 PolarHBondContact O-N 2.75Å; F101-L104 HydrophobicContact CD1-CD1 4.34Å; F101-L104 VanDerWaalsContact O-CB 3.32Å; F101-L104 WeakPolarHBondContact O-CB 3.43Å; F101-L104 PolarHBondContact O-N 3.42Å; F101-M105 PolarHBondContact O-N 3.32Å; F101-V120 HydrophobicContact CE1-CG2 3.91Å; F101-V120 HydrophobicContact CZ-CG2 3.85Å; F101-L131 HydrophobicContact CD2-CD1 3.98Å; F101-K134 HydrophobicContact CB-CB 4.28Å; F101-I135 HydrophobicContact CD1-CG1 4.36Å; F101-I135 HydrophobicContact CD2-CG1 3.83Å; F101-I135 HydrophobicContact CE1-CG1 4.13Å; F101-I135 HydrophobicContact CE2-CD1 3.99Å; F101-I135 HydrophobicContact CE2-CG1 3.58Å; F101-I135 HydrophobicContact CG-CG1 4.23Å; F101-I135 HydrophobicContact CZ-CD1 4.36Å; F101-I135 HydrophobicContact CZ-CG1 3.75Å; F101-A138 HydrophobicContact CD1-CB 4.09Å
102	S	90	Very high	89.4	Confident	35 Å²	35	51.1 Å²	51.1	25%	0.245	25%	0.25	C	C	.	.	H	α-helix	trans	-67.7	-46.1	173.7	-54.8	0	0	0	0	111.4	R98 Q99 K100 L104 M105 E106 K134	R98-S102 VanDerWaalsContact O-CB 3.31Å; R98-S102 WeakPolarHBondContact O-CB 3.34Å; R98-S102 PolarHBondContact O-N 3.28Å; R98-S102 PolarHBondContact O-OG 3.46Å; Q99-S102 PolarHBondContact O-N 3.45Å; K100-S102 VanDerWaalsContact C-N 3.31Å; K100-S102 PolarHBondContact O-N 3.01Å; S102-L104 PolarHBondContact O-N 2.89Å; S102-M105 WeakPolarHBondContact O-CB 3.3Å; S102-M105 PolarHBondContact O-N 3.22Å; S102-M105 VanDerWaalsContact O-N 3.09Å; S102-E106 PolarHBondContact O-N 2.56Å; S102-K134 PolarHBondContact OG-NZ 2.76Å; S102-K134 VanDerWaalsContact OG-NZ 3.08Å
103	C	87.1	Confident	89.2	Confident	20 Å²	20	56.7 Å²	56.7	14%	0.135	27%	0.271	C	S	.	.	H	α-helix	trans	-61.3	-28.5	173.6	-68.9	0	0	0	0	113.1	Q99 K100 M105 E106 E107	Q99-C103 PolarHBondContact O-N 2.86Å; Q99-C103 PolarHBondContact O-SG 2.91Å; Q99-C103 VanDerWaalsContact O-SG 3.34Å; K100-C103 PolarHBondContact O-N 2.76Å; C103-M105 VanDerWaalsContact C-N 3.26Å; C103-M105 PolarHBondContact O-N 2.89Å; C103-E106 PolarHBondContact O-N 2.94Å; C103-E107 WeakPolarHBondContact O-CG 3.24Å; C103-E107 PolarHBondContact O-N 3.29Å
104	L	86.5	Confident	88.9	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-63.6	-36.5	176.8	-162.4	152.4	0	0	0	111	W3 K100 F101 S102 E107 L111 I118 A138	W3-L104 HydrophobicContact CD2-CD1 3.49Å; W3-L104 VanDerWaalsContact CD2-CD1 3.49Å; W3-L104 HydrophobicContact CD2-CG 4.26Å; W3-L104 HydrophobicContact CE3-CD1 3.89Å; W3-L104 HydrophobicContact CG-CB 4.49Å; W3-L104 HydrophobicContact CG-CD1 3.95Å; W3-L104 HydrophobicContact CG-CG 4.2Å; W3-L104 HydrophobicContact CH2-CD1 3.94Å; W3-L104 HydrophobicContact CZ2-CD1 3.55Å; W3-L104 HydrophobicContact CZ3-CD1 4.09Å; K100-L104 WeakPolarHBondContact O-CB 3.45Å; K100-L104 PolarHBondContact O-N 3.22Å; F101-L104 HydrophobicContact CD1-CD1 4.34Å; F101-L104 VanDerWaalsContact O-CB 3.32Å; F101-L104 WeakPolarHBondContact O-CB 3.43Å; F101-L104 PolarHBondContact O-N 3.42Å; S102-L104 PolarHBondContact O-N 2.89Å; L104-E107 PolarHBondContact O-N 2.95Å; L104-L111 HydrophobicContact CD2-CD1 3.35Å; L104-L111 HydrophobicContact CG-CD1 3.88Å; L104-L111 WeakPolarHBondContact O-CD1 3.23Å; L104-I118 HydrophobicContact CD1-CD1 3.23Å; L104-I118 HydrophobicContact CD2-CD1 3.91Å; L104-I118 HydrophobicContact CG-CD1 3.92Å; L104-A138 HydrophobicContact CD2-CB 4.06Å
105	M	82.6	Confident	88.7	Confident	44 Å²	44	57.5 Å²	57.5	22%	0.217	28%	0.275	C	S	.	.	H	α-helix	trans	-70.2	-33.4	176.8	-63.9	-62.2	92.9	0	0	112.9	F101 S102 C103 E107 H137 A138 A141	F101-M105 PolarHBondContact O-N 3.32Å; S102-M105 WeakPolarHBondContact O-CB 3.3Å; S102-M105 PolarHBondContact O-N 3.22Å; S102-M105 VanDerWaalsContact O-N 3.09Å; C103-M105 VanDerWaalsContact C-N 3.26Å; C103-M105 PolarHBondContact O-N 2.89Å; M105-E107 PolarHBondContact O-N 2.84Å; M105-H137 VanDerWaalsContact SD-CE1 3.52Å; M105-H137 PolarHBondContact SD-ND1 3.46Å; M105-A138 HydrophobicContact CE-CB 3.74Å; M105-A141 HydrophobicContact CE-CB 4.36Å
106	E	88	Confident	88.6	Confident	156 Å²	156	54.4 Å²	54.4	73%	0.729	26%	0.259	S	S	*	.	H	α-helix	trans	-66.9	-18.6	172.2	-62.3	168.6	179.7	0	0	112.3	S102 C103	S102-E106 PolarHBondContact O-N 2.56Å; C103-E106 PolarHBondContact O-N 2.94Å
107	E	85.9	Confident	88.8	Confident	32 Å²	32	53.9 Å²	53.9	15%	0.15	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	21.5	-174.6	-65.9	-174.8	162.3	0	0	113.9	S2 W3 C103 L104 M105 E109 K110 L111	S2-E107 WeakPolarHBondContact CA-OE1 3.29Å; S2-E107 WeakPolarHBondContact CA-OE2 3.31Å; S2-E107 VanDerWaalsContact CB-CD 3.48Å; S2-E107 WeakPolarHBondContact CB-OE1 3.37Å; S2-E107 VanDerWaalsContact CB-OE2 3.27Å; S2-E107 WeakPolarHBondContact CB-OE2 3.23Å; S2-E107 PolarHBondContact OG-OE1 3.02Å; S2-E107 PolarHBondContact OG-OE2 3.05Å; W3-E107 PolarHBondContact N-OE2 3.3Å; C103-E107 WeakPolarHBondContact O-CG 3.24Å; C103-E107 PolarHBondContact O-N 3.29Å; L104-E107 PolarHBondContact O-N 2.95Å; M105-E107 PolarHBondContact O-N 2.84Å; E107-E109 VanDerWaalsContact C-N 3.28Å; E107-E109 PolarHBondContact O-N 2.79Å; E107-K110 WeakPolarHBondContact O-CB 3.12Å; E107-K110 PolarHBondContact O-N 2.8Å; E107-L111 PolarHBondContact O-N 2.99Å; E107-L111 VanDerWaalsContact O-N 3.09Å
108	Q	84	Confident	88.9	Confident	86 Å²	86	53.5 Å²	53.5	40%	0.402	25%	0.254	S	S	.	.	H	α-helix	trans	-56	-39.1	-176	-166.5	173.7	-1	0	0	113.2	K110 L111 Q112	Q108-K110 VanDerWaalsContact C-N 3.33Å; Q108-K110 PolarHBondContact O-N 2.78Å; Q108-L111 PolarHBondContact O-N 2.74Å; Q108-Q112 WeakPolarHBondContact O-CB 3.11Å; Q108-Q112 PolarHBondContact O-N 2.58Å
109	E	86.4	Confident	89	Confident	166 Å²	166	53 Å²	53	78%	0.776	25%	0.251	S	S	*	.	H	α-helix	trans	-60.9	-40.4	176.7	-65.6	-175.2	171.5	0	0	112.5	E107 Q112 K113	E107-E109 VanDerWaalsContact C-N 3.28Å; E107-E109 PolarHBondContact O-N 2.79Å; E109-Q112 PolarHBondContact O-N 3.26Å; E109-K113 WeakPolarHBondContact O-CB 3.49Å; E109-K113 PolarHBondContact O-N 3.22Å
110	K	86.4	Confident	89.3	Confident	84 Å²	84	48.4 Å²	48.4	37%	0.365	23%	0.231	S	C	.	.	H	α-helix	trans	-68.5	-41.1	177.4	-69.1	-179.4	-178.2	171.6	0	111	I4 E107 Q108 Q112 K113 H114	I4-K110 HydrophobicContact CD1-CB 3.95Å; I4-K110 WeakPolarHBondContact CD1-O 3.4Å; E107-K110 WeakPolarHBondContact O-CB 3.12Å; E107-K110 PolarHBondContact O-N 2.8Å; Q108-K110 VanDerWaalsContact C-N 3.33Å; Q108-K110 PolarHBondContact O-N 2.78Å; K110-Q112 VanDerWaalsContact C-N 3.32Å; K110-K113 PolarHBondContact O-N 3.1Å; K110-H114 PolarHBondContact O-N 2.9Å; K110-H114 PolarHBondContact O-ND1 3.19Å
111	L	86.8	Confident	89.6	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-61.7	-42.1	176.6	-67.9	166.3	0	0	0	110.9	I4 L104 E107 Q108 G115 V116 I118 T142 Y145	I4-L111 HydrophobicContact CD1-CB 4.47Å; I4-L111 HydrophobicContact CD1-CD2 3.71Å; I4-L111 HydrophobicContact CD1-CG 4.1Å; I4-L111 HydrophobicContact CG1-CD2 4.31Å; L104-L111 HydrophobicContact CD2-CD1 3.35Å; L104-L111 HydrophobicContact CG-CD1 3.88Å; L104-L111 WeakPolarHBondContact O-CD1 3.23Å; E107-L111 PolarHBondContact O-N 2.99Å; E107-L111 VanDerWaalsContact O-N 3.09Å; Q108-L111 PolarHBondContact O-N 2.74Å; L111-G115 VanDerWaalsContact O-CA 3.32Å; L111-G115 WeakPolarHBondContact O-CA 3.47Å; L111-G115 PolarHBondContact O-N 3.11Å; L111-V116 HydrophobicContact CD2-CB 3.94Å; L111-V116 HydrophobicContact CD2-CG1 4.23Å; L111-V116 PolarHBondContact O-N 2.9Å; L111-I118 HydrophobicContact CD2-CD1 3.96Å; L111-T142 HydrophobicContact CD1-CG2 4.19Å; L111-Y145 HydrophobicContact CB-CE2 4.04Å
112	Q	88.8	Confident	89.9	Confident	124 Å²	124	48.9 Å²	48.9	58%	0.579	24%	0.237	S	C	*	.	H	α-helix	trans	-66.2	-47.8	176.2	-170.6	178.3	7.7	0	0	111.9	Q108 E109 K110 H114 G115 Y145	Q108-Q112 WeakPolarHBondContact O-CB 3.11Å; Q108-Q112 PolarHBondContact O-N 2.58Å; E109-Q112 PolarHBondContact O-N 3.26Å; K110-Q112 VanDerWaalsContact C-N 3.32Å; Q112-H114 VanDerWaalsContact C-N 3.28Å; Q112-H114 PolarHBondContact O-N 3.3Å; Q112-G115 PolarHBondContact O-N 2.93Å; Q112-G115 VanDerWaalsContact O-N 3.09Å; Q112-Y145 HydrophobicContact CB-CE1 4.42Å; Q112-Y145 HydrophobicContact CB-CE2 4.38Å; Q112-Y145 WeakPolarHBondContact CB-OH 3.49Å; Q112-Y145 HydrophobicContact CG-CE1 4.19Å
113	K	87.9	Confident	90.2	Very high	128 Å²	128	47.9 Å²	47.9	56%	0.557	23%	0.229	S	C	*	.	H	α-helix	trans	-53.8	-46.8	177.7	179.8	-175	173.2	-166.5	0	111.4	E6 E109 K110 K147	E6-K113 IonicContact OE1-NZ 3.05Å; E6-K113 PolarHBondContact OE1-NZ 2.85Å; E109-K113 WeakPolarHBondContact O-CB 3.49Å; E109-K113 PolarHBondContact O-N 3.22Å; K110-K113 PolarHBondContact O-N 3.1Å; K113-K147 PolarHBondContact O-NZ 3.47Å
114	H	85.4	Confident	90.6	Very high	39 Å²	39	47.9 Å²	47.9	18%	0.181	23%	0.227	C	C	.	.	H	α-helix	trans	-87.8	-5.8	-179	-63.8	86.7	0	0	0	113.8	I4 E6 K110 Q112 V116 K147	I4-H114 HydrophobicContact CD1-CB 4.21Å; E6-H114 IonicContact OE1-CE1 2.67Å; E6-H114 PolarHBondContact OE1-CE1 2.86Å; E6-H114 IonicContact OE1-NE2 3.43Å; K110-H114 PolarHBondContact O-N 2.9Å; K110-H114 PolarHBondContact O-ND1 3.19Å; Q112-H114 VanDerWaalsContact C-N 3.28Å; Q112-H114 PolarHBondContact O-N 3.3Å; H114-V116 HydrophobicContact CB-CG2 3.79Å; H114-V116 PolarHBondContact O-N 3.43Å; H114-K147 VanDerWaalsContact O-CB 3.25Å; H114-K147 WeakPolarHBondContact O-CB 3.43Å; H114-K147 WeakPolarHBondContact O-CD 3.31Å
115	G	89.1	Confident	91	Very high	4 Å²	4	53.6 Å²	53.6	4%	0.041	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	45.9	-179.8	0	0	0	0	0	113.5	L111 Q112 C117 K147 C148	L111-G115 VanDerWaalsContact O-CA 3.32Å; L111-G115 WeakPolarHBondContact O-CA 3.47Å; L111-G115 PolarHBondContact O-N 3.11Å; Q112-G115 PolarHBondContact O-N 2.93Å; Q112-G115 VanDerWaalsContact O-N 3.09Å; G115-C117 PolarHBondContact O-N 2.99Å; G115-K147 WeakPolarHBondContact O-CB 3.34Å; G115-K147 PolarHBondContact O-N 3.33Å; G115-C148 PolarHBondContact O-N 2.73Å
116	V	91.9	Very high	91.6	Very high	20 Å²	20	54.9 Å²	54.9	12%	0.121	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	104.8	-176.8	-177.1	0	0	0	0	111	I4 L111 H114 I118 T142 Y145 C148	I4-V116 HydrophobicContact CD1-CG2 3.98Å; I4-V116 HydrophobicContact CG1-CG2 4.42Å; L111-V116 HydrophobicContact CD2-CB 3.94Å; L111-V116 HydrophobicContact CD2-CG1 4.23Å; L111-V116 PolarHBondContact O-N 2.9Å; H114-V116 HydrophobicContact CB-CG2 3.79Å; H114-V116 PolarHBondContact O-N 3.43Å; V116-I118 HydrophobicContact CG1-CG1 4.03Å; V116-T142 WeakPolarHBondContact O-CB 3.38Å; V116-Y145 WeakPolarHBondContact O-CD2 3.47Å; V116-C148 CarbonylContact C-O 3.58Å; V116-C148 WeakPolarHBondContact CA-O 3.38Å; V116-C148 HydrophobicContact CG2-CB 4.3Å
117	C	95.5	Very high	92	Very high	5 Å²	5	47.8 Å²	47.8	3%	0.034	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	122.6	171.6	-175.9	0	0	0	0	110.2	G115 Y145 C148 F149 L150	G115-C117 PolarHBondContact O-N 2.99Å; C117-Y145 WeakPolarHBondContact CB-O 3.32Å; C117-C148 PolarHBondContact N-O 3.27Å; C117-F149 HydrophobicContact CB-CD1 3.54Å; C117-F149 HydrophobicContact CB-CE1 3.81Å; C117-F149 HydrophobicContact CB-CG 4.49Å; C117-F149 WeakPolarHBondContact O-CA 3.35Å; C117-L150 PolarHBondContact O-N 2.94Å
118	I	95.6	Very high	92.4	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	126.2	179.3	-58.5	-177.1	0	0	0	108.9	W3 L104 L111 V116 T142 L150	W3-I118 HydrophobicContact CE3-CD1 4.34Å; L104-I118 HydrophobicContact CD1-CD1 3.23Å; L104-I118 HydrophobicContact CD2-CD1 3.91Å; L104-I118 HydrophobicContact CG-CD1 3.92Å; L111-I118 HydrophobicContact CD2-CD1 3.96Å; V116-I118 HydrophobicContact CG1-CG1 4.03Å; I118-T142 PolarHBondContact N-OG1 2.79Å; I118-T142 PolarHBondContact O-OG1 3.43Å; I118-L150 WeakPolarHBondContact CA-O 3.42Å
119	R	97.3	Very high	92.9	Very high	43 Å²	43	49 Å²	49	16%	0.162	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	138.7	175	-51	-175.9	-169.1	149.7	-6.9	108.2	E72 L121 F149 L150 N151 V152 H196 S197	E72-R119 IonicContact OE1-NH1 2.66Å; R119-L121 HydrophobicContact CB-CD2 4.14Å; R119-F149 VanDerWaalsContact NH2-CD1 3.28Å; R119-L150 PolarHBondContact N-O 3.15Å; R119-N151 WeakPolarHBondContact CD-OD1 3.4Å; R119-N151 CarbonylContact O-C 3.47Å; R119-N151 WeakPolarHBondContact O-CA 3.37Å; R119-V152 PolarHBondContact O-N 3.29Å; R119-H196 VanDerWaalsContact NH1-CB 3.31Å; R119-H196 PolarHBondContact NH1-O 3.41Å; R119-S197 PolarHBondContact NH1-OG 2.98Å
120	V	97.8	Very high	93.3	Very high	15 Å²	15	44.1 Å²	44.1	9%	0.091	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	119.7	175.6	-172	0	0	0	0	108.1	F101 L124 I135 V139 V152 F154	F101-V120 HydrophobicContact CE1-CG2 3.91Å; F101-V120 HydrophobicContact CZ-CG2 3.85Å; V120-L124 HydrophobicContact CG1-CD2 3.93Å; V120-I135 HydrophobicContact CB-CG2 3.63Å; V120-I135 HydrophobicContact CG1-CD1 4.33Å; V120-I135 HydrophobicContact CG1-CG2 3.98Å; V120-I135 HydrophobicContact CG2-CG2 3.68Å; V120-V139 HydrophobicContact CB-CG2 4.37Å; V120-V139 HydrophobicContact CG2-CG2 4.01Å; V120-V152 CarbonylContact C-O 3.6Å; V120-V152 VanDerWaalsContact CA-O 3.31Å; V120-V152 WeakPolarHBondContact CA-O 3.33Å; V120-V152 WeakPolarHBondContact CG1-O 3.48Å; V120-V152 HydrophobicContact CG2-CB 4.43Å; V120-F154 HydrophobicContact CG1-CB 3.83Å
121	L	98.3	Very high	93.7	Very high	13 Å²	13	40.1 Å²	40.1	7%	0.068	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	127.7	-169.6	-49	-175.2	0	0	0	109.9	R119 N151 V152 C153 F154 Y193	R119-L121 HydrophobicContact CB-CD2 4.14Å; L121-N151 HydrophobicContact CD1-CB 3.9Å; L121-N151 HydrophobicContact CG-CB 4.35Å; L121-V152 PolarHBondContact N-O 2.99Å; L121-C153 CarbonylContact O-C 3.5Å; L121-C153 VanDerWaalsContact O-CA 3.24Å; L121-C153 WeakPolarHBondContact O-CA 3.48Å; L121-F154 PolarHBondContact O-N 3.33Å; L121-Y193 WeakPolarHBondContact CD2-O 3.44Å
122	G	97.4	Very high	94.1	Very high	11 Å²	11	41.1 Å²	41.1	11%	0.113	21%	0.206	C	C	.	.	S	Bend	trans	152.1	-174.9	176.6	0	0	0	0	0	113.2	L124 F154	G122-L124 PolarHBondContact O-N 2.97Å; G122-F154 WeakPolarHBondContact CA-O 3.17Å
123	D	96.4	Very high	94.3	Very high	14 Å²	14	38.2 Å²	38.2	8%	0.075	19%	0.193	C	C	.	.			trans	-82.9	71.1	177.8	-70.8	-2.9	0	0	0	109.1	I80 H125 L126 A155 H160 Y193	I80-D123 HydrophobicContact CD1-CB 4.28Å; D123-H125 PolarHBondContact O-N 2.91Å; D123-H125 VanDerWaalsContact O-N 3.11Å; D123-L126 HydrophobicContact CB-CD1 3.83Å; D123-L126 HydrophobicContact CB-CG 4.12Å; D123-L126 WeakPolarHBondContact O-CB 3.27Å; D123-L126 WeakPolarHBondContact O-CG 3.43Å; D123-L126 PolarHBondContact O-N 2.57Å; D123-A155 PolarHBondContact N-O 2.83Å; D123-H160 WeakPolarHBondContact OD2-CB 3.37Å; D123-H160 IonicContact OD2-CD2 2.77Å; D123-H160 PolarHBondContact OD2-CD2 2.85Å; D123-H160 IonicContact OD2-CG 2.79Å; D123-Y193 PolarHBondContact OD1-OH 2.79Å
124	L	95.6	Very high	94.6	Very high	19 Å²	19	35.8 Å²	35.8	10%	0.099	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-62.6	-22.2	-170.5	-58.2	-173.9	0	0	0	113.3	V120 G122 L126 L127 Q132 I135 W324	V120-L124 HydrophobicContact CG1-CD2 3.93Å; G122-L124 PolarHBondContact O-N 2.97Å; L124-L126 PolarHBondContact O-N 2.95Å; L124-L126 VanDerWaalsContact O-N 3.12Å; L124-L127 HydrophobicContact CB-CD1 4.46Å; L124-L127 HydrophobicContact CD2-CD1 3.87Å; L124-L127 VanDerWaalsContact O-CB 3.31Å; L124-L127 WeakPolarHBondContact O-CB 3.27Å; L124-L127 PolarHBondContact O-N 3.1Å; L124-Q132 VanDerWaalsContact O-CD 3.24Å; L124-Q132 VanDerWaalsContact O-CG 3.31Å; L124-Q132 WeakPolarHBondContact O-CG 3.26Å; L124-Q132 PolarHBondContact O-NE2 3.36Å; L124-I135 HydrophobicContact CD1-CG2 4.09Å; L124-W324 HydrophobicContact CB-CH2 3.72Å; L124-W324 HydrophobicContact CB-CZ2 4.46Å; L124-W324 HydrophobicContact CD1-CH2 4.05Å; L124-W324 HydrophobicContact CD1-CZ3 4.15Å; L124-W324 HydrophobicContact CG-CH2 4.44Å
125	H	94.2	Very high	95	Very high	120 Å²	120	34 Å²	34	56%	0.556	17%	0.174	S	C	*	.	G	3₁₀ helix	trans	-61.3	-17.2	173.4	65.1	68	0	0	0	113.5	D123 L127	D123-H125 PolarHBondContact O-N 2.91Å; D123-H125 VanDerWaalsContact O-N 3.11Å; H125-L127 VanDerWaalsContact C-N 3.27Å
126	L	94.8	Very high	95.2	Very high	72 Å²	72	34 Å²	34	38%	0.377	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-77.8	-13.2	174.8	-61.5	177	0	0	0	112.8	I80 F83 D123 L124	I80-L126 HydrophobicContact CD1-CD1 4.18Å; I80-L126 HydrophobicContact CG1-CD1 4.14Å; I80-L126 HydrophobicContact CG2-CD1 4.17Å; F83-L126 HydrophobicContact CE2-CB 4.04Å; F83-L126 HydrophobicContact CE2-CD1 4.25Å; F83-L126 HydrophobicContact CZ-CB 4.13Å; D123-L126 HydrophobicContact CB-CD1 3.83Å; D123-L126 HydrophobicContact CB-CG 4.12Å; D123-L126 WeakPolarHBondContact O-CB 3.27Å; D123-L126 WeakPolarHBondContact O-CG 3.43Å; D123-L126 PolarHBondContact O-N 2.57Å; L124-L126 PolarHBondContact O-N 2.95Å; L124-L126 VanDerWaalsContact O-N 3.12Å
127	L	95.9	Very high	95.3	Very high	7 Å²	7	37.7 Å²	37.7	4%	0.037	19%	0.189	C	C	.	.	S	Bend	trans	-84.5	156.6	-178.2	-60.4	172.7	0	0	0	111.2	F83 L94 L124 H125 L131 Q132 I135 F154 A155	F83-L127 HydrophobicContact CZ-CD2 4.12Å; L94-L127 HydrophobicContact CD2-CD2 3.93Å; L124-L127 HydrophobicContact CB-CD1 4.46Å; L124-L127 HydrophobicContact CD2-CD1 3.87Å; L124-L127 VanDerWaalsContact O-CB 3.31Å; L124-L127 WeakPolarHBondContact O-CB 3.27Å; L124-L127 PolarHBondContact O-N 3.1Å; H125-L127 VanDerWaalsContact C-N 3.27Å; L127-L131 HydrophobicContact CB-CD2 4.47Å; L127-L131 HydrophobicContact CD1-CD2 4.38Å; L127-L131 HydrophobicContact CD2-CD2 4.23Å; L127-Q132 HydrophobicContact CB-CG 3.97Å; L127-Q132 PolarHBondContact O-NE2 3.28Å; L127-I135 HydrophobicContact CD1-CD1 3.74Å; L127-F154 HydrophobicContact CD1-CD1 3.83Å; L127-F154 HydrophobicContact CD1-CE1 4.3Å; L127-F154 HydrophobicContact CD2-CD1 3.75Å; L127-F154 HydrophobicContact CD2-CE1 3.6Å; L127-F154 HydrophobicContact CG-CD1 4.42Å; L127-A155 HydrophobicContact CD2-CB 3.99Å; L127-A155 HydrophobicContact CG-CB 4.14Å
128	P	95.8	Very high	95.1	Very high	41 Å²	41	37.4 Å²	37.4	27%	0.266	19%	0.187	S	C	.	.			trans	-55.2	141.1	167.9	-26.8	37.3	0	0	0	111.8	L94 D130 L131 Q132	L94-P128 HydrophobicContact CD1-CG 3.99Å; P128-D130 VanDerWaalsContact C-N 3.26Å; P128-D130 WeakPolarHBondContact CB-OD1 3.39Å; P128-D130 PolarHBondContact O-N 3.25Å; P128-L131 WeakPolarHBondContact O-CB 3.47Å; P128-L131 PolarHBondContact O-N 3.36Å; P128-Q132 PolarHBondContact O-N 3.41Å
129	L	94	Very high	95.1	Very high	103 Å²	103	38.6 Å²	38.6	54%	0.539	19%	0.194	S	C	.	.	H	α-helix	trans	-55.3	-41.8	-174.7	-176	64.3	0	0	0	112.3	L131 Q132 E133 L328	L129-L131 PolarHBondContact O-N 2.89Å; L129-Q132 WeakPolarHBondContact O-CB 3.33Å; L129-Q132 PolarHBondContact O-N 3.41Å; L129-E133 WeakPolarHBondContact O-CG 3.5Å; L129-E133 PolarHBondContact O-N 2.9Å; L129-L328 HydrophobicContact CD1-CD2 4.02Å
130	D	94.1	Very high	94.9	Very high	62 Å²	62	40.2 Å²	40.2	33%	0.332	20%	0.204	S	C	.	.	H	α-helix	trans	-60.6	-33.3	178.8	72.7	-67.9	0	0	0	113	R98 P128 K134	R98-D130 WeakPolarHBondContact CD-OD2 3.38Å; R98-D130 IonicContact CZ-OD1 3.91Å; R98-D130 IonicContact CZ-OD2 3.51Å; R98-D130 IonicContact NE-OD1 2.74Å; R98-D130 IonicContact NE-OD2 3.34Å; R98-D130 PolarHBondContact NE-OD2 3.02Å; R98-D130 IonicContact NH2-OD1 3.1Å; R98-D130 PolarHBondContact NH2-OD1 3.44Å; R98-D130 VanDerWaalsContact NH2-OD1 3.1Å; R98-D130 IonicContact NH2-OD2 3.45Å; R98-D130 PolarHBondContact NH2-OD2 3.38Å; P128-D130 VanDerWaalsContact C-N 3.26Å; P128-D130 WeakPolarHBondContact CB-OD1 3.39Å; P128-D130 PolarHBondContact O-N 3.25Å; D130-K134 WeakPolarHBondContact O-CG 3.16Å; D130-K134 PolarHBondContact O-N 3.4Å
131	L	94.4	Very high	94.6	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-78.5	-35.7	175.6	-178.7	59	0	0	0	111.3	L94 A97 R98 F101 L127 P128 L129 K134 I135 F154	L94-L131 HydrophobicContact CD2-CD2 3.81Å; A97-L131 HydrophobicContact CB-CD1 4.06Å; A97-L131 HydrophobicContact CB-CD2 4.13Å; R98-L131 HydrophobicContact CG-CD1 4.09Å; F101-L131 HydrophobicContact CD2-CD1 3.98Å; L127-L131 HydrophobicContact CB-CD2 4.47Å; L127-L131 HydrophobicContact CD1-CD2 4.38Å; L127-L131 HydrophobicContact CD2-CD2 4.23Å; P128-L131 WeakPolarHBondContact O-CB 3.47Å; P128-L131 PolarHBondContact O-N 3.36Å; L129-L131 PolarHBondContact O-N 2.89Å; L131-K134 PolarHBondContact O-N 3.09Å; L131-I135 HydrophobicContact CD1-CD1 4.17Å; L131-I135 HydrophobicContact CD1-CG1 4.34Å; L131-I135 HydrophobicContact CG-CD1 3.93Å; L131-I135 WeakPolarHBondContact O-CB 3.27Å; L131-I135 VanDerWaalsContact O-CG1 3.29Å; L131-I135 WeakPolarHBondContact O-CG1 3.44Å; L131-I135 PolarHBondContact O-N 3.22Å; L131-F154 HydrophobicContact CD2-CE1 4.34Å
132	Q	94.9	Very high	94.4	Very high	22 Å²	22	40.2 Å²	40.2	10%	0.103	21%	0.207	C	C	.	.	H	α-helix	trans	-59.9	-45.8	174.3	-64.5	-177.1	47.3	0	0	111.1	L124 L127 P128 L129 I135 A136 L328	L124-Q132 VanDerWaalsContact O-CD 3.24Å; L124-Q132 VanDerWaalsContact O-CG 3.31Å; L124-Q132 WeakPolarHBondContact O-CG 3.26Å; L124-Q132 PolarHBondContact O-NE2 3.36Å; L127-Q132 HydrophobicContact CB-CG 3.97Å; L127-Q132 PolarHBondContact O-NE2 3.28Å; P128-Q132 PolarHBondContact O-N 3.41Å; L129-Q132 WeakPolarHBondContact O-CB 3.33Å; L129-Q132 PolarHBondContact O-N 3.41Å; Q132-I135 PolarHBondContact O-N 2.92Å; Q132-A136 WeakPolarHBondContact O-CB 3.31Å; Q132-A136 PolarHBondContact O-N 3.06Å; Q132-L328 HydrophobicContact CB-CD1 4.28Å; Q132-L328 HydrophobicContact CB-CD2 4.47Å
133	E	93.6	Very high	94.3	Very high	64 Å²	64	44.5 Å²	44.5	30%	0.299	22%	0.223	S	C	.	.	H	α-helix	trans	-61.3	-46.1	177.9	-68.6	171	175.1	0	0	111.8	L129 I135 A136 H137 A331	L129-E133 WeakPolarHBondContact O-CG 3.5Å; L129-E133 PolarHBondContact O-N 2.9Å; E133-I135 VanDerWaalsContact C-N 3.34Å; E133-I135 PolarHBondContact O-N 2.98Å; E133-A136 PolarHBondContact O-N 3.36Å; E133-H137 WeakPolarHBondContact O-CB 3.13Å; E133-H137 PolarHBondContact O-N 2.96Å; E133-A331 HydrophobicContact CG-CB 4.26Å; E133-A331 WeakPolarHBondContact OE1-CB 3.23Å
134	K	93.8	Very high	94.2	Very high	77 Å²	77	50.4 Å²	50.4	34%	0.335	25%	0.254	S	S	.	.	H	α-helix	trans	-60.7	-41.6	176.1	-73.5	175	-175.9	-65.3	0	112.5	F101 S102 D130 L131 A138	F101-K134 HydrophobicContact CB-CB 4.28Å; S102-K134 PolarHBondContact OG-NZ 2.76Å; S102-K134 VanDerWaalsContact OG-NZ 3.08Å; D130-K134 WeakPolarHBondContact O-CG 3.16Å; D130-K134 PolarHBondContact O-N 3.4Å; L131-K134 PolarHBondContact O-N 3.09Å; K134-A138 WeakPolarHBondContact O-CB 3.42Å; K134-A138 PolarHBondContact O-N 3.43Å; K134-A138 VanDerWaalsContact O-N 3.12Å
135	I	94.6	Very high	94.1	Very high	2 Å²	2	51.2 Å²	51.2	1%	0.01	26%	0.256	C	S	.	.	H	α-helix	trans	-64.4	-47.6	175.6	-73.7	166	0	0	0	110.2	F101 V120 L124 L127 L131 Q132 E133 H137 A138 V139	F101-I135 HydrophobicContact CD1-CG1 4.36Å; F101-I135 HydrophobicContact CD2-CG1 3.83Å; F101-I135 HydrophobicContact CE1-CG1 4.13Å; F101-I135 HydrophobicContact CE2-CD1 3.99Å; F101-I135 HydrophobicContact CE2-CG1 3.58Å; F101-I135 HydrophobicContact CG-CG1 4.23Å; F101-I135 HydrophobicContact CZ-CD1 4.36Å; F101-I135 HydrophobicContact CZ-CG1 3.75Å; V120-I135 HydrophobicContact CB-CG2 3.63Å; V120-I135 HydrophobicContact CG1-CD1 4.33Å; V120-I135 HydrophobicContact CG1-CG2 3.98Å; V120-I135 HydrophobicContact CG2-CG2 3.68Å; L124-I135 HydrophobicContact CD1-CG2 4.09Å; L127-I135 HydrophobicContact CD1-CD1 3.74Å; L131-I135 HydrophobicContact CD1-CD1 4.17Å; L131-I135 HydrophobicContact CD1-CG1 4.34Å; L131-I135 HydrophobicContact CG-CD1 3.93Å; L131-I135 WeakPolarHBondContact O-CB 3.27Å; L131-I135 VanDerWaalsContact O-CG1 3.29Å; L131-I135 WeakPolarHBondContact O-CG1 3.44Å; L131-I135 PolarHBondContact O-N 3.22Å; Q132-I135 PolarHBondContact O-N 2.92Å; E133-I135 VanDerWaalsContact C-N 3.34Å; E133-I135 PolarHBondContact O-N 2.98Å; I135-H137 VanDerWaalsContact C-N 3.33Å; I135-H137 PolarHBondContact O-N 2.9Å; I135-A138 PolarHBondContact O-N 3.02Å; I135-A138 VanDerWaalsContact O-N 3.17Å; I135-V139 HydrophobicContact CG2-CG2 4.3Å; I135-V139 WeakPolarHBondContact O-CG2 3.27Å; I135-V139 PolarHBondContact O-N 3.03Å
136	A	94	Very high	94	Very high	2 Å²	2	51.4 Å²	51.4	2%	0.017	26%	0.261	C	S	.	.	H	α-helix	trans	-59.3	-45.4	-179.1	0	0	0	0	0	111.4	Q132 E133 A138 V139 Q140 L325 L328	Q132-A136 WeakPolarHBondContact O-CB 3.31Å; Q132-A136 PolarHBondContact O-N 3.06Å; E133-A136 PolarHBondContact O-N 3.36Å; A136-A138 PolarHBondContact O-N 3.27Å; A136-V139 PolarHBondContact O-N 2.98Å; A136-Q140 VanDerWaalsContact O-CB 3.26Å; A136-Q140 WeakPolarHBondContact O-CB 3.42Å; A136-Q140 PolarHBondContact O-N 2.94Å; A136-L325 HydrophobicContact CB-CD1 3.81Å; A136-L328 HydrophobicContact CB-CB 3.79Å
137	H	92.2	Very high	93.8	Very high	98 Å²	98	53.5 Å²	53.5	45%	0.454	27%	0.267	S	S	.	.	H	α-helix	trans	-61.4	-42.4	176.2	-169.2	-93.2	0	0	0	112	M105 E133 I135 Q140 A141	M105-H137 VanDerWaalsContact SD-CE1 3.52Å; M105-H137 PolarHBondContact SD-ND1 3.46Å; E133-H137 WeakPolarHBondContact O-CB 3.13Å; E133-H137 PolarHBondContact O-N 2.96Å; I135-H137 VanDerWaalsContact C-N 3.33Å; I135-H137 PolarHBondContact O-N 2.9Å; H137-Q140 PolarHBondContact O-N 2.55Å; H137-A141 VanDerWaalsContact O-CB 3.27Å; H137-A141 WeakPolarHBondContact O-CB 3.47Å; H137-A141 PolarHBondContact O-N 3.3Å
138	A	92.6	Very high	93.7	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-64.4	-43.6	177.5	0	0	0	0	0	113.8	F101 L104 M105 K134 I135 A136 T142	F101-A138 HydrophobicContact CD1-CB 4.09Å; L104-A138 HydrophobicContact CD2-CB 4.06Å; M105-A138 HydrophobicContact CE-CB 3.74Å; K134-A138 WeakPolarHBondContact O-CB 3.42Å; K134-A138 PolarHBondContact O-N 3.43Å; K134-A138 VanDerWaalsContact O-N 3.12Å; I135-A138 PolarHBondContact O-N 3.02Å; I135-A138 VanDerWaalsContact O-N 3.17Å; A136-A138 PolarHBondContact O-N 3.27Å; A138-T142 PolarHBondContact O-N 3.43Å; A138-T142 PolarHBondContact O-OG1 3.25Å
139	V	94.8	Very high	93.7	Very high	25 Å²	25	54.1 Å²	54.1	15%	0.152	27%	0.267	C	S	.	.	H	α-helix	trans	-65.2	-45.6	176.6	173.9	0	0	0	0	109.9	V120 I135 A136 A141 T142 K143 L325	V120-V139 HydrophobicContact CB-CG2 4.37Å; V120-V139 HydrophobicContact CG2-CG2 4.01Å; I135-V139 HydrophobicContact CG2-CG2 4.3Å; I135-V139 WeakPolarHBondContact O-CG2 3.27Å; I135-V139 PolarHBondContact O-N 3.03Å; A136-V139 PolarHBondContact O-N 2.98Å; V139-A141 PolarHBondContact O-N 3.29Å; V139-T142 PolarHBondContact O-N 3.49Å; V139-K143 WeakPolarHBondContact O-CB 3.49Å; V139-K143 PolarHBondContact O-N 2.89Å; V139-L325 HydrophobicContact CB-CD1 4.29Å; V139-L325 HydrophobicContact CG1-CD1 4.29Å; V139-L325 HydrophobicContact CG1-CD2 3.96Å
140	Q	93.4	Very high	93.9	Very high	78 Å²	78	49.4 Å²	49.4	36%	0.364	24%	0.243	S	C	.	.	H	α-helix	trans	-63.3	-41	179.9	-173.5	71.1	-6.9	0	0	112.4	A136 H137 T142 K143	A136-Q140 VanDerWaalsContact O-CB 3.26Å; A136-Q140 WeakPolarHBondContact O-CB 3.42Å; A136-Q140 PolarHBondContact O-N 2.94Å; H137-Q140 PolarHBondContact O-N 2.55Å; Q140-T142 VanDerWaalsContact C-N 3.26Å; Q140-T142 PolarHBondContact O-N 3.46Å; Q140-K143 WeakPolarHBondContact O-CG 3.49Å
141	A	92.4	Very high	94.1	Very high	26 Å²	26	46.4 Å²	46.4	22%	0.215	23%	0.227	C	C	.	.	H	α-helix	trans	-64.2	-30.4	179.5	0	0	0	0	0	113	M105 H137 V139	M105-A141 HydrophobicContact CE-CB 4.36Å; H137-A141 VanDerWaalsContact O-CB 3.27Å; H137-A141 WeakPolarHBondContact O-CB 3.47Å; H137-A141 PolarHBondContact O-N 3.3Å; V139-A141 PolarHBondContact O-N 3.29Å
142	T	94.3	Very high	94.3	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.006	23%	0.229	C	C	.	.	H	α-helix	trans	-107.6	-0.9	-173.8	63.9	0	0	0	0	114.2	L111 V116 I118 A138 V139 Q140 N144 Y145	L111-T142 HydrophobicContact CD1-CG2 4.19Å; V116-T142 WeakPolarHBondContact O-CB 3.38Å; I118-T142 PolarHBondContact N-OG1 2.79Å; I118-T142 PolarHBondContact O-OG1 3.43Å; A138-T142 PolarHBondContact O-N 3.43Å; A138-T142 PolarHBondContact O-OG1 3.25Å; V139-T142 PolarHBondContact O-N 3.49Å; Q140-T142 VanDerWaalsContact C-N 3.26Å; Q140-T142 PolarHBondContact O-N 3.46Å; T142-N144 VanDerWaalsContact C-N 3.26Å; T142-N144 PolarHBondContact O-N 3.09Å; T142-N144 VanDerWaalsContact O-N 3.14Å; T142-Y145 HydrophobicContact CG2-CD2 4.05Å; T142-Y145 HydrophobicContact CG2-CE2 3.89Å; T142-Y145 WeakPolarHBondContact O-CB 3.41Å; T142-Y145 PolarHBondContact O-N 3.35Å
143	K	94	Very high	94.4	Very high	102 Å²	102	45.7 Å²	45.7	44%	0.443	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-31.9	-173.1	75.6	-174.7	-175.5	177.2	0	115.2	V139 Q140	V139-K143 WeakPolarHBondContact O-CB 3.49Å; V139-K143 PolarHBondContact O-N 2.89Å; Q140-K143 WeakPolarHBondContact O-CG 3.49Å
144	N	93.9	Very high	94.6	Very high	137 Å²	137	43.2 Å²	43.2	73%	0.733	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-0.6	-176.4	-67.9	-25	0	0	0	112.8	T142	T142-N144 VanDerWaalsContact C-N 3.26Å; T142-N144 PolarHBondContact O-N 3.09Å; T142-N144 VanDerWaalsContact O-N 3.14Å
145	Y	94.2	Very high	94.8	Very high	37 Å²	37	39.6 Å²	39.6	15%	0.145	20%	0.196	C	C	.	.			trans	-81	148.4	178.6	-59.5	-13.6	0	0	0	110.5	L111 Q112 V116 C117 T142	L111-Y145 HydrophobicContact CB-CE2 4.04Å; Q112-Y145 HydrophobicContact CB-CE1 4.42Å; Q112-Y145 HydrophobicContact CB-CE2 4.38Å; Q112-Y145 WeakPolarHBondContact CB-OH 3.49Å; Q112-Y145 HydrophobicContact CG-CE1 4.19Å; V116-Y145 WeakPolarHBondContact O-CD2 3.47Å; C117-Y145 WeakPolarHBondContact CB-O 3.32Å; T142-Y145 HydrophobicContact CG2-CD2 4.05Å; T142-Y145 HydrophobicContact CG2-CE2 3.89Å; T142-Y145 WeakPolarHBondContact O-CB 3.41Å; T142-Y145 PolarHBondContact O-N 3.35Å
146	N	92.8	Very high	95	Very high	124 Å²	124	39.5 Å²	39.5	66%	0.663	20%	0.196	S	C	*	.			trans	-142.2	6.3	-166.3	68.4	-11.9	0	0	0	115.4
147	K	90.4	Very high	95.2	Very high	115 Å²	115	39.5 Å²	39.5	50%	0.5	20%	0.195	S	C	.	.	S	Bend	trans	-87.3	-42.9	-178.2	-68.9	-178.9	-178.4	175.6	0	111.6	K113 H114 G115	K113-K147 PolarHBondContact O-NZ 3.47Å; H114-K147 VanDerWaalsContact O-CB 3.25Å; H114-K147 WeakPolarHBondContact O-CB 3.43Å; H114-K147 WeakPolarHBondContact O-CD 3.31Å; G115-K147 WeakPolarHBondContact O-CB 3.34Å; G115-K147 PolarHBondContact O-N 3.33Å
148	C	93	Very high	95.5	Very high	15 Å²	15	34.8 Å²	34.8	10%	0.101	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	149.2	179.8	-43.1	0	0	0	0	109.9	L66 L71 G115 V116 C117	L66-C148 WeakPolarHBondContact CD1-SG 3.47Å; L71-C148 CarbonylContact O-C 3.5Å; L71-C148 VanDerWaalsContact O-CA 3.27Å; L71-C148 WeakPolarHBondContact O-CA 3.26Å; G115-C148 PolarHBondContact O-N 2.73Å; V116-C148 CarbonylContact C-O 3.58Å; V116-C148 WeakPolarHBondContact CA-O 3.38Å; V116-C148 HydrophobicContact CG2-CB 4.3Å; C117-C148 PolarHBondContact N-O 3.27Å
149	F	96.8	Very high	95.8	Very high	46 Å²	46	43.1 Å²	43.1	20%	0.202	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	128.1	-179.2	-59	-83.1	0	0	0	110.1	L71 E72 V73 C117 R119	L71-F149 PolarHBondContact O-N 3.01Å; E72-F149 WeakPolarHBondContact CA-O 3.48Å; E72-F149 HydrophobicContact CB-CB 4.12Å; E72-F149 HydrophobicContact CG-CB 3.78Å; V73-F149 PolarHBondContact N-O 2.94Å; C117-F149 HydrophobicContact CB-CD1 3.54Å; C117-F149 HydrophobicContact CB-CE1 3.81Å; C117-F149 HydrophobicContact CB-CG 4.49Å; C117-F149 WeakPolarHBondContact O-CA 3.35Å; R119-F149 VanDerWaalsContact NH2-CD1 3.28Å
150	L	97.4	Very high	96	Very high	4 Å²	4	45.8 Å²	45.8	2%	0.021	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	112.6	173.9	175.9	57.4	0	0	0	109.4	W3 L62 V73 V75 C117 I118 R119 V152	W3-L150 HydrophobicContact CE3-CD2 3.77Å; W3-L150 HydrophobicContact CZ3-CD2 3.58Å; L62-L150 HydrophobicContact CD1-CD1 4.15Å; L62-L150 HydrophobicContact CD1-CD2 3.6Å; L62-L150 HydrophobicContact CD1-CG 4.45Å; L62-L150 HydrophobicContact CD2-CD1 3.74Å; V73-L150 HydrophobicContact CB-CD1 4.43Å; V73-L150 HydrophobicContact CG1-CD1 4.45Å; V73-L150 CarbonylContact O-C 3.29Å; V73-L150 WeakPolarHBondContact O-CA 3.41Å; V75-L150 HydrophobicContact CG1-CD1 4.5Å; V75-L150 HydrophobicContact CG2-CD1 4.27Å; C117-L150 PolarHBondContact O-N 2.94Å; I118-L150 WeakPolarHBondContact CA-O 3.42Å; R119-L150 PolarHBondContact N-O 3.15Å; L150-V152 HydrophobicContact CD1-CG2 4.41Å; L150-V152 HydrophobicContact CD2-CG2 4.24Å; L150-V152 HydrophobicContact CG-CG2 3.95Å
151	N	98.4	Very high	96.2	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	114.8	174.1	-51	-58.3	0	0	0	109.2	E72 V73 T74 V75 R119 L121 S197	E72-N151 PolarHBondContact OE1-ND2 2.85Å; V73-N151 PolarHBondContact O-N 3.39Å; T74-N151 CarbonylContact C-O 3.6Å; T74-N151 VanDerWaalsContact CA-O 3.29Å; T74-N151 WeakPolarHBondContact CA-O 3.49Å; T74-N151 HydrophobicContact CG2-CB 3.87Å; T74-N151 WeakPolarHBondContact OG1-CB 3.49Å; T74-N151 PolarHBondContact OG1-ND2 3.22Å; V75-N151 PolarHBondContact N-O 3.3Å; R119-N151 WeakPolarHBondContact CD-OD1 3.4Å; R119-N151 CarbonylContact O-C 3.47Å; R119-N151 WeakPolarHBondContact O-CA 3.37Å; L121-N151 HydrophobicContact CD1-CB 3.9Å; L121-N151 HydrophobicContact CG-CB 4.35Å; N151-S197 PolarHBondContact ND2-OG 3.14Å
152	V	98	Very high	96.5	Very high	6 Å²	6	43 Å²	43	4%	0.036	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	106.5	177.6	-175.1	0	0	0	0	108.7	W3 V75 A77 R119 V120 L121 L150 F154	W3-V152 HydrophobicContact CH2-CG2 4.34Å; W3-V152 HydrophobicContact CZ3-CG2 4.2Å; V75-V152 HydrophobicContact CG2-CG1 4.42Å; V75-V152 HydrophobicContact CG2-CG2 4.28Å; A77-V152 HydrophobicContact CB-CG1 3.66Å; R119-V152 PolarHBondContact O-N 3.29Å; V120-V152 CarbonylContact C-O 3.6Å; V120-V152 VanDerWaalsContact CA-O 3.31Å; V120-V152 WeakPolarHBondContact CA-O 3.33Å; V120-V152 WeakPolarHBondContact CG1-O 3.48Å; V120-V152 HydrophobicContact CG2-CB 4.43Å; L121-V152 PolarHBondContact N-O 2.99Å; L150-V152 HydrophobicContact CD1-CG2 4.41Å; L150-V152 HydrophobicContact CD2-CG2 4.24Å; L150-V152 HydrophobicContact CG-CG2 3.95Å; V152-F154 HydrophobicContact CG1-CD2 4.44Å; V152-F154 PolarHBondContact O-N 2.95Å
153	C	98.5	Very high	96.7	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	109.7	174.7	-68.6	0	0	0	0	109.9	V75 Y76 A77 F78 L121 Y156 F215	V75-C153 WeakPolarHBondContact O-CB 3.5Å; V75-C153 PolarHBondContact O-N 3.42Å; Y76-C153 HydrophobicContact CD2-CB 4.12Å; A77-C153 PolarHBondContact N-O 3.17Å; F78-C153 PolarHBondContact N-O 3.42Å; L121-C153 CarbonylContact O-C 3.5Å; L121-C153 VanDerWaalsContact O-CA 3.24Å; L121-C153 WeakPolarHBondContact O-CA 3.48Å; C153-Y156 HydrophobicContact CB-CD1 3.93Å; C153-Y156 HydrophobicContact CB-CD2 4.3Å; C153-Y156 HydrophobicContact CB-CG 3.75Å; C153-F215 HydrophobicContact CB-CE2 3.79Å
154	F	97.4	Very high	96.9	Very high	13 Å²	13	42.9 Å²	42.9	6%	0.057	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	131.4	-173.1	-151.9	-74.9	0	0	0	110.3	A77 F78 L94 A97 V120 L121 G122 L127 L131 V152 Y156	A77-F154 HydrophobicContact CB-CD2 3.86Å; A77-F154 HydrophobicContact CB-CE2 4.38Å; F78-F154 HydrophobicContact CB-CD1 3.85Å; F78-F154 HydrophobicContact CB-CD2 3.82Å; F78-F154 HydrophobicContact CB-CE1 3.76Å; F78-F154 HydrophobicContact CB-CE2 3.74Å; F78-F154 HydrophobicContact CB-CG 3.88Å; F78-F154 HydrophobicContact CB-CZ 3.7Å; F78-F154 HydrophobicContact CD1-CD1 4.37Å; F78-F154 HydrophobicContact CD1-CE1 4.09Å; F78-F154 HydrophobicContact CD2-CZ 4.41Å; F78-F154 HydrophobicContact CG-CD1 4.35Å; F78-F154 AromaticContact CG-CE1 3.93Å; F78-F154 HydrophobicContact CG-CE1 3.93Å; F78-F154 HydrophobicContact CG-CZ 4.02Å; F78-F154 CarbonylContact O-C 3.54Å; L94-F154 HydrophobicContact CD2-CE1 4.07Å; L94-F154 HydrophobicContact CD2-CZ 4.38Å; A97-F154 HydrophobicContact CB-CE2 3.83Å; A97-F154 HydrophobicContact CB-CZ 3.65Å; V120-F154 HydrophobicContact CG1-CB 3.83Å; L121-F154 PolarHBondContact O-N 3.33Å; G122-F154 WeakPolarHBondContact CA-O 3.17Å; L127-F154 HydrophobicContact CD1-CD1 3.83Å; L127-F154 HydrophobicContact CD1-CE1 4.3Å; L127-F154 HydrophobicContact CD2-CD1 3.75Å; L127-F154 HydrophobicContact CD2-CE1 3.6Å; L127-F154 HydrophobicContact CG-CD1 4.42Å; L131-F154 HydrophobicContact CD2-CE1 4.34Å; V152-F154 HydrophobicContact CG1-CD2 4.44Å; V152-F154 PolarHBondContact O-N 2.95Å; F154-Y156 PolarHBondContact O-N 2.88Å
155	A	97.3	Very high	97.1	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	49.5	45.8	-163.5	0	0	0	0	0	111.3	F78 I80 F83 D123 L127	F78-A155 PolarHBondContact O-N 3.44Å; I80-A155 VanDerWaalsContact CG1-C 3.46Å; I80-A155 VanDerWaalsContact CG1-O 3.25Å; I80-A155 WeakPolarHBondContact CG1-O 3.45Å; F83-A155 HydrophobicContact CE2-CB 4.07Å; F83-A155 HydrophobicContact CZ-CB 4.32Å; D123-A155 PolarHBondContact N-O 2.83Å; L127-A155 HydrophobicContact CD2-CB 3.99Å; L127-A155 HydrophobicContact CG-CB 4.14Å
156	Y	98.6	Very high	97.3	Very high	1 Å²	1	38.1 Å²	38.1	0%	0.004	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	145.8	-171.1	174.6	-86.2	0	0	0	112.1	Y76 F78 S79 I80 C153 F154 S158 E161 Y193 F215 L216	Y76-Y156 HydrophobicContact CD2-CD1 4.4Å; Y76-Y156 AromaticContact CE2-CD1 3.81Å; Y76-Y156 HydrophobicContact CE2-CD1 3.81Å; Y76-Y156 WeakPolarHBondContact CE2-O 3.3Å; Y76-Y156 PolarHBondContact OH-O 2.94Å; F78-Y156 PolarHBondContact O-N 2.86Å; F78-Y156 VanDerWaalsContact O-N 3.16Å; S79-Y156 VanDerWaalsContact CA-O 3.31Å; S79-Y156 WeakPolarHBondContact CA-O 3.45Å; S79-Y156 PolarHBondContact OG-O 3.27Å; I80-Y156 PolarHBondContact N-O 3.44Å; C153-Y156 HydrophobicContact CB-CD1 3.93Å; C153-Y156 HydrophobicContact CB-CD2 4.3Å; C153-Y156 HydrophobicContact CB-CG 3.75Å; F154-Y156 PolarHBondContact O-N 2.88Å; Y156-S158 WeakPolarHBondContact OH-CA 3.42Å; Y156-E161 HydrophobicContact CE2-CB 3.86Å; Y156-E161 HydrophobicContact CE2-CG 4.24Å; Y156-E161 WeakPolarHBondContact CE2-OE2 3.3Å; Y156-E161 PolarHBondContact OH-OE2 2.84Å; Y156-Y193 HydrophobicContact CD2-CD2 4.04Å; Y156-Y193 HydrophobicContact CD2-CE2 4.5Å; Y156-Y193 HydrophobicContact CE2-CD2 4.04Å; Y156-F215 AromaticContact CD1-CD2 3.99Å; Y156-F215 HydrophobicContact CD1-CD2 3.99Å; Y156-F215 HydrophobicContact CD1-CE2 4.39Å; Y156-F215 AromaticContact CE1-CD2 3.71Å; Y156-F215 HydrophobicContact CE1-CD2 3.71Å; Y156-F215 HydrophobicContact CE1-CE2 4.24Å; Y156-L216 PolarHBondContact OH-N 3.25Å
157	T	98.5	Very high	97.6	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.006	18%	0.18	C	C	.	.			trans	-147	151.1	155.7	58.6	0	0	0	0	108.5	I80 R159 H160 E161 D214	I80-T157 HydrophobicContact CB-CG2 3.91Å; I80-T157 HydrophobicContact CD1-CG2 4.31Å; I80-T157 HydrophobicContact CG1-CG2 4.18Å; T157-R159 VanDerWaalsContact C-N 3.34Å; T157-R159 PolarHBondContact O-N 3.29Å; T157-H160 PolarHBondContact O-N 3.3Å; T157-H160 WeakPolarHBondContact OG1-CB 3.39Å; T157-H160 PolarHBondContact OG1-N 2.89Å; T157-H160 PolarHBondContact OG1-ND1 2.92Å; T157-E161 PolarHBondContact O-N 2.81Å; T157-D214 WeakPolarHBondContact CA-O 3.2Å
158	S	98.7	Very high	98	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-66.3	-37.2	-178.2	-171.4	0	0	0	0	112.2	Y156 H160 E161 I162 D214 L217	Y156-S158 WeakPolarHBondContact OH-CA 3.42Å; S158-H160 PolarHBondContact O-N 3.33Å; S158-E161 PolarHBondContact O-N 3.08Å; S158-I162 VanDerWaalsContact O-CG1 3.27Å; S158-I162 WeakPolarHBondContact O-CG1 3.4Å; S158-I162 PolarHBondContact O-N 3.21Å; S158-D214 WeakPolarHBondContact CA-OD1 3.39Å; S158-D214 VanDerWaalsContact CB-OD1 3.27Å; S158-D214 WeakPolarHBondContact CB-OD1 3.48Å; S158-D214 PolarHBondContact N-O 3.38Å; S158-D214 PolarHBondContact N-OD1 2.98Å; S158-L217 WeakPolarHBondContact OG-CB 3.16Å; S158-L217 PolarHBondContact OG-N 2.83Å
159	R	98.6	Very high	98.3	Very high	175 Å²	175	34 Å²	34	66%	0.66	16%	0.157	S	C	*	.	H	α-helix	trans	-60.5	-40.9	174	-73.3	180	176.1	-173.9	-1.9	113.2	T157 T163 D214	T157-R159 VanDerWaalsContact C-N 3.34Å; T157-R159 PolarHBondContact O-N 3.29Å; R159-T163 WeakPolarHBondContact O-CB 3.42Å; R159-T163 PolarHBondContact O-N 2.78Å; R159-T163 PolarHBondContact O-OG1 3.45Å; R159-D214 WeakPolarHBondContact CD-OD2 3.34Å; R159-D214 WeakPolarHBondContact CG-OD2 3.39Å; R159-D214 PolarHBondContact N-OD1 2.77Å
160	H	98.4	Very high	98.3	Very high	81 Å²	81	34.5 Å²	34.5	38%	0.375	17%	0.17	S	C	.	.	H	α-helix	trans	-67.7	-42.9	176.1	-76.4	71.7	0	0	0	111.1	I80 D123 T157 S158 I162 T163 N164	I80-H160 HydrophobicContact CD1-CB 3.86Å; I80-H160 VanDerWaalsContact CD1-CG 3.45Å; D123-H160 WeakPolarHBondContact OD2-CB 3.37Å; D123-H160 IonicContact OD2-CD2 2.77Å; D123-H160 PolarHBondContact OD2-CD2 2.85Å; D123-H160 IonicContact OD2-CG 2.79Å; T157-H160 PolarHBondContact O-N 3.3Å; T157-H160 WeakPolarHBondContact OG1-CB 3.39Å; T157-H160 PolarHBondContact OG1-N 2.89Å; T157-H160 PolarHBondContact OG1-ND1 2.92Å; S158-H160 PolarHBondContact O-N 3.33Å; H160-I162 PolarHBondContact O-N 3.03Å; H160-T163 PolarHBondContact O-N 3.34Å; H160-N164 WeakPolarHBondContact O-CB 3.38Å; H160-N164 PolarHBondContact O-N 2.79Å
161	E	98.7	Very high	98.4	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-58.4	-47.7	175.3	-179.3	-176.7	-145	0	0	112.2	Y156 T157 S158 T163 N164 A165 L192 Y193 S194 Q219	Y156-E161 HydrophobicContact CE2-CB 3.86Å; Y156-E161 HydrophobicContact CE2-CG 4.24Å; Y156-E161 WeakPolarHBondContact CE2-OE2 3.3Å; Y156-E161 PolarHBondContact OH-OE2 2.84Å; T157-E161 PolarHBondContact O-N 2.81Å; S158-E161 PolarHBondContact O-N 3.08Å; E161-T163 PolarHBondContact O-N 3.47Å; E161-N164 PolarHBondContact O-N 2.95Å; E161-A165 WeakPolarHBondContact O-CB 3.47Å; E161-A165 PolarHBondContact O-N 3.26Å; E161-L192 HydrophobicContact CG-CB 4.27Å; E161-L192 HydrophobicContact CG-CD2 3.7Å; E161-Y193 HydrophobicContact CB-CD2 3.78Å; E161-Y193 HydrophobicContact CB-CE2 3.78Å; E161-Y193 HydrophobicContact CG-CD2 3.57Å; E161-Y193 HydrophobicContact CG-CE2 3.99Å; E161-Y193 HydrophobicContact CG-CG 3.89Å; E161-Y193 WeakPolarHBondContact OE1-CA 3.29Å; E161-Y193 WeakPolarHBondContact OE1-CB 3.38Å; E161-Y193 PolarHBondContact OE1-N 3.06Å; E161-S194 PolarHBondContact OE1-N 2.85Å; E161-Q219 VanDerWaalsContact CD-NE2 3.34Å; E161-Q219 PolarHBondContact OE1-NE2 3.13Å; E161-Q219 PolarHBondContact OE2-NE2 3.34Å
162	I	98.8	Very high	98.4	Very high	46 Å²	46	37.4 Å²	37.4	24%	0.236	18%	0.18	C	C	.	.	H	α-helix	trans	-63.3	-43.7	178.4	-67	163.9	0	0	0	110.5	S158 H160 N164 A165 V166 L192 W218	S158-I162 VanDerWaalsContact O-CG1 3.27Å; S158-I162 WeakPolarHBondContact O-CG1 3.4Å; S158-I162 PolarHBondContact O-N 3.21Å; H160-I162 PolarHBondContact O-N 3.03Å; I162-N164 VanDerWaalsContact C-N 3.29Å; I162-N164 PolarHBondContact O-N 3.01Å; I162-A165 PolarHBondContact O-N 3.27Å; I162-V166 WeakPolarHBondContact O-CG2 3.44Å; I162-V166 PolarHBondContact O-N 3.32Å; I162-L192 HydrophobicContact CG1-CD2 4.36Å; I162-W218 HydrophobicContact CD1-CB 4.29Å; I162-W218 HydrophobicContact CG1-CB 4.45Å
163	T	98.6	Very high	98.4	Very high	77 Å²	77	39.4 Å²	39.4	47%	0.472	19%	0.192	S	C	.	.	H	α-helix	trans	-62.1	-40.5	177.2	-57.4	0	0	0	0	110.9	R159 H160 E161 V166 R167	R159-T163 WeakPolarHBondContact O-CB 3.42Å; R159-T163 PolarHBondContact O-N 2.78Å; R159-T163 PolarHBondContact O-OG1 3.45Å; H160-T163 PolarHBondContact O-N 3.34Å; E161-T163 PolarHBondContact O-N 3.47Å; T163-V166 PolarHBondContact O-N 3.34Å; T163-R167 WeakPolarHBondContact O-CB 3.33Å; T163-R167 PolarHBondContact O-N 3.13Å
164	N	98.4	Very high	98.4	Very high	23 Å²	23	46.7 Å²	46.7	12%	0.123	23%	0.226	C	C	.	.	H	α-helix	trans	-65.2	-46.2	175.7	-168.8	69.6	0	0	0	111.4	H160 E161 I162 V166 R167 E168 Y193	H160-N164 WeakPolarHBondContact O-CB 3.38Å; H160-N164 PolarHBondContact O-N 2.79Å; E161-N164 PolarHBondContact O-N 2.95Å; I162-N164 VanDerWaalsContact C-N 3.29Å; I162-N164 PolarHBondContact O-N 3.01Å; N164-V166 VanDerWaalsContact C-N 3.26Å; N164-V166 PolarHBondContact O-N 2.88Å; N164-R167 CarbonylContact O-C 3.58Å; N164-R167 WeakPolarHBondContact O-CA 3.11Å; N164-R167 WeakPolarHBondContact O-CB 3.37Å; N164-R167 PolarHBondContact O-N 2.91Å; N164-R167 PolarHBondContact OD1-NH1 3Å; N164-E168 WeakPolarHBondContact O-CG 3.36Å; N164-E168 PolarHBondContact O-N 3.02Å; N164-Y193 HydrophobicContact CB-CE1 4.21Å; N164-Y193 VanDerWaalsContact CB-OH 3.3Å; N164-Y193 WeakPolarHBondContact CB-OH 3.44Å; N164-Y193 WeakPolarHBondContact ND2-CE1 3.33Å
165	A	98.5	Very high	98.4	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-56.4	-40.4	176.5	0	0	0	0	0	112.4	E161 I162 E168 M169 L188 C191 L192	E161-A165 WeakPolarHBondContact O-CB 3.47Å; E161-A165 PolarHBondContact O-N 3.26Å; I162-A165 PolarHBondContact O-N 3.27Å; A165-E168 PolarHBondContact O-N 3.05Å; A165-M169 WeakPolarHBondContact O-CG 3.44Å; A165-M169 PolarHBondContact O-N 2.78Å; A165-M169 VanDerWaalsContact O-N 3.17Å; A165-L188 HydrophobicContact CB-CD2 4.29Å; A165-L188 HydrophobicContact CB-CG 4.32Å; A165-C191 HydrophobicContact CB-CB 3.71Å; A165-L192 HydrophobicContact CB-CD2 3.95Å
166	V	98.6	Very high	98.4	Very high	73 Å²	73	54.2 Å²	54.2	44%	0.442	28%	0.278	S	S	.	.	H	α-helix	trans	-66.4	-41.3	173.3	175.1	0	0	0	0	111.8	I162 T163 N164 E168 M169 A170 L188	I162-V166 WeakPolarHBondContact O-CG2 3.44Å; I162-V166 PolarHBondContact O-N 3.32Å; T163-V166 PolarHBondContact O-N 3.34Å; N164-V166 VanDerWaalsContact C-N 3.26Å; N164-V166 PolarHBondContact O-N 2.88Å; V166-E168 VanDerWaalsContact C-N 3.32Å; V166-E168 PolarHBondContact O-N 3.43Å; V166-M169 HydrophobicContact CB-CE 4.45Å; V166-M169 HydrophobicContact CG2-CE 4.1Å; V166-M169 PolarHBondContact O-N 2.88Å; V166-A170 WeakPolarHBondContact O-CB 3.5Å; V166-A170 PolarHBondContact O-N 3.33Å; V166-L188 HydrophobicContact CG2-CD1 4.23Å
167	R	98.4	Very high	98.3	Very high	146 Å²	146	56.9 Å²	56.9	55%	0.551	29%	0.293	S	S	*	.	H	α-helix	trans	-61.5	-39.6	175.5	-170.7	-174.3	-62.8	123.3	-2.3	112	T163 N164 A170 W171	T163-R167 WeakPolarHBondContact O-CB 3.33Å; T163-R167 PolarHBondContact O-N 3.13Å; N164-R167 CarbonylContact O-C 3.58Å; N164-R167 WeakPolarHBondContact O-CA 3.11Å; N164-R167 WeakPolarHBondContact O-CB 3.37Å; N164-R167 PolarHBondContact O-N 2.91Å; N164-R167 PolarHBondContact OD1-NH1 3Å; R167-A170 PolarHBondContact O-N 3.45Å; R167-W171 WeakPolarHBondContact O-CB 3.39Å; R167-W171 PolarHBondContact O-N 3.41Å
168	E	98.4	Very high	98.3	Very high	17 Å²	17	57.2 Å²	57.2	8%	0.079	29%	0.294	C	S	.	.	H	α-helix	trans	-63	-43.8	175.9	-67.2	-57.1	159.2	0	0	111.8	N164 A165 V166 W171 G172 C191 F313 L317 K320	N164-E168 WeakPolarHBondContact O-CG 3.36Å; N164-E168 PolarHBondContact O-N 3.02Å; A165-E168 PolarHBondContact O-N 3.05Å; V166-E168 VanDerWaalsContact C-N 3.32Å; V166-E168 PolarHBondContact O-N 3.43Å; E168-W171 WeakPolarHBondContact O-CB 3.38Å; E168-W171 PolarHBondContact O-N 2.93Å; E168-G172 PolarHBondContact O-N 3.14Å; E168-C191 HydrophobicContact CB-CB 4.47Å; E168-F313 VanDerWaalsContact O-CE2 3.32Å; E168-F313 WeakPolarHBondContact O-CE2 3.46Å; E168-L317 HydrophobicContact CB-CD1 4.16Å; E168-L317 HydrophobicContact CB-CD2 4.46Å; E168-L317 HydrophobicContact CG-CD1 3.95Å; E168-L317 WeakPolarHBondContact OE2-CD1 3.47Å; E168-K320 IonicContact OE1-NZ 3.67Å; E168-K320 PolarHBondContact OE1-NZ 2.76Å; E168-K320 WeakPolarHBondContact OE2-CE 3.45Å; E168-K320 IonicContact OE2-NZ 3.03Å; E168-K320 PolarHBondContact OE2-NZ 2.9Å
169	M	98.4	Very high	98.2	Very high	5 Å²	5	61.4 Å²	61.4	3%	0.025	31%	0.314	C	S	.	.	H	α-helix	trans	-64.8	-40	174	-67	-175.7	-68.4	0	0	112	A165 V166 G172 V173 L178 V183 L187 L188 F313	A165-M169 WeakPolarHBondContact O-CG 3.44Å; A165-M169 PolarHBondContact O-N 2.78Å; A165-M169 VanDerWaalsContact O-N 3.17Å; V166-M169 HydrophobicContact CB-CE 4.45Å; V166-M169 HydrophobicContact CG2-CE 4.1Å; V166-M169 PolarHBondContact O-N 2.88Å; M169-G172 WeakPolarHBondContact O-CA 3.41Å; M169-G172 PolarHBondContact O-N 3.49Å; M169-G172 VanDerWaalsContact O-N 3.13Å; M169-V173 PolarHBondContact O-N 3.05Å; M169-L178 HydrophobicContact CB-CD1 4.42Å; M169-V183 HydrophobicContact CE-CG1 4.09Å; M169-V183 HydrophobicContact SD-CG1 3.97Å; M169-V183 HydrophobicContact SD-CG2 4.45Å; M169-L187 HydrophobicContact CG-CD2 4.15Å; M169-L187 HydrophobicContact CG-CG 4.12Å; M169-L187 HydrophobicContact SD-CB 4.14Å; M169-L187 HydrophobicContact SD-CD2 3.88Å; M169-L187 HydrophobicContact SD-CG 3.72Å; M169-L188 HydrophobicContact CE-CB 3.95Å; M169-L188 HydrophobicContact CE-CD1 4.16Å; M169-L188 HydrophobicContact CE-CG 3.99Å; M169-L188 HydrophobicContact SD-CB 4.38Å; M169-F313 HydrophobicContact CG-CZ 4.47Å
170	A	98.5	Very high	98	Very high	57 Å²	57	57.8 Å²	57.8	47%	0.471	31%	0.313	S	S	.	.	H	α-helix	trans	-63.5	-40.8	176.5	0	0	0	0	0	112	V166 R167 G172 V173 E174	V166-A170 WeakPolarHBondContact O-CB 3.5Å; V166-A170 PolarHBondContact O-N 3.33Å; R167-A170 PolarHBondContact O-N 3.45Å; A170-G172 VanDerWaalsContact C-N 3.33Å; A170-V173 PolarHBondContact O-N 2.81Å; A170-E174 PolarHBondContact O-N 2.88Å
171	W	98.4	Very high	97.8	Very high	64 Å²	64	58 Å²	58	24%	0.242	32%	0.324	C	S	.	.	H	α-helix	trans	-59.2	-44.4	169.8	166.4	76.9	0	0	0	111.1	R167 E168 V173 E174 Q175 L177 F313 A316 K320	R167-W171 WeakPolarHBondContact O-CB 3.39Å; R167-W171 PolarHBondContact O-N 3.41Å; E168-W171 WeakPolarHBondContact O-CB 3.38Å; E168-W171 PolarHBondContact O-N 2.93Å; W171-V173 VanDerWaalsContact C-N 3.27Å; W171-V173 PolarHBondContact O-N 2.87Å; W171-E174 PolarHBondContact O-N 2.87Å; W171-E174 VanDerWaalsContact O-N 3.15Å; W171-Q175 HydrophobicContact CD2-CG 4.19Å; W171-Q175 HydrophobicContact CG-CG 4.3Å; W171-Q175 HydrophobicContact CZ2-CG 3.99Å; W171-Q175 VanDerWaalsContact NE1-CG 3.32Å; W171-Q175 VanDerWaalsContact O-CG 3.3Å; W171-Q175 WeakPolarHBondContact O-CG 3.32Å; W171-Q175 PolarHBondContact O-N 3.31Å; W171-L177 HydrophobicContact CH2-CD1 4.12Å; W171-L177 HydrophobicContact CZ3-CD1 4.39Å; W171-F313 AromaticContact CE3-CE2 3.86Å; W171-F313 HydrophobicContact CE3-CE2 3.86Å; W171-F313 HydrophobicContact CZ3-CD2 4.21Å; W171-F313 AromaticContact CZ3-CE2 3.86Å; W171-F313 HydrophobicContact CZ3-CE2 3.86Å; W171-A316 HydrophobicContact CH2-CB 4.07Å; W171-K320 HydrophobicContact CH2-CD 4.36Å; W171-K320 HydrophobicContact CZ2-CD 4.29Å
172	G	98.4	Very high	97.6	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-57.4	-37.6	174.8	0	0	0	0	0	113.5	E168 M169 A170 G176 L177 L178	E168-G172 PolarHBondContact O-N 3.14Å; M169-G172 WeakPolarHBondContact O-CA 3.41Å; M169-G172 PolarHBondContact O-N 3.49Å; M169-G172 VanDerWaalsContact O-N 3.13Å; A170-G172 VanDerWaalsContact C-N 3.33Å; G172-G176 PolarHBondContact O-N 2.65Å; G172-L177 WeakPolarHBondContact O-CA 3.35Å; G172-L177 WeakPolarHBondContact O-CB 3.35Å; G172-L177 PolarHBondContact O-N 2.87Å; G172-L178 PolarHBondContact O-N 2.81Å
173	V	98.3	Very high	97.4	Very high	48 Å²	48	59.3 Å²	59.3	29%	0.291	33%	0.333	S	S	.	.	H	α-helix	trans	-69.2	-45.1	174.2	174.1	0	0	0	0	111.5	M169 A170 W171 Q175 G176 L178 P180	M169-V173 PolarHBondContact O-N 3.05Å; A170-V173 PolarHBondContact O-N 2.81Å; W171-V173 VanDerWaalsContact C-N 3.27Å; W171-V173 PolarHBondContact O-N 2.87Å; V173-Q175 VanDerWaalsContact C-N 3.29Å; V173-Q175 PolarHBondContact O-N 3.21Å; V173-G176 PolarHBondContact O-N 2.77Å; V173-L178 WeakPolarHBondContact CA-O 3.35Å; V173-L178 HydrophobicContact CG2-CB 3.9Å; V173-P180 HydrophobicContact CG1-CG 4.05Å
174	E	98.1	Very high	97.2	Very high	153 Å²	153	57 Å²	57	72%	0.715	32%	0.321	S	S	*	.	H	α-helix	trans	-60.1	-39.2	177.5	-178	-177.5	-129.5	0	0	112.1	A170 W171 G176	A170-E174 PolarHBondContact O-N 2.88Å; W171-E174 PolarHBondContact O-N 2.87Å; W171-E174 VanDerWaalsContact O-N 3.15Å; E174-G176 PolarHBondContact O-N 2.77Å
175	Q	97.3	Very high	97	Very high	108 Å²	108	58.8 Å²	58.8	51%	0.505	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-0.5	176.6	-61.6	-55.5	-58.2	0	0	113.6	W171 V173 L177	W171-Q175 HydrophobicContact CD2-CG 4.19Å; W171-Q175 HydrophobicContact CG-CG 4.3Å; W171-Q175 HydrophobicContact CZ2-CG 3.99Å; W171-Q175 VanDerWaalsContact NE1-CG 3.32Å; W171-Q175 VanDerWaalsContact O-CG 3.3Å; W171-Q175 WeakPolarHBondContact O-CG 3.32Å; W171-Q175 PolarHBondContact O-N 3.31Å; V173-Q175 VanDerWaalsContact C-N 3.29Å; V173-Q175 PolarHBondContact O-N 3.21Å; Q175-L177 HydrophobicContact CB-CD1 4.07Å; Q175-L177 HydrophobicContact CB-CG 3.99Å; Q175-L177 PolarHBondContact O-N 3.33Å
176	G	97.1	Very high	96.7	Very high	63 Å²	63	61.8 Å²	61.8	65%	0.649	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.4	14.6	-177.6	0	0	0	0	0	114.7	G172 V173 E174	G172-G176 PolarHBondContact O-N 2.65Å; V173-G176 PolarHBondContact O-N 2.77Å; E174-G176 PolarHBondContact O-N 2.77Å
177	L	97.6	Very high	96.6	Very high	58 Å²	58	58.4 Å²	58.4	30%	0.304	33%	0.329	S	S	.	.	S	Bend	trans	-81	-27.5	177.1	-59.8	173.6	0	0	0	112	W171 G172 Q175 F313 A316	W171-L177 HydrophobicContact CH2-CD1 4.12Å; W171-L177 HydrophobicContact CZ3-CD1 4.39Å; G172-L177 WeakPolarHBondContact O-CA 3.35Å; G172-L177 WeakPolarHBondContact O-CB 3.35Å; G172-L177 PolarHBondContact O-N 2.87Å; Q175-L177 HydrophobicContact CB-CD1 4.07Å; Q175-L177 HydrophobicContact CB-CG 3.99Å; Q175-L177 PolarHBondContact O-N 3.33Å; L177-F313 HydrophobicContact CB-CB 4.18Å; L177-F313 HydrophobicContact CB-CD2 4.43Å; L177-F313 HydrophobicContact CD1-CD2 4.49Å; L177-A316 HydrophobicContact CD1-CB 3.78Å
178	L	97.9	Very high	96.6	Very high	7 Å²	7	52.4 Å²	52.4	4%	0.037	31%	0.308	C	S	.	.	S	Bend	trans	-125.1	150	178.2	-67.3	174.2	0	0	0	111.1	M169 G172 V173 D182 L187 V310 F313	M169-L178 HydrophobicContact CB-CD1 4.42Å; G172-L178 PolarHBondContact O-N 2.81Å; V173-L178 WeakPolarHBondContact CA-O 3.35Å; V173-L178 HydrophobicContact CG2-CB 3.9Å; L178-D182 HydrophobicContact CD2-CB 4.11Å; L178-L187 HydrophobicContact CD1-CD2 3.83Å; L178-L187 HydrophobicContact CD2-CD2 4.07Å; L178-V310 HydrophobicContact CD2-CG2 4.15Å; L178-F313 HydrophobicContact CD1-CB 4.3Å; L178-F313 HydrophobicContact CD1-CD1 3.8Å; L178-F313 HydrophobicContact CD1-CD2 3.69Å; L178-F313 HydrophobicContact CD1-CE1 4Å; L178-F313 HydrophobicContact CD1-CE2 3.89Å; L178-F313 HydrophobicContact CD1-CG 3.63Å; L178-F313 HydrophobicContact CD1-CZ 4.04Å; L178-F313 HydrophobicContact CD2-CB 3.7Å; L178-F313 HydrophobicContact CD2-CD1 4.19Å; L178-F313 HydrophobicContact CD2-CG 3.92Å; L178-F313 HydrophobicContact CG-CB 3.8Å; L178-F313 HydrophobicContact CG-CD1 4.22Å; L178-F313 HydrophobicContact CG-CD2 3.91Å; L178-F313 HydrophobicContact CG-CG 3.69Å
179	E	96.2	Very high	96.5	Very high	89 Å²	89	53.8 Å²	53.8	42%	0.416	32%	0.315	S	S	.	.			trans	-91.8	150.1	159.9	-68.8	171.8	-172.3	0	0	109.6	S181 D182 R309	E179-S181 PolarHBondContact O-N 3.47Å; E179-D182 PolarHBondContact N-OD2 3.33Å; E179-D182 VanDerWaalsContact O-CB 3.3Å; E179-D182 WeakPolarHBondContact O-CB 3.47Å; E179-D182 PolarHBondContact O-N 3.44Å; E179-R309 VanDerWaalsContact CD-NH2 3.27Å; E179-R309 IonicContact OE1-CZ 3.8Å; E179-R309 IonicContact OE1-NH1 3.95Å; E179-R309 PolarHBondContact OE1-NH1 3.43Å; E179-R309 IonicContact OE1-NH2 3.18Å; E179-R309 IonicContact OE2-CZ 3.78Å; E179-R309 IonicContact OE2-NH1 3.54Å; E179-R309 PolarHBondContact OE2-NH1 2.82Å; E179-R309 IonicContact OE2-NH2 3.16Å; E179-R309 PolarHBondContact OE2-NH2 3.05Å
180	P	95.8	Very high	96.5	Very high	98 Å²	98	57 Å²	57	64%	0.636	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-54.1	-29.4	175.4	-27.2	34.6	0	0	0	113.9	V173 D182 V183	V173-P180 HydrophobicContact CG1-CG 4.05Å; P180-D182 VanDerWaalsContact C-N 3.25Å; P180-D182 PolarHBondContact O-N 3.41Å; P180-V183 PolarHBondContact O-N 3.06Å
181	S	92.8	Very high	96.5	Very high	87 Å²	87	54.3 Å²	54.3	61%	0.608	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-71.3	-14	175.9	50.3	0	0	0	0	114.6	E179 V183	E179-S181 PolarHBondContact O-N 3.47Å; S181-V183 VanDerWaalsContact C-N 3.31Å
182	D	94.6	Very high	96.5	Very high	3 Å²	3	51.3 Å²	51.3	2%	0.016	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-80.9	-16.5	178.2	-59.8	-29.2	0	0	0	112.1	L178 E179 P180 S184 R306 R309 V310	L178-D182 HydrophobicContact CD2-CB 4.11Å; E179-D182 PolarHBondContact N-OD2 3.33Å; E179-D182 VanDerWaalsContact O-CB 3.3Å; E179-D182 WeakPolarHBondContact O-CB 3.47Å; E179-D182 PolarHBondContact O-N 3.44Å; P180-D182 VanDerWaalsContact C-N 3.25Å; P180-D182 PolarHBondContact O-N 3.41Å; D182-S184 PolarHBondContact O-N 3.4Å; D182-R306 HydrophobicContact CB-CG 4.25Å; D182-R306 WeakPolarHBondContact OD1-CG 3.3Å; D182-R309 IonicContact OD1-CZ 3.63Å; D182-R309 IonicContact OD1-NE 3.56Å; D182-R309 IonicContact OD1-NH2 3.63Å; D182-R309 PolarHBondContact OD1-NH2 3.48Å; D182-R309 IonicContact OD2-CZ 2.78Å; D182-R309 IonicContact OD2-NE 2.74Å; D182-R309 PolarHBondContact OD2-NE 3.1Å; D182-R309 IonicContact OD2-NH2 3.27Å; D182-R309 PolarHBondContact OD2-NH2 3.03Å; D182-V310 HydrophobicContact CB-CG2 4.35Å
183	V	95.2	Very high	96.5	Very high	69 Å²	69	53.1 Å²	53.1	42%	0.418	30%	0.303	S	S	.	.			trans	-62.9	121.1	178.2	178.6	0	0	0	0	109.9	M169 P180 S181	M169-V183 HydrophobicContact CE-CG1 4.09Å; M169-V183 HydrophobicContact SD-CG1 3.97Å; M169-V183 HydrophobicContact SD-CG2 4.45Å; P180-V183 PolarHBondContact O-N 3.06Å; S181-V183 VanDerWaalsContact C-N 3.31Å
184	S	93.9	Very high	96.5	Very high	30 Å²	30	51.3 Å²	51.3	21%	0.21	29%	0.292	C	S	.	.			trans	-147.4	165.5	-177.2	63.5	0	0	0	0	110.5	D182 S186 L187 L188	D182-S184 PolarHBondContact O-N 3.4Å; S184-S186 PolarHBondContact O-N 3.29Å; S184-L187 PolarHBondContact O-N 2.99Å; S184-L187 VanDerWaalsContact O-N 3.13Å; S184-L187 PolarHBondContact OG-N 2.9Å; S184-L188 PolarHBondContact O-N 3.13Å
185	E	94.1	Very high	96.5	Very high	59 Å²	59	45.8 Å²	45.8	28%	0.276	27%	0.268	S	S	.	.	H	α-helix	trans	-57.4	-39.4	174	-167.1	179.3	147.8	0	0	112	L188 D189 W218 Y261 R265	E185-L188 PolarHBondContact O-N 3.17Å; E185-D189 WeakPolarHBondContact O-CB 3.36Å; E185-D189 PolarHBondContact O-N 3.18Å; E185-W218 HydrophobicContact CB-CH2 4.44Å; E185-W218 HydrophobicContact CB-CZ2 4.39Å; E185-W218 HydrophobicContact CG-CH2 3.58Å; E185-W218 HydrophobicContact CG-CZ2 3.35Å; E185-Y261 VanDerWaalsContact OE1-CE1 3.24Å; E185-Y261 WeakPolarHBondContact OE1-CE1 3.4Å; E185-Y261 PolarHBondContact OE1-OH 2.74Å; E185-Y261 PolarHBondContact OE2-OH 2.78Å; E185-R265 VanDerWaalsContact OE1-CD 3.3Å; E185-R265 WeakPolarHBondContact OE1-CD 3.5Å; E185-R265 IonicContact OE1-CZ 3.47Å; E185-R265 IonicContact OE1-NE 3.7Å; E185-R265 IonicContact OE1-NH1 2.77Å; E185-R265 PolarHBondContact OE1-NH1 3.46Å; E185-R265 WeakPolarHBondContact OE2-CD 3.36Å; E185-R265 IonicContact OE2-NH1 3.21Å
186	S	92.9	Very high	96.4	Very high	64 Å²	64	45.6 Å²	45.6	45%	0.448	27%	0.266	S	S	.	.	H	α-helix	trans	-67.1	-36	176.9	-179.7	0	0	0	0	112.5	S184 K190	S184-S186 PolarHBondContact O-N 3.29Å; S186-K190 WeakPolarHBondContact O-CG 3.49Å; S186-K190 PolarHBondContact O-N 3.44Å
187	L	96.6	Very high	96.4	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.01	24%	0.239	C	C	.	.	H	α-helix	trans	-71.4	-41.6	177.1	-175.4	58.4	0	0	0	111.1	M169 L178 S184 D189 K190 C191 V310 F313 L314	M169-L187 HydrophobicContact CG-CD2 4.15Å; M169-L187 HydrophobicContact CG-CG 4.12Å; M169-L187 HydrophobicContact SD-CB 4.14Å; M169-L187 HydrophobicContact SD-CD2 3.88Å; M169-L187 HydrophobicContact SD-CG 3.72Å; L178-L187 HydrophobicContact CD1-CD2 3.83Å; L178-L187 HydrophobicContact CD2-CD2 4.07Å; S184-L187 PolarHBondContact O-N 2.99Å; S184-L187 VanDerWaalsContact O-N 3.13Å; S184-L187 PolarHBondContact OG-N 2.9Å; L187-D189 VanDerWaalsContact C-N 3.31Å; L187-D189 PolarHBondContact O-N 3.45Å; L187-K190 PolarHBondContact O-N 3.21Å; L187-C191 PolarHBondContact O-N 3.26Å; L187-C191 PolarHBondContact O-SG 3.25Å; L187-V310 HydrophobicContact CD1-CG1 3.9Å; L187-V310 HydrophobicContact CD1-CG2 4.43Å; L187-V310 HydrophobicContact CD2-CG2 4.41Å; L187-F313 HydrophobicContact CD1-CD1 3.9Å; L187-F313 HydrophobicContact CD1-CE1 3.91Å; L187-L314 HydrophobicContact CD1-CD2 4.17Å; L187-L314 HydrophobicContact CD1-CG 4.48Å
188	L	98.3	Very high	96.4	Very high	20 Å²	20	44 Å²	44	11%	0.105	25%	0.248	C	C	.	.	H	α-helix	trans	-57.3	-46.9	175.8	-167.3	157.9	0	0	0	110.5	A165 V166 M169 S184 E185 K190 C191 L192 W218	A165-L188 HydrophobicContact CB-CD2 4.29Å; A165-L188 HydrophobicContact CB-CG 4.32Å; V166-L188 HydrophobicContact CG2-CD1 4.23Å; M169-L188 HydrophobicContact CE-CB 3.95Å; M169-L188 HydrophobicContact CE-CD1 4.16Å; M169-L188 HydrophobicContact CE-CG 3.99Å; M169-L188 HydrophobicContact SD-CB 4.38Å; S184-L188 PolarHBondContact O-N 3.13Å; E185-L188 PolarHBondContact O-N 3.17Å; L188-K190 PolarHBondContact O-N 3.24Å; L188-C191 WeakPolarHBondContact O-CA 3.49Å; L188-C191 WeakPolarHBondContact O-CB 3.47Å; L188-C191 PolarHBondContact O-N 2.84Å; L188-L192 HydrophobicContact CD2-CD1 4.47Å; L188-L192 HydrophobicContact CD2-CD2 3.86Å; L188-L192 HydrophobicContact CD2-CG 4.15Å; L188-L192 PolarHBondContact O-N 3.37Å; L188-W218 HydrophobicContact CB-CH2 4.21Å; L188-W218 HydrophobicContact CB-CZ2 4.19Å; L188-W218 HydrophobicContact CD1-CH2 3.81Å; L188-W218 HydrophobicContact CD1-CZ2 4.49Å; L188-W218 HydrophobicContact CD1-CZ3 3.93Å; L188-W218 HydrophobicContact CD2-CD2 3.94Å; L188-W218 HydrophobicContact CD2-CE3 3.99Å; L188-W218 HydrophobicContact CD2-CH2 3.75Å; L188-W218 HydrophobicContact CD2-CZ2 3.69Å; L188-W218 HydrophobicContact CD2-CZ3 3.91Å; L188-W218 HydrophobicContact CG-CH2 4.13Å; L188-W218 HydrophobicContact CG-CZ2 4.33Å; L188-W218 HydrophobicContact CG-CZ3 4.49Å
189	D	97.1	Very high	96.4	Very high	45 Å²	45	46.8 Å²	46.8	24%	0.241	26%	0.261	C	S	.	.	H	α-helix	trans	-54.6	-40.2	178.5	-158.8	59.5	0	0	0	112.7	E185 L187 C191 L192 H199 W218	E185-D189 WeakPolarHBondContact O-CB 3.36Å; E185-D189 PolarHBondContact O-N 3.18Å; L187-D189 VanDerWaalsContact C-N 3.31Å; L187-D189 PolarHBondContact O-N 3.45Å; D189-C191 VanDerWaalsContact C-N 3.29Å; D189-C191 PolarHBondContact O-N 2.95Å; D189-L192 PolarHBondContact O-N 3.22Å; D189-H199 IonicContact OD1-CD2 3.86Å; D189-H199 IonicContact OD1-CE1 3.06Å; D189-H199 PolarHBondContact OD1-CE1 2.93Å; D189-H199 IonicContact OD1-NE2 3.62Å; D189-H199 PolarHBondContact OD1-NE2 3.47Å; D189-H199 IonicContact OD2-NE2 3.62Å; D189-W218 PolarHBondContact OD1-NE1 3.03Å
190	K	97.9	Very high	96.5	Very high	74 Å²	74	42.7 Å²	42.7	32%	0.322	24%	0.242	S	C	.	.	H	α-helix	trans	-75.1	-16.3	177.6	-65.1	176.9	-176	179.8	0	113.9	S186 L187 L188 N195 L314	S186-K190 WeakPolarHBondContact O-CG 3.49Å; S186-K190 PolarHBondContact O-N 3.44Å; L187-K190 PolarHBondContact O-N 3.21Å; L188-K190 PolarHBondContact O-N 3.24Å; K190-N195 WeakPolarHBondContact O-CB 3.47Å; K190-N195 PolarHBondContact O-ND2 3.06Å; K190-N195 VanDerWaalsContact O-ND2 3.09Å; K190-L314 HydrophobicContact CB-CD2 3.68Å; K190-L314 HydrophobicContact CD-CD1 3.54Å; K190-L314 HydrophobicContact CD-CD2 4.15Å
191	C	98.6	Very high	96.7	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-93	-11.1	177.1	-62.2	0	0	0	0	113.3	A165 E168 L187 L188 D189 F313 L317 R321	A165-C191 HydrophobicContact CB-CB 3.71Å; E168-C191 HydrophobicContact CB-CB 4.47Å; L187-C191 PolarHBondContact O-N 3.26Å; L187-C191 PolarHBondContact O-SG 3.25Å; L188-C191 WeakPolarHBondContact O-CA 3.49Å; L188-C191 WeakPolarHBondContact O-CB 3.47Å; L188-C191 PolarHBondContact O-N 2.84Å; D189-C191 VanDerWaalsContact C-N 3.29Å; D189-C191 PolarHBondContact O-N 2.95Å; C191-F313 VanDerWaalsContact SG-CE1 3.6Å; C191-L317 HydrophobicContact CB-CD2 4.42Å; C191-R321 PolarHBondContact O-NH2 3.14Å
192	L	98.6	Very high	97	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.188	C	C	.	.	S	Bend	trans	-62.4	163.2	173.9	-63.3	173.5	0	0	0	111.2	E161 I162 A165 L188 D189 S194 N195 W218 Q219 R321	E161-L192 HydrophobicContact CG-CB 4.27Å; E161-L192 HydrophobicContact CG-CD2 3.7Å; I162-L192 HydrophobicContact CG1-CD2 4.36Å; A165-L192 HydrophobicContact CB-CD2 3.95Å; L188-L192 HydrophobicContact CD2-CD1 4.47Å; L188-L192 HydrophobicContact CD2-CD2 3.86Å; L188-L192 HydrophobicContact CD2-CG 4.15Å; L188-L192 PolarHBondContact O-N 3.37Å; D189-L192 PolarHBondContact O-N 3.22Å; L192-S194 PolarHBondContact O-N 2.89Å; L192-N195 WeakPolarHBondContact O-CB 3.42Å; L192-N195 PolarHBondContact O-N 3.37Å; L192-W218 HydrophobicContact CD1-CB 4.39Å; L192-W218 HydrophobicContact CD1-CG 3.92Å; L192-Q219 HydrophobicContact CD1-CG 4.31Å; L192-R321 PolarHBondContact O-NH2 2.99Å
193	Y	98.3	Very high	97.2	Very high	39 Å²	39	34.9 Å²	34.9	15%	0.153	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-31.1	173.1	-55.4	-35.5	0	0	0	110.7	L121 D123 Y156 E161 N164 N195	L121-Y193 WeakPolarHBondContact CD2-O 3.44Å; D123-Y193 PolarHBondContact OD1-OH 2.79Å; Y156-Y193 HydrophobicContact CD2-CD2 4.04Å; Y156-Y193 HydrophobicContact CD2-CE2 4.5Å; Y156-Y193 HydrophobicContact CE2-CD2 4.04Å; E161-Y193 HydrophobicContact CB-CD2 3.78Å; E161-Y193 HydrophobicContact CB-CE2 3.78Å; E161-Y193 HydrophobicContact CG-CD2 3.57Å; E161-Y193 HydrophobicContact CG-CE2 3.99Å; E161-Y193 HydrophobicContact CG-CG 3.89Å; E161-Y193 WeakPolarHBondContact OE1-CA 3.29Å; E161-Y193 WeakPolarHBondContact OE1-CB 3.38Å; E161-Y193 PolarHBondContact OE1-N 3.06Å; N164-Y193 HydrophobicContact CB-CE1 4.21Å; N164-Y193 VanDerWaalsContact CB-OH 3.3Å; N164-Y193 WeakPolarHBondContact CB-OH 3.44Å; N164-Y193 WeakPolarHBondContact ND2-CE1 3.33Å; Y193-N195 VanDerWaalsContact C-N 3.28Å; Y193-N195 PolarHBondContact O-N 2.86Å
194	S	97.8	Very high	97.4	Very high	9 Å²	9	31.7 Å²	31.7	6%	0.063	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	18.7	178.4	69.2	0	0	0	0	115	E161 L192 H196 S197 Q219	E161-S194 PolarHBondContact OE1-N 2.85Å; L192-S194 PolarHBondContact O-N 2.89Å; S194-H196 PolarHBondContact O-N 2.9Å; S194-H196 VanDerWaalsContact O-N 3.14Å; S194-S197 WeakPolarHBondContact O-CB 3.45Å; S194-S197 PolarHBondContact O-N 3.45Å; S194-Q219 WeakPolarHBondContact OG-CG 3.27Å; S194-Q219 PolarHBondContact OG-NE2 2.99Å
195	N	97.3	Very high	97.6	Very high	38 Å²	38	30.4 Å²	30.4	20%	0.203	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-21	-171.5	72.7	-29.3	0	0	0	114.9	K190 L192 Y193 S197 E318 R321	K190-N195 WeakPolarHBondContact O-CB 3.47Å; K190-N195 PolarHBondContact O-ND2 3.06Å; K190-N195 VanDerWaalsContact O-ND2 3.09Å; L192-N195 WeakPolarHBondContact O-CB 3.42Å; L192-N195 PolarHBondContact O-N 3.37Å; Y193-N195 VanDerWaalsContact C-N 3.28Å; Y193-N195 PolarHBondContact O-N 2.86Å; N195-S197 VanDerWaalsContact C-N 3.26Å; N195-E318 PolarHBondContact ND2-OE1 3.09Å; N195-R321 VanDerWaalsContact CG-NH1 3.32Å; N195-R321 PolarHBondContact ND2-NH1 3.45Å
196	H	96.3	Very high	97.8	Very high	103 Å²	103	27.7 Å²	27.7	48%	0.477	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	9	175.1	-60.4	-62.6	0	0	0	113.4	R119 S194 E318	R119-H196 VanDerWaalsContact NH1-CB 3.31Å; R119-H196 PolarHBondContact NH1-O 3.41Å; S194-H196 PolarHBondContact O-N 2.9Å; S194-H196 VanDerWaalsContact O-N 3.14Å; H196-E318 IonicContact CE1-OE1 2.7Å; H196-E318 IonicContact CE1-OE2 3.59Å; H196-E318 IonicContact NE2-OE1 3.85Å; H196-E318 IonicContact NE2-OE2 3.48Å
197	S	97.4	Very high	98	Very high	12 Å²	12	25 Å²	25	8%	0.084	13%	0.128	C	C	.	.	S	Bend	trans	-127	136.9	-175.5	-59.1	0	0	0	0	109.8	E72 R119 N151 S194 N195	E72-S197 WeakPolarHBondContact OE1-CB 3.27Å; E72-S197 PolarHBondContact OE1-OG 3.47Å; R119-S197 PolarHBondContact NH1-OG 2.98Å; N151-S197 PolarHBondContact ND2-OG 3.14Å; S194-S197 WeakPolarHBondContact O-CB 3.45Å; S194-S197 PolarHBondContact O-N 3.45Å; N195-S197 VanDerWaalsContact C-N 3.26Å
198	P	97.1	Very high	97.9	Very high	76 Å²	76	26.9 Å²	26.9	49%	0.494	15%	0.148	S	C	.	.	P	Polyproline II helix	trans	-62.5	157	163.5	30.9	-34	0	0	0	109.7	H28 E72	H28-P198 HydrophobicContact CB-CG 4.42Å; H28-P198 PolarHBondContact CE1-O 2.66Å; H28-P198 PolarHBondContact ND1-O 3.35Å; E72-P198 VanDerWaalsContact OE2-CD 3.24Å; E72-P198 WeakPolarHBondContact OE2-CD 3.38Å
199	H	98.4	Very high	97.8	Very high	66 Å²	66	28.4 Å²	28.4	31%	0.306	15%	0.154	S	C	.	.	P	Polyproline II helix	trans	-56.1	140.6	171.4	-69.5	177	0	0	0	110.9	D189 D201 Q219	D189-H199 IonicContact OD1-CD2 3.86Å; D189-H199 IonicContact OD1-CE1 3.06Å; D189-H199 PolarHBondContact OD1-CE1 2.93Å; D189-H199 IonicContact OD1-NE2 3.62Å; D189-H199 PolarHBondContact OD1-NE2 3.47Å; D189-H199 IonicContact OD2-NE2 3.62Å; H199-D201 PolarHBondContact O-N 2.5Å; H199-Q219 VanDerWaalsContact CB-O 3.29Å; H199-Q219 WeakPolarHBondContact CB-O 3.38Å
200	P	98.6	Very high	97.8	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.013	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-56.4	140	178.2	-22.4	31	0	0	0	111.8	A30 L216 T220 S223	A30-P200 HydrophobicContact CB-CB 3.93Å; A30-P200 HydrophobicContact CB-CG 3.83Å; P200-L216 HydrophobicContact CG-CD1 3.98Å; P200-T220 HydrophobicContact CB-CG2 4.29Å; P200-T220 HydrophobicContact CG-CG2 3.92Å; P200-S223 WeakPolarHBondContact O-CB 3.27Å; P200-S223 PolarHBondContact O-OG 3.5Å
201	D	98.8	Very high	97.8	Very high	21 Å²	21	34.1 Å²	34.1	11%	0.112	18%	0.183	C	C	.	.	S	Bend	trans	-76.6	-33.8	169.6	-73.4	-58.3	0	0	0	111	P26 K27 H28 H199 C224 F247 R258	P26-D201 HydrophobicContact CB-CB 3.66Å; K27-D201 PolarHBondContact N-OD2 2.99Å; H28-D201 PolarHBondContact N-OD2 2.91Å; H28-D201 PolarHBondContact O-N 3.02Å; H199-D201 PolarHBondContact O-N 2.5Å; D201-C224 PolarHBondContact O-N 3.24Å; D201-F247 HydrophobicContact CB-CD2 4.17Å; D201-F247 HydrophobicContact CB-CE2 3.69Å; D201-F247 HydrophobicContact CB-CZ 4.17Å; D201-R258 IonicContact OD1-CZ 3.06Å; D201-R258 IonicContact OD1-NH1 3.56Å; D201-R258 PolarHBondContact OD1-NH1 2.7Å; D201-R258 IonicContact OD1-NH2 3.65Å
202	I	98.8	Very high	97.8	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	134.9	-179.3	-42.9	-175.5	0	0	0	109.3	P26 I29 A30 I204 C224 V226 I244 F247	P26-I202 HydrophobicContact CB-CD1 3.89Å; P26-I202 HydrophobicContact CB-CG1 3.94Å; P26-I202 HydrophobicContact CG-CD1 3.74Å; P26-I202 HydrophobicContact CG-CG1 4.35Å; I29-I202 HydrophobicContact CD1-CD1 4.11Å; I29-I202 HydrophobicContact CG1-CB 4.27Å; I29-I202 HydrophobicContact CG1-CD1 4.28Å; I29-I202 HydrophobicContact CG1-CG1 4.33Å; I29-I202 HydrophobicContact CG2-CB 4.28Å; A30-I202 PolarHBondContact N-O 2.67Å; I202-I204 HydrophobicContact CG2-CD1 4.18Å; I202-I204 HydrophobicContact CG2-CG1 3.62Å; I202-C224 CarbonylContact C-O 3.41Å; I202-C224 WeakPolarHBondContact CA-O 3.49Å; I202-C224 HydrophobicContact CG2-CB 4.5Å; I202-C224 WeakPolarHBondContact CG2-O 3.34Å; I202-V226 HydrophobicContact CG2-CB 4.47Å; I202-V226 HydrophobicContact CG2-CG2 3.83Å; I202-I244 HydrophobicContact CD1-CG1 4.32Å; I202-F247 HydrophobicContact CD1-CB 3.39Å; I202-F247 HydrophobicContact CD1-CD1 4.48Å; I202-F247 HydrophobicContact CD1-CD2 4.46Å; I202-F247 HydrophobicContact CD1-CG 3.89Å; I202-F247 HydrophobicContact CG1-CB 3.72Å; I202-F247 HydrophobicContact CG1-CD2 4Å; I202-F247 HydrophobicContact CG1-CG 3.94Å
203	L	98.9	Very high	97.7	Very high	4 Å²	4	38.4 Å²	38.4	2%	0.021	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	115.4	163.4	177.5	64.2	0	0	0	109.2	A30 I32 L212 F215 T220 C224 L225 V226	A30-L203 HydrophobicContact CB-CD1 3.65Å; I32-L203 HydrophobicContact CD1-CD1 4.36Å; I32-L203 HydrophobicContact CD1-CD2 4.47Å; I32-L203 HydrophobicContact CG1-CD1 4.18Å; L203-L212 HydrophobicContact CD2-CD2 3.59Å; L203-F215 HydrophobicContact CD1-CD1 3.69Å; L203-F215 HydrophobicContact CD1-CE1 3.69Å; L203-T220 HydrophobicContact CB-CG2 4.02Å; L203-T220 HydrophobicContact CD2-CG2 4.04Å; L203-T220 HydrophobicContact CG-CG2 4.42Å; L203-C224 PolarHBondContact N-O 3.35Å; L203-L225 HydrophobicContact CB-CD2 3.89Å; L203-L225 HydrophobicContact CD2-CD2 4.02Å; L203-L225 HydrophobicContact CG-CD2 4.45Å; L203-V226 PolarHBondContact O-N 3.4Å
204	I	98.9	Very high	97.7	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	131.4	-179.4	-57.4	174.5	0	0	0	109.3	I29 A30 F31 I32 I202 V226 Y235 L240 A243	I29-I204 HydrophobicContact CG2-CD1 3.67Å; I29-I204 HydrophobicContact CG2-CG1 4.14Å; A30-I204 PolarHBondContact O-N 2.92Å; F31-I204 CarbonylContact C-O 3.57Å; F31-I204 WeakPolarHBondContact CA-O 3.45Å; F31-I204 HydrophobicContact CD1-CB 3.84Å; F31-I204 HydrophobicContact CD1-CD1 4.14Å; F31-I204 HydrophobicContact CD1-CG1 4.5Å; F31-I204 HydrophobicContact CD1-CG2 4.1Å; F31-I204 HydrophobicContact CE1-CB 4.11Å; F31-I204 HydrophobicContact CE1-CD1 3.5Å; F31-I204 HydrophobicContact CE1-CG1 4.33Å; F31-I204 HydrophobicContact CE1-CG2 4.3Å; F31-I204 HydrophobicContact CZ-CD1 3.95Å; I32-I204 PolarHBondContact N-O 3.47Å; I202-I204 HydrophobicContact CG2-CD1 4.18Å; I202-I204 HydrophobicContact CG2-CG1 3.62Å; I204-V226 CarbonylContact C-O 3.55Å; I204-V226 WeakPolarHBondContact CA-O 3.41Å; I204-V226 HydrophobicContact CG1-CB 4.3Å; I204-Y235 HydrophobicContact CG2-CE2 4.42Å; I204-L240 HydrophobicContact CD1-CD1 4.25Å; I204-A243 HydrophobicContact CD1-CB 3.41Å; I204-A243 VanDerWaalsContact CD1-CB 3.41Å; I204-A243 HydrophobicContact CG1-CB 3.92Å
205	R	98.8	Very high	97.7	Very high	4 Å²	4	37.9 Å²	37.9	2%	0.015	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	126.3	169	176.1	167.3	-173.8	169.2	-1.4	111.2	I32 D34 E209 R211 S213 V226 F227 Q228	I32-R205 HydrophobicContact CB-CB 3.97Å; I32-R205 HydrophobicContact CB-CG 3.94Å; I32-R205 HydrophobicContact CD1-CB 4.23Å; I32-R205 HydrophobicContact CD1-CG 4.46Å; I32-R205 HydrophobicContact CG1-CB 4.49Å; I32-R205 HydrophobicContact CG2-CG 4.04Å; D34-R205 IonicContact OD2-CZ 2.8Å; D34-R205 IonicContact OD2-NE 3.43Å; D34-R205 IonicContact OD2-NH2 2.6Å; D34-R205 PolarHBondContact OD2-NH2 3.36Å; R205-E209 WeakPolarHBondContact CD-O 3.46Å; R205-E209 VanDerWaalsContact CZ-CB 3.43Å; R205-E209 VanDerWaalsContact NH2-CB 3.33Å; R205-R211 WeakPolarHBondContact CD-O 3.4Å; R205-R211 VanDerWaalsContact NH1-C 3.35Å; R205-R211 PolarHBondContact NH1-O 2.89Å; R205-S213 PolarHBondContact NH1-OG 3.03Å; R205-S213 PolarHBondContact NH2-OG 3.32Å; R205-V226 PolarHBondContact N-O 3.44Å; R205-F227 HydrophobicContact CB-CD1 3.81Å; R205-F227 HydrophobicContact CB-CE1 4.09Å; R205-F227 HydrophobicContact CG-CD1 4.32Å; R205-Q228 PolarHBondContact O-N 3.42Å
206	T	98.6	Very high	97.8	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.006	20%	0.199	C	C	.	.			trans	-84.3	174.5	174.6	52	0	0	0	0	112	I32 D34 Q228 V230 W232 Y235	I32-T206 PolarHBondContact O-N 3.1Å; I32-T206 PolarHBondContact O-OG1 3.4Å; D34-T206 PolarHBondContact N-OG1 3.19Å; D34-T206 PolarHBondContact O-OG1 2.77Å; T206-Q228 CarbonylContact C-O 3.54Å; T206-Q228 VanDerWaalsContact C-O 3.29Å; T206-Q228 WeakPolarHBondContact CA-O 3.25Å; T206-V230 VanDerWaalsContact CB-O 3.23Å; T206-V230 WeakPolarHBondContact CB-O 3.41Å; T206-V230 HydrophobicContact CG2-CG1 4.19Å; T206-W232 HydrophobicContact CG2-CE3 3.88Å; T206-Y235 HydrophobicContact CG2-CD2 3.59Å; T206-Y235 HydrophobicContact CG2-CE2 3.8Å
207	S	96.4	Very high	97.9	Very high	9 Å²	9	34.2 Å²	34.2	6%	0.063	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.3	7	173.1	78.6	0	0	0	0	118.2	D34 R38 E209 Q228 V230	D34-S207 WeakPolarHBondContact CB-OG 3.44Å; D34-S207 PolarHBondContact OD2-OG 2.78Å; R38-S207 VanDerWaalsContact CZ-CB 3.47Å; R38-S207 PolarHBondContact NH1-O 3.12Å; R38-S207 VanDerWaalsContact NH1-O 3.16Å; R38-S207 PolarHBondContact NH2-OG 2.86Å; S207-E209 VanDerWaalsContact C-N 3.29Å; S207-E209 PolarHBondContact O-N 3.48Å; S207-E209 WeakPolarHBondContact OG-CG 3.14Å; S207-Q228 PolarHBondContact N-O 3.24Å; S207-V230 WeakPolarHBondContact CA-O 3.48Å; S207-V230 PolarHBondContact N-O 3.34Å
208	G	94.3	Very high	98	Very high	41 Å²	41	36.6 Å²	36.6	42%	0.423	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.3	3.7	174.8	0	0	0	0	0	115.2	Q228	G208-Q228 PolarHBondContact N-O 2.93Å
209	E	97.1	Very high	98.1	Very high	52 Å²	52	33.1 Å²	33.1	24%	0.243	18%	0.177	C	C	.	.			trans	-80	127.3	177	-55.7	-66.7	145.1	0	0	110.8	R38 R205 S207 R211 F227	R38-E209 IonicContact CZ-OE1 3.52Å; R38-E209 IonicContact NH1-OE1 2.71Å; R38-E209 PolarHBondContact NH1-OE1 3.36Å; R38-E209 IonicContact NH2-OE1 3.44Å; R205-E209 WeakPolarHBondContact CD-O 3.46Å; R205-E209 VanDerWaalsContact CZ-CB 3.43Å; R205-E209 VanDerWaalsContact NH2-CB 3.33Å; S207-E209 VanDerWaalsContact C-N 3.29Å; S207-E209 PolarHBondContact O-N 3.48Å; S207-E209 WeakPolarHBondContact OG-CG 3.14Å; E209-R211 PolarHBondContact O-N 3.19Å; E209-R211 IonicContact OE2-CZ 3.71Å; E209-R211 IonicContact OE2-NH1 3.14Å; E209-R211 PolarHBondContact OE2-NH1 3.1Å; E209-R211 IonicContact OE2-NH2 3.15Å; E209-R211 PolarHBondContact OE2-NH2 3.41Å; E209-F227 WeakPolarHBondContact O-CD1 3.47Å
210	V	97.8	Very high	98.1	Very high	115 Å²	115	30.2 Å²	30.2	70%	0.697	16%	0.164	S	C	*	.			trans	-100.8	52.6	-176.3	-66.5	0	0	0	0	113	F227	V210-F227 HydrophobicContact CG1-CB 4.23Å; V210-F227 HydrophobicContact CG1-CD2 4.46Å; V210-F227 HydrophobicContact CG1-CG 4.18Å
211	R	98	Very high	98	Very high	123 Å²	123	33.8 Å²	33.8	46%	0.464	19%	0.188	S	C	.	.	S	Bend	trans	-141.7	166.1	175.3	70.8	-175.3	165	-76.8	-4.1	111	R205 E209	R205-R211 WeakPolarHBondContact CD-O 3.4Å; R205-R211 VanDerWaalsContact NH1-C 3.35Å; R205-R211 PolarHBondContact NH1-O 2.89Å; E209-R211 PolarHBondContact O-N 3.19Å; E209-R211 IonicContact OE2-CZ 3.71Å; E209-R211 IonicContact OE2-NH1 3.14Å; E209-R211 PolarHBondContact OE2-NH1 3.1Å; E209-R211 IonicContact OE2-NH2 3.15Å; E209-R211 PolarHBondContact OE2-NH2 3.41Å
212	L	97.7	Very high	98	Very high	41 Å²	41	35.3 Å²	35.3	22%	0.215	20%	0.195	C	C	.	.			trans	-91.3	-17.6	179.4	-56.9	-172.7	0	0	0	113.9	I32 L203 D214 F215 L217 F227	I32-L212 WeakPolarHBondContact CD1-O 3.1Å; L203-L212 HydrophobicContact CD2-CD2 3.59Å; L212-D214 VanDerWaalsContact C-N 3.27Å; L212-D214 PolarHBondContact O-N 2.95Å; L212-F215 VanDerWaalsContact O-CB 3.31Å; L212-F215 WeakPolarHBondContact O-CB 3.33Å; L212-F215 PolarHBondContact O-N 3.37Å; L212-L217 HydrophobicContact CB-CD2 3.87Å; L212-L217 HydrophobicContact CD1-CD2 3.74Å; L212-L217 HydrophobicContact CG-CD2 4.44Å; L212-F227 HydrophobicContact CD2-CE1 4.44Å; L212-F227 HydrophobicContact CD2-CZ 4.1Å
213	S	96.8	Very high	97.9	Very high	49 Å²	49	35.8 Å²	35.8	34%	0.343	20%	0.198	S	C	.	.			trans	52.1	41.9	-179	-67.4	0	0	0	0	113.8	R205 F215	R205-S213 PolarHBondContact NH1-OG 3.03Å; R205-S213 PolarHBondContact NH2-OG 3.32Å; S213-F215 PolarHBondContact O-N 3.44Å
214	D	98.1	Very high	97.9	Very high	37 Å²	37	36 Å²	36	20%	0.198	20%	0.2	C	C	.	.	S	Bend	trans	59.2	45.1	177.6	-153.6	-15.1	0	0	0	113.2	T157 S158 R159 L212	T157-D214 WeakPolarHBondContact CA-O 3.2Å; S158-D214 WeakPolarHBondContact CA-OD1 3.39Å; S158-D214 VanDerWaalsContact CB-OD1 3.27Å; S158-D214 WeakPolarHBondContact CB-OD1 3.48Å; S158-D214 PolarHBondContact N-O 3.38Å; S158-D214 PolarHBondContact N-OD1 2.98Å; R159-D214 WeakPolarHBondContact CD-OD2 3.34Å; R159-D214 WeakPolarHBondContact CG-OD2 3.39Å; R159-D214 PolarHBondContact N-OD1 2.77Å; L212-D214 VanDerWaalsContact C-N 3.27Å; L212-D214 PolarHBondContact O-N 2.95Å
215	F	98.7	Very high	97.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.22	C	C	.	.	S	Bend	trans	-120.5	124	-179.2	-172.3	-121.8	0	0	0	111.4	A30 I32 T74 Y76 C153 Y156 L203 L212 S213 L217	A30-F215 HydrophobicContact CB-CE1 4.13Å; I32-F215 HydrophobicContact CD1-CB 4.06Å; I32-F215 HydrophobicContact CD1-CD1 3.82Å; I32-F215 HydrophobicContact CD1-CG 4.33Å; I32-F215 HydrophobicContact CG1-CB 4.33Å; I32-F215 HydrophobicContact CG1-CD1 3.39Å; I32-F215 HydrophobicContact CG1-CE1 3.9Å; I32-F215 HydrophobicContact CG1-CG 4.09Å; T74-F215 HydrophobicContact CG2-CZ 4.06Å; Y76-F215 VanDerWaalsContact CB-CE2 3.49Å; Y76-F215 HydrophobicContact CD1-CB 3.58Å; Y76-F215 HydrophobicContact CD1-CD1 4.23Å; Y76-F215 AromaticContact CD1-CD2 3.32Å; Y76-F215 HydrophobicContact CD1-CD2 3.32Å; Y76-F215 HydrophobicContact CD1-CE2 4.02Å; Y76-F215 AromaticContact CD1-CG 3.45Å; Y76-F215 HydrophobicContact CD1-CG 3.45Å; Y76-F215 VanDerWaalsContact CD1-CG 3.45Å; Y76-F215 AromaticContact CD2-CD2 3.83Å; Y76-F215 HydrophobicContact CD2-CD2 3.83Å; Y76-F215 HydrophobicContact CD2-CE2 4Å; Y76-F215 HydrophobicContact CE1-CB 3.55Å; Y76-F215 AromaticContact CE1-CD2 3.72Å; Y76-F215 HydrophobicContact CE1-CD2 3.72Å; Y76-F215 AromaticContact CE1-CG 3.88Å; Y76-F215 HydrophobicContact CE1-CG 3.88Å; Y76-F215 HydrophobicContact CE2-CD2 4.18Å; Y76-F215 HydrophobicContact CG-CB 4.49Å; Y76-F215 AromaticContact CG-CD2 3.36Å; Y76-F215 HydrophobicContact CG-CD2 3.36Å; Y76-F215 AromaticContact CG-CE2 3.59Å; Y76-F215 HydrophobicContact CG-CE2 3.59Å; Y76-F215 AromaticContact CG-CG 3.92Å; Y76-F215 HydrophobicContact CG-CG 3.92Å; Y76-F215 HydrophobicContact CG-CZ 4.28Å; C153-F215 HydrophobicContact CB-CE2 3.79Å; Y156-F215 AromaticContact CD1-CD2 3.99Å; Y156-F215 HydrophobicContact CD1-CD2 3.99Å; Y156-F215 HydrophobicContact CD1-CE2 4.39Å; Y156-F215 AromaticContact CE1-CD2 3.71Å; Y156-F215 HydrophobicContact CE1-CD2 3.71Å; Y156-F215 HydrophobicContact CE1-CE2 4.24Å; L203-F215 HydrophobicContact CD1-CD1 3.69Å; L203-F215 HydrophobicContact CD1-CE1 3.69Å; L212-F215 VanDerWaalsContact O-CB 3.31Å; L212-F215 WeakPolarHBondContact O-CB 3.33Å; L212-F215 PolarHBondContact O-N 3.37Å; S213-F215 PolarHBondContact O-N 3.44Å; F215-L217 PolarHBondContact O-N 2.95Å; F215-L217 VanDerWaalsContact O-N 3.09Å
216	L	98.6	Very high	97.9	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.01	22%	0.222	C	C	.	.	S	Bend	trans	45.5	41	174.7	-60.4	178.2	0	0	0	114.2	A30 T74 Y156 P200 W218 Q219 T220	A30-L216 HydrophobicContact CB-CD1 3.66Å; T74-L216 HydrophobicContact CG2-CD1 3.91Å; Y156-L216 PolarHBondContact OH-N 3.25Å; P200-L216 HydrophobicContact CG-CD1 3.98Å; L216-W218 VanDerWaalsContact C-N 3.28Å; L216-W218 PolarHBondContact O-N 3.02Å; L216-Q219 VanDerWaalsContact C-OE1 3.26Å; L216-Q219 VanDerWaalsContact CA-OE1 3.22Å; L216-Q219 HydrophobicContact CB-CB 4.28Å; L216-Q219 HydrophobicContact CD2-CG 4.3Å; L216-Q219 PolarHBondContact O-N 3.48Å; L216-T220 HydrophobicContact CB-CG2 3.78Å; L216-T220 HydrophobicContact CD1-CG2 4.46Å; L216-T220 WeakPolarHBondContact O-CB 3.47Å; L216-T220 WeakPolarHBondContact O-CG2 3.47Å; L216-T220 PolarHBondContact O-N 2.95Å; L216-T220 PolarHBondContact O-OG1 3.32Å
217	L	98.7	Very high	97.9	Very high	63 Å²	63	43.6 Å²	43.6	33%	0.33	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-38.7	-171.8	-60.3	176.3	0	0	0	111.7	S158 L212 F215	S158-L217 WeakPolarHBondContact OG-CB 3.16Å; S158-L217 PolarHBondContact OG-N 2.83Å; L212-L217 HydrophobicContact CB-CD2 3.87Å; L212-L217 HydrophobicContact CD1-CD2 3.74Å; L212-L217 HydrophobicContact CG-CD2 4.44Å; F215-L217 PolarHBondContact O-N 2.95Å; F215-L217 VanDerWaalsContact O-N 3.09Å
218	W	98.6	Very high	98	Very high	61 Å²	61	43.3 Å²	43.3	23%	0.231	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-53.3	176.3	-178.9	-84.9	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 4.45Å; E185-W218 HydrophobicContact CB-CH2 4.44Å; E185-W218 HydrophobicContact CB-CZ2 4.39Å; E185-W218 HydrophobicContact CG-CH2 3.58Å; E185-W218 HydrophobicContact CG-CZ2 3.35Å; L188-W218 HydrophobicContact CB-CH2 4.21Å; L188-W218 HydrophobicContact CB-CZ2 4.19Å; L188-W218 HydrophobicContact CD1-CH2 3.81Å; L188-W218 HydrophobicContact CD1-CZ2 4.49Å; L188-W218 HydrophobicContact CD1-CZ3 3.93Å; L188-W218 HydrophobicContact CD2-CD2 3.94Å; L188-W218 HydrophobicContact CD2-CE3 3.99Å; L188-W218 HydrophobicContact CD2-CH2 3.75Å; L188-W218 HydrophobicContact CD2-CZ2 3.69Å; L188-W218 HydrophobicContact CD2-CZ3 3.91Å; L188-W218 HydrophobicContact CG-CH2 4.13Å; L188-W218 HydrophobicContact CG-CZ2 4.33Å; L188-W218 HydrophobicContact CG-CZ3 4.49Å; D189-W218 PolarHBondContact OD1-NE1 3.03Å; L192-W218 HydrophobicContact CD1-CB 4.39Å; L192-W218 HydrophobicContact CD1-CG 3.92Å; L216-W218 VanDerWaalsContact C-N 3.28Å; L216-W218 PolarHBondContact O-N 3.02Å; W218-T220 VanDerWaalsContact C-N 3.28Å; W218-T220 PolarHBondContact O-N 3.04Å; W218-S221 PolarHBondContact O-N 3Å; W218-S221 PolarHBondContact O-OG 3.23Å
219	Q	98.7	Very high	98.2	Very high	3 Å²	3	46.6 Å²	46.6	1%	0.014	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-25.5	-172.3	-55.6	87.9	-28.9	0	0	112.4	E161 L192 S194 H199 L216	E161-Q219 VanDerWaalsContact CD-NE2 3.34Å; E161-Q219 PolarHBondContact OE1-NE2 3.13Å; E161-Q219 PolarHBondContact OE2-NE2 3.34Å; L192-Q219 HydrophobicContact CD1-CG 4.31Å; S194-Q219 WeakPolarHBondContact OG-CG 3.27Å; S194-Q219 PolarHBondContact OG-NE2 2.99Å; H199-Q219 VanDerWaalsContact CB-O 3.29Å; H199-Q219 WeakPolarHBondContact CB-O 3.38Å; L216-Q219 VanDerWaalsContact C-OE1 3.26Å; L216-Q219 VanDerWaalsContact CA-OE1 3.22Å; L216-Q219 HydrophobicContact CB-CB 4.28Å; L216-Q219 HydrophobicContact CD2-CG 4.3Å; L216-Q219 PolarHBondContact O-N 3.48Å
220	T	98.5	Very high	98.3	Very high	6 Å²	6	45.4 Å²	45.4	4%	0.037	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	11.5	-174.8	61.9	0	0	0	0	115	P200 L203 L216 W218 H222 S223	P200-T220 HydrophobicContact CB-CG2 4.29Å; P200-T220 HydrophobicContact CG-CG2 3.92Å; L203-T220 HydrophobicContact CB-CG2 4.02Å; L203-T220 HydrophobicContact CD2-CG2 4.04Å; L203-T220 HydrophobicContact CG-CG2 4.42Å; L216-T220 HydrophobicContact CB-CG2 3.78Å; L216-T220 HydrophobicContact CD1-CG2 4.46Å; L216-T220 WeakPolarHBondContact O-CB 3.47Å; L216-T220 WeakPolarHBondContact O-CG2 3.47Å; L216-T220 PolarHBondContact O-N 2.95Å; L216-T220 PolarHBondContact O-OG1 3.32Å; W218-T220 VanDerWaalsContact C-N 3.28Å; W218-T220 PolarHBondContact O-N 3.04Å; T220-H222 PolarHBondContact O-N 3.15Å; T220-H222 VanDerWaalsContact O-N 3.15Å; T220-S223 VanDerWaalsContact CA-OG 3.26Å; T220-S223 WeakPolarHBondContact CA-OG 3.38Å; T220-S223 PolarHBondContact O-N 3.09Å
221	S	97.8	Very high	98.3	Very high	76 Å²	76	41 Å²	41	53%	0.531	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-30.3	179.3	59.8	0	0	0	0	114.1	W218	W218-S221 PolarHBondContact O-N 3Å; W218-S221 PolarHBondContact O-OG 3.23Å
222	H	97.6	Very high	98.4	Very high	54 Å²	54	35.1 Å²	35.1	25%	0.25	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.2	27.6	179.2	-63.8	81.1	0	0	0	112.6	T220 R258 Y261	T220-H222 PolarHBondContact O-N 3.15Å; T220-H222 VanDerWaalsContact O-N 3.15Å; H222-R258 HydrophobicContact CB-CG 3.6Å; H222-Y261 AromaticContact CE1-CG 3.96Å
223	S	98.4	Very high	98.4	Very high	10 Å²	10	33.8 Å²	33.8	7%	0.07	19%	0.189	C	C	.	.	S	Bend	trans	-89.8	159.3	174.7	-54.4	0	0	0	0	111.5	P200 T220 L225	P200-S223 WeakPolarHBondContact O-CB 3.27Å; P200-S223 PolarHBondContact O-OG 3.5Å; T220-S223 VanDerWaalsContact CA-OG 3.26Å; T220-S223 WeakPolarHBondContact CA-OG 3.38Å; T220-S223 PolarHBondContact O-N 3.09Å; S223-L225 PolarHBondContact O-N 3.05Å
224	C	98.6	Very high	98.4	Very high	7 Å²	7	34.4 Å²	34.4	5%	0.047	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	116.6	166.2	-174.6	0	0	0	0	109.7	D201 I202 L203 F247 L254	D201-C224 PolarHBondContact O-N 3.24Å; I202-C224 CarbonylContact C-O 3.41Å; I202-C224 WeakPolarHBondContact CA-O 3.49Å; I202-C224 HydrophobicContact CG2-CB 4.5Å; I202-C224 WeakPolarHBondContact CG2-O 3.34Å; L203-C224 PolarHBondContact N-O 3.35Å; C224-F247 HydrophobicContact CB-CB 4.2Å; C224-F247 HydrophobicContact CB-CD2 4.17Å; C224-L254 HydrophobicContact CB-CD1 3.82Å
225	L	98.8	Very high	98.5	Very high	82 Å²	82	32.6 Å²	32.6	43%	0.429	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	122.9	177.3	-53.3	-175.1	0	0	0	110	L203 S223 F227	L203-L225 HydrophobicContact CB-CD2 3.89Å; L203-L225 HydrophobicContact CD2-CD2 4.02Å; L203-L225 HydrophobicContact CG-CD2 4.45Å; S223-L225 PolarHBondContact O-N 3.05Å; L225-F227 HydrophobicContact CB-CE2 4.06Å; L225-F227 HydrophobicContact CB-CZ 4.47Å
226	V	98.8	Very high	98.5	Very high	10 Å²	10	35.1 Å²	35.1	6%	0.061	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	113.5	-178.6	-177.9	0	0	0	0	109.6	I202 L203 I204 R205 Q228 A243 Q246	I202-V226 HydrophobicContact CG2-CB 4.47Å; I202-V226 HydrophobicContact CG2-CG2 3.83Å; L203-V226 PolarHBondContact O-N 3.4Å; I204-V226 CarbonylContact C-O 3.55Å; I204-V226 WeakPolarHBondContact CA-O 3.41Å; I204-V226 HydrophobicContact CG1-CB 4.3Å; R205-V226 PolarHBondContact N-O 3.44Å; V226-Q228 HydrophobicContact CG1-CG 3.95Å; V226-A243 HydrophobicContact CB-CB 4.32Å; V226-A243 HydrophobicContact CG1-CB 3.9Å; V226-A243 HydrophobicContact CG2-CB 4.26Å; V226-Q246 HydrophobicContact CG2-CB 3.99Å
227	F	98.8	Very high	98.4	Very high	75 Å²	75	35.1 Å²	35.1	33%	0.329	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	118.7	176.5	-59.8	-77.6	0	0	0	109.6	R205 E209 V210 L212 L225	R205-F227 HydrophobicContact CB-CD1 3.81Å; R205-F227 HydrophobicContact CB-CE1 4.09Å; R205-F227 HydrophobicContact CG-CD1 4.32Å; E209-F227 WeakPolarHBondContact O-CD1 3.47Å; V210-F227 HydrophobicContact CG1-CB 4.23Å; V210-F227 HydrophobicContact CG1-CD2 4.46Å; V210-F227 HydrophobicContact CG1-CG 4.18Å; L212-F227 HydrophobicContact CD2-CE1 4.44Å; L212-F227 HydrophobicContact CD2-CZ 4.1Å; L225-F227 HydrophobicContact CB-CE2 4.06Å; L225-F227 HydrophobicContact CB-CZ 4.47Å
228	Q	98.6	Very high	98.4	Very high	3 Å²	3	38 Å²	38	1%	0.014	20%	0.199	C	C	.	.			trans	-118	137.6	-177.7	-71.1	167.4	-49.9	0	0	110.9	R205 T206 S207 G208 V226 V230 Y235 N239 E242	R205-Q228 PolarHBondContact O-N 3.42Å; T206-Q228 CarbonylContact C-O 3.54Å; T206-Q228 VanDerWaalsContact C-O 3.29Å; T206-Q228 WeakPolarHBondContact CA-O 3.25Å; S207-Q228 PolarHBondContact N-O 3.24Å; G208-Q228 PolarHBondContact N-O 2.93Å; V226-Q228 HydrophobicContact CG1-CG 3.95Å; Q228-V230 VanDerWaalsContact C-N 3.27Å; Q228-V230 HydrophobicContact CB-CG1 4.03Å; Q228-V230 PolarHBondContact O-N 3.13Å; Q228-Y235 VanDerWaalsContact OE1-CE2 3.26Å; Q228-Y235 PolarHBondContact OE1-OH 2.86Å; Q228-Y235 VanDerWaalsContact OE1-OH 3.06Å; Q228-N239 PolarHBondContact NE2-O 3.26Å; Q228-E242 PolarHBondContact NE2-OE2 3.42Å
229	P	98.3	Very high	98.4	Very high	109 Å²	109	36.6 Å²	36.6	71%	0.708	20%	0.195	S	C	*	.			trans	-71	-21	-177.5	27.9	-34.4	0	0	0	113.6
230	V	98.6	Very high	98.4	Very high	27 Å²	27	36.4 Å²	36.4	16%	0.164	20%	0.195	C	C	.	.	S	Bend	trans	-55.9	138.5	-179.5	65.6	0	0	0	0	111.4	T206 S207 Q228 E234 Y235	T206-V230 VanDerWaalsContact CB-O 3.23Å; T206-V230 WeakPolarHBondContact CB-O 3.41Å; T206-V230 HydrophobicContact CG2-CG1 4.19Å; S207-V230 WeakPolarHBondContact CA-O 3.48Å; S207-V230 PolarHBondContact N-O 3.34Å; Q228-V230 VanDerWaalsContact C-N 3.27Å; Q228-V230 HydrophobicContact CB-CG1 4.03Å; Q228-V230 PolarHBondContact O-N 3.13Å; V230-E234 HydrophobicContact CG2-CB 3.93Å; V230-Y235 HydrophobicContact CG1-CD2 3.6Å; V230-Y235 HydrophobicContact CG1-CE2 4.01Å
231	L	98.6	Very high	98.4	Very high	22 Å²	22	36.5 Å²	36.5	12%	0.115	20%	0.195	C	C	.	.			trans	-75	143.5	174	-58.4	178.6	0	0	0	109.7	R38 K42 E234 Y235	R38-L231 HydrophobicContact CB-CD1 4.09Å; R38-L231 HydrophobicContact CB-CD2 3.92Å; K42-L231 HydrophobicContact CD-CD1 4.3Å; L231-E234 HydrophobicContact CB-CG 4.41Å; L231-E234 WeakPolarHBondContact O-CA 3.49Å; L231-E234 WeakPolarHBondContact O-CB 3.33Å; L231-E234 PolarHBondContact O-N 2.96Å; L231-Y235 PolarHBondContact O-N 3.04Å
232	W	98.6	Very high	98.4	Very high	1 Å²	1	37.2 Å²	37.2	0%	0.004	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-50.7	-49.1	-174.2	174	-106	0	0	0	114.4	F31 M33 D34 G54 K57 L58 T61 T206 E234 Y235	F31-W232 HydrophobicContact CB-CZ3 4.37Å; F31-W232 HydrophobicContact CD1-CH2 4.22Å; F31-W232 AromaticContact CD1-CZ3 3.79Å; F31-W232 HydrophobicContact CD1-CZ3 3.79Å; F31-W232 HydrophobicContact CE1-CZ3 4.4Å; F31-W232 HydrophobicContact CG-CH2 4.39Å; F31-W232 HydrophobicContact CG-CZ3 4.29Å; M33-W232 HydrophobicContact CB-CB 4.43Å; M33-W232 HydrophobicContact CB-CD2 3.59Å; M33-W232 HydrophobicContact CB-CE3 4.1Å; M33-W232 HydrophobicContact CB-CG 3.71Å; M33-W232 HydrophobicContact CB-CZ2 4.29Å; M33-W232 HydrophobicContact CG-CD2 3.67Å; M33-W232 VanDerWaalsContact CG-CE2 3.45Å; M33-W232 HydrophobicContact CG-CE3 3.91Å; M33-W232 HydrophobicContact CG-CG 4.32Å; M33-W232 HydrophobicContact CG-CH2 3.79Å; M33-W232 HydrophobicContact CG-CZ2 3.52Å; M33-W232 HydrophobicContact CG-CZ3 3.98Å; M33-W232 HydrophobicContact SD-CD2 4.35Å; M33-W232 VanDerWaalsContact SD-CE2 3.51Å; M33-W232 HydrophobicContact SD-CH2 3.99Å; M33-W232 HydrophobicContact SD-CZ2 3.29Å; M33-W232 WeakPolarHBondContact SD-CZ2 3.35Å; D34-W232 WeakPolarHBondContact O-CB 3.49Å; D34-W232 PolarHBondContact O-N 3.44Å; G54-W232 VanDerWaalsContact CA-CD1 3.45Å; G54-W232 PolarHBondContact O-NE1 2.86Å; K57-W232 HydrophobicContact CB-CZ2 4.45Å; K57-W232 HydrophobicContact CG-CZ2 4.23Å; K57-W232 WeakPolarHBondContact CG-O 3.26Å; L58-W232 HydrophobicContact CB-CZ2 4.11Å; T61-W232 HydrophobicContact CG2-CH2 4.33Å; T206-W232 HydrophobicContact CG2-CE3 3.88Å; W232-E234 PolarHBondContact O-N 3.32Å; W232-Y235 HydrophobicContact CE3-CG 4.42Å; W232-Y235 HydrophobicContact CZ3-CD1 4.32Å; W232-Y235 HydrophobicContact CZ3-CG 4.32Å; W232-Y235 VanDerWaalsContact O-CB 3.23Å; W232-Y235 WeakPolarHBondContact O-CB 3.29Å; W232-Y235 PolarHBondContact O-N 2.56Å
233	P	98	Very high	98.5	Very high	12 Å²	12	34.7 Å²	34.7	8%	0.078	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-62.9	-17	-179.9	-25	37.9	0	0	0	114.5	N36 Y39 Q53 K57	N36-P233 VanDerWaalsContact OD1-CD 3.31Å; N36-P233 WeakPolarHBondContact OD1-CD 3.3Å; N36-P233 VanDerWaalsContact OD1-CG 3.26Å; N36-P233 WeakPolarHBondContact OD1-CG 3.49Å; Y39-P233 HydrophobicContact CD1-CB 3.6Å; Y39-P233 HydrophobicContact CD1-CG 3.62Å; Y39-P233 HydrophobicContact CD2-CB 3.89Å; Y39-P233 HydrophobicContact CD2-CG 4.33Å; Y39-P233 HydrophobicContact CE1-CB 3.76Å; Y39-P233 HydrophobicContact CE1-CG 4.26Å; Y39-P233 HydrophobicContact CE2-CB 4.03Å; Y39-P233 HydrophobicContact CG-CB 3.65Å; Y39-P233 HydrophobicContact CG-CG 3.66Å; Q53-P233 HydrophobicContact CB-CB 4.13Å; K57-P233 WeakPolarHBondContact CE-O 3.34Å
234	E	98.3	Very high	98.5	Very high	62 Å²	62	34.3 Å²	34.3	29%	0.29	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-95.7	2.7	178.8	-54.4	-175.1	126.9	0	0	112.8	Y39 K42 V230 L231 W232 T236	Y39-E234 HydrophobicContact CD2-CG 3.52Å; Y39-E234 HydrophobicContact CE2-CG 3.65Å; K42-E234 VanDerWaalsContact NZ-CD 3.26Å; K42-E234 IonicContact NZ-OE1 2.77Å; K42-E234 PolarHBondContact NZ-OE1 3.17Å; K42-E234 IonicContact NZ-OE2 3.62Å; K42-E234 PolarHBondContact NZ-OE2 3.12Å; V230-E234 HydrophobicContact CG2-CB 3.93Å; L231-E234 HydrophobicContact CB-CG 4.41Å; L231-E234 WeakPolarHBondContact O-CA 3.49Å; L231-E234 WeakPolarHBondContact O-CB 3.33Å; L231-E234 PolarHBondContact O-N 2.96Å; W232-E234 PolarHBondContact O-N 3.32Å; E234-T236 WeakPolarHBondContact O-CG2 3.47Å
235	Y	98.6	Very high	98.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.194	C	C	.	.			trans	-59.1	140.5	-177	-157.2	-107.4	0	0	0	111.9	F31 K57 T61 W64 I204 T206 Q228 V230 L231 W232 N239 L240	F31-Y235 HydrophobicContact CE1-CE1 4.08Å; K57-Y235 VanDerWaalsContact CD-O 3.23Å; K57-Y235 WeakPolarHBondContact CD-O 3.31Å; K57-Y235 WeakPolarHBondContact CE-O 3.36Å; K57-Y235 PolarHBondContact NZ-O 3.41Å; T61-Y235 HydrophobicContact CG2-CE1 4.49Å; W64-Y235 HydrophobicContact CZ3-CD1 4.31Å; I204-Y235 HydrophobicContact CG2-CE2 4.42Å; T206-Y235 HydrophobicContact CG2-CD2 3.59Å; T206-Y235 HydrophobicContact CG2-CE2 3.8Å; Q228-Y235 VanDerWaalsContact OE1-CE2 3.26Å; Q228-Y235 PolarHBondContact OE1-OH 2.86Å; Q228-Y235 VanDerWaalsContact OE1-OH 3.06Å; V230-Y235 HydrophobicContact CG1-CD2 3.6Å; V230-Y235 HydrophobicContact CG1-CE2 4.01Å; L231-Y235 PolarHBondContact O-N 3.04Å; W232-Y235 HydrophobicContact CE3-CG 4.42Å; W232-Y235 HydrophobicContact CZ3-CD1 4.32Å; W232-Y235 HydrophobicContact CZ3-CG 4.32Å; W232-Y235 VanDerWaalsContact O-CB 3.23Å; W232-Y235 WeakPolarHBondContact O-CB 3.29Å; W232-Y235 PolarHBondContact O-N 2.56Å; Y235-N239 HydrophobicContact CD2-CB 3.85Å; Y235-N239 HydrophobicContact CE1-CB 4.15Å; Y235-N239 HydrophobicContact CE2-CB 3.42Å; Y235-N239 VanDerWaalsContact CE2-CB 3.42Å; Y235-N239 HydrophobicContact CG-CB 4.36Å; Y235-N239 PolarHBondContact OH-O 2.9Å; Y235-L240 HydrophobicContact CE1-CB 4.1Å; Y235-L240 PolarHBondContact OH-N 3.44Å
236	T	98.4	Very high	98.4	Very high	53 Å²	53	37.8 Å²	37.8	33%	0.325	19%	0.191	S	C	.	.			trans	-124.6	163.5	-176.4	71	0	0	0	0	111.7	W64 E234 W238 N239 L240	W64-T236 VanDerWaalsContact CZ3-C 3.46Å; E234-T236 WeakPolarHBondContact O-CG2 3.47Å; T236-W238 PolarHBondContact O-N 3.23Å; T236-W238 PolarHBondContact OG1-N 3.39Å; T236-N239 PolarHBondContact N-OD1 3.36Å; T236-N239 WeakPolarHBondContact O-CB 3.39Å; T236-N239 PolarHBondContact O-N 3.22Å; T236-N239 VanDerWaalsContact O-N 3.1Å; T236-N239 PolarHBondContact OG1-N 3.43Å; T236-N239 PolarHBondContact OG1-OD1 2.77Å; T236-L240 PolarHBondContact O-N 2.88Å
237	F	97.9	Very high	98.4	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.009	19%	0.189	C	C	.	.	H	α-helix	trans	-52.7	-37.8	170.5	178	-95.6	0	0	0	111.8	L9 E13 A17 W64 L68 N239 L240 C241	L9-F237 HydrophobicContact CD1-CE2 4.11Å; L9-F237 HydrophobicContact CD1-CZ 4.28Å; L9-F237 HydrophobicContact CD2-CD2 4.02Å; L9-F237 HydrophobicContact CD2-CE2 3.7Å; L9-F237 HydrophobicContact CD2-CZ 4.44Å; E13-F237 HydrophobicContact CB-CD1 3.86Å; E13-F237 HydrophobicContact CB-CE1 3.55Å; E13-F237 HydrophobicContact CB-CE2 4.33Å; E13-F237 HydrophobicContact CB-CG 4.34Å; E13-F237 HydrophobicContact CB-CZ 3.81Å; E13-F237 HydrophobicContact CG-CB 4.4Å; E13-F237 HydrophobicContact CG-CD1 3.47Å; E13-F237 VanDerWaalsContact CG-CD1 3.47Å; E13-F237 HydrophobicContact CG-CD2 4.49Å; E13-F237 HydrophobicContact CG-CE1 3.72Å; E13-F237 HydrophobicContact CG-CG 3.87Å; E13-F237 HydrophobicContact CG-CZ 4.35Å; E13-F237 WeakPolarHBondContact O-CZ 3.3Å; E13-F237 WeakPolarHBondContact OE1-CB 3.36Å; A17-F237 HydrophobicContact CB-CZ 4.44Å; W64-F237 HydrophobicContact CB-CD2 4.1Å; W64-F237 AromaticContact CD1-CD2 3.79Å; W64-F237 HydrophobicContact CD2-CB 4.14Å; W64-F237 HydrophobicContact CD2-CD2 4.31Å; W64-F237 AromaticContact CG-CD2 3.84Å; W64-F237 HydrophobicContact CG-CD2 3.84Å; W64-F237 HydrophobicContact CZ2-CB 4.21Å; L68-F237 HydrophobicContact CD1-CE2 4.04Å; L68-F237 HydrophobicContact CD2-CE2 4.23Å; L68-F237 HydrophobicContact CD2-CZ 4.27Å; L68-F237 HydrophobicContact CG-CE2 4.24Å; F237-N239 VanDerWaalsContact C-N 3.35Å; F237-N239 PolarHBondContact O-N 2.96Å; F237-L240 WeakPolarHBondContact O-CB 3.34Å; F237-L240 PolarHBondContact O-N 3.34Å; F237-L240 VanDerWaalsContact O-N 3.14Å; F237-C241 WeakPolarHBondContact CE1-SG 3.18Å; F237-C241 WeakPolarHBondContact CZ-SG 3.47Å; F237-C241 PolarHBondContact O-N 2.99Å
238	W	98.3	Very high	98.4	Very high	124 Å²	124	35.7 Å²	35.7	47%	0.47	18%	0.182	S	C	.	.	H	α-helix	trans	-67.1	-34.2	-179.8	-50.7	116.1	0	0	0	112.9	W12 E13 C16 T236 L240 C241 E242	W12-W238 HydrophobicContact CB-CH2 4.01Å; W12-W238 HydrophobicContact CB-CZ2 4.47Å; E13-W238 HydrophobicContact CG-CH2 4.01Å; E13-W238 HydrophobicContact CG-CZ2 3.97Å; C16-W238 HydrophobicContact CB-CZ3 4.2Å; T236-W238 PolarHBondContact O-N 3.23Å; T236-W238 PolarHBondContact OG1-N 3.39Å; W238-L240 VanDerWaalsContact C-N 3.34Å; W238-C241 PolarHBondContact O-N 3.06Å; W238-E242 WeakPolarHBondContact O-CB 3.25Å; W238-E242 PolarHBondContact O-N 2.86Å
239	N	98.7	Very high	98.4	Very high	30 Å²	30	42.7 Å²	42.7	16%	0.16	22%	0.217	C	C	.	.	H	α-helix	trans	-66.1	-39.2	172.4	-59.2	114.2	0	0	0	111.1	Q228 Y235 T236 F237 E242 A243	Q228-N239 PolarHBondContact NE2-O 3.26Å; Y235-N239 HydrophobicContact CD2-CB 3.85Å; Y235-N239 HydrophobicContact CE1-CB 4.15Å; Y235-N239 HydrophobicContact CE2-CB 3.42Å; Y235-N239 VanDerWaalsContact CE2-CB 3.42Å; Y235-N239 HydrophobicContact CG-CB 4.36Å; Y235-N239 PolarHBondContact OH-O 2.9Å; T236-N239 PolarHBondContact N-OD1 3.36Å; T236-N239 WeakPolarHBondContact O-CB 3.39Å; T236-N239 PolarHBondContact O-N 3.22Å; T236-N239 VanDerWaalsContact O-N 3.1Å; T236-N239 PolarHBondContact OG1-N 3.43Å; T236-N239 PolarHBondContact OG1-OD1 2.77Å; F237-N239 VanDerWaalsContact C-N 3.35Å; F237-N239 PolarHBondContact O-N 2.96Å; N239-E242 PolarHBondContact O-N 3.48Å; N239-A243 PolarHBondContact O-N 2.86Å
240	L	98.6	Very high	98.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-63.6	-44	173.6	-178.6	57.5	0	0	0	111.6	I29 F31 W64 L68 I204 Y235 T236 F237 W238 E242 A243 I244	I29-L240 HydrophobicContact CD1-CD1 3.94Å; F31-L240 HydrophobicContact CZ-CD1 4.04Å; W64-L240 HydrophobicContact CB-CD2 3.78Å; L68-L240 HydrophobicContact CD1-CD2 3.8Å; L68-L240 HydrophobicContact CD1-CG 4.21Å; I204-L240 HydrophobicContact CD1-CD1 4.25Å; Y235-L240 HydrophobicContact CE1-CB 4.1Å; Y235-L240 PolarHBondContact OH-N 3.44Å; T236-L240 PolarHBondContact O-N 2.88Å; F237-L240 WeakPolarHBondContact O-CB 3.34Å; F237-L240 PolarHBondContact O-N 3.34Å; F237-L240 VanDerWaalsContact O-N 3.14Å; W238-L240 VanDerWaalsContact C-N 3.34Å; L240-E242 PolarHBondContact O-N 3.18Å; L240-A243 PolarHBondContact O-N 2.71Å; L240-I244 HydrophobicContact CD1-CD1 4.26Å; L240-I244 HydrophobicContact CD1-CG1 4.46Å; L240-I244 HydrophobicContact CG-CD1 4.06Å; L240-I244 WeakPolarHBondContact O-CG1 3.19Å; L240-I244 PolarHBondContact O-N 2.81Å
241	C	98.1	Very high	98.3	Very high	7 Å²	7	42 Å²	42	5%	0.047	20%	0.204	C	C	.	.	H	α-helix	trans	-60.2	-43.7	175	-73.3	0	0	0	0	112.6	I20 F237 W238 A243 I244 L245	I20-C241 HydrophobicContact CD1-CB 3.82Å; F237-C241 WeakPolarHBondContact CE1-SG 3.18Å; F237-C241 WeakPolarHBondContact CZ-SG 3.47Å; F237-C241 PolarHBondContact O-N 2.99Å; W238-C241 PolarHBondContact O-N 3.06Å; C241-A243 VanDerWaalsContact C-N 3.31Å; C241-A243 PolarHBondContact O-N 3.43Å; C241-I244 PolarHBondContact O-N 3.11Å; C241-L245 WeakPolarHBondContact O-CG 3.49Å; C241-L245 PolarHBondContact O-N 2.74Å
242	E	98.3	Very high	98.3	Very high	92 Å²	92	43.4 Å²	43.4	43%	0.43	22%	0.224	S	C	.	.	H	α-helix	trans	-57.2	-45.2	174.5	179	-174.9	-139.8	0	0	111.2	Q228 W238 N239 L240 I244 L245 Q246	Q228-E242 PolarHBondContact NE2-OE2 3.42Å; W238-E242 WeakPolarHBondContact O-CB 3.25Å; W238-E242 PolarHBondContact O-N 2.86Å; N239-E242 PolarHBondContact O-N 3.48Å; L240-E242 PolarHBondContact O-N 3.18Å; E242-I244 VanDerWaalsContact C-N 3.34Å; E242-I244 PolarHBondContact O-N 2.86Å; E242-L245 PolarHBondContact O-N 3.42Å; E242-Q246 WeakPolarHBondContact O-CG 3.34Å; E242-Q246 PolarHBondContact O-N 3.21Å
243	A	98.6	Very high	98.3	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-63.7	-39.4	178.1	0	0	0	0	0	112.4	I204 V226 N239 L240 C241 Q246 F247	I204-A243 HydrophobicContact CD1-CB 3.41Å; I204-A243 VanDerWaalsContact CD1-CB 3.41Å; I204-A243 HydrophobicContact CG1-CB 3.92Å; V226-A243 HydrophobicContact CB-CB 4.32Å; V226-A243 HydrophobicContact CG1-CB 3.9Å; V226-A243 HydrophobicContact CG2-CB 4.26Å; N239-A243 PolarHBondContact O-N 2.86Å; L240-A243 PolarHBondContact O-N 2.71Å; C241-A243 VanDerWaalsContact C-N 3.31Å; C241-A243 PolarHBondContact O-N 3.43Å; A243-Q246 PolarHBondContact O-N 3.48Å; A243-F247 PolarHBondContact O-N 2.78Å
244	I	98.6	Very high	98.3	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.01	26%	0.257	C	S	.	.	H	α-helix	trans	-67.6	-39.7	175.9	-63.5	164.6	0	0	0	110.9	I20 P26 I29 L68 I70 I202 L240 C241 E242 Q246 F247 Q248	I20-I244 HydrophobicContact CG2-CB 4.38Å; I20-I244 HydrophobicContact CG2-CG2 3.44Å; I20-I244 VanDerWaalsContact CG2-CG2 3.44Å; P26-I244 HydrophobicContact CG-CG1 4.18Å; I29-I244 HydrophobicContact CD1-CG1 4.43Å; L68-I244 HydrophobicContact CD1-CD1 3.69Å; I70-I244 HydrophobicContact CD1-CD1 3.91Å; I202-I244 HydrophobicContact CD1-CG1 4.32Å; L240-I244 HydrophobicContact CD1-CD1 4.26Å; L240-I244 HydrophobicContact CD1-CG1 4.46Å; L240-I244 HydrophobicContact CG-CD1 4.06Å; L240-I244 WeakPolarHBondContact O-CG1 3.19Å; L240-I244 PolarHBondContact O-N 2.81Å; C241-I244 PolarHBondContact O-N 3.11Å; E242-I244 VanDerWaalsContact C-N 3.34Å; E242-I244 PolarHBondContact O-N 2.86Å; I244-Q246 VanDerWaalsContact C-N 3.33Å; I244-Q246 PolarHBondContact O-N 3.42Å; I244-F247 WeakPolarHBondContact O-CB 3.24Å; I244-F247 PolarHBondContact O-N 2.92Å; I244-Q248 HydrophobicContact CG2-CG 4.38Å; I244-Q248 WeakPolarHBondContact O-CG 3.46Å; I244-Q248 PolarHBondContact O-N 2.96Å
245	L	98.3	Very high	98.2	Very high	83 Å²	83	47.9 Å²	47.9	44%	0.435	26%	0.257	S	S	.	.	H	α-helix	trans	-61.3	-42.8	174.9	-74.8	170	0	0	0	111.3	I20 C241 E242 F247 Q248 M249	I20-L245 HydrophobicContact CG1-CD2 4.43Å; C241-L245 WeakPolarHBondContact O-CG 3.49Å; C241-L245 PolarHBondContact O-N 2.74Å; E242-L245 PolarHBondContact O-N 3.42Å; L245-F247 VanDerWaalsContact C-N 3.31Å; L245-F247 PolarHBondContact O-N 3.38Å; L245-Q248 PolarHBondContact O-N 3.28Å; L245-Q248 VanDerWaalsContact O-N 3.16Å; L245-M249 VanDerWaalsContact O-CG 3.3Å; L245-M249 WeakPolarHBondContact O-CG 3.48Å; L245-M249 PolarHBondContact O-N 3.25Å
246	Q	98.3	Very high	98.2	Very high	79 Å²	79	54.6 Å²	54.6	37%	0.369	29%	0.286	S	S	.	.	H	α-helix	trans	-58.3	-43.7	173.5	-71.6	-67.8	-10	0	0	111.7	V226 E242 A243 I244 M249 N250	V226-Q246 HydrophobicContact CG2-CB 3.99Å; E242-Q246 WeakPolarHBondContact O-CG 3.34Å; E242-Q246 PolarHBondContact O-N 3.21Å; A243-Q246 PolarHBondContact O-N 3.48Å; I244-Q246 VanDerWaalsContact C-N 3.33Å; I244-Q246 PolarHBondContact O-N 3.42Å; Q246-M249 PolarHBondContact O-N 3.41Å; Q246-N250 PolarHBondContact O-N 3.45Å; Q246-N250 VanDerWaalsContact O-N 3.09Å; Q246-N250 PolarHBondContact O-ND2 2.94Å
247	F	98.6	Very high	98.2	Very high	2 Å²	2	54 Å²	54	1%	0.009	29%	0.287	C	S	.	.	H	α-helix	trans	-60.2	-46.6	173.4	164.9	-99.8	0	0	0	112.2	P24 P26 D201 I202 C224 A243 I244 L245 M249 N250 H251	P24-F247 HydrophobicContact CB-CE1 4.23Å; P24-F247 WeakPolarHBondContact O-CE1 3.27Å; P26-F247 HydrophobicContact CB-CD1 4.29Å; P26-F247 HydrophobicContact CB-CE1 4.19Å; P26-F247 HydrophobicContact CB-CZ 4.42Å; P26-F247 HydrophobicContact CG-CD1 4.45Å; D201-F247 HydrophobicContact CB-CD2 4.17Å; D201-F247 HydrophobicContact CB-CE2 3.69Å; D201-F247 HydrophobicContact CB-CZ 4.17Å; I202-F247 HydrophobicContact CD1-CB 3.39Å; I202-F247 HydrophobicContact CD1-CD1 4.48Å; I202-F247 HydrophobicContact CD1-CD2 4.46Å; I202-F247 HydrophobicContact CD1-CG 3.89Å; I202-F247 HydrophobicContact CG1-CB 3.72Å; I202-F247 HydrophobicContact CG1-CD2 4Å; I202-F247 HydrophobicContact CG1-CG 3.94Å; C224-F247 HydrophobicContact CB-CB 4.2Å; C224-F247 HydrophobicContact CB-CD2 4.17Å; A243-F247 PolarHBondContact O-N 2.78Å; I244-F247 WeakPolarHBondContact O-CB 3.24Å; I244-F247 PolarHBondContact O-N 2.92Å; L245-F247 VanDerWaalsContact C-N 3.31Å; L245-F247 PolarHBondContact O-N 3.38Å; F247-M249 VanDerWaalsContact C-N 3.32Å; F247-M249 PolarHBondContact O-N 2.88Å; F247-N250 CarbonylContact O-C 3.49Å; F247-N250 PolarHBondContact O-N 2.84Å; F247-N250 VanDerWaalsContact O-N 3.13Å; F247-H251 AromaticContact CE1-ND1 3.94Å; F247-H251 AromaticContact CE2-ND1 3.89Å; F247-H251 AromaticContact CZ-ND1 3.35Å; F247-H251 WeakPolarHBondContact CZ-ND1 3.42Å; F247-H251 WeakPolarHBondContact O-CA 3.47Å; F247-H251 WeakPolarHBondContact O-CB 3.42Å; F247-H251 PolarHBondContact O-N 3.29Å
248	Q	98.4	Very high	98.1	Very high	40 Å²	40	56.5 Å²	56.5	19%	0.187	30%	0.297	C	S	.	.	H	α-helix	trans	-61.7	-40.5	-179.9	-72.5	-176.1	-21.1	0	0	112.2	I20 P24 I244 L245 N250 H251	I20-Q248 PolarHBondContact O-NE2 3.43Å; P24-Q248 HydrophobicContact CG-CG 4.16Å; P24-Q248 VanDerWaalsContact O-CG 3.27Å; P24-Q248 WeakPolarHBondContact O-CG 3.49Å; P24-Q248 PolarHBondContact O-NE2 2.94Å; I244-Q248 HydrophobicContact CG2-CG 4.38Å; I244-Q248 WeakPolarHBondContact O-CG 3.46Å; I244-Q248 PolarHBondContact O-N 2.96Å; L245-Q248 PolarHBondContact O-N 3.28Å; L245-Q248 VanDerWaalsContact O-N 3.16Å; Q248-N250 VanDerWaalsContact C-N 3.31Å; Q248-N250 PolarHBondContact O-N 2.83Å; Q248-H251 WeakPolarHBondContact O-CB 3.34Å; Q248-H251 PolarHBondContact O-N 3.31Å
249	M	98.1	Very high	98	Very high	150 Å²	150	54.3 Å²	54.3	74%	0.739	29%	0.294	S	S	*	.	H	α-helix	trans	-63.3	-37	175.1	-69.5	177.8	69.9	0	0	112.3	L245 Q246 F247	L245-M249 VanDerWaalsContact O-CG 3.3Å; L245-M249 WeakPolarHBondContact O-CG 3.48Å; L245-M249 PolarHBondContact O-N 3.25Å; Q246-M249 PolarHBondContact O-N 3.41Å; F247-M249 VanDerWaalsContact C-N 3.32Å; F247-M249 PolarHBondContact O-N 2.88Å
250	N	98.1	Very high	98	Very high	68 Å²	68	58.1 Å²	58.1	36%	0.364	31%	0.312	S	S	.	.	H	α-helix	trans	-89.5	-10	-179.5	-72.9	-81.7	0	0	0	113.7	Q246 F247 Q248 G252 A253 L254	Q246-N250 PolarHBondContact O-N 3.45Å; Q246-N250 VanDerWaalsContact O-N 3.09Å; Q246-N250 PolarHBondContact O-ND2 2.94Å; F247-N250 CarbonylContact O-C 3.49Å; F247-N250 PolarHBondContact O-N 2.84Å; F247-N250 VanDerWaalsContact O-N 3.13Å; Q248-N250 VanDerWaalsContact C-N 3.31Å; Q248-N250 PolarHBondContact O-N 2.83Å; N250-G252 PolarHBondContact O-N 3.23Å; N250-A253 PolarHBondContact O-N 3.29Å; N250-L254 HydrophobicContact CB-CD1 3.77Å; N250-L254 HydrophobicContact CB-CG 4.17Å; N250-L254 WeakPolarHBondContact O-CB 3.16Å; N250-L254 WeakPolarHBondContact O-CG 3.49Å; N250-L254 PolarHBondContact O-N 2.88Å
251	H	97.9	Very high	97.8	Very high	52 Å²	52	61.9 Å²	61.9	24%	0.241	33%	0.327	C	S	.	.	H	α-helix	trans	-56.1	-48.2	-167.3	-179.9	76.8	0	0	0	112.8	P24 F247 Q248 A253 L254 Q255	P24-H251 HydrophobicContact CG-CB 3.85Å; F247-H251 AromaticContact CE1-ND1 3.94Å; F247-H251 AromaticContact CE2-ND1 3.89Å; F247-H251 AromaticContact CZ-ND1 3.35Å; F247-H251 WeakPolarHBondContact CZ-ND1 3.42Å; F247-H251 WeakPolarHBondContact O-CA 3.47Å; F247-H251 WeakPolarHBondContact O-CB 3.42Å; F247-H251 PolarHBondContact O-N 3.29Å; Q248-H251 WeakPolarHBondContact O-CB 3.34Å; Q248-H251 PolarHBondContact O-N 3.31Å; H251-A253 PolarHBondContact O-N 2.98Å; H251-L254 PolarHBondContact O-N 2.88Å; H251-Q255 WeakPolarHBondContact O-CB 3.33Å; H251-Q255 PolarHBondContact O-N 2.94Å
252	G	97.8	Very high	97.6	Very high	53 Å²	53	63 Å²	63	55%	0.546	34%	0.336	S	S	.	.	H	α-helix	trans	-62.5	-41.8	-178.4	0	0	0	0	0	113.3	N250 K256	N250-G252 PolarHBondContact O-N 3.23Å; G252-K256 PolarHBondContact O-N 3.12Å; G252-K256 VanDerWaalsContact O-N 3.16Å
253	A	98	Very high	97.5	Very high	71 Å²	71	64.9 Å²	64.9	59%	0.587	35%	0.345	S	S	*	.	H	α-helix	trans	-71.4	-44.9	178.8	0	0	0	0	0	111.9	N250 H251 Q255 K256 A257	N250-A253 PolarHBondContact O-N 3.29Å; H251-A253 PolarHBondContact O-N 2.98Å; A253-Q255 VanDerWaalsContact C-N 3.35Å; A253-Q255 PolarHBondContact O-N 3.34Å; A253-K256 PolarHBondContact O-N 3.48Å; A253-A257 PolarHBondContact O-N 2.83Å
254	L	97.9	Very high	97.2	Very high	33 Å²	33	69.1 Å²	69.1	17%	0.173	37%	0.365	C	S	.	.	H	α-helix	trans	-62.3	-42.2	176.5	-74.7	173.1	0	0	0	111.5	C224 N250 H251 A257 R258	C224-L254 HydrophobicContact CB-CD1 3.82Å; N250-L254 HydrophobicContact CB-CD1 3.77Å; N250-L254 HydrophobicContact CB-CG 4.17Å; N250-L254 WeakPolarHBondContact O-CB 3.16Å; N250-L254 WeakPolarHBondContact O-CG 3.49Å; N250-L254 PolarHBondContact O-N 2.88Å; H251-L254 PolarHBondContact O-N 2.88Å; L254-A257 PolarHBondContact O-N 3.47Å; L254-R258 WeakPolarHBondContact O-CB 3.24Å; L254-R258 WeakPolarHBondContact O-CG 3.48Å; L254-R258 PolarHBondContact O-N 2.69Å
255	Q	97.5	Very high	96.9	Very high	64 Å²	64	73.4 Å²	73.4	30%	0.299	38%	0.381	S	S	.	.	H	α-helix	trans	-61.7	-48.4	178.1	-172.6	56.5	36.5	0	0	111.1	H251 A253 A257 R258 D259	H251-Q255 WeakPolarHBondContact O-CB 3.33Å; H251-Q255 PolarHBondContact O-N 2.94Å; A253-Q255 VanDerWaalsContact C-N 3.35Å; A253-Q255 PolarHBondContact O-N 3.34Å; Q255-A257 VanDerWaalsContact C-N 3.32Å; Q255-A257 PolarHBondContact O-N 2.66Å; Q255-R258 PolarHBondContact O-N 2.79Å; Q255-D259 VanDerWaalsContact NE2-CG 3.34Å; Q255-D259 PolarHBondContact NE2-OD1 2.87Å; Q255-D259 PolarHBondContact NE2-OD2 2.79Å; Q255-D259 VanDerWaalsContact O-CG 3.25Å; Q255-D259 PolarHBondContact O-N 3.16Å
256	K	98	Very high	96.6	Very high	141 Å²	141	76.9 Å²	76.9	61%	0.613	39%	0.392	S	S	*	.	H	α-helix	trans	-58.1	-43.6	175.9	-174.6	179.7	179	-178.3	0	112.2	G252 A253 D259 M260	G252-K256 PolarHBondContact O-N 3.12Å; G252-K256 VanDerWaalsContact O-N 3.16Å; A253-K256 PolarHBondContact O-N 3.48Å; K256-D259 PolarHBondContact O-N 3.25Å; K256-M260 HydrophobicContact CG-CG 4.45Å; K256-M260 HydrophobicContact CG-SD 4.01Å; K256-M260 WeakPolarHBondContact O-CB 2.93Å; K256-M260 VanDerWaalsContact O-CG 3.25Å; K256-M260 WeakPolarHBondContact O-CG 3.3Å; K256-M260 PolarHBondContact O-N 3.11Å
257	A	97.6	Very high	96.3	Very high	42 Å²	42	78.9 Å²	78.9	35%	0.347	40%	0.397	S	S	.	.	H	α-helix	trans	-63.5	-43.7	177.4	0	0	0	0	0	112.1	A253 L254 Q255 D259 M260 Y261	A253-A257 PolarHBondContact O-N 2.83Å; L254-A257 PolarHBondContact O-N 3.47Å; Q255-A257 VanDerWaalsContact C-N 3.32Å; Q255-A257 PolarHBondContact O-N 2.66Å; A257-D259 PolarHBondContact O-N 3.48Å; A257-M260 PolarHBondContact O-N 2.97Å; A257-Y261 VanDerWaalsContact O-CB 3.3Å; A257-Y261 WeakPolarHBondContact O-CB 3.32Å; A257-Y261 PolarHBondContact O-N 3.43Å
258	R	96.6	Very high	95.9	Very high	54 Å²	54	82.1 Å²	82.1	20%	0.204	41%	0.412	C	S	.	.	H	α-helix	trans	-59.9	-44.2	175.7	-74.7	-172.1	-69.7	-165.9	6.3	111.8	D201 H222 L254 Q255 A262	D201-R258 IonicContact OD1-CZ 3.06Å; D201-R258 IonicContact OD1-NH1 3.56Å; D201-R258 PolarHBondContact OD1-NH1 2.7Å; D201-R258 IonicContact OD1-NH2 3.65Å; H222-R258 HydrophobicContact CB-CG 3.6Å; L254-R258 WeakPolarHBondContact O-CB 3.24Å; L254-R258 WeakPolarHBondContact O-CG 3.48Å; L254-R258 PolarHBondContact O-N 2.69Å; Q255-R258 PolarHBondContact O-N 2.79Å; R258-A262 WeakPolarHBondContact O-CB 3.39Å; R258-A262 PolarHBondContact O-N 3.06Å
259	D	97.3	Very high	95.5	Very high	77 Å²	77	82.8 Å²	82.8	41%	0.412	42%	0.415	S	S	.	.	H	α-helix	trans	-67.8	-46.3	-179.5	-65.3	-27.2	0	0	0	111.4	Q255 K256 A257 Y261 A262 E263	Q255-D259 VanDerWaalsContact NE2-CG 3.34Å; Q255-D259 PolarHBondContact NE2-OD1 2.87Å; Q255-D259 PolarHBondContact NE2-OD2 2.79Å; Q255-D259 VanDerWaalsContact O-CG 3.25Å; Q255-D259 PolarHBondContact O-N 3.16Å; K256-D259 PolarHBondContact O-N 3.25Å; A257-D259 PolarHBondContact O-N 3.48Å; D259-Y261 PolarHBondContact O-N 3.48Å; D259-A262 PolarHBondContact O-N 2.78Å; D259-E263 WeakPolarHBondContact O-CG 3.36Å; D259-E263 PolarHBondContact O-N 3.47Å
260	M	97.3	Very high	95.2	Very high	110 Å²	110	79.5 Å²	79.5	54%	0.542	40%	0.4	S	S	.	.	H	α-helix	trans	-58.9	-45.2	175.7	-73.9	177.3	62.5	0	0	112	K256 A257 A262 E263 E264	K256-M260 HydrophobicContact CG-CG 4.45Å; K256-M260 HydrophobicContact CG-SD 4.01Å; K256-M260 WeakPolarHBondContact O-CB 2.93Å; K256-M260 VanDerWaalsContact O-CG 3.25Å; K256-M260 WeakPolarHBondContact O-CG 3.3Å; K256-M260 PolarHBondContact O-N 3.11Å; A257-M260 PolarHBondContact O-N 2.97Å; M260-A262 VanDerWaalsContact C-N 3.35Å; M260-A262 PolarHBondContact O-N 3.4Å; M260-E263 PolarHBondContact O-N 3.41Å; M260-E264 WeakPolarHBondContact O-CB 3.37Å; M260-E264 PolarHBondContact O-N 3.19Å
261	Y	95.2	Very high	94.8	Very high	80 Å²	80	80.9 Å²	80.9	31%	0.314	40%	0.404	S	S	.	.	H	α-helix	trans	-62.7	-41.8	176.9	-178.3	-102.8	0	0	0	111.7	E185 H222 A257 D259 E263 E264 R265	E185-Y261 VanDerWaalsContact OE1-CE1 3.24Å; E185-Y261 WeakPolarHBondContact OE1-CE1 3.4Å; E185-Y261 PolarHBondContact OE1-OH 2.74Å; E185-Y261 PolarHBondContact OE2-OH 2.78Å; H222-Y261 AromaticContact CE1-CG 3.96Å; A257-Y261 VanDerWaalsContact O-CB 3.3Å; A257-Y261 WeakPolarHBondContact O-CB 3.32Å; A257-Y261 PolarHBondContact O-N 3.43Å; D259-Y261 PolarHBondContact O-N 3.48Å; Y261-E263 PolarHBondContact O-N 2.91Å; Y261-E264 PolarHBondContact O-N 3.27Å; Y261-R265 HydrophobicContact CD1-CG 4.38Å; Y261-R265 VanDerWaalsContact CE1-CD 3.43Å; Y261-R265 HydrophobicContact CE1-CG 4.04Å; Y261-R265 WeakPolarHBondContact O-CG 3.4Å; Y261-R265 PolarHBondContact O-N 3.3Å
262	A	94.2	Very high	94.3	Very high	29 Å²	29	86.3 Å²	86.3	24%	0.24	42%	0.422	C	S	.	.	H	α-helix	trans	-64.2	-39.5	176.7	0	0	0	0	0	112.8	R258 D259 M260 K266	R258-A262 WeakPolarHBondContact O-CB 3.39Å; R258-A262 PolarHBondContact O-N 3.06Å; D259-A262 PolarHBondContact O-N 2.78Å; M260-A262 VanDerWaalsContact C-N 3.35Å; M260-A262 PolarHBondContact O-N 3.4Å; A262-K266 WeakPolarHBondContact O-CG 3.47Å; A262-K266 PolarHBondContact O-N 3.4Å; A262-K266 VanDerWaalsContact O-N 3.16Å
263	E	95.4	Very high	94	Very high	133 Å²	133	84.5 Å²	84.5	62%	0.621	40%	0.4	S	S	*	.	H	α-helix	trans	-65.3	-45	174.5	-73.4	179.7	176.6	0	0	112	D259 M260 Y261 R265 K266 R267	D259-E263 WeakPolarHBondContact O-CG 3.36Å; D259-E263 PolarHBondContact O-N 3.47Å; M260-E263 PolarHBondContact O-N 3.41Å; Y261-E263 PolarHBondContact O-N 2.91Å; E263-R265 VanDerWaalsContact C-N 3.35Å; E263-R265 PolarHBondContact O-N 2.93Å; E263-K266 PolarHBondContact O-N 3Å; E263-R267 PolarHBondContact O-N 3.27Å
264	E	93.3	Very high	93.7	Very high	88 Å²	88	85.6 Å²	85.6	41%	0.411	39%	0.393	S	S	.	.	H	α-helix	trans	-61	-42.7	177.6	179.6	160.5	-140.8	0	0	111.9	M260 Y261 K266 R267 H268	M260-E264 WeakPolarHBondContact O-CB 3.37Å; M260-E264 PolarHBondContact O-N 3.19Å; Y261-E264 PolarHBondContact O-N 3.27Å; E264-K266 PolarHBondContact O-N 3.38Å; E264-R267 WeakPolarHBondContact O-CB 3.35Å; E264-R267 PolarHBondContact O-N 3.39Å; E264-R267 IonicContact OE1-NH2 2.72Å; E264-R267 PolarHBondContact OE1-NH2 3.07Å; E264-R267 VanDerWaalsContact OE1-NH2 3.16Å; E264-H268 VanDerWaalsContact CG-CE1 3.47Å; E264-H268 WeakPolarHBondContact CG-CE1 3.44Å; E264-H268 PolarHBondContact O-N 2.86Å; E264-H268 IonicContact OE1-CE1 3.63Å; E264-H268 IonicContact OE1-NE2 3.68Å
265	R	91	Very high	93.2	Very high	93 Å²	93	86.8 Å²	86.8	35%	0.351	41%	0.408	S	S	.	.	H	α-helix	trans	-60	-45.1	173.7	-73	-167.3	-53.1	176.1	6.9	112.6	E185 Y261 E263 R267 H268 Q269	E185-R265 VanDerWaalsContact OE1-CD 3.3Å; E185-R265 WeakPolarHBondContact OE1-CD 3.5Å; E185-R265 IonicContact OE1-CZ 3.47Å; E185-R265 IonicContact OE1-NE 3.7Å; E185-R265 IonicContact OE1-NH1 2.77Å; E185-R265 PolarHBondContact OE1-NH1 3.46Å; E185-R265 WeakPolarHBondContact OE2-CD 3.36Å; E185-R265 IonicContact OE2-NH1 3.21Å; Y261-R265 HydrophobicContact CD1-CG 4.38Å; Y261-R265 VanDerWaalsContact CE1-CD 3.43Å; Y261-R265 HydrophobicContact CE1-CG 4.04Å; Y261-R265 WeakPolarHBondContact O-CG 3.4Å; Y261-R265 PolarHBondContact O-N 3.3Å; E263-R265 VanDerWaalsContact C-N 3.35Å; E263-R265 PolarHBondContact O-N 2.93Å; R265-R267 VanDerWaalsContact C-N 3.3Å; R265-R267 PolarHBondContact O-N 3.36Å; R265-H268 PolarHBondContact O-N 3.41Å; R265-Q269 WeakPolarHBondContact O-CB 3.2Å; R265-Q269 PolarHBondContact O-N 3.47Å
266	K	92	Very high	92.8	Very high	155 Å²	155	85.4 Å²	85.4	67%	0.674	41%	0.407	S	S	*	.	H	α-helix	trans	-61.7	-41	177.4	-73.7	173.5	-177.3	176.4	0	111.1	A262 E263 E264 Q269 L270	A262-K266 WeakPolarHBondContact O-CG 3.47Å; A262-K266 PolarHBondContact O-N 3.4Å; A262-K266 VanDerWaalsContact O-N 3.16Å; E263-K266 PolarHBondContact O-N 3Å; E264-K266 PolarHBondContact O-N 3.38Å; K266-Q269 PolarHBondContact O-N 2.92Å; K266-L270 WeakPolarHBondContact O-CB 3.3Å; K266-L270 PolarHBondContact O-N 3.23Å
267	R	93	Very high	92.4	Very high	122 Å²	122	78.9 Å²	78.9	46%	0.46	38%	0.379	S	S	.	.	H	α-helix	trans	-61.5	-51.7	175.9	-174.9	-175.1	66.7	-159	-4.1	111.3	E263 E264 R265 Q269 L270 E271	E263-R267 PolarHBondContact O-N 3.27Å; E264-R267 WeakPolarHBondContact O-CB 3.35Å; E264-R267 PolarHBondContact O-N 3.39Å; E264-R267 IonicContact OE1-NH2 2.72Å; E264-R267 PolarHBondContact OE1-NH2 3.07Å; E264-R267 VanDerWaalsContact OE1-NH2 3.16Å; R265-R267 VanDerWaalsContact C-N 3.3Å; R265-R267 PolarHBondContact O-N 3.36Å; R267-Q269 VanDerWaalsContact C-N 3.28Å; R267-Q269 PolarHBondContact O-N 3.37Å; R267-L270 WeakPolarHBondContact O-CB 3.4Å; R267-L270 PolarHBondContact O-N 3.49Å; R267-L270 VanDerWaalsContact O-N 3.14Å; R267-E271 WeakPolarHBondContact CG-OE1 3.25Å; R267-E271 IonicContact NE-OE1 3.95Å; R267-E271 WeakPolarHBondContact O-CG 3.39Å; R267-E271 PolarHBondContact O-N 3.24Å
268	H	89.7	Confident	92	Very high	70 Å²	70	79.2 Å²	79.2	32%	0.324	38%	0.377	S	S	.	.	H	α-helix	trans	-62.4	-35.2	179.2	-67.7	169.9	0	0	0	112.5	E264 R265 E271 R272	E264-H268 VanDerWaalsContact CG-CE1 3.47Å; E264-H268 WeakPolarHBondContact CG-CE1 3.44Å; E264-H268 PolarHBondContact O-N 2.86Å; E264-H268 IonicContact OE1-CE1 3.63Å; E264-H268 IonicContact OE1-NE2 3.68Å; R265-H268 PolarHBondContact O-N 3.41Å; H268-E271 IonicContact CD2-OE2 3.53Å; H268-R272 VanDerWaalsContact O-CG 3.27Å; H268-R272 WeakPolarHBondContact O-CG 3.12Å; H268-R272 PolarHBondContact O-N 3.47Å
269	Q	89.8	Confident	91.5	Very high	54 Å²	54	81.4 Å²	81.4	25%	0.252	39%	0.39	S	S	.	.	H	α-helix	trans	-64.7	-45.1	174.1	-172.6	60.5	63.2	0	0	111.6	R265 K266 R267 R272 D273	R265-Q269 WeakPolarHBondContact O-CB 3.2Å; R265-Q269 PolarHBondContact O-N 3.47Å; K266-Q269 PolarHBondContact O-N 2.92Å; R267-Q269 VanDerWaalsContact C-N 3.28Å; R267-Q269 PolarHBondContact O-N 3.37Å; Q269-R272 PolarHBondContact O-N 3.16Å; Q269-D273 PolarHBondContact NE2-OD1 3.42Å; Q269-D273 PolarHBondContact O-N 3.5Å
270	L	91.2	Very high	91	Very high	80 Å²	80	81.8 Å²	81.8	42%	0.419	39%	0.389	S	S	.	.	H	α-helix	trans	-62.1	-43.7	177.8	179.5	62.7	0	0	0	111.8	K266 R267 R272 D273 Q274 L299	K266-L270 WeakPolarHBondContact O-CB 3.3Å; K266-L270 PolarHBondContact O-N 3.23Å; R267-L270 WeakPolarHBondContact O-CB 3.4Å; R267-L270 PolarHBondContact O-N 3.49Å; R267-L270 VanDerWaalsContact O-N 3.14Å; L270-R272 PolarHBondContact O-N 3.31Å; L270-D273 PolarHBondContact O-N 2.93Å; L270-Q274 HydrophobicContact CD1-CG 4.36Å; L270-Q274 WeakPolarHBondContact O-CB 3.31Å; L270-Q274 VanDerWaalsContact O-CG 3.27Å; L270-Q274 WeakPolarHBondContact O-CG 3.47Å; L270-Q274 PolarHBondContact O-N 2.94Å; L270-L299 HydrophobicContact CD1-CD2 3.8Å
271	E	90.6	Very high	90.5	Very high	97 Å²	97	76.7 Å²	76.7	45%	0.453	36%	0.364	S	S	.	.	H	α-helix	trans	-61.1	-43.3	177.1	-73.1	168.5	180	0	0	111.7	R267 H268 Q274 A275	R267-E271 WeakPolarHBondContact CG-OE1 3.25Å; R267-E271 IonicContact NE-OE1 3.95Å; R267-E271 WeakPolarHBondContact O-CG 3.39Å; R267-E271 PolarHBondContact O-N 3.24Å; H268-E271 IonicContact CD2-OE2 3.53Å; E271-Q274 PolarHBondContact O-N 2.96Å; E271-A275 WeakPolarHBondContact O-CB 3.42Å; E271-A275 PolarHBondContact O-N 3.3Å
272	R	87.8	Confident	90.1	Very high	166 Å²	166	77.7 Å²	77.7	63%	0.626	37%	0.374	S	S	*	.	H	α-helix	trans	-62	-44.7	174.8	-74.1	174.9	-176.8	-173.9	1.7	112.1	H268 Q269 L270 Q274 A275 A276	H268-R272 VanDerWaalsContact O-CG 3.27Å; H268-R272 WeakPolarHBondContact O-CG 3.12Å; H268-R272 PolarHBondContact O-N 3.47Å; Q269-R272 PolarHBondContact O-N 3.16Å; L270-R272 PolarHBondContact O-N 3.31Å; R272-Q274 VanDerWaalsContact C-N 3.34Å; R272-Q274 PolarHBondContact O-N 3Å; R272-A275 PolarHBondContact O-N 3.37Å; R272-A276 WeakPolarHBondContact O-CB 3.44Å; R272-A276 PolarHBondContact O-N 3.5Å
273	D	91.1	Very high	89.7	Confident	15 Å²	15	85.5 Å²	85.5	8%	0.08	40%	0.397	C	S	.	.	H	α-helix	trans	-65.5	-39.7	179.9	-66	-10.7	0	0	0	111.1	Q269 L270 A276 V277 L299 L302 R306	Q269-D273 PolarHBondContact NE2-OD1 3.42Å; Q269-D273 PolarHBondContact O-N 3.5Å; L270-D273 PolarHBondContact O-N 2.93Å; D273-A276 PolarHBondContact O-N 3.34Å; D273-V277 WeakPolarHBondContact O-CG2 3.47Å; D273-V277 PolarHBondContact O-N 3.39Å; D273-L299 HydrophobicContact CB-CD1 3.44Å; D273-L299 VanDerWaalsContact CB-CD1 3.44Å; D273-L302 HydrophobicContact CB-CD2 4.12Å; D273-R306 IonicContact OD1-CZ 3.58Å; D273-R306 IonicContact OD1-NH1 2.85Å; D273-R306 PolarHBondContact OD1-NH1 3.45Å; D273-R306 IonicContact OD1-NH2 3.45Å; D273-R306 IonicContact OD2-CZ 3.34Å; D273-R306 IonicContact OD2-NH1 3.72Å; D273-R306 PolarHBondContact OD2-NH1 3.18Å; D273-R306 IonicContact OD2-NH2 2.77Å; D273-R306 PolarHBondContact OD2-NH2 3.11Å
274	Q	90.7	Very high	89.2	Confident	95 Å²	95	83.7 Å²	83.7	44%	0.444	39%	0.389	S	S	.	.	H	α-helix	trans	-64.2	-41.8	174	-74.1	176.8	-2.1	0	0	112.4	L270 E271 R272 V277 T278 L299	L270-Q274 HydrophobicContact CD1-CG 4.36Å; L270-Q274 WeakPolarHBondContact O-CB 3.31Å; L270-Q274 VanDerWaalsContact O-CG 3.27Å; L270-Q274 WeakPolarHBondContact O-CG 3.47Å; L270-Q274 PolarHBondContact O-N 2.94Å; E271-Q274 PolarHBondContact O-N 2.96Å; R272-Q274 VanDerWaalsContact C-N 3.34Å; R272-Q274 PolarHBondContact O-N 3Å; Q274-V277 PolarHBondContact O-N 3.17Å; Q274-T278 WeakPolarHBondContact O-CB 3.27Å; Q274-T278 PolarHBondContact O-N 3.45Å; Q274-T278 PolarHBondContact O-OG1 3.47Å; Q274-L299 HydrophobicContact CG-CD1 4.26Å; Q274-L299 HydrophobicContact CG-CD2 4.45Å
275	A	88.4	Confident	88.6	Confident	58 Å²	58	82.7 Å²	82.7	48%	0.479	40%	0.403	S	S	.	.	H	α-helix	trans	-62.7	-45.7	176	0	0	0	0	0	111.3	E271 R272 V277 T278 E279	E271-A275 WeakPolarHBondContact O-CB 3.42Å; E271-A275 PolarHBondContact O-N 3.3Å; R272-A275 PolarHBondContact O-N 3.37Å; A275-V277 PolarHBondContact O-N 3.49Å; A275-T278 WeakPolarHBondContact O-CB 3.48Å; A275-T278 PolarHBondContact O-N 3.06Å; A275-T278 VanDerWaalsContact O-N 3.17Å; A275-E279 PolarHBondContact O-N 2.98Å
276	A	88.3	Confident	87.8	Confident	35 Å²	35	81.7 Å²	81.7	29%	0.289	40%	0.404	S	S	.	.	H	α-helix	trans	-60.9	-43.4	177.4	0	0	0	0	0	112.4	R272 D273 T278 E279 Q280 L302	R272-A276 WeakPolarHBondContact O-CB 3.44Å; R272-A276 PolarHBondContact O-N 3.5Å; D273-A276 PolarHBondContact O-N 3.34Å; A276-T278 VanDerWaalsContact C-N 3.34Å; A276-T278 PolarHBondContact O-N 2.91Å; A276-E279 PolarHBondContact O-N 3.45Å; A276-Q280 WeakPolarHBondContact O-CG 3.43Å; A276-Q280 PolarHBondContact O-N 2.95Å; A276-L302 HydrophobicContact CB-CD1 4.18Å
277	V	90.5	Very high	86.5	Confident	4 Å²	4	81.6 Å²	81.6	2%	0.024	41%	0.406	C	S	.	.	H	α-helix	trans	-63.4	-41.2	174.8	169.8	0	0	0	0	111.2	D273 Q274 A275 Q280 L281 R298 L299 L302	D273-V277 WeakPolarHBondContact O-CG2 3.47Å; D273-V277 PolarHBondContact O-N 3.39Å; Q274-V277 PolarHBondContact O-N 3.17Å; A275-V277 PolarHBondContact O-N 3.49Å; V277-Q280 PolarHBondContact O-N 3.43Å; V277-L281 HydrophobicContact CG1-CD1 4.03Å; V277-L281 HydrophobicContact CG1-CG 4.42Å; V277-L281 WeakPolarHBondContact O-CG 3.35Å; V277-L281 PolarHBondContact O-N 2.93Å; V277-R298 HydrophobicContact CG1-CB 3.65Å; V277-R298 HydrophobicContact CG2-CB 4.21Å; V277-L299 HydrophobicContact CG2-CB 4.44Å; V277-L299 HydrophobicContact CG2-CD1 4.3Å; V277-L302 HydrophobicContact CG2-CD1 4.16Å
278	T	88.3	Confident	84.6	Confident	49 Å²	49	78.3 Å²	78.3	30%	0.301	41%	0.405	S	S	.	.	H	α-helix	trans	-62.8	-44.2	178.9	-58.2	0	0	0	0	111.1	Q274 A275 A276 L281 L282	Q274-T278 WeakPolarHBondContact O-CB 3.27Å; Q274-T278 PolarHBondContact O-N 3.45Å; Q274-T278 PolarHBondContact O-OG1 3.47Å; A275-T278 WeakPolarHBondContact O-CB 3.48Å; A275-T278 PolarHBondContact O-N 3.06Å; A275-T278 VanDerWaalsContact O-N 3.17Å; A276-T278 VanDerWaalsContact C-N 3.34Å; A276-T278 PolarHBondContact O-N 2.91Å; T278-L281 PolarHBondContact O-N 3.26Å; T278-L282 HydrophobicContact CG2-CD1 4.21Å; T278-L282 WeakPolarHBondContact O-CG 3.3Å; T278-L282 PolarHBondContact O-N 3.34Å
279	E	86.9	Confident	83	Confident	100 Å²	100	81.7 Å²	81.7	47%	0.467	43%	0.425	S	S	.	.	H	α-helix	trans	-63.3	-41.5	176.6	-168.3	-178.3	-179.8	0	0	112.1	A275 A276 L281 L282 R283	A275-E279 PolarHBondContact O-N 2.98Å; A276-E279 PolarHBondContact O-N 3.45Å; E279-L281 PolarHBondContact O-N 3.39Å; E279-L282 PolarHBondContact O-N 3.49Å; E279-R283 VanDerWaalsContact O-CG 3.31Å; E279-R283 WeakPolarHBondContact O-CG 3.47Å; E279-R283 PolarHBondContact O-N 3.32Å; E279-R283 IonicContact OE1-CZ 2.74Å; E279-R283 IonicContact OE1-NE 2.8Å; E279-R283 PolarHBondContact OE1-NE 2.92Å; E279-R283 IonicContact OE1-NH2 2.58Å; E279-R283 PolarHBondContact OE1-NH2 3.49Å
280	Q	86.9	Confident	81.5	Confident	84 Å²	84	80 Å²	80	39%	0.393	42%	0.421	S	S	.	.	H	α-helix	trans	-59.8	-45.9	174.3	-74.5	177.6	-0.6	0	0	112.1	A276 V277 L282 R283 E284	A276-Q280 WeakPolarHBondContact O-CG 3.43Å; A276-Q280 PolarHBondContact O-N 2.95Å; V277-Q280 PolarHBondContact O-N 3.43Å; Q280-L282 PolarHBondContact O-N 3.48Å; Q280-R283 PolarHBondContact O-N 2.99Å; Q280-E284 WeakPolarHBondContact O-CG 3.47Å; Q280-E284 PolarHBondContact O-N 3.49Å
281	L	86.4	Confident	80.6	Confident	4 Å²	4	81.2 Å²	81.2	2%	0.021	43%	0.427	C	S	.	.	H	α-helix	trans	-63.6	-40.7	178.8	-70.1	172	0	0	0	112.1	V277 T278 E279 E284 G285 L286 A290 L294 R295	V277-L281 HydrophobicContact CG1-CD1 4.03Å; V277-L281 HydrophobicContact CG1-CG 4.42Å; V277-L281 WeakPolarHBondContact O-CG 3.35Å; V277-L281 PolarHBondContact O-N 2.93Å; T278-L281 PolarHBondContact O-N 3.26Å; E279-L281 PolarHBondContact O-N 3.39Å; L281-E284 CarbonylContact O-C 3.56Å; L281-E284 PolarHBondContact O-N 3.4Å; L281-G285 PolarHBondContact O-N 3.46Å; L281-L286 HydrophobicContact CB-CB 4.49Å; L281-L286 HydrophobicContact CD2-CB 4.42Å; L281-L286 HydrophobicContact CD2-CD1 3.83Å; L281-L286 PolarHBondContact O-N 3.13Å; L281-A290 HydrophobicContact CD1-CB 4.16Å; L281-L294 HydrophobicContact CD2-CD2 4.19Å; L281-R295 HydrophobicContact CD1-CG 3.91Å
282	L	85.6	Confident	80.1	Confident	101 Å²	101	80.4 Å²	80.4	53%	0.529	44%	0.438	S	S	.	.	H	α-helix	trans	-63	-42.2	176	-72.9	170.2	0	0	0	111.8	T278 E279 Q280 E284 G285	T278-L282 HydrophobicContact CG2-CD1 4.21Å; T278-L282 WeakPolarHBondContact O-CG 3.3Å; T278-L282 PolarHBondContact O-N 3.34Å; E279-L282 PolarHBondContact O-N 3.49Å; Q280-L282 PolarHBondContact O-N 3.48Å; L282-E284 VanDerWaalsContact C-N 3.28Å; L282-E284 PolarHBondContact O-N 3.48Å; L282-G285 PolarHBondContact O-N 3.37Å; L282-G285 VanDerWaalsContact O-N 3.09Å
283	R	86.4	Confident	79.9	Confident	192 Å²	192	79.2 Å²	79.2	73%	0.725	44%	0.439	S	S	*	.	H	α-helix	trans	-64.2	-32.7	174.8	-70.1	175.3	-174.5	-168.7	4.7	112.5	E279 Q280 G285	E279-R283 VanDerWaalsContact O-CG 3.31Å; E279-R283 WeakPolarHBondContact O-CG 3.47Å; E279-R283 PolarHBondContact O-N 3.32Å; E279-R283 IonicContact OE1-CZ 2.74Å; E279-R283 IonicContact OE1-NE 2.8Å; E279-R283 PolarHBondContact OE1-NE 2.92Å; E279-R283 IonicContact OE1-NH2 2.58Å; E279-R283 PolarHBondContact OE1-NH2 3.49Å; Q280-R283 PolarHBondContact O-N 2.99Å; R283-G285 PolarHBondContact O-N 3.46Å
284	E	86.1	Confident	79.7	Confident	95 Å²	95	81.4 Å²	81.4	44%	0.444	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	0.4	174.8	-69.5	175.8	-167.8	0	0	112.9	Q280 L281 L282 L286 R298	Q280-E284 WeakPolarHBondContact O-CG 3.47Å; Q280-E284 PolarHBondContact O-N 3.49Å; L281-E284 CarbonylContact O-C 3.56Å; L281-E284 PolarHBondContact O-N 3.4Å; L282-E284 VanDerWaalsContact C-N 3.28Å; L282-E284 PolarHBondContact O-N 3.48Å; E284-L286 HydrophobicContact CB-CD1 4.27Å; E284-L286 HydrophobicContact CB-CG 4.4Å; E284-L286 PolarHBondContact O-N 3.09Å; E284-R298 IonicContact OE1-CZ 3.5Å; E284-R298 IonicContact OE1-NH1 3.35Å; E284-R298 PolarHBondContact OE1-NH1 3.44Å; E284-R298 IonicContact OE1-NH2 2.75Å; E284-R298 PolarHBondContact OE1-NH2 3.2Å; E284-R298 IonicContact OE2-CZ 3.47Å; E284-R298 IonicContact OE2-NH1 3.52Å; E284-R298 IonicContact OE2-NH2 2.76Å; E284-R298 PolarHBondContact OE2-NH2 3.29Å
285	G	79.9	Confident	79.4	Confident	68 Å²	68	80.9 Å²	80.9	70%	0.701	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.9	9.8	-179.9	0	0	0	0	0	114.4	L281 L282 R283	L281-G285 PolarHBondContact O-N 3.46Å; L282-G285 PolarHBondContact O-N 3.37Å; L282-G285 VanDerWaalsContact O-N 3.09Å; R283-G285 PolarHBondContact O-N 3.46Å
286	L	74.4	Confident	79.4	Confident	72 Å²	72	87.6 Å²	87.6	38%	0.377	46%	0.458	S	S	.	.			trans	-84.7	128.2	177.3	-64.4	169.5	0	0	0	109	L281 E284 L294	L281-L286 HydrophobicContact CB-CB 4.49Å; L281-L286 HydrophobicContact CD2-CB 4.42Å; L281-L286 HydrophobicContact CD2-CD1 3.83Å; L281-L286 PolarHBondContact O-N 3.13Å; E284-L286 HydrophobicContact CB-CD1 4.27Å; E284-L286 HydrophobicContact CB-CG 4.4Å; E284-L286 PolarHBondContact O-N 3.09Å; L286-L294 HydrophobicContact CD1-CD2 4.33Å
287	Q	64.3	Low	79.5	Confident	152 Å²	152	90 Å²	90	71%	0.71	47%	0.469	S	S	*	.			trans	-56.7	152	-175.7	-76	-165.7	-6.9	0	0	112.7	N289 A290	Q287-N289 PolarHBondContact O-N 3.39Å; Q287-A290 WeakPolarHBondContact O-CB 3.3Å; Q287-A290 PolarHBondContact O-N 3.01Å
288	A	54.1	Low	79.5	Confident	54 Å²	54	93.1 Å²	93.1	45%	0.446	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	3.8	168.6	0	0	0	0	0	114.5	R295	A288-R295 PolarHBondContact O-NH2 3.34Å
289	N	54.9	Low	79.7	Confident	141 Å²	141	92.6 Å²	92.6	75%	0.754	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.3	22.6	167.7	-73.6	-15.7	0	0	0	112.3	Q287 D291	Q287-N289 PolarHBondContact O-N 3.39Å; N289-D291 PolarHBondContact O-N 3.02Å
290	A	59	Low	80	Confident	19 Å²	19	94.7 Å²	94.7	16%	0.157	49%	0.485	C	S	.	.			trans	-48	136.8	170.3	0	0	0	0	0	110.7	L281 Q287 A292 L294	L281-A290 HydrophobicContact CD1-CB 4.16Å; Q287-A290 WeakPolarHBondContact O-CB 3.3Å; Q287-A290 PolarHBondContact O-N 3.01Å; A290-A292 PolarHBondContact O-N 3.03Å; A290-L294 HydrophobicContact CB-CD2 4.29Å
291	D	72.7	Confident	80.4	Confident	104 Å²	104	96.4 Å²	96.4	56%	0.556	49%	0.491	S	S	*	.			trans	-38.9	126.8	178.5	-173.9	-7.7	0	0	0	110.6	N289 Q293 L294 R295	N289-D291 PolarHBondContact O-N 3.02Å; D291-Q293 PolarHBondContact O-N 3.5Å; D291-Q293 PolarHBondContact OD1-N 3.3Å; D291-Q293 VanDerWaalsContact OD1-N 3.12Å; D291-L294 HydrophobicContact CB-CB 4.28Å; D291-L294 WeakPolarHBondContact O-CA 3.36Å; D291-L294 WeakPolarHBondContact O-CB 3.35Å; D291-L294 PolarHBondContact O-N 2.72Å; D291-R295 PolarHBondContact O-N 2.87Å
292	A	79.4	Confident	80.6	Confident	81 Å²	81	97.8 Å²	97.8	67%	0.669	50%	0.498	S	S	*	.	H	α-helix	trans	-53.2	-30.5	-179.3	0	0	0	0	0	111.3	A290 R296	A290-A292 PolarHBondContact O-N 3.03Å; A292-R296 PolarHBondContact O-N 3.44Å; A292-R296 VanDerWaalsContact O-N 3.16Å
293	Q	84.2	Confident	81	Confident	141 Å²	141	95.2 Å²	95.2	66%	0.659	49%	0.489	S	S	*	.	H	α-helix	trans	-66.4	-44	174.6	-169.5	161.9	-21	0	0	112.5	D291 R295 R296 T297	D291-Q293 PolarHBondContact O-N 3.5Å; D291-Q293 PolarHBondContact OD1-N 3.3Å; D291-Q293 VanDerWaalsContact OD1-N 3.12Å; Q293-R295 PolarHBondContact O-N 3.01Å; Q293-R296 PolarHBondContact O-N 2.94Å; Q293-T297 PolarHBondContact O-N 3.2Å; Q293-T297 PolarHBondContact O-OG1 2.96Å; Q293-T297 VanDerWaalsContact O-OG1 3.07Å
294	L	85.2	Confident	81.4	Confident	60 Å²	60	88.1 Å²	88.1	31%	0.314	47%	0.471	S	S	.	.	H	α-helix	trans	-60.9	-43.2	177.6	-179.9	62.8	0	0	0	111.8	L281 L286 A290 D291 T297 R298	L281-L294 HydrophobicContact CD2-CD2 4.19Å; L286-L294 HydrophobicContact CD1-CD2 4.33Å; A290-L294 HydrophobicContact CB-CD2 4.29Å; D291-L294 HydrophobicContact CB-CB 4.28Å; D291-L294 WeakPolarHBondContact O-CA 3.36Å; D291-L294 WeakPolarHBondContact O-CB 3.35Å; D291-L294 PolarHBondContact O-N 2.72Å; L294-T297 PolarHBondContact O-N 3.16Å; L294-R298 HydrophobicContact CD1-CG 4.42Å; L294-R298 WeakPolarHBondContact O-CG 3.45Å; L294-R298 PolarHBondContact O-N 2.97Å
295	R	85.3	Confident	81.8	Confident	84 Å²	84	88.5 Å²	88.5	32%	0.317	47%	0.471	S	S	.	.	H	α-helix	trans	-60.7	-46.4	176.3	-73.3	-179.5	168.9	179.5	-6.6	112	L281 A288 D291 Q293 T297 R298 L299	L281-R295 HydrophobicContact CD1-CG 3.91Å; A288-R295 PolarHBondContact O-NH2 3.34Å; D291-R295 PolarHBondContact O-N 2.87Å; Q293-R295 PolarHBondContact O-N 3.01Å; R295-T297 VanDerWaalsContact C-N 3.33Å; R295-T297 PolarHBondContact O-N 3.46Å; R295-R298 PolarHBondContact O-N 3.19Å; R295-L299 WeakPolarHBondContact O-CB 3.37Å; R295-L299 PolarHBondContact O-N 3.2Å
296	R	88	Confident	82.5	Confident	200 Å²	200	86.9 Å²	86.9	76%	0.755	44%	0.444	S	S	*	.	H	α-helix	trans	-61.3	-42.4	178.1	-170.1	176.1	-179.2	178.6	0.2	111.4	A292 Q293 L299 H300	A292-R296 PolarHBondContact O-N 3.44Å; A292-R296 VanDerWaalsContact O-N 3.16Å; Q293-R296 PolarHBondContact O-N 2.94Å; R296-L299 PolarHBondContact O-N 2.9Å; R296-H300 WeakPolarHBondContact O-CB 3.33Å; R296-H300 PolarHBondContact O-N 3.38Å
297	T	91.3	Very high	83.5	Confident	86 Å²	86	89.1 Å²	89.1	53%	0.528	45%	0.452	S	S	.	.	H	α-helix	trans	-63.8	-44.3	176.3	-59.5	0	0	0	0	112.1	Q293 L294 R295 H300 K301	Q293-T297 PolarHBondContact O-N 3.2Å; Q293-T297 PolarHBondContact O-OG1 2.96Å; Q293-T297 VanDerWaalsContact O-OG1 3.07Å; L294-T297 PolarHBondContact O-N 3.16Å; R295-T297 VanDerWaalsContact C-N 3.33Å; R295-T297 PolarHBondContact O-N 3.46Å; T297-H300 PolarHBondContact O-N 3.45Å; T297-K301 WeakPolarHBondContact O-CB 3.38Å; T297-K301 PolarHBondContact O-N 2.85Å
298	R	90.4	Very high	85.1	Confident	69 Å²	69	88.9 Å²	88.9	26%	0.26	45%	0.451	S	S	.	.	H	α-helix	trans	-64.1	-42.1	177.1	-71.2	-71.4	-174.7	132.4	9	111.8	V277 E284 L294 R295 K301 L302	V277-R298 HydrophobicContact CG1-CB 3.65Å; V277-R298 HydrophobicContact CG2-CB 4.21Å; E284-R298 IonicContact OE1-CZ 3.5Å; E284-R298 IonicContact OE1-NH1 3.35Å; E284-R298 PolarHBondContact OE1-NH1 3.44Å; E284-R298 IonicContact OE1-NH2 2.75Å; E284-R298 PolarHBondContact OE1-NH2 3.2Å; E284-R298 IonicContact OE2-CZ 3.47Å; E284-R298 IonicContact OE2-NH1 3.52Å; E284-R298 IonicContact OE2-NH2 2.76Å; E284-R298 PolarHBondContact OE2-NH2 3.29Å; L294-R298 HydrophobicContact CD1-CG 4.42Å; L294-R298 WeakPolarHBondContact O-CG 3.45Å; L294-R298 PolarHBondContact O-N 2.97Å; R295-R298 PolarHBondContact O-N 3.19Å; R298-K301 PolarHBondContact O-N 2.92Å; R298-L302 WeakPolarHBondContact O-CB 3.46Å; R298-L302 PolarHBondContact O-N 3.27Å
299	L	92.3	Very high	87.2	Confident	37 Å²	37	89 Å²	89	19%	0.194	44%	0.44	C	S	.	.	H	α-helix	trans	-60.6	-47.5	176.3	-172.6	72	0	0	0	111.8	L270 D273 Q274 V277 R295 R296 K301 L302 S303	L270-L299 HydrophobicContact CD1-CD2 3.8Å; D273-L299 HydrophobicContact CB-CD1 3.44Å; D273-L299 VanDerWaalsContact CB-CD1 3.44Å; Q274-L299 HydrophobicContact CG-CD1 4.26Å; Q274-L299 HydrophobicContact CG-CD2 4.45Å; V277-L299 HydrophobicContact CG2-CB 4.44Å; V277-L299 HydrophobicContact CG2-CD1 4.3Å; R295-L299 WeakPolarHBondContact O-CB 3.37Å; R295-L299 PolarHBondContact O-N 3.2Å; R296-L299 PolarHBondContact O-N 2.9Å; L299-K301 VanDerWaalsContact C-N 3.33Å; L299-K301 PolarHBondContact O-N 2.84Å; L299-L302 PolarHBondContact O-N 3.48Å; L299-S303 PolarHBondContact O-N 3.02Å
300	H	93.1	Very high	89.2	Confident	144 Å²	144	83.1 Å²	83.1	67%	0.667	41%	0.409	S	S	*	.	H	α-helix	trans	-60.6	-43.7	176.4	-174.5	-81.8	0	0	0	111.6	R296 T297 L302 S303 A304	R296-H300 WeakPolarHBondContact O-CB 3.33Å; R296-H300 PolarHBondContact O-N 3.38Å; T297-H300 PolarHBondContact O-N 3.45Å; H300-L302 PolarHBondContact O-N 2.97Å; H300-S303 PolarHBondContact O-N 2.75Å; H300-A304 WeakPolarHBondContact O-CB 3.18Å; H300-A304 PolarHBondContact O-N 3.35Å
301	K	94.4	Very high	91	Very high	120 Å²	120	86.1 Å²	86.1	52%	0.522	42%	0.42	S	S	.	.	H	α-helix	trans	-62.9	-40.6	177.3	-170.8	177.7	-176.1	177.3	0	112.1	T297 R298 L299 K305	T297-K301 WeakPolarHBondContact O-CB 3.38Å; T297-K301 PolarHBondContact O-N 2.85Å; R298-K301 PolarHBondContact O-N 2.92Å; L299-K301 VanDerWaalsContact C-N 3.33Å; L299-K301 PolarHBondContact O-N 2.84Å; K301-K305 WeakPolarHBondContact O-CB 3.45Å; K301-K305 WeakPolarHBondContact O-CG 3.27Å; K301-K305 PolarHBondContact O-N 2.89Å
302	L	92.6	Very high	92.2	Very high	34 Å²	34	82.7 Å²	82.7	18%	0.178	41%	0.409	C	S	.	.	H	α-helix	trans	-63.6	-48.9	176.9	-177.5	148.6	0	0	0	110.9	D273 A276 V277 R298 L299 H300 A304 K305 R306	D273-L302 HydrophobicContact CB-CD2 4.12Å; A276-L302 HydrophobicContact CB-CD1 4.18Å; V277-L302 HydrophobicContact CG2-CD1 4.16Å; R298-L302 WeakPolarHBondContact O-CB 3.46Å; R298-L302 PolarHBondContact O-N 3.27Å; L299-L302 PolarHBondContact O-N 3.48Å; H300-L302 PolarHBondContact O-N 2.97Å; L302-A304 PolarHBondContact O-N 3.41Å; L302-K305 PolarHBondContact O-N 3.41Å; L302-R306 PolarHBondContact O-N 3.48Å
303	S	92.9	Very high	93.1	Very high	47 Å²	47	78.9 Å²	78.9	33%	0.329	38%	0.377	S	S	.	.	H	α-helix	trans	-61.9	-44.8	178.7	-170.5	0	0	0	0	112	L299 H300 R306 E307	L299-S303 PolarHBondContact O-N 3.02Å; H300-S303 PolarHBondContact O-N 2.75Å; S303-R306 PolarHBondContact O-N 3.05Å; S303-E307 WeakPolarHBondContact O-CB 3.33Å; S303-E307 PolarHBondContact O-N 3.37Å
304	A	94.9	Very high	93.8	Very high	43 Å²	43	73.2 Å²	73.2	36%	0.355	35%	0.351	S	S	.	.	H	α-helix	trans	-63.5	-43.1	179.4	0	0	0	0	0	112.2	H300 L302 E307 E308	H300-A304 WeakPolarHBondContact O-CB 3.18Å; H300-A304 PolarHBondContact O-N 3.35Å; L302-A304 PolarHBondContact O-N 3.41Å; A304-E307 PolarHBondContact O-N 3.03Å; A304-E308 WeakPolarHBondContact O-CB 3.47Å; A304-E308 PolarHBondContact O-N 2.92Å
305	K	95.5	Very high	94.4	Very high	103 Å²	103	76.2 Å²	76.2	45%	0.448	36%	0.364	S	S	.	.	H	α-helix	trans	-62.6	-43	175.8	-79.9	-174.3	167.1	-159.2	0	112.6	K301 L302 E307 E308 R309	K301-K305 WeakPolarHBondContact O-CB 3.45Å; K301-K305 WeakPolarHBondContact O-CG 3.27Å; K301-K305 PolarHBondContact O-N 2.89Å; L302-K305 PolarHBondContact O-N 3.41Å; K305-E307 VanDerWaalsContact C-N 3.34Å; K305-E308 PolarHBondContact O-N 2.77Å; K305-R309 WeakPolarHBondContact O-CG 3.46Å; K305-R309 PolarHBondContact O-N 3.34Å
306	R	94.7	Very high	95	Very high	34 Å²	34	73.4 Å²	73.4	13%	0.128	36%	0.359	C	S	.	.	H	α-helix	trans	-61.5	-45.1	175	174.8	174.3	65.4	-145.3	-3.1	110.8	D182 D273 L302 S303 R309 V310	D182-R306 HydrophobicContact CB-CG 4.25Å; D182-R306 WeakPolarHBondContact OD1-CG 3.3Å; D273-R306 IonicContact OD1-CZ 3.58Å; D273-R306 IonicContact OD1-NH1 2.85Å; D273-R306 PolarHBondContact OD1-NH1 3.45Å; D273-R306 IonicContact OD1-NH2 3.45Å; D273-R306 IonicContact OD2-CZ 3.34Å; D273-R306 IonicContact OD2-NH1 3.72Å; D273-R306 PolarHBondContact OD2-NH1 3.18Å; D273-R306 IonicContact OD2-NH2 2.77Å; D273-R306 PolarHBondContact OD2-NH2 3.11Å; L302-R306 PolarHBondContact O-N 3.48Å; S303-R306 PolarHBondContact O-N 3.05Å; R306-R309 PolarHBondContact O-N 3.41Å; R306-V310 HydrophobicContact CG-CG2 4.19Å; R306-V310 WeakPolarHBondContact O-CB 3.33Å; R306-V310 VanDerWaalsContact O-CG2 3.25Å; R306-V310 WeakPolarHBondContact O-CG2 3.44Å; R306-V310 PolarHBondContact O-N 3.32Å
307	E	95.1	Very high	95.5	Very high	119 Å²	119	63.9 Å²	63.9	56%	0.556	32%	0.323	S	S	*	.	H	α-helix	trans	-61.8	-44.1	179.1	-174.2	170.2	-167.8	0	0	112	S303 A304 K305 V310 Q311	S303-E307 WeakPolarHBondContact O-CB 3.33Å; S303-E307 PolarHBondContact O-N 3.37Å; A304-E307 PolarHBondContact O-N 3.03Å; K305-E307 VanDerWaalsContact C-N 3.34Å; E307-V310 PolarHBondContact O-N 2.77Å; E307-Q311 HydrophobicContact CG-CG 4.47Å; E307-Q311 WeakPolarHBondContact O-CB 3.42Å; E307-Q311 VanDerWaalsContact O-CG 3.25Å; E307-Q311 WeakPolarHBondContact O-CG 3.25Å; E307-Q311 PolarHBondContact O-N 2.93Å
308	E	97.3	Very high	95.7	Very high	146 Å²	146	62.9 Å²	62.9	68%	0.682	31%	0.312	S	S	*	.	H	α-helix	trans	-57.4	-50.7	175.1	-176.3	-177.9	-177.3	0	0	111.8	A304 K305 Q311 G312	A304-E308 WeakPolarHBondContact O-CB 3.47Å; A304-E308 PolarHBondContact O-N 2.92Å; K305-E308 PolarHBondContact O-N 2.77Å; E308-Q311 PolarHBondContact O-N 2.93Å; E308-G312 PolarHBondContact O-N 2.94Å
309	R	97.6	Very high	96	Very high	56 Å²	56	64.9 Å²	64.9	21%	0.211	33%	0.327	C	S	.	.	H	α-helix	trans	-60.9	-46.6	177.1	-74.5	-170.3	-59.9	-114.3	8.4	112.6	E179 D182 K305 R306 Q311 G312 F313	E179-R309 VanDerWaalsContact CD-NH2 3.27Å; E179-R309 IonicContact OE1-CZ 3.8Å; E179-R309 IonicContact OE1-NH1 3.95Å; E179-R309 PolarHBondContact OE1-NH1 3.43Å; E179-R309 IonicContact OE1-NH2 3.18Å; E179-R309 IonicContact OE2-CZ 3.78Å; E179-R309 IonicContact OE2-NH1 3.54Å; E179-R309 PolarHBondContact OE2-NH1 2.82Å; E179-R309 IonicContact OE2-NH2 3.16Å; E179-R309 PolarHBondContact OE2-NH2 3.05Å; D182-R309 IonicContact OD1-CZ 3.63Å; D182-R309 IonicContact OD1-NE 3.56Å; D182-R309 IonicContact OD1-NH2 3.63Å; D182-R309 PolarHBondContact OD1-NH2 3.48Å; D182-R309 IonicContact OD2-CZ 2.78Å; D182-R309 IonicContact OD2-NE 2.74Å; D182-R309 PolarHBondContact OD2-NE 3.1Å; D182-R309 IonicContact OD2-NH2 3.27Å; D182-R309 PolarHBondContact OD2-NH2 3.03Å; K305-R309 WeakPolarHBondContact O-CG 3.46Å; K305-R309 PolarHBondContact O-N 3.34Å; R306-R309 PolarHBondContact O-N 3.41Å; R309-Q311 VanDerWaalsContact C-N 3.33Å; R309-Q311 PolarHBondContact O-N 3.09Å; R309-G312 PolarHBondContact O-N 3.44Å; R309-F313 WeakPolarHBondContact O-CB 3.41Å; R309-F313 PolarHBondContact O-N 3.01Å
310	V	97.4	Very high	96.1	Very high	18 Å²	18	66.9 Å²	66.9	11%	0.109	33%	0.334	C	S	.	.	H	α-helix	trans	-60	-43.8	178.3	164.8	0	0	0	0	110.9	L178 D182 L187 R306 E307 F313 L314	L178-V310 HydrophobicContact CD2-CG2 4.15Å; D182-V310 HydrophobicContact CB-CG2 4.35Å; L187-V310 HydrophobicContact CD1-CG1 3.9Å; L187-V310 HydrophobicContact CD1-CG2 4.43Å; L187-V310 HydrophobicContact CD2-CG2 4.41Å; R306-V310 HydrophobicContact CG-CG2 4.19Å; R306-V310 WeakPolarHBondContact O-CB 3.33Å; R306-V310 VanDerWaalsContact O-CG2 3.25Å; R306-V310 WeakPolarHBondContact O-CG2 3.44Å; R306-V310 PolarHBondContact O-N 3.32Å; E307-V310 PolarHBondContact O-N 2.77Å; V310-F313 PolarHBondContact O-N 2.95Å; V310-L314 HydrophobicContact CG1-CD1 3.77Å; V310-L314 HydrophobicContact CG1-CG 4.29Å; V310-L314 WeakPolarHBondContact O-CB 3.34Å; V310-L314 WeakPolarHBondContact O-CG 3.42Å; V310-L314 PolarHBondContact O-N 3.46Å
311	Q	97.5	Very high	96.2	Very high	83 Å²	83	62.6 Å²	62.6	39%	0.388	31%	0.313	S	S	.	.	H	α-helix	trans	-64	-43.9	176.9	-71.1	-68.4	-7.8	0	0	111.9	E307 E308 R309 F313 L314 Q315	E307-Q311 HydrophobicContact CG-CG 4.47Å; E307-Q311 WeakPolarHBondContact O-CB 3.42Å; E307-Q311 VanDerWaalsContact O-CG 3.25Å; E307-Q311 WeakPolarHBondContact O-CG 3.25Å; E307-Q311 PolarHBondContact O-N 2.93Å; E308-Q311 PolarHBondContact O-N 2.93Å; R309-Q311 VanDerWaalsContact C-N 3.33Å; R309-Q311 PolarHBondContact O-N 3.09Å; Q311-F313 PolarHBondContact O-N 3.41Å; Q311-L314 PolarHBondContact O-N 2.94Å; Q311-Q315 WeakPolarHBondContact O-CG 3.48Å; Q311-Q315 PolarHBondContact O-N 3.14Å
312	G	98	Very high	96.1	Very high	31 Å²	31	59.4 Å²	59.4	32%	0.32	31%	0.309	S	S	.	.	H	α-helix	trans	-59.5	-45.2	175.3	0	0	0	0	0	112.4	E308 R309 Q315 A316	E308-G312 PolarHBondContact O-N 2.94Å; R309-G312 PolarHBondContact O-N 3.44Å; G312-Q315 PolarHBondContact O-N 3.33Å; G312-A316 PolarHBondContact O-N 3.42Å; G312-A316 VanDerWaalsContact O-N 3.1Å
313	F	98.5	Very high	96.1	Very high	1 Å²	1	62.5 Å²	62.5	0%	0.004	33%	0.325	C	S	.	.	H	α-helix	trans	-60.9	-46.6	175	165.1	-101.6	0	0	0	112.6	E168 M169 W171 L177 L178 L187 C191 R309 V310 Q311 Q315 A316 L317	E168-F313 VanDerWaalsContact O-CE2 3.32Å; E168-F313 WeakPolarHBondContact O-CE2 3.46Å; M169-F313 HydrophobicContact CG-CZ 4.47Å; W171-F313 AromaticContact CE3-CE2 3.86Å; W171-F313 HydrophobicContact CE3-CE2 3.86Å; W171-F313 HydrophobicContact CZ3-CD2 4.21Å; W171-F313 AromaticContact CZ3-CE2 3.86Å; W171-F313 HydrophobicContact CZ3-CE2 3.86Å; L177-F313 HydrophobicContact CB-CB 4.18Å; L177-F313 HydrophobicContact CB-CD2 4.43Å; L177-F313 HydrophobicContact CD1-CD2 4.49Å; L178-F313 HydrophobicContact CD1-CB 4.3Å; L178-F313 HydrophobicContact CD1-CD1 3.8Å; L178-F313 HydrophobicContact CD1-CD2 3.69Å; L178-F313 HydrophobicContact CD1-CE1 4Å; L178-F313 HydrophobicContact CD1-CE2 3.89Å; L178-F313 HydrophobicContact CD1-CG 3.63Å; L178-F313 HydrophobicContact CD1-CZ 4.04Å; L178-F313 HydrophobicContact CD2-CB 3.7Å; L178-F313 HydrophobicContact CD2-CD1 4.19Å; L178-F313 HydrophobicContact CD2-CG 3.92Å; L178-F313 HydrophobicContact CG-CB 3.8Å; L178-F313 HydrophobicContact CG-CD1 4.22Å; L178-F313 HydrophobicContact CG-CD2 3.91Å; L178-F313 HydrophobicContact CG-CG 3.69Å; L187-F313 HydrophobicContact CD1-CD1 3.9Å; L187-F313 HydrophobicContact CD1-CE1 3.91Å; C191-F313 VanDerWaalsContact SG-CE1 3.6Å; R309-F313 WeakPolarHBondContact O-CB 3.41Å; R309-F313 PolarHBondContact O-N 3.01Å; V310-F313 PolarHBondContact O-N 2.95Å; Q311-F313 PolarHBondContact O-N 3.41Å; F313-Q315 VanDerWaalsContact C-N 3.31Å; F313-Q315 PolarHBondContact O-N 2.95Å; F313-A316 PolarHBondContact O-N 3.35Å; F313-L317 HydrophobicContact CE1-CD2 4.17Å; F313-L317 HydrophobicContact CZ-CB 4.48Å; F313-L317 HydrophobicContact CZ-CD2 4.04Å; F313-L317 WeakPolarHBondContact O-CB 3.33Å; F313-L317 PolarHBondContact O-N 3.22Å
314	L	98.2	Very high	95.9	Very high	22 Å²	22	65.3 Å²	65.3	12%	0.115	33%	0.329	C	S	.	.	H	α-helix	trans	-63.1	-38.7	-179.2	-70.6	170	0	0	0	111.8	L187 K190 V310 Q311 L317 E318	L187-L314 HydrophobicContact CD1-CD2 4.17Å; L187-L314 HydrophobicContact CD1-CG 4.48Å; K190-L314 HydrophobicContact CB-CD2 3.68Å; K190-L314 HydrophobicContact CD-CD1 3.54Å; K190-L314 HydrophobicContact CD-CD2 4.15Å; V310-L314 HydrophobicContact CG1-CD1 3.77Å; V310-L314 HydrophobicContact CG1-CG 4.29Å; V310-L314 WeakPolarHBondContact O-CB 3.34Å; V310-L314 WeakPolarHBondContact O-CG 3.42Å; V310-L314 PolarHBondContact O-N 3.46Å; Q311-L314 PolarHBondContact O-N 2.94Å; L314-L317 PolarHBondContact O-N 2.99Å; L314-E318 WeakPolarHBondContact O-CG 3.27Å; L314-E318 PolarHBondContact O-N 2.93Å
315	Q	97.8	Very high	95.6	Very high	124 Å²	124	64.8 Å²	64.8	58%	0.579	32%	0.32	S	S	*	.	H	α-helix	trans	-62.9	-44.4	174.1	-70.6	172.4	9.6	0	0	111.6	Q311 G312 F313 L317 E318 L319	Q311-Q315 WeakPolarHBondContact O-CG 3.48Å; Q311-Q315 PolarHBondContact O-N 3.14Å; G312-Q315 PolarHBondContact O-N 3.33Å; F313-Q315 VanDerWaalsContact C-N 3.31Å; F313-Q315 PolarHBondContact O-N 2.95Å; Q315-L317 VanDerWaalsContact C-N 3.33Å; Q315-L317 PolarHBondContact O-N 2.9Å; Q315-E318 PolarHBondContact O-N 2.93Å; Q315-L319 WeakPolarHBondContact O-CG 3.44Å; Q315-L319 PolarHBondContact O-N 3.06Å
316	A	97.9	Very high	95.2	Very high	25 Å²	25	62 Å²	62	21%	0.207	32%	0.316	C	S	.	.	H	α-helix	trans	-63.7	-38.5	176.5	0	0	0	0	0	112.2	W171 L177 G312 F313 L319 K320	W171-A316 HydrophobicContact CH2-CB 4.07Å; L177-A316 HydrophobicContact CD1-CB 3.78Å; G312-A316 PolarHBondContact O-N 3.42Å; G312-A316 VanDerWaalsContact O-N 3.1Å; F313-A316 PolarHBondContact O-N 3.35Å; A316-L319 PolarHBondContact O-N 3.03Å; A316-K320 WeakPolarHBondContact O-CB 3.48Å; A316-K320 PolarHBondContact O-N 3.27Å
317	L	97.6	Very high	94.9	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-65.9	-42.9	176.3	180	59.4	0	0	0	112	E168 C191 F313 L314 Q315 K320 R321	E168-L317 HydrophobicContact CB-CD1 4.16Å; E168-L317 HydrophobicContact CB-CD2 4.46Å; E168-L317 HydrophobicContact CG-CD1 3.95Å; E168-L317 WeakPolarHBondContact OE2-CD1 3.47Å; C191-L317 HydrophobicContact CB-CD2 4.42Å; F313-L317 HydrophobicContact CE1-CD2 4.17Å; F313-L317 HydrophobicContact CZ-CB 4.48Å; F313-L317 HydrophobicContact CZ-CD2 4.04Å; F313-L317 WeakPolarHBondContact O-CB 3.33Å; F313-L317 PolarHBondContact O-N 3.22Å; L314-L317 PolarHBondContact O-N 2.99Å; Q315-L317 VanDerWaalsContact C-N 3.33Å; Q315-L317 PolarHBondContact O-N 2.9Å; L317-K320 PolarHBondContact O-N 2.96Å; L317-R321 WeakPolarHBondContact O-CG 3.36Å; L317-R321 PolarHBondContact O-N 3.45Å
318	E	95.9	Very high	94.3	Very high	64 Å²	64	62 Å²	62	30%	0.299	32%	0.321	S	S	.	.	H	α-helix	trans	-64.3	-40.3	175.7	-73.3	-58	148.2	0	0	112	N195 H196 L314 Q315 R321 A322	N195-E318 PolarHBondContact ND2-OE1 3.09Å; H196-E318 IonicContact CE1-OE1 2.7Å; H196-E318 IonicContact CE1-OE2 3.59Å; H196-E318 IonicContact NE2-OE1 3.85Å; H196-E318 IonicContact NE2-OE2 3.48Å; L314-E318 WeakPolarHBondContact O-CG 3.27Å; L314-E318 PolarHBondContact O-N 2.93Å; Q315-E318 PolarHBondContact O-N 2.93Å; E318-R321 PolarHBondContact O-N 3.29Å; E318-R321 IonicContact OE1-NH1 3.57Å; E318-R321 PolarHBondContact OE1-NH1 3.44Å; E318-A322 WeakPolarHBondContact O-CB 3.35Å; E318-A322 PolarHBondContact O-N 2.6Å
319	L	96.1	Very high	92.9	Very high	111 Å²	111	56.6 Å²	56.6	58%	0.581	31%	0.305	S	S	*	.	H	α-helix	trans	-60.4	-48.3	172.6	-73.6	165.9	0	0	0	111.3	Q315 A316 R321 A322 D323	Q315-L319 WeakPolarHBondContact O-CG 3.44Å; Q315-L319 PolarHBondContact O-N 3.06Å; A316-L319 PolarHBondContact O-N 3.03Å; L319-R321 VanDerWaalsContact C-N 3.26Å; L319-R321 PolarHBondContact O-N 3.3Å; L319-A322 PolarHBondContact O-N 2.89Å; L319-A322 VanDerWaalsContact O-N 3.13Å; L319-D323 WeakPolarHBondContact O-CB 3.41Å; L319-D323 VanDerWaalsContact O-CG 3.28Å; L319-D323 PolarHBondContact O-N 2.83Å
320	K	95.5	Very high	91.4	Very high	79 Å²	79	59 Å²	59	34%	0.343	33%	0.326	S	S	.	.	H	α-helix	trans	-56.1	-40.8	177.4	-171	-175.4	115.4	176.1	0	112.3	E168 W171 A316 L317 W324	E168-K320 IonicContact OE1-NZ 3.67Å; E168-K320 PolarHBondContact OE1-NZ 2.76Å; E168-K320 WeakPolarHBondContact OE2-CE 3.45Å; E168-K320 IonicContact OE2-NZ 3.03Å; E168-K320 PolarHBondContact OE2-NZ 2.9Å; W171-K320 HydrophobicContact CH2-CD 4.36Å; W171-K320 HydrophobicContact CZ2-CD 4.29Å; A316-K320 WeakPolarHBondContact O-CB 3.48Å; A316-K320 PolarHBondContact O-N 3.27Å; L317-K320 PolarHBondContact O-N 2.96Å; K320-W324 PolarHBondContact O-N 3.16Å
321	R	94.3	Very high	89	Confident	55 Å²	55	60.1 Å²	60.1	21%	0.208	34%	0.337	C	S	.	.	H	α-helix	trans	-68.8	-43.7	177.1	-72.8	166.5	170.9	-175.2	-8.3	112	C191 L192 N195 L317 E318 L319 D323 W324 L325	C191-R321 PolarHBondContact O-NH2 3.14Å; L192-R321 PolarHBondContact O-NH2 2.99Å; N195-R321 VanDerWaalsContact CG-NH1 3.32Å; N195-R321 PolarHBondContact ND2-NH1 3.45Å; L317-R321 WeakPolarHBondContact O-CG 3.36Å; L317-R321 PolarHBondContact O-N 3.45Å; E318-R321 PolarHBondContact O-N 3.29Å; E318-R321 IonicContact OE1-NH1 3.57Å; E318-R321 PolarHBondContact OE1-NH1 3.44Å; L319-R321 VanDerWaalsContact C-N 3.26Å; L319-R321 PolarHBondContact O-N 3.3Å; R321-D323 VanDerWaalsContact C-N 3.35Å; R321-W324 PolarHBondContact O-N 2.94Å; R321-L325 PolarHBondContact O-N 2.99Å; R321-L325 VanDerWaalsContact O-N 3.1Å
322	A	92.1	Very high	86.2	Confident	53 Å²	53	62.2 Å²	62.2	44%	0.438	36%	0.358	S	S	.	.	H	α-helix	trans	-63.7	-40.5	177.6	0	0	0	0	0	111.9	E318 L319 L325 A326	E318-A322 WeakPolarHBondContact O-CB 3.35Å; E318-A322 PolarHBondContact O-N 2.6Å; L319-A322 PolarHBondContact O-N 2.89Å; L319-A322 VanDerWaalsContact O-N 3.13Å; A322-L325 PolarHBondContact O-N 2.96Å; A322-A326 WeakPolarHBondContact O-CB 3.44Å; A322-A326 PolarHBondContact O-N 3.28Å
323	D	92.8	Very high	83.4	Confident	99 Å²	99	69.1 Å²	69.1	53%	0.529	41%	0.412	S	S	.	.	H	α-helix	trans	-63.6	-45.3	178	-72.4	-15.2	0	0	0	111.4	L319 R321 L325 A326 L327	L319-D323 WeakPolarHBondContact O-CB 3.41Å; L319-D323 VanDerWaalsContact O-CG 3.28Å; L319-D323 PolarHBondContact O-N 2.83Å; R321-D323 VanDerWaalsContact C-N 3.35Å; D323-L325 VanDerWaalsContact C-N 3.33Å; D323-L325 PolarHBondContact O-N 3.45Å; D323-A326 PolarHBondContact O-N 3.34Å; D323-L327 WeakPolarHBondContact O-CB 3.49Å; D323-L327 VanDerWaalsContact O-CG 3.27Å; D323-L327 WeakPolarHBondContact O-CG 3.38Å; D323-L327 PolarHBondContact O-N 3.16Å
324	W	89.8	Confident	82.7	Confident	106 Å²	106	72.6 Å²	72.6	40%	0.402	43%	0.433	S	S	.	.	H	α-helix	trans	-60.9	-42.9	175.8	-175.3	83.7	0	0	0	112	L124 K320 R321 L328	L124-W324 HydrophobicContact CB-CH2 3.72Å; L124-W324 HydrophobicContact CB-CZ2 4.46Å; L124-W324 HydrophobicContact CD1-CH2 4.05Å; L124-W324 HydrophobicContact CD1-CZ3 4.15Å; L124-W324 HydrophobicContact CG-CH2 4.44Å; K320-W324 PolarHBondContact O-N 3.16Å; R321-W324 PolarHBondContact O-N 2.94Å; W324-L328 HydrophobicContact CD2-CD1 3.94Å; W324-L328 HydrophobicContact CE3-CD1 3.98Å; W324-L328 HydrophobicContact CH2-CD1 3.24Å; W324-L328 HydrophobicContact CZ2-CD1 3.22Å; W324-L328 HydrophobicContact CZ2-CG 4.48Å; W324-L328 HydrophobicContact CZ3-CD1 3.65Å; W324-L328 PolarHBondContact O-N 3.07Å
325	L	87.4	Confident	81.9	Confident	31 Å²	31	75.2 Å²	75.2	16%	0.162	45%	0.449	C	S	.	.	H	α-helix	trans	-64.9	-40.6	176.8	-173.2	69.5	0	0	0	111.9	A136 V139 R321 A322 D323 G329	A136-L325 HydrophobicContact CB-CD1 3.81Å; V139-L325 HydrophobicContact CB-CD1 4.29Å; V139-L325 HydrophobicContact CG1-CD1 4.29Å; V139-L325 HydrophobicContact CG1-CD2 3.96Å; R321-L325 PolarHBondContact O-N 2.99Å; R321-L325 VanDerWaalsContact O-N 3.1Å; A322-L325 PolarHBondContact O-N 2.96Å; D323-L325 VanDerWaalsContact C-N 3.33Å; D323-L325 PolarHBondContact O-N 3.45Å; L325-G329 PolarHBondContact O-N 3.29Å
326	A	87.2	Confident	81	Confident	44 Å²	44	72.5 Å²	72.5	36%	0.364	44%	0.442	S	S	.	.	H	α-helix	trans	-65.9	-44.1	178.6	0	0	0	0	0	111.6	A322 D323 L328 G329 T330	A322-A326 WeakPolarHBondContact O-CB 3.44Å; A322-A326 PolarHBondContact O-N 3.28Å; D323-A326 PolarHBondContact O-N 3.34Å; A326-L328 VanDerWaalsContact C-N 3.32Å; A326-L328 PolarHBondContact O-N 3.42Å; A326-G329 PolarHBondContact O-N 2.86Å; A326-G329 VanDerWaalsContact O-N 3.09Å; A326-T330 WeakPolarHBondContact O-CG2 3.5Å; A326-T330 PolarHBondContact O-N 3.03Å; A326-T330 VanDerWaalsContact O-N 3.13Å; A326-T330 PolarHBondContact O-OG1 3.23Å
327	L	88.7	Confident	80	Confident	130 Å²	130	75.3 Å²	75.3	68%	0.681	46%	0.456	S	S	*	.	H	α-helix	trans	-57.7	-43.4	178.3	-74.9	167.1	0	0	0	112.1	D323 T330	D323-L327 WeakPolarHBondContact O-CB 3.49Å; D323-L327 VanDerWaalsContact O-CG 3.27Å; D323-L327 WeakPolarHBondContact O-CG 3.38Å; D323-L327 PolarHBondContact O-N 3.16Å; L327-T330 PolarHBondContact O-OG1 3.43Å; L327-T330 VanDerWaalsContact O-OG1 3.11Å
328	L	82.7	Confident	78.9	Confident	23 Å²	23	80 Å²	80	12%	0.12	48%	0.484	C	S	.	.	H	α-helix	trans	-74.6	-25.8	176.6	-71.3	175.3	0	0	0	113.5	L129 Q132 A136 W324 A326	L129-L328 HydrophobicContact CD1-CD2 4.02Å; Q132-L328 HydrophobicContact CB-CD1 4.28Å; Q132-L328 HydrophobicContact CB-CD2 4.47Å; A136-L328 HydrophobicContact CB-CB 3.79Å; W324-L328 HydrophobicContact CD2-CD1 3.94Å; W324-L328 HydrophobicContact CE3-CD1 3.98Å; W324-L328 HydrophobicContact CH2-CD1 3.24Å; W324-L328 HydrophobicContact CZ2-CD1 3.22Å; W324-L328 HydrophobicContact CZ2-CG 4.48Å; W324-L328 HydrophobicContact CZ3-CD1 3.65Å; W324-L328 PolarHBondContact O-N 3.07Å; A326-L328 VanDerWaalsContact C-N 3.32Å; A326-L328 PolarHBondContact O-N 3.42Å
329	G	68.1	Low	77.7	Confident	33 Å²	33	81.1 Å²	81.1	34%	0.34	50%	0.497	S	S	.	.	H	α-helix	trans	-82.1	-12.3	179.2	0	0	0	0	0	114.9	L325 A326	L325-G329 PolarHBondContact O-N 3.29Å; A326-G329 PolarHBondContact O-N 2.86Å; A326-G329 VanDerWaalsContact O-N 3.09Å
330	T	66.1	Low	76.4	Confident	107 Å²	107	78.9 Å²	78.9	66%	0.656	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-0.7	-176.5	49.2	0	0	0	0	115.3	A326 L327	A326-T330 WeakPolarHBondContact O-CG2 3.5Å; A326-T330 PolarHBondContact O-N 3.03Å; A326-T330 VanDerWaalsContact O-N 3.13Å; A326-T330 PolarHBondContact O-OG1 3.23Å; L327-T330 PolarHBondContact O-OG1 3.43Å; L327-T330 VanDerWaalsContact O-OG1 3.11Å
331	A	46.5	Very low	74.9	Confident	42 Å²	42	78.9 Å²	78.9	35%	0.347	50%	0.502	S	S	.	.	S	Bend	trans	-66.4	126.6	175	0	0	0	0	0	109.9	E133 A333	E133-A331 HydrophobicContact CG-CB 4.26Å; E133-A331 WeakPolarHBondContact OE1-CB 3.23Å; A331-A333 PolarHBondContact O-N 3.12Å
332	P	39.2	Very low	73.3	Confident	127 Å²	127	80.9 Å²	80.9	83%	0.825	53%	0.527	S	S	*	.			trans	-63.8	131	177.8	24.9	-30.9	0	0	0	110
333	A	39.5	Very low	71.6	Confident	176 Å²	176	83.5 Å²	83.5	100%	1.455	54%	0.535	S	S	*	.			trans	-61.7	0	179.9	0	0	0	0	0	114	A331	A331-A333 PolarHBondContact O-N 3.12Å

Retrieved 333 of 333 residues in 222 ms (Link to these results)

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