A0A096M5F6_POEFO Loading...

Plasma membrane ascorbate-dependent reductase CYBRD1

AlphaFold DB , UniProt , Accession A0A096M5F6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 272 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	55.2	Low	82.1	Confident	107 Å²	107	92.5 Å²	92.5	53%	0.527	47%	0.47	S	S	.	.				0	121.8	0	-170.4	-178.9	-64.4	0	0	108	P227 L235	M1-P227 HydrophobicContact CE-CB 3.75Å; M1-P227 HydrophobicContact CE-CG 3.81Å; M1-P227 HydrophobicContact SD-CB 3.81Å; M1-P227 HydrophobicContact SD-CG 3.2Å; M1-P227 WeakPolarHBondContact SD-CG 3.32Å; M1-L235 HydrophobicContact CE-CD1 3.72Å
2	A	59.9	Low	83.3	Confident	96 Å²	96	85.6 Å²	85.6	79%	0.793	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-87.1	128.9	176.7	0	0	0	0	0	109	E4	A2-E4 PolarHBondContact O-N 3.47Å
3	M	72.2	Confident	84.4	Confident	13 Å²	13	81.6 Å²	81.6	6%	0.064	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-68	127.9	174.5	175.7	-171.7	-83.5	0	0	109.6	N5 L6 F9 R70 P72 W75 W224	M3-N5 PolarHBondContact O-N 3.41Å; M3-L6 HydrophobicContact CB-CB 4.39Å; M3-L6 HydrophobicContact CB-CD1 4.34Å; M3-L6 PolarHBondContact O-N 3.14Å; M3-L6 HydrophobicContact SD-CD1 4.15Å; M3-F9 HydrophobicContact CE-CB 4.45Å; M3-F9 HydrophobicContact CE-CD1 4.16Å; M3-F9 HydrophobicContact CE-CD2 3.82Å; M3-F9 HydrophobicContact CE-CE1 4.41Å; M3-F9 HydrophobicContact CE-CE2 4.06Å; M3-F9 HydrophobicContact CE-CG 3.87Å; M3-F9 HydrophobicContact CE-CZ 4.35Å; M3-F9 HydrophobicContact SD-CB 3.4Å; M3-F9 WeakPolarHBondContact SD-CB 3.49Å; M3-F9 HydrophobicContact SD-CD1 3.9Å; M3-F9 HydrophobicContact SD-CD2 3.88Å; M3-F9 HydrophobicContact SD-CG 3.43Å; M3-F9 WeakPolarHBondContact SD-CG 3.48Å; M3-R70 WeakPolarHBondContact CE-O 3.46Å; M3-P72 HydrophobicContact CB-CB 4.22Å; M3-P72 HydrophobicContact CE-CB 3.8Å; M3-P72 HydrophobicContact CE-CG 3.51Å; M3-P72 HydrophobicContact SD-CB 4.48Å; M3-P72 HydrophobicContact SD-CG 3.96Å; M3-W75 HydrophobicContact CB-CH2 3.75Å; M3-W75 HydrophobicContact CB-CZ3 3.93Å; M3-W75 HydrophobicContact CE-CH2 3.54Å; M3-W75 HydrophobicContact CE-CZ2 3.4Å; M3-W75 VanDerWaalsContact CE-CZ2 3.4Å; M3-W75 HydrophobicContact CG-CH2 3.91Å; M3-W224 HydrophobicContact CE-CB 4Å; M3-W224 HydrophobicContact CE-CG 4.15Å; M3-W224 VanDerWaalsContact SD-CD1 3.53Å; M3-W224 HydrophobicContact SD-CG 4.15Å
4	E	69.1	Low	85.4	Confident	142 Å²	142	81.4 Å²	81.4	66%	0.664	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	131.8	167.8	-70.9	-176.5	169.3	0	0	110.1	A2 L6	A2-E4 PolarHBondContact O-N 3.47Å; E4-L6 PolarHBondContact O-N 3.41Å
5	N	84.8	Confident	86.2	Confident	100 Å²	100	77.7 Å²	77.7	54%	0.535	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.8	36.9	-176.2	-55.4	-57.9	0	0	0	114.3	M3 K7 Q8 F9	M3-N5 PolarHBondContact O-N 3.41Å; N5-K7 PolarHBondContact O-N 3.49Å; N5-K7 VanDerWaalsContact O-N 3.14Å; N5-Q8 HydrophobicContact CB-CB 4.08Å; N5-Q8 WeakPolarHBondContact O-CB 3.38Å; N5-Q8 PolarHBondContact O-N 3Å; N5-F9 PolarHBondContact O-N 3.03Å
6	L	89.6	Confident	87	Confident	72 Å²	72	73 Å²	73	38%	0.377	39%	0.388	S	S	.	.	H	α-helix	trans	-48.9	-40.7	176.1	179.4	62.7	0	0	0	113.2	M3 E4 Q8 F9 L10 P72	M3-L6 HydrophobicContact CB-CB 4.39Å; M3-L6 HydrophobicContact CB-CD1 4.34Å; M3-L6 PolarHBondContact O-N 3.14Å; M3-L6 HydrophobicContact SD-CD1 4.15Å; E4-L6 PolarHBondContact O-N 3.41Å; L6-Q8 VanDerWaalsContact C-N 3.33Å; L6-Q8 PolarHBondContact O-N 3.48Å; L6-F9 PolarHBondContact O-N 3.23Å; L6-L10 HydrophobicContact CD1-CD1 4.29Å; L6-L10 HydrophobicContact CD1-CG 4.12Å; L6-L10 HydrophobicContact CG-CD1 4Å; L6-L10 HydrophobicContact CG-CG 4.28Å; L6-L10 WeakPolarHBondContact O-CB 3.4Å; L6-L10 VanDerWaalsContact O-CG 3.29Å; L6-L10 WeakPolarHBondContact O-CG 3.44Å; L6-L10 PolarHBondContact O-N 3.12Å; L6-P72 HydrophobicContact CD1-CB 4.42Å; L6-P72 HydrophobicContact CD1-CG 3.61Å
7	K	92.1	Very high	87.7	Confident	187 Å²	187	70.7 Å²	70.7	81%	0.813	39%	0.386	S	S	*	.	H	α-helix	trans	-59.8	-41.9	176.9	-67.5	-175.3	-179.5	-179.8	0	112.4	N5 L10 F11	N5-K7 PolarHBondContact O-N 3.49Å; N5-K7 VanDerWaalsContact O-N 3.14Å; K7-L10 PolarHBondContact O-N 3.12Å; K7-F11 WeakPolarHBondContact O-CB 3.3Å; K7-F11 PolarHBondContact O-N 2.97Å
8	Q	94	Very high	88.3	Confident	77 Å²	77	70 Å²	70	36%	0.36	39%	0.391	S	S	.	.	H	α-helix	trans	-69.2	-40.2	178.2	-169.1	-177.7	17.1	0	0	111.4	N5 L6 F11 A12 W224	N5-Q8 HydrophobicContact CB-CB 4.08Å; N5-Q8 WeakPolarHBondContact O-CB 3.38Å; N5-Q8 PolarHBondContact O-N 3Å; L6-Q8 VanDerWaalsContact C-N 3.33Å; L6-Q8 PolarHBondContact O-N 3.48Å; Q8-F11 PolarHBondContact O-N 3.21Å; Q8-A12 WeakPolarHBondContact O-CB 3.4Å; Q8-A12 PolarHBondContact O-N 2.93Å; Q8-W224 HydrophobicContact CB-CZ2 4.33Å; Q8-W224 HydrophobicContact CG-CZ2 4.21Å
9	F	94.4	Very high	88.8	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-60.4	-48.6	173.2	173.8	-92.8	0	0	0	111.5	M3 N5 L6 F11 A12 L13 R70 L71 P72 W73 I218 W224	M3-F9 HydrophobicContact CE-CB 4.45Å; M3-F9 HydrophobicContact CE-CD1 4.16Å; M3-F9 HydrophobicContact CE-CD2 3.82Å; M3-F9 HydrophobicContact CE-CE1 4.41Å; M3-F9 HydrophobicContact CE-CE2 4.06Å; M3-F9 HydrophobicContact CE-CG 3.87Å; M3-F9 HydrophobicContact CE-CZ 4.35Å; M3-F9 HydrophobicContact SD-CB 3.4Å; M3-F9 WeakPolarHBondContact SD-CB 3.49Å; M3-F9 HydrophobicContact SD-CD1 3.9Å; M3-F9 HydrophobicContact SD-CD2 3.88Å; M3-F9 HydrophobicContact SD-CG 3.43Å; M3-F9 WeakPolarHBondContact SD-CG 3.48Å; N5-F9 PolarHBondContact O-N 3.03Å; L6-F9 PolarHBondContact O-N 3.23Å; F9-F11 VanDerWaalsContact C-N 3.34Å; F9-F11 PolarHBondContact O-N 3.41Å; F9-A12 PolarHBondContact O-N 3.14Å; F9-L13 HydrophobicContact CE1-CB 4.33Å; F9-L13 HydrophobicContact CE1-CD2 3.85Å; F9-L13 HydrophobicContact CZ-CD2 4.23Å; F9-L13 VanDerWaalsContact O-CB 3.32Å; F9-L13 WeakPolarHBondContact O-CB 3.38Å; F9-L13 PolarHBondContact O-N 3.2Å; F9-R70 HydrophobicContact CE2-CB 4.2Å; F9-R70 WeakPolarHBondContact CE2-O 3.34Å; F9-R70 WeakPolarHBondContact CZ-O 3.31Å; F9-L71 HydrophobicContact CE1-CD2 4.49Å; F9-L71 HydrophobicContact CZ-CD2 4.03Å; F9-P72 HydrophobicContact CD1-CG 4.08Å; F9-P72 HydrophobicContact CE1-CG 3.95Å; F9-W73 HydrophobicContact CE1-CH2 4.13Å; F9-W73 HydrophobicContact CE1-CZ3 4.28Å; F9-I218 HydrophobicContact CD2-CG2 4.5Å; F9-I218 HydrophobicContact CE2-CG2 3.91Å; F9-W224 HydrophobicContact CB-CD2 4.2Å; F9-W224 HydrophobicContact CB-CH2 4.44Å; F9-W224 HydrophobicContact CB-CZ2 3.93Å; F9-W224 HydrophobicContact CD2-CB 4.21Å; F9-W224 AromaticContact CD2-CD2 3.61Å; F9-W224 HydrophobicContact CD2-CD2 3.61Å; F9-W224 AromaticContact CD2-CE3 3.67Å; F9-W224 HydrophobicContact CD2-CE3 3.67Å; F9-W224 AromaticContact CD2-CG 3.85Å; F9-W224 HydrophobicContact CD2-CG 3.85Å; F9-W224 HydrophobicContact CD2-CZ3 4.19Å; F9-W224 HydrophobicContact CE2-CE3 4.38Å; F9-W224 HydrophobicContact CG-CD2 4.39Å
10	L	95.6	Very high	89.3	Confident	66 Å²	66	64.5 Å²	64.5	35%	0.346	36%	0.361	S	S	.	.	H	α-helix	trans	-59.7	-45.4	178.4	-74	174.2	0	0	0	111.1	L6 K7 A12 L13 S14 W73	L6-L10 HydrophobicContact CD1-CD1 4.29Å; L6-L10 HydrophobicContact CD1-CG 4.12Å; L6-L10 HydrophobicContact CG-CD1 4Å; L6-L10 HydrophobicContact CG-CG 4.28Å; L6-L10 WeakPolarHBondContact O-CB 3.4Å; L6-L10 VanDerWaalsContact O-CG 3.29Å; L6-L10 WeakPolarHBondContact O-CG 3.44Å; L6-L10 PolarHBondContact O-N 3.12Å; K7-L10 PolarHBondContact O-N 3.12Å; L10-A12 PolarHBondContact O-N 2.86Å; L10-L13 PolarHBondContact O-N 3.2Å; L10-S14 VanDerWaalsContact O-CB 3.29Å; L10-S14 WeakPolarHBondContact O-CB 3.2Å; L10-S14 PolarHBondContact O-N 3.18Å; L10-S14 PolarHBondContact O-OG 3.42Å; L10-S14 VanDerWaalsContact O-OG 3.06Å; L10-W73 HydrophobicContact CD2-CH2 3.9Å; L10-W73 HydrophobicContact CD2-CZ3 3.66Å
11	F	96.4	Very high	89.7	Confident	158 Å²	158	67.5 Å²	67.5	69%	0.693	37%	0.371	S	S	*	.	H	α-helix	trans	-58.1	-49.2	175.1	177.8	-96.4	0	0	0	112	K7 Q8 F9 L13 S14 A15	K7-F11 WeakPolarHBondContact O-CB 3.3Å; K7-F11 PolarHBondContact O-N 2.97Å; Q8-F11 PolarHBondContact O-N 3.21Å; F9-F11 VanDerWaalsContact C-N 3.34Å; F9-F11 PolarHBondContact O-N 3.41Å; F11-L13 PolarHBondContact O-N 3.48Å; F11-S14 PolarHBondContact O-N 3.03Å; F11-A15 VanDerWaalsContact O-CB 3.27Å; F11-A15 WeakPolarHBondContact O-CB 3.39Å; F11-A15 PolarHBondContact O-N 3.48Å
12	A	97	Very high	91.8	Very high	9 Å²	9	65 Å²	65	7%	0.074	36%	0.361	C	S	.	.	H	α-helix	trans	-63.1	-42.5	179.3	0	0	0	0	0	112.2	Q8 F9 L10 A15 A16 I218 W224	Q8-A12 WeakPolarHBondContact O-CB 3.4Å; Q8-A12 PolarHBondContact O-N 2.93Å; F9-A12 PolarHBondContact O-N 3.14Å; L10-A12 PolarHBondContact O-N 2.86Å; A12-A15 PolarHBondContact O-N 3.28Å; A12-A16 WeakPolarHBondContact O-CB 3.24Å; A12-A16 PolarHBondContact O-N 3.43Å; A12-I218 HydrophobicContact CB-CD1 4.15Å; A12-I218 HydrophobicContact CB-CG1 3.98Å; A12-W224 HydrophobicContact CB-CH2 4.23Å; A12-W224 HydrophobicContact CB-CZ3 4.44Å
13	L	97.5	Very high	93.6	Very high	34 Å²	34	60.5 Å²	60.5	18%	0.178	32%	0.324	C	S	.	.	H	α-helix	trans	-65.1	-46.2	177.7	-179.8	69	0	0	0	111.5	F9 L10 F11 A15 A16 G17 I67 L71 W73	F9-L13 HydrophobicContact CE1-CB 4.33Å; F9-L13 HydrophobicContact CE1-CD2 3.85Å; F9-L13 HydrophobicContact CZ-CD2 4.23Å; F9-L13 VanDerWaalsContact O-CB 3.32Å; F9-L13 WeakPolarHBondContact O-CB 3.38Å; F9-L13 PolarHBondContact O-N 3.2Å; L10-L13 PolarHBondContact O-N 3.2Å; F11-L13 PolarHBondContact O-N 3.48Å; L13-A15 VanDerWaalsContact C-N 3.35Å; L13-A16 PolarHBondContact O-N 3.25Å; L13-G17 PolarHBondContact O-N 3.29Å; L13-I67 HydrophobicContact CD1-CD1 3.6Å; L13-L71 HydrophobicContact CD1-CD2 4.03Å; L13-L71 HydrophobicContact CD2-CD2 3.77Å; L13-W73 HydrophobicContact CD2-CH2 3.48Å; L13-W73 VanDerWaalsContact CD2-CH2 3.48Å; L13-W73 HydrophobicContact CD2-CZ2 3.76Å
14	S	97.8	Very high	94.9	Very high	79 Å²	79	61 Å²	61	55%	0.552	33%	0.327	S	S	*	.	H	α-helix	trans	-63.1	-41.8	176.9	-67.4	0	0	0	0	111.4	L10 F11 G17 A18	L10-S14 VanDerWaalsContact O-CB 3.29Å; L10-S14 WeakPolarHBondContact O-CB 3.2Å; L10-S14 PolarHBondContact O-N 3.18Å; L10-S14 PolarHBondContact O-OG 3.42Å; L10-S14 VanDerWaalsContact O-OG 3.06Å; F11-S14 PolarHBondContact O-N 3.03Å; S14-G17 PolarHBondContact O-N 3.28Å; S14-A18 VanDerWaalsContact O-CB 3.31Å; S14-A18 WeakPolarHBondContact O-CB 3.49Å; S14-A18 PolarHBondContact O-N 3.27Å
15	A	98.3	Very high	96.3	Very high	26 Å²	26	58.1 Å²	58.1	22%	0.215	32%	0.315	C	S	.	.	H	α-helix	trans	-62	-46.3	174.3	0	0	0	0	0	111.5	F11 A12 L13 G17 A18 V19 L214	F11-A15 VanDerWaalsContact O-CB 3.27Å; F11-A15 WeakPolarHBondContact O-CB 3.39Å; F11-A15 PolarHBondContact O-N 3.48Å; A12-A15 PolarHBondContact O-N 3.28Å; L13-A15 VanDerWaalsContact C-N 3.35Å; A15-G17 PolarHBondContact O-N 3.14Å; A15-A18 PolarHBondContact O-N 3.36Å; A15-V19 WeakPolarHBondContact O-CB 3.43Å; A15-V19 VanDerWaalsContact O-CG2 3.25Å; A15-V19 WeakPolarHBondContact O-CG2 3.32Å; A15-V19 PolarHBondContact O-N 3.09Å; A15-L214 HydrophobicContact CB-CD1 4.05Å; A15-L214 HydrophobicContact CB-CD2 4.44Å
16	A	98.5	Very high	97	Very high	2 Å²	2	55.4 Å²	55.4	2%	0.017	30%	0.299	C	S	.	.	H	α-helix	trans	-61.4	-45.2	177.5	0	0	0	0	0	111.5	A12 L13 G20 F211 L214 I215 I218	A12-A16 WeakPolarHBondContact O-CB 3.24Å; A12-A16 PolarHBondContact O-N 3.43Å; L13-A16 PolarHBondContact O-N 3.25Å; A16-G20 PolarHBondContact O-N 3.42Å; A16-F211 VanDerWaalsContact O-CD2 3.28Å; A16-F211 WeakPolarHBondContact O-CD2 3.29Å; A16-F211 WeakPolarHBondContact O-CE2 3.28Å; A16-L214 HydrophobicContact CB-CB 3.96Å; A16-L214 HydrophobicContact CB-CD1 4.38Å; A16-I215 HydrophobicContact CB-CD1 4.14Å; A16-I218 HydrophobicContact CB-CD1 4.23Å
17	G	98.1	Very high	97.4	Very high	34 Å²	34	52 Å²	52	35%	0.351	28%	0.281	S	S	.	.	H	α-helix	trans	-60.9	-46.5	176.6	0	0	0	0	0	112.4	L13 S14 A15 F21	L13-G17 PolarHBondContact O-N 3.29Å; S14-G17 PolarHBondContact O-N 3.28Å; A15-G17 PolarHBondContact O-N 3.14Å; G17-F21 VanDerWaalsContact O-CB 3.31Å; G17-F21 WeakPolarHBondContact O-CB 3.28Å; G17-F21 PolarHBondContact O-N 3.16Å
18	A	98.4	Very high	97.7	Very high	58 Å²	58	45.9 Å²	45.9	48%	0.479	26%	0.257	S	S	.	.	H	α-helix	trans	-63.9	-50.2	178.5	0	0	0	0	0	112	S14 A15 G20 F21 V22	S14-A18 VanDerWaalsContact O-CB 3.31Å; S14-A18 WeakPolarHBondContact O-CB 3.49Å; S14-A18 PolarHBondContact O-N 3.27Å; A15-A18 PolarHBondContact O-N 3.36Å; A18-G20 VanDerWaalsContact C-N 3.35Å; A18-G20 PolarHBondContact O-N 2.71Å; A18-F21 PolarHBondContact O-N 3.19Å; A18-V22 WeakPolarHBondContact O-CB 3.45Å; A18-V22 VanDerWaalsContact O-CG2 3.25Å; A18-V22 WeakPolarHBondContact O-CG2 3.29Å; A18-V22 PolarHBondContact O-N 2.72Å
19	V	98.6	Very high	98	Very high	28 Å²	28	48.7 Å²	48.7	17%	0.17	26%	0.264	C	S	.	.	H	α-helix	trans	-61.9	-43.8	179.5	175	0	0	0	0	110.9	A15 V22 A23 L207 V210 F211 L214	A15-V19 WeakPolarHBondContact O-CB 3.43Å; A15-V19 VanDerWaalsContact O-CG2 3.25Å; A15-V19 WeakPolarHBondContact O-CG2 3.32Å; A15-V19 PolarHBondContact O-N 3.09Å; V19-V22 PolarHBondContact O-N 3.07Å; V19-A23 WeakPolarHBondContact O-CB 3.44Å; V19-A23 PolarHBondContact O-N 3.14Å; V19-L207 HydrophobicContact CG1-CB 4.29Å; V19-L207 HydrophobicContact CG1-CD2 4.01Å; V19-L207 WeakPolarHBondContact CG1-O 3.15Å; V19-V210 HydrophobicContact CG1-CB 4.32Å; V19-V210 HydrophobicContact CG1-CG1 4.18Å; V19-V210 HydrophobicContact CG2-CG1 4.24Å; V19-F211 HydrophobicContact CG1-CB 3.95Å; V19-L214 HydrophobicContact CG2-CD1 4.27Å
20	G	98.4	Very high	98.2	Very high	2 Å²	2	48.9 Å²	48.9	2%	0.021	27%	0.265	C	S	.	.	H	α-helix	trans	-63	-43.1	177.6	0	0	0	0	0	112.9	A16 A18 A23 I24	A16-G20 PolarHBondContact O-N 3.42Å; A18-G20 VanDerWaalsContact C-N 3.35Å; A18-G20 PolarHBondContact O-N 2.71Å; G20-A23 WeakPolarHBondContact O-CB 3.4Å; G20-A23 PolarHBondContact O-N 3.48Å; G20-I24 PolarHBondContact O-N 3.28Å; G20-I24 VanDerWaalsContact O-N 3.11Å
21	F	98.4	Very high	98.3	Very high	127 Å²	127	45.8 Å²	45.8	56%	0.557	25%	0.249	S	C	*	.	H	α-helix	trans	-66.1	-41.6	176.7	-169	-105.5	0	0	0	112.1	G17 A18 A23 I24 I25	G17-F21 VanDerWaalsContact O-CB 3.31Å; G17-F21 WeakPolarHBondContact O-CB 3.28Å; G17-F21 PolarHBondContact O-N 3.16Å; A18-F21 PolarHBondContact O-N 3.19Å; F21-A23 VanDerWaalsContact C-N 3.32Å; F21-A23 PolarHBondContact O-N 3.22Å; F21-I24 PolarHBondContact O-N 3.14Å; F21-I25 HydrophobicContact CD1-CD1 3.75Å; F21-I25 HydrophobicContact CD1-CG1 4.46Å; F21-I25 HydrophobicContact CE1-CD1 3.58Å; F21-I25 HydrophobicContact CE1-CG1 4.3Å; F21-I25 HydrophobicContact CZ-CD1 4.43Å; F21-I25 WeakPolarHBondContact O-CG1 3.43Å; F21-I25 PolarHBondContact O-N 3.16Å
22	V	98.7	Very high	98.4	Very high	55 Å²	55	43.3 Å²	43.3	33%	0.333	24%	0.242	S	C	.	.	H	α-helix	trans	-62.6	-39.4	174	173.8	0	0	0	0	110.9	A18 V19 I24 I25 F26 L207	A18-V22 WeakPolarHBondContact O-CB 3.45Å; A18-V22 VanDerWaalsContact O-CG2 3.25Å; A18-V22 WeakPolarHBondContact O-CG2 3.29Å; A18-V22 PolarHBondContact O-N 2.72Å; V19-V22 PolarHBondContact O-N 3.07Å; V22-I24 VanDerWaalsContact C-N 3.32Å; V22-I24 PolarHBondContact O-N 2.96Å; V22-I25 PolarHBondContact O-N 3.46Å; V22-F26 HydrophobicContact CG1-CD2 3.66Å; V22-F26 HydrophobicContact CG1-CE2 3.56Å; V22-F26 VanDerWaalsContact O-CD2 3.24Å; V22-F26 WeakPolarHBondContact O-CD2 3.41Å; V22-F26 PolarHBondContact O-N 3.46Å; V22-L207 HydrophobicContact CG1-CD1 3.88Å
23	A	98.8	Very high	98.4	Very high	2 Å²	2	48.7 Å²	48.7	2%	0.017	27%	0.265	C	S	.	.	H	α-helix	trans	-61	-39.1	175.1	0	0	0	0	0	112.5	V19 G20 F21 F26 V27 V55 L204 L207 L208	V19-A23 WeakPolarHBondContact O-CB 3.44Å; V19-A23 PolarHBondContact O-N 3.14Å; G20-A23 WeakPolarHBondContact O-CB 3.4Å; G20-A23 PolarHBondContact O-N 3.48Å; F21-A23 VanDerWaalsContact C-N 3.32Å; F21-A23 PolarHBondContact O-N 3.22Å; A23-F26 PolarHBondContact O-N 2.83Å; A23-V27 PolarHBondContact O-N 2.86Å; A23-V55 HydrophobicContact CB-CG1 4.47Å; A23-L204 HydrophobicContact CB-CD1 3.99Å; A23-L204 WeakPolarHBondContact O-CD1 3.45Å; A23-L207 HydrophobicContact CB-CB 4.25Å; A23-L208 HydrophobicContact CB-CD2 3.9Å
24	I	98.8	Very high	98.4	Very high	22 Å²	22	49.8 Å²	49.8	11%	0.113	27%	0.269	C	S	.	.	H	α-helix	trans	-63.2	-44.9	173.5	-67.9	168.7	0	0	0	110.8	G20 F21 V22 F26 V27 L28 V55 T56 F60	G20-I24 PolarHBondContact O-N 3.28Å; G20-I24 VanDerWaalsContact O-N 3.11Å; F21-I24 PolarHBondContact O-N 3.14Å; V22-I24 VanDerWaalsContact C-N 3.32Å; V22-I24 PolarHBondContact O-N 2.96Å; I24-F26 VanDerWaalsContact C-N 3.27Å; I24-F26 PolarHBondContact O-N 3.5Å; I24-V27 VanDerWaalsContact O-CG1 3.29Å; I24-V27 WeakPolarHBondContact O-CG1 3.48Å; I24-V27 PolarHBondContact O-N 3.49Å; I24-L28 HydrophobicContact CG2-CD1 3.91Å; I24-L28 HydrophobicContact CG2-CG 4.46Å; I24-L28 WeakPolarHBondContact O-CB 3.38Å; I24-L28 WeakPolarHBondContact O-CG 3.29Å; I24-L28 PolarHBondContact O-N 3.3Å; I24-V55 HydrophobicContact CG1-CG1 4.39Å; I24-T56 HydrophobicContact CD1-CG2 4.2Å; I24-F60 HydrophobicContact CD1-CB 3.93Å; I24-F60 HydrophobicContact CD1-CD1 3.59Å; I24-F60 HydrophobicContact CD1-CD2 4.28Å; I24-F60 HydrophobicContact CD1-CE1 4.12Å; I24-F60 HydrophobicContact CD1-CG 3.67Å; I24-F60 HydrophobicContact CG1-CB 4.47Å
25	I	98.7	Very high	98.3	Very high	82 Å²	82	47.4 Å²	47.4	42%	0.421	25%	0.248	S	C	.	.	H	α-helix	trans	-60.5	-40.9	175.5	-66.7	169.1	0	0	0	110.7	F21 V22 L28 R29	F21-I25 HydrophobicContact CD1-CD1 3.75Å; F21-I25 HydrophobicContact CD1-CG1 4.46Å; F21-I25 HydrophobicContact CE1-CD1 3.58Å; F21-I25 HydrophobicContact CE1-CG1 4.3Å; F21-I25 HydrophobicContact CZ-CD1 4.43Å; F21-I25 WeakPolarHBondContact O-CG1 3.43Å; F21-I25 PolarHBondContact O-N 3.16Å; V22-I25 PolarHBondContact O-N 3.46Å; I25-L28 PolarHBondContact O-N 3.25Å; I25-R29 VanDerWaalsContact O-CB 3.28Å; I25-R29 WeakPolarHBondContact O-CB 3.28Å; I25-R29 PolarHBondContact O-N 2.97Å
26	F	98.7	Very high	98.2	Very high	43 Å²	43	51.2 Å²	51.2	19%	0.189	26%	0.262	C	S	.	.	H	α-helix	trans	-65.1	-47.2	179.2	-92.5	-121.1	0	0	0	111.8	V22 A23 I24 L28 R29 W30 F200 V203 L204 L207	V22-F26 HydrophobicContact CG1-CD2 3.66Å; V22-F26 HydrophobicContact CG1-CE2 3.56Å; V22-F26 VanDerWaalsContact O-CD2 3.24Å; V22-F26 WeakPolarHBondContact O-CD2 3.41Å; V22-F26 PolarHBondContact O-N 3.46Å; A23-F26 PolarHBondContact O-N 2.83Å; I24-F26 VanDerWaalsContact C-N 3.27Å; I24-F26 PolarHBondContact O-N 3.5Å; F26-L28 VanDerWaalsContact C-N 3.32Å; F26-L28 PolarHBondContact O-N 3.35Å; F26-R29 PolarHBondContact O-N 2.98Å; F26-W30 WeakPolarHBondContact O-CB 3.35Å; F26-W30 PolarHBondContact O-N 3.29Å; F26-F200 HydrophobicContact CB-CE1 4.31Å; F26-F200 HydrophobicContact CB-CZ 4.14Å; F26-F200 HydrophobicContact CD1-CD1 4.35Å; F26-F200 HydrophobicContact CD1-CD2 4.11Å; F26-F200 AromaticContact CD1-CE1 3.9Å; F26-F200 HydrophobicContact CD1-CE1 3.9Å; F26-F200 AromaticContact CD1-CE2 3.63Å; F26-F200 HydrophobicContact CD1-CE2 3.63Å; F26-F200 HydrophobicContact CD1-CG 4.45Å; F26-F200 AromaticContact CD1-CZ 3.5Å; F26-F200 HydrophobicContact CD1-CZ 3.5Å; F26-F200 VanDerWaalsContact CD1-CZ 3.5Å; F26-F200 HydrophobicContact CD2-CE2 4.44Å; F26-F200 HydrophobicContact CD2-CZ 4.19Å; F26-F200 AromaticContact CE1-CD2 3.82Å; F26-F200 HydrophobicContact CE1-CD2 3.82Å; F26-F200 AromaticContact CE1-CE2 3.48Å; F26-F200 HydrophobicContact CE1-CE2 3.48Å; F26-F200 VanDerWaalsContact CE1-CE2 3.48Å; F26-F200 HydrophobicContact CE1-CG 4.47Å; F26-F200 AromaticContact CE1-CZ 3.88Å; F26-F200 HydrophobicContact CE1-CZ 3.88Å; F26-F200 HydrophobicContact CE2-CE2 4.33Å; F26-F200 HydrophobicContact CG-CE1 4.22Å; F26-F200 HydrophobicContact CG-CE2 4.13Å; F26-F200 AromaticContact CG-CZ 3.68Å; F26-F200 HydrophobicContact CG-CZ 3.68Å; F26-F200 HydrophobicContact CZ-CD2 4.47Å; F26-F200 AromaticContact CZ-CE2 3.87Å; F26-F200 HydrophobicContact CZ-CE2 3.87Å; F26-F200 HydrophobicContact CZ-CZ 4.39Å; F26-F200 WeakPolarHBondContact O-CE1 3.36Å; F26-V203 HydrophobicContact CD1-CG1 4.44Å; F26-V203 HydrophobicContact CE1-CB 4.1Å; F26-V203 HydrophobicContact CE1-CG1 3.63Å; F26-V203 HydrophobicContact CZ-CG1 4.18Å; F26-L204 HydrophobicContact CB-CB 4.16Å; F26-L204 HydrophobicContact CB-CD1 3.86Å; F26-L204 HydrophobicContact CB-CG 4.44Å; F26-L204 HydrophobicContact CD1-CB 4.22Å; F26-L207 HydrophobicContact CD1-CD1 4.05Å; F26-L207 HydrophobicContact CD2-CD1 4.14Å; F26-L207 HydrophobicContact CE1-CD1 4.19Å; F26-L207 HydrophobicContact CE2-CD1 4.27Å; F26-L207 HydrophobicContact CG-CD1 4.02Å; F26-L207 HydrophobicContact CZ-CD1 4.29Å
27	V	98.8	Very high	98.2	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-65.5	-37.4	178.5	73.6	0	0	0	0	111.6	A23 I24 W30 V31 P51 V52 V55 L204	A23-V27 PolarHBondContact O-N 2.86Å; I24-V27 VanDerWaalsContact O-CG1 3.29Å; I24-V27 WeakPolarHBondContact O-CG1 3.48Å; I24-V27 PolarHBondContact O-N 3.49Å; V27-W30 HydrophobicContact CG2-CE3 4.18Å; V27-W30 WeakPolarHBondContact O-CB 3.49Å; V27-W30 PolarHBondContact O-N 3.31Å; V27-V31 PolarHBondContact O-N 3.28Å; V27-V31 VanDerWaalsContact O-N 3.1Å; V27-P51 HydrophobicContact CG2-CB 3.94Å; V27-V52 HydrophobicContact CG1-CG2 4.44Å; V27-V52 HydrophobicContact CG2-CG2 4.18Å; V27-V55 HydrophobicContact CB-CB 4.4Å; V27-V55 HydrophobicContact CB-CG1 4.41Å; V27-V55 HydrophobicContact CB-CG2 4.32Å; V27-V55 HydrophobicContact CG1-CB 4.01Å; V27-V55 HydrophobicContact CG1-CG1 3.93Å; V27-V55 HydrophobicContact CG1-CG2 4.47Å; V27-V55 HydrophobicContact CG2-CB 4.5Å; V27-V55 HydrophobicContact CG2-CG2 4.17Å; V27-L204 HydrophobicContact CB-CD2 3.89Å; V27-L204 HydrophobicContact CG2-CD2 4.19Å
28	L	98.8	Very high	98.2	Very high	59 Å²	59	52.5 Å²	52.5	31%	0.309	26%	0.263	S	S	.	.	H	α-helix	trans	-65.3	-46.4	174.7	-74.2	171.6	0	0	0	111.7	I24 I25 F26 W30 V31 L32 V52	I24-L28 HydrophobicContact CG2-CD1 3.91Å; I24-L28 HydrophobicContact CG2-CG 4.46Å; I24-L28 WeakPolarHBondContact O-CB 3.38Å; I24-L28 WeakPolarHBondContact O-CG 3.29Å; I24-L28 PolarHBondContact O-N 3.3Å; I25-L28 PolarHBondContact O-N 3.25Å; F26-L28 VanDerWaalsContact C-N 3.32Å; F26-L28 PolarHBondContact O-N 3.35Å; L28-W30 VanDerWaalsContact C-N 3.29Å; L28-W30 PolarHBondContact O-N 2.89Å; L28-V31 WeakPolarHBondContact O-CG2 3.44Å; L28-V31 PolarHBondContact O-N 3.4Å; L28-L32 VanDerWaalsContact O-CB 3.28Å; L28-L32 WeakPolarHBondContact O-CB 3.49Å; L28-L32 VanDerWaalsContact O-CG 3.23Å; L28-L32 WeakPolarHBondContact O-CG 3.35Å; L28-L32 PolarHBondContact O-N 3.44Å; L28-V52 HydrophobicContact CD2-CG1 3.81Å; L28-V52 HydrophobicContact CD2-CG2 4.21Å
29	R	98.6	Very high	98.2	Very high	136 Å²	136	54.2 Å²	54.2	51%	0.513	26%	0.264	S	S	.	.	H	α-helix	trans	-64.4	-36.8	176.5	-178.5	167.1	-176.5	152.5	1.9	111.5	I25 F26 H33 F200	I25-R29 VanDerWaalsContact O-CB 3.28Å; I25-R29 WeakPolarHBondContact O-CB 3.28Å; I25-R29 PolarHBondContact O-N 2.97Å; F26-R29 PolarHBondContact O-N 2.98Å; R29-H33 HydrophobicContact CG-CB 4.12Å; R29-H33 WeakPolarHBondContact O-CB 3.14Å; R29-H33 PolarHBondContact O-N 3.47Å; R29-F200 HydrophobicContact CB-CE1 4.21Å; R29-F200 HydrophobicContact CB-CZ 3.94Å; R29-F200 HydrophobicContact CG-CE1 4.27Å; R29-F200 HydrophobicContact CG-CZ 3.93Å
30	W	98.6	Very high	98.1	Very high	5 Å²	5	58.7 Å²	58.7	2%	0.019	28%	0.278	C	S	.	.	I	π-helix	trans	-56	-53.7	174.4	176.1	30.4	0	0	0	110.3	F26 V27 L28 F34 K35 P51 I178 K181 L182 E197 F200 V201 L204	F26-W30 WeakPolarHBondContact O-CB 3.35Å; F26-W30 PolarHBondContact O-N 3.29Å; V27-W30 HydrophobicContact CG2-CE3 4.18Å; V27-W30 WeakPolarHBondContact O-CB 3.49Å; V27-W30 PolarHBondContact O-N 3.31Å; L28-W30 VanDerWaalsContact C-N 3.29Å; L28-W30 PolarHBondContact O-N 2.89Å; W30-F34 WeakPolarHBondContact O-CB 3.13Å; W30-F34 PolarHBondContact O-N 3.26Å; W30-K35 PolarHBondContact O-N 3.5Å; W30-P51 HydrophobicContact CE3-CB 4.5Å; W30-P51 HydrophobicContact CZ3-CB 3.88Å; W30-P51 HydrophobicContact CZ3-CG 4.24Å; W30-I178 HydrophobicContact CZ3-CG1 4.31Å; W30-K181 HydrophobicContact CH2-CB 4.15Å; W30-K181 HydrophobicContact CH2-CG 3.92Å; W30-K181 HydrophobicContact CZ2-CB 4.31Å; W30-K181 HydrophobicContact CZ2-CG 3.77Å; W30-L182 HydrophobicContact CZ2-CD2 4.41Å; W30-E197 PolarHBondContact NE1-OE1 3.45Å; W30-F200 HydrophobicContact CB-CE1 4.28Å; W30-V201 HydrophobicContact CB-CG2 4.23Å; W30-V201 HydrophobicContact CD2-CG1 4.15Å; W30-V201 HydrophobicContact CD2-CG2 3.62Å; W30-V201 HydrophobicContact CE3-CG1 4.2Å; W30-V201 HydrophobicContact CE3-CG2 4.38Å; W30-V201 HydrophobicContact CG-CG2 3.5Å; W30-V201 HydrophobicContact CH2-CG1 4.1Å; W30-V201 HydrophobicContact CZ2-CG1 4.04Å; W30-V201 HydrophobicContact CZ2-CG2 4.31Å; W30-V201 HydrophobicContact CZ3-CG1 4.18Å; W30-L204 HydrophobicContact CE3-CD2 4.12Å
31	V	98.3	Very high	98	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	30%	0.302	C	S	.	.	I	π-helix	trans	-73.8	-33.7	-175.8	-58.2	0	0	0	0	113.8	V27 L28 K35 G37 L38 N48 P51 V52	V27-V31 PolarHBondContact O-N 3.28Å; V27-V31 VanDerWaalsContact O-N 3.1Å; L28-V31 WeakPolarHBondContact O-CG2 3.44Å; L28-V31 PolarHBondContact O-N 3.4Å; V31-K35 CarbonylContact O-C 3.58Å; V31-K35 VanDerWaalsContact O-C 3.27Å; V31-K35 WeakPolarHBondContact O-CB 3.3Å; V31-G37 WeakPolarHBondContact O-CA 3.41Å; V31-G37 PolarHBondContact O-N 2.98Å; V31-L38 HydrophobicContact CG2-CD1 4.37Å; V31-L38 HydrophobicContact CG2-CD2 4.05Å; V31-L38 HydrophobicContact CG2-CG 4.12Å; V31-N48 HydrophobicContact CB-CB 3.94Å; V31-N48 HydrophobicContact CG1-CB 3.82Å; V31-P51 HydrophobicContact CG1-CG 4.23Å; V31-V52 HydrophobicContact CB-CG2 4.48Å; V31-V52 HydrophobicContact CG1-CG2 4.02Å; V31-V52 HydrophobicContact CG2-CG2 3.67Å
32	L	98.3	Very high	97.8	Very high	107 Å²	107	57.8 Å²	57.8	56%	0.56	28%	0.281	S	S	*	.	I	π-helix	trans	-85	-28.9	-176.1	-66	174.8	0	0	0	114	L28 L38	L28-L32 VanDerWaalsContact O-CB 3.28Å; L28-L32 WeakPolarHBondContact O-CB 3.49Å; L28-L32 VanDerWaalsContact O-CG 3.23Å; L28-L32 WeakPolarHBondContact O-CG 3.35Å; L28-L32 PolarHBondContact O-N 3.44Å; L32-L38 HydrophobicContact CD2-CD1 4.43Å; L32-L38 HydrophobicContact CD2-CG 4.39Å
33	H	97.8	Very high	97.7	Very high	121 Å²	121	56.1 Å²	56.1	56%	0.56	28%	0.275	S	S	*	.	I	π-helix	trans	-104.7	-38.5	-175.9	-175.6	61	0	0	0	113	R29	R29-H33 HydrophobicContact CG-CB 4.12Å; R29-H33 WeakPolarHBondContact O-CB 3.14Å; R29-H33 PolarHBondContact O-N 3.47Å
34	F	96.8	Very high	97.6	Very high	58 Å²	58	59.4 Å²	59.4	25%	0.254	29%	0.292	S	S	.	.	I	π-helix	trans	-102.3	-16	-176.3	-63.7	-85.2	0	0	0	113.3	W30 P196 E197 F200	W30-F34 WeakPolarHBondContact O-CB 3.13Å; W30-F34 PolarHBondContact O-N 3.26Å; F34-P196 HydrophobicContact CE1-CB 4.41Å; F34-E197 HydrophobicContact CB-CB 4.38Å; F34-E197 HydrophobicContact CB-CG 3.71Å; F34-E197 HydrophobicContact CD1-CB 3.56Å; F34-E197 HydrophobicContact CD1-CG 3.81Å; F34-E197 HydrophobicContact CD2-CG 4.47Å; F34-E197 HydrophobicContact CE1-CB 3.93Å; F34-E197 HydrophobicContact CE1-CG 4.49Å; F34-E197 HydrophobicContact CG-CB 4.07Å; F34-E197 HydrophobicContact CG-CG 3.77Å; F34-F200 HydrophobicContact CD2-CD1 4.3Å; F34-F200 HydrophobicContact CE2-CB 4.31Å; F34-F200 AromaticContact CE2-CD1 3.75Å; F34-F200 HydrophobicContact CE2-CD1 3.75Å; F34-F200 HydrophobicContact CE2-CE1 4.19Å; F34-F200 AromaticContact CE2-CG 3.95Å; F34-F200 HydrophobicContact CE2-CG 3.95Å; F34-F200 HydrophobicContact CZ-CB 4.34Å; F34-F200 HydrophobicContact CZ-CG 4.37Å
35	K	96.3	Very high	97.5	Very high	28 Å²	28	58.9 Å²	58.9	12%	0.122	29%	0.291	C	S	.	.	S	Bend	trans	-119.4	-174.7	178.1	-58.5	-62.7	-179.8	-144.4	0	111.3	W30 V31 G37 N48 E197	W30-K35 PolarHBondContact O-N 3.5Å; V31-K35 CarbonylContact O-C 3.58Å; V31-K35 VanDerWaalsContact O-C 3.27Å; V31-K35 WeakPolarHBondContact O-CB 3.3Å; K35-G37 PolarHBondContact O-N 2.79Å; K35-G37 VanDerWaalsContact O-N 3.08Å; K35-N48 WeakPolarHBondContact CB-ND2 3.3Å; K35-E197 WeakPolarHBondContact CE-OE1 3.33Å; K35-E197 IonicContact NZ-OE1 2.65Å; K35-E197 PolarHBondContact NZ-OE1 2.8Å; K35-E197 IonicContact NZ-OE2 3Å; K35-E197 PolarHBondContact NZ-OE2 2.76Å
36	E	96.2	Very high	97.5	Very high	106 Å²	106	55.2 Å²	55.2	50%	0.495	27%	0.272	S	S	.	.			trans	-73	6.1	-172	-55.6	76.1	-165.6	0	0	113.7	L44 A45 N48	E36-L44 HydrophobicContact CB-CB 4.44Å; E36-L44 HydrophobicContact CG-CB 4.01Å; E36-L44 HydrophobicContact CG-CD1 4.31Å; E36-A45 HydrophobicContact CB-CB 4.41Å; E36-N48 PolarHBondContact OE2-ND2 3.38Å
37	G	97.6	Very high	97.5	Very high	12 Å²	12	54.4 Å²	54.4	12%	0.124	27%	0.269	C	S	.	.			trans	83.3	-151.4	-175.3	0	0	0	0	0	112.7	V31 K35 N48	V31-G37 WeakPolarHBondContact O-CA 3.41Å; V31-G37 PolarHBondContact O-N 2.98Å; K35-G37 PolarHBondContact O-N 2.79Å; K35-G37 VanDerWaalsContact O-N 3.08Å; G37-N48 VanDerWaalsContact O-CB 3.28Å; G37-N48 WeakPolarHBondContact O-CB 3.36Å; G37-N48 PolarHBondContact O-ND2 3.4Å
38	L	98.4	Very high	97.5	Very high	52 Å²	52	54.6 Å²	54.6	27%	0.272	27%	0.27	S	S	.	.			trans	-130.7	126.4	-177.2	-66.2	173.6	0	0	0	109.4	V31 L32 N48 W49 V52	V31-L38 HydrophobicContact CG2-CD1 4.37Å; V31-L38 HydrophobicContact CG2-CD2 4.05Å; V31-L38 HydrophobicContact CG2-CG 4.12Å; L32-L38 HydrophobicContact CD2-CD1 4.43Å; L32-L38 HydrophobicContact CD2-CG 4.39Å; L38-N48 HydrophobicContact CD2-CB 3.84Å; L38-W49 HydrophobicContact CB-CZ2 4.01Å; L38-W49 HydrophobicContact CD1-CE3 4.44Å; L38-W49 HydrophobicContact CD1-CH2 4.02Å; L38-W49 HydrophobicContact CD1-CZ2 4.13Å; L38-W49 HydrophobicContact CD1-CZ3 4.18Å; L38-W49 HydrophobicContact CD2-CD2 3.95Å; L38-W49 HydrophobicContact CD2-CE3 4.34Å; L38-W49 HydrophobicContact CD2-CG 4.11Å; L38-W49 HydrophobicContact CG-CZ2 4.5Å; L38-V52 HydrophobicContact CD2-CG2 4.37Å
39	D	97.9	Very high	97.5	Very high	94 Å²	94	55.5 Å²	55.5	50%	0.503	27%	0.269	S	S	.	.			trans	-149.4	178.1	173.7	-154.9	-9.7	0	0	0	109.2	D41 A45 E46 W49	D39-D41 HydrophobicContact CB-CB 4.46Å; D39-A45 HydrophobicContact CB-CB 3.72Å; D39-A45 PolarHBondContact N-O 3.24Å; D39-E46 WeakPolarHBondContact O-CA 3.35Å; D39-W49 PolarHBondContact O-NE1 3.04Å
40	W	97.9	Very high	97.5	Very high	122 Å²	122	50.2 Å²	50.2	46%	0.462	25%	0.25	S	C	.	.	S	Bend	trans	-127	64.7	173.3	-156.5	-78.9	0	0	0	109.9	E46 W49 I99 V102 A103	W40-E46 WeakPolarHBondContact CA-OE2 3.4Å; W40-E46 HydrophobicContact CD2-CG 4.17Å; W40-E46 HydrophobicContact CE3-CG 4.22Å; W40-E46 HydrophobicContact CG-CG 4.47Å; W40-W49 AromaticContact CE3-CD1 3.81Å; W40-W49 HydrophobicContact CE3-CG 4.44Å; W40-W49 HydrophobicContact CZ3-CG 4.26Å; W40-I99 HydrophobicContact CH2-CG2 3.67Å; W40-I99 HydrophobicContact CZ3-CG2 3.82Å; W40-V102 HydrophobicContact CH2-CG1 4.46Å; W40-V102 HydrophobicContact CZ2-CG1 3.92Å; W40-A103 HydrophobicContact CH2-CB 3.95Å; W40-A103 HydrophobicContact CZ3-CB 4.11Å
41	D	95.8	Very high	97.5	Very high	97 Å²	97	50.8 Å²	50.8	52%	0.519	25%	0.254	S	S	.	.	S	Bend	trans	-118.5	3.6	-167.3	71.7	-24.6	0	0	0	115	D39 G43 E46	D39-D41 HydrophobicContact CB-CB 4.46Å; D41-G43 PolarHBondContact O-N 3.25Å; D41-G43 WeakPolarHBondContact OD1-CA 3.37Å; D41-G43 PolarHBondContact OD1-N 2.63Å; D41-E46 PolarHBondContact N-OE2 3.29Å
42	G	94.3	Very high	97.5	Very high	12 Å²	12	51 Å²	51	12%	0.124	26%	0.256	C	S	.	.	S	Bend	trans	72.1	7.6	-170.8	0	0	0	0	0	114.1	E46 F107 S110	G42-E46 WeakPolarHBondContact CA-OE2 3.34Å; G42-E46 PolarHBondContact N-OE2 3.27Å; G42-F107 WeakPolarHBondContact O-CA 3.33Å; G42-S110 WeakPolarHBondContact O-CB 3.33Å
43	G	96.3	Very high	97.5	Very high	20 Å²	20	46.7 Å²	46.7	21%	0.206	23%	0.233	C	C	.	.	S	Bend	trans	-99.9	-166.5	-176.9	0	0	0	0	0	114.2	D41 A45 E46 F47 F107	D41-G43 PolarHBondContact O-N 3.25Å; D41-G43 WeakPolarHBondContact OD1-CA 3.37Å; D41-G43 PolarHBondContact OD1-N 2.63Å; G43-A45 VanDerWaalsContact C-N 3.27Å; G43-A45 PolarHBondContact O-N 2.78Å; G43-E46 PolarHBondContact O-N 2.88Å; G43-F47 PolarHBondContact O-N 2.92Å; G43-F47 VanDerWaalsContact O-N 3.12Å; G43-F107 VanDerWaalsContact C-CD2 3.43Å; G43-F107 WeakPolarHBondContact O-CD2 3.41Å
44	L	96.5	Very high	97.6	Very high	72 Å²	72	42 Å²	42	38%	0.377	21%	0.213	S	C	.	.	H	α-helix	trans	-64.8	-32.3	177.7	-74.5	167.8	0	0	0	112.3	E36 E46 F47 N48 F107	E36-L44 HydrophobicContact CB-CB 4.44Å; E36-L44 HydrophobicContact CG-CB 4.01Å; E36-L44 HydrophobicContact CG-CD1 4.31Å; L44-E46 VanDerWaalsContact C-N 3.32Å; L44-F47 WeakPolarHBondContact O-CB 3.49Å; L44-F47 PolarHBondContact O-N 3.21Å; L44-N48 PolarHBondContact O-N 2.98Å; L44-N48 VanDerWaalsContact O-N 3.1Å; L44-N48 PolarHBondContact O-ND2 2.88Å; L44-N48 PolarHBondContact O-OD1 3.19Å; L44-F107 HydrophobicContact CD2-CE2 3.86Å; L44-F107 HydrophobicContact CD2-CZ 3.68Å; L44-F107 HydrophobicContact CG-CE2 4.12Å; L44-F107 HydrophobicContact CG-CZ 4.43Å
45	A	97.6	Very high	97.7	Very high	10 Å²	10	39.5 Å²	39.5	8%	0.083	20%	0.202	C	C	.	.	H	α-helix	trans	-66.1	-35.4	175.6	0	0	0	0	0	111.6	E36 D39 G43 N48	E36-A45 HydrophobicContact CB-CB 4.41Å; D39-A45 HydrophobicContact CB-CB 3.72Å; D39-A45 PolarHBondContact N-O 3.24Å; G43-A45 VanDerWaalsContact C-N 3.27Å; G43-A45 PolarHBondContact O-N 2.78Å; A45-N48 PolarHBondContact O-N 3.35Å
46	E	98.4	Very high	97.8	Very high	5 Å²	5	39.4 Å²	39.4	2%	0.023	20%	0.204	C	C	.	.	H	α-helix	trans	-66.8	-45.9	170.6	-170.3	174.2	130.3	0	0	112.4	D39 W40 D41 G42 G43 L44 N48 W49 A103 D106	D39-E46 WeakPolarHBondContact O-CA 3.35Å; W40-E46 WeakPolarHBondContact CA-OE2 3.4Å; W40-E46 HydrophobicContact CD2-CG 4.17Å; W40-E46 HydrophobicContact CE3-CG 4.22Å; W40-E46 HydrophobicContact CG-CG 4.47Å; D41-E46 PolarHBondContact N-OE2 3.29Å; G42-E46 WeakPolarHBondContact CA-OE2 3.34Å; G42-E46 PolarHBondContact N-OE2 3.27Å; G43-E46 PolarHBondContact O-N 2.88Å; L44-E46 VanDerWaalsContact C-N 3.32Å; E46-N48 PolarHBondContact O-N 3.39Å; E46-N48 VanDerWaalsContact O-N 3.1Å; E46-W49 WeakPolarHBondContact O-CB 3.43Å; E46-W49 PolarHBondContact O-N 3.45Å; E46-A103 HydrophobicContact CG-CB 4.1Å; E46-D106 WeakPolarHBondContact OE1-CB 3.5Å
47	F	98.1	Very high	97.9	Very high	27 Å²	27	34.4 Å²	34.4	12%	0.118	18%	0.181	C	C	.	.	H	α-helix	trans	-52.9	-36.3	175	174.8	-85.8	0	0	0	112.3	G43 L44 W49 H50 P51 V104 F107 K181	G43-F47 PolarHBondContact O-N 2.92Å; G43-F47 VanDerWaalsContact O-N 3.12Å; L44-F47 WeakPolarHBondContact O-CB 3.49Å; L44-F47 PolarHBondContact O-N 3.21Å; F47-W49 PolarHBondContact O-N 3.43Å; F47-W49 VanDerWaalsContact O-N 3.14Å; F47-H50 WeakPolarHBondContact O-CB 3.44Å; F47-H50 PolarHBondContact O-N 3.47Å; F47-P51 WeakPolarHBondContact O-CD 3.42Å; F47-V104 HydrophobicContact CD2-CG1 4.46Å; F47-V104 HydrophobicContact CD2-CG2 4.01Å; F47-V104 HydrophobicContact CE2-CG1 4.31Å; F47-V104 HydrophobicContact CE2-CG2 3.97Å; F47-F107 HydrophobicContact CB-CB 4.19Å; F47-F107 HydrophobicContact CB-CD1 3.89Å; F47-F107 HydrophobicContact CB-CD2 4.3Å; F47-F107 HydrophobicContact CB-CE1 4.37Å; F47-F107 HydrophobicContact CB-CG 3.85Å; F47-F107 AromaticContact CD2-CD1 3.62Å; F47-F107 HydrophobicContact CD2-CD1 3.62Å; F47-F107 HydrophobicContact CD2-CE1 4.01Å; F47-F107 HydrophobicContact CD2-CG 4.37Å; F47-F107 HydrophobicContact CG-CD1 4.09Å; F47-F107 HydrophobicContact CG-CE1 4.37Å; F47-K181 HydrophobicContact CD1-CD 4.39Å; F47-K181 VanDerWaalsContact CD1-NZ 3.3Å; F47-K181 HydrophobicContact CE1-CD 3.55Å; F47-K181 VanDerWaalsContact CE1-CE 3.46Å; F47-K181 HydrophobicContact CE1-CG 4.24Å; F47-K181 VanDerWaalsContact CE1-NZ 3.35Å; F47-K181 HydrophobicContact CZ-CD 4.03Å
48	N	98.5	Very high	97.9	Very high	3 Å²	3	34.1 Å²	34.1	2%	0.016	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-16.4	-177.8	-69.9	-25.6	0	0	0	113.7	V31 K35 E36 G37 L38 L44 A45 E46 H50 P51 V52	V31-N48 HydrophobicContact CB-CB 3.94Å; V31-N48 HydrophobicContact CG1-CB 3.82Å; K35-N48 WeakPolarHBondContact CB-ND2 3.3Å; E36-N48 PolarHBondContact OE2-ND2 3.38Å; G37-N48 VanDerWaalsContact O-CB 3.28Å; G37-N48 WeakPolarHBondContact O-CB 3.36Å; G37-N48 PolarHBondContact O-ND2 3.4Å; L38-N48 HydrophobicContact CD2-CB 3.84Å; L44-N48 PolarHBondContact O-N 2.98Å; L44-N48 VanDerWaalsContact O-N 3.1Å; L44-N48 PolarHBondContact O-ND2 2.88Å; L44-N48 PolarHBondContact O-OD1 3.19Å; A45-N48 PolarHBondContact O-N 3.35Å; E46-N48 PolarHBondContact O-N 3.39Å; E46-N48 VanDerWaalsContact O-N 3.1Å; N48-H50 PolarHBondContact O-N 3.35Å; N48-P51 WeakPolarHBondContact O-CD 3.2Å; N48-P51 WeakPolarHBondContact O-CG 3.28Å; N48-V52 WeakPolarHBondContact O-CG2 3.38Å
49	W	98.8	Very high	97.9	Very high	79 Å²	79	31.8 Å²	31.8	30%	0.299	16%	0.164	S	C	.	.	H	α-helix	trans	-62.5	-30.5	167.2	-78.8	109.9	0	0	0	112.7	L38 D39 W40 E46 F47 V52 L53 A103	L38-W49 HydrophobicContact CB-CZ2 4.01Å; L38-W49 HydrophobicContact CD1-CE3 4.44Å; L38-W49 HydrophobicContact CD1-CH2 4.02Å; L38-W49 HydrophobicContact CD1-CZ2 4.13Å; L38-W49 HydrophobicContact CD1-CZ3 4.18Å; L38-W49 HydrophobicContact CD2-CD2 3.95Å; L38-W49 HydrophobicContact CD2-CE3 4.34Å; L38-W49 HydrophobicContact CD2-CG 4.11Å; L38-W49 HydrophobicContact CG-CZ2 4.5Å; D39-W49 PolarHBondContact O-NE1 3.04Å; W40-W49 AromaticContact CE3-CD1 3.81Å; W40-W49 HydrophobicContact CE3-CG 4.44Å; W40-W49 HydrophobicContact CZ3-CG 4.26Å; E46-W49 WeakPolarHBondContact O-CB 3.43Å; E46-W49 PolarHBondContact O-N 3.45Å; F47-W49 PolarHBondContact O-N 3.43Å; F47-W49 VanDerWaalsContact O-N 3.14Å; W49-V52 PolarHBondContact O-N 2.88Å; W49-L53 HydrophobicContact CB-CD1 4.1Å; W49-L53 HydrophobicContact CE3-CD1 4.17Å; W49-L53 HydrophobicContact CE3-CD2 4.19Å; W49-L53 HydrophobicContact CE3-CG 4Å; W49-L53 HydrophobicContact CZ3-CD2 4.47Å; W49-L53 VanDerWaalsContact O-CB 3.28Å; W49-L53 WeakPolarHBondContact O-CB 3.29Å; W49-L53 VanDerWaalsContact O-CG 3.25Å; W49-L53 WeakPolarHBondContact O-CG 3.27Å; W49-L53 PolarHBondContact O-N 3.29Å; W49-A103 HydrophobicContact CB-CB 4.16Å
50	H	98.6	Very high	98	Very high	24 Å²	24	29.4 Å²	29.4	11%	0.111	15%	0.149	C	C	.	.	H	α-helix	trans	-57	-61.2	-177.6	-176.9	75.3	0	0	0	113.2	F47 N48 V52 L53 V54 A100 V104 H120	F47-H50 WeakPolarHBondContact O-CB 3.44Å; F47-H50 PolarHBondContact O-N 3.47Å; N48-H50 PolarHBondContact O-N 3.35Å; H50-V52 VanDerWaalsContact C-N 3.3Å; H50-V52 PolarHBondContact O-N 2.94Å; H50-L53 PolarHBondContact O-N 2.93Å; H50-V54 WeakPolarHBondContact O-CB 3.33Å; H50-V54 WeakPolarHBondContact O-CG2 3.4Å; H50-V54 PolarHBondContact O-N 3.21Å; H50-A100 PolarHBondContact ND1-O 3.33Å; H50-V104 HydrophobicContact CB-CG2 3.43Å; H50-V104 VanDerWaalsContact CB-CG2 3.43Å; H50-V104 VanDerWaalsContact ND1-CG2 3.28Å; H50-V104 WeakPolarHBondContact ND1-CG2 3.37Å; H50-H120 AromaticContact NE2-NE2 3.86Å
51	P	98.6	Very high	98	Very high	17 Å²	17	25.1 Å²	25.1	11%	0.11	14%	0.135	C	C	.	.	H	α-helix	trans	-62.4	-36.3	178.8	25.3	-35.3	0	0	0	112.6	V27 W30 V31 F47 N48 V55	V27-P51 HydrophobicContact CG2-CB 3.94Å; W30-P51 HydrophobicContact CE3-CB 4.5Å; W30-P51 HydrophobicContact CZ3-CB 3.88Å; W30-P51 HydrophobicContact CZ3-CG 4.24Å; V31-P51 HydrophobicContact CG1-CG 4.23Å; F47-P51 WeakPolarHBondContact O-CD 3.42Å; N48-P51 WeakPolarHBondContact O-CD 3.2Å; N48-P51 WeakPolarHBondContact O-CG 3.28Å; P51-V55 WeakPolarHBondContact O-CB 3.49Å; P51-V55 VanDerWaalsContact O-CG2 3.27Å; P51-V55 WeakPolarHBondContact O-CG2 3.43Å; P51-V55 PolarHBondContact O-N 2.97Å
52	V	98.8	Very high	98.1	Very high	6 Å²	6	20.6 Å²	20.6	4%	0.036	11%	0.111	C	C	.	.	H	α-helix	trans	-62.5	-50	179.6	172.7	0	0	0	0	111.3	V27 L28 V31 L38 N48 W49 H50 T56	V27-V52 HydrophobicContact CG1-CG2 4.44Å; V27-V52 HydrophobicContact CG2-CG2 4.18Å; L28-V52 HydrophobicContact CD2-CG1 3.81Å; L28-V52 HydrophobicContact CD2-CG2 4.21Å; V31-V52 HydrophobicContact CB-CG2 4.48Å; V31-V52 HydrophobicContact CG1-CG2 4.02Å; V31-V52 HydrophobicContact CG2-CG2 3.67Å; L38-V52 HydrophobicContact CD2-CG2 4.37Å; N48-V52 WeakPolarHBondContact O-CG2 3.38Å; W49-V52 PolarHBondContact O-N 2.88Å; H50-V52 VanDerWaalsContact C-N 3.3Å; H50-V52 PolarHBondContact O-N 2.94Å; V52-T56 VanDerWaalsContact O-CB 3.26Å; V52-T56 WeakPolarHBondContact O-CB 3.46Å; V52-T56 PolarHBondContact O-N 3.35Å; V52-T56 PolarHBondContact O-OG1 3.31Å
53	L	98.8	Very high	98.3	Very high	15 Å²	15	20 Å²	20	8%	0.079	11%	0.105	C	C	.	.	H	α-helix	trans	-73.6	-33.9	-177.3	-67.5	175.6	0	0	0	112.1	W49 H50 G57 F96 I99 A100	W49-L53 HydrophobicContact CB-CD1 4.1Å; W49-L53 HydrophobicContact CE3-CD1 4.17Å; W49-L53 HydrophobicContact CE3-CD2 4.19Å; W49-L53 HydrophobicContact CE3-CG 4Å; W49-L53 HydrophobicContact CZ3-CD2 4.47Å; W49-L53 VanDerWaalsContact O-CB 3.28Å; W49-L53 WeakPolarHBondContact O-CB 3.29Å; W49-L53 VanDerWaalsContact O-CG 3.25Å; W49-L53 WeakPolarHBondContact O-CG 3.27Å; W49-L53 PolarHBondContact O-N 3.29Å; H50-L53 PolarHBondContact O-N 2.93Å; L53-G57 WeakPolarHBondContact O-CA 3.42Å; L53-G57 PolarHBondContact O-N 3.47Å; L53-F96 HydrophobicContact CB-CB 4.35Å; L53-F96 HydrophobicContact CD2-CB 4.37Å; L53-F96 HydrophobicContact CD2-CD1 4.46Å; L53-F96 HydrophobicContact CD2-CD2 4.13Å; L53-F96 HydrophobicContact CD2-CG 4.09Å; L53-I99 HydrophobicContact CD1-CB 3.87Å; L53-I99 HydrophobicContact CD1-CG2 3.45Å; L53-I99 VanDerWaalsContact CD1-CG2 3.45Å; L53-A100 HydrophobicContact CB-CB 3.79Å; L53-A100 HydrophobicContact CD1-CB 4.33Å
54	V	98.8	Very high	98.4	Very high	22 Å²	22	21.3 Å²	21.3	13%	0.133	11%	0.109	C	C	.	.	I	π-helix	trans	-64.8	-49	173.3	170.6	0	0	0	0	111	H50 F58 I59 A100 A174	H50-V54 WeakPolarHBondContact O-CB 3.33Å; H50-V54 WeakPolarHBondContact O-CG2 3.4Å; H50-V54 PolarHBondContact O-N 3.21Å; V54-F58 HydrophobicContact CG1-CB 4.43Å; V54-F58 CarbonylContact O-C 3.27Å; V54-F58 WeakPolarHBondContact O-CA 3.3Å; V54-F58 WeakPolarHBondContact O-CB 3.28Å; V54-F58 PolarHBondContact O-N 3.31Å; V54-I59 PolarHBondContact O-N 3.23Å; V54-A100 HydrophobicContact CG2-CB 4Å; V54-A174 HydrophobicContact CG1-CB 4.36Å
55	V	98.9	Very high	98.5	Very high	6 Å²	6	17.9 Å²	17.9	4%	0.036	9%	0.091	C	C	.	.	I	π-helix	trans	-64.1	-43.6	178.7	169.6	0	0	0	0	111.1	A23 I24 V27 P51 I59 F60 L208	A23-V55 HydrophobicContact CB-CG1 4.47Å; I24-V55 HydrophobicContact CG1-CG1 4.39Å; V27-V55 HydrophobicContact CB-CB 4.4Å; V27-V55 HydrophobicContact CB-CG1 4.41Å; V27-V55 HydrophobicContact CB-CG2 4.32Å; V27-V55 HydrophobicContact CG1-CB 4.01Å; V27-V55 HydrophobicContact CG1-CG1 3.93Å; V27-V55 HydrophobicContact CG1-CG2 4.47Å; V27-V55 HydrophobicContact CG2-CB 4.5Å; V27-V55 HydrophobicContact CG2-CG2 4.17Å; P51-V55 WeakPolarHBondContact O-CB 3.49Å; P51-V55 VanDerWaalsContact O-CG2 3.27Å; P51-V55 WeakPolarHBondContact O-CG2 3.43Å; P51-V55 PolarHBondContact O-N 2.97Å; V55-I59 HydrophobicContact CG2-CD1 4.43Å; V55-I59 WeakPolarHBondContact O-CB 3.24Å; V55-F60 PolarHBondContact O-N 3.32Å; V55-L208 HydrophobicContact CG1-CD2 3.98Å; V55-L208 HydrophobicContact CG2-CD1 4.21Å; V55-L208 HydrophobicContact CG2-CD2 4.19Å
56	T	98.8	Very high	98.6	Very high	27 Å²	27	18.8 Å²	18.8	17%	0.166	9%	0.094	C	C	.	.	I	π-helix	trans	-71.9	-48.9	-178.1	-54	0	0	0	0	111.8	I24 V52 F60 L61 F96	I24-T56 HydrophobicContact CD1-CG2 4.2Å; V52-T56 VanDerWaalsContact O-CB 3.26Å; V52-T56 WeakPolarHBondContact O-CB 3.46Å; V52-T56 PolarHBondContact O-N 3.35Å; V52-T56 PolarHBondContact O-OG1 3.31Å; T56-F60 WeakPolarHBondContact O-CB 3.33Å; T56-L61 WeakPolarHBondContact O-CG 3.3Å; T56-L61 PolarHBondContact O-N 3.35Å; T56-F96 HydrophobicContact CG2-CD2 4.29Å; T56-F96 HydrophobicContact CG2-CE2 3.92Å
57	G	98.5	Very high	98.6	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.095	C	C	.	.	I	π-helix	trans	-82.5	-68.8	-175.6	0	0	0	0	0	112.8	L53 I59 L61 Q62 A93	L53-G57 WeakPolarHBondContact O-CA 3.42Å; L53-G57 PolarHBondContact O-N 3.47Å; G57-I59 VanDerWaalsContact C-N 3.31Å; G57-I59 PolarHBondContact O-N 3.5Å; G57-L61 WeakPolarHBondContact O-CB 3.49Å; G57-L61 PolarHBondContact O-N 3.06Å; G57-Q62 PolarHBondContact O-N 2.83Å; G57-A93 VanDerWaalsContact O-CB 3.26Å; G57-A93 WeakPolarHBondContact O-CB 3.35Å
58	F	97.9	Very high	98.5	Very high	7 Å²	7	18 Å²	18	3%	0.031	9%	0.092	C	C	.	.	I	π-helix	trans	-72.6	-19	-171.4	-102.8	24.7	0	0	0	114.3	V54 Q62 A93 F94 A97 V128 Y131 I170	V54-F58 HydrophobicContact CG1-CB 4.43Å; V54-F58 CarbonylContact O-C 3.27Å; V54-F58 WeakPolarHBondContact O-CA 3.3Å; V54-F58 WeakPolarHBondContact O-CB 3.28Å; V54-F58 PolarHBondContact O-N 3.31Å; F58-Q62 WeakPolarHBondContact O-CB 3.33Å; F58-Q62 PolarHBondContact O-OE1 3.32Å; F58-A93 HydrophobicContact CD1-CB 4.4Å; F58-A93 WeakPolarHBondContact CD1-O 3.23Å; F58-F94 HydrophobicContact CE1-CD2 4.34Å; F58-F94 HydrophobicContact CZ-CD2 4.33Å; F58-A97 HydrophobicContact CD1-CB 3.47Å; F58-A97 VanDerWaalsContact CD1-CB 3.47Å; F58-A97 HydrophobicContact CD2-CB 3.84Å; F58-A97 HydrophobicContact CE1-CB 3.2Å; F58-A97 HydrophobicContact CE2-CB 3.56Å; F58-A97 HydrophobicContact CG-CB 3.81Å; F58-A97 HydrophobicContact CZ-CB 3.23Å; F58-V128 HydrophobicContact CE2-CG2 3.78Å; F58-V128 HydrophobicContact CZ-CG2 4.18Å; F58-Y131 AromaticContact CE1-CD1 3.86Å; F58-Y131 HydrophobicContact CE1-CD1 3.86Å; F58-Y131 HydrophobicContact CE1-CD2 4.29Å; F58-Y131 AromaticContact CE1-CE1 3.96Å; F58-Y131 HydrophobicContact CE1-CE1 3.96Å; F58-Y131 HydrophobicContact CE1-CE2 4.4Å; F58-Y131 AromaticContact CE1-CG 4Å; F58-Y131 HydrophobicContact CE1-CG 4Å; F58-Y131 HydrophobicContact CZ-CD1 4.06Å; F58-Y131 HydrophobicContact CZ-CD2 4.39Å; F58-Y131 AromaticContact CZ-CG 3.91Å; F58-Y131 HydrophobicContact CZ-CG 3.91Å; F58-I170 HydrophobicContact CB-CG2 3.82Å; F58-I170 HydrophobicContact CD2-CD1 3.73Å; F58-I170 HydrophobicContact CD2-CG1 4.08Å; F58-I170 HydrophobicContact CD2-CG2 4.12Å; F58-I170 HydrophobicContact CE2-CD1 4.01Å; F58-I170 HydrophobicContact CE2-CG1 4.48Å; F58-I170 HydrophobicContact CG-CD1 4.16Å; F58-I170 HydrophobicContact CG-CG2 4.35Å
59	I	98.7	Very high	98.4	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.01	10%	0.102	C	C	.	.	I	π-helix	trans	-102.7	-65.4	172.4	-58.6	177.3	0	0	0	110.1	V54 V55 G57 G63 F167 I170 I171 A174 L208 F211	V54-I59 PolarHBondContact O-N 3.23Å; V55-I59 HydrophobicContact CG2-CD1 4.43Å; V55-I59 WeakPolarHBondContact O-CB 3.24Å; G57-I59 VanDerWaalsContact C-N 3.31Å; G57-I59 PolarHBondContact O-N 3.5Å; I59-G63 WeakPolarHBondContact O-CA 3.46Å; I59-G63 PolarHBondContact O-N 3.39Å; I59-F167 HydrophobicContact CG2-CE2 4.49Å; I59-I170 HydrophobicContact CG1-CG2 4.09Å; I59-I171 HydrophobicContact CD1-CG1 4.35Å; I59-I171 HydrophobicContact CG1-CG1 4.3Å; I59-I171 HydrophobicContact CG2-CG1 4.35Å; I59-A174 HydrophobicContact CD1-CB 3.8Å; I59-L208 HydrophobicContact CD1-CD1 3.83Å; I59-L208 HydrophobicContact CD1-CD2 3.94Å; I59-L208 HydrophobicContact CD1-CG 4.31Å; I59-L208 HydrophobicContact CG2-CD2 4.23Å; I59-F211 HydrophobicContact CG2-CD1 3.55Å; I59-F211 HydrophobicContact CG2-CE1 3.7Å; I59-F211 WeakPolarHBondContact O-CE1 3.37Å
60	F	98.8	Very high	98.2	Very high	44 Å²	44	18.6 Å²	18.6	19%	0.193	9%	0.094	C	C	.	.	I	π-helix	trans	-70.5	-53	-170.5	-179.8	-102.9	0	0	0	113.9	I24 V55 T56 G63 T64 F211	I24-F60 HydrophobicContact CD1-CB 3.93Å; I24-F60 HydrophobicContact CD1-CD1 3.59Å; I24-F60 HydrophobicContact CD1-CD2 4.28Å; I24-F60 HydrophobicContact CD1-CE1 4.12Å; I24-F60 HydrophobicContact CD1-CG 3.67Å; I24-F60 HydrophobicContact CG1-CB 4.47Å; V55-F60 PolarHBondContact O-N 3.32Å; T56-F60 WeakPolarHBondContact O-CB 3.33Å; F60-G63 PolarHBondContact O-N 2.89Å; F60-T64 WeakPolarHBondContact O-CB 3.41Å; F60-T64 PolarHBondContact O-N 2.87Å; F60-T64 PolarHBondContact O-OG1 3.48Å; F60-F211 AromaticContact CD2-CE2 3.99Å; F60-F211 HydrophobicContact CD2-CE2 3.99Å; F60-F211 HydrophobicContact CD2-CZ 4.03Å; F60-F211 HydrophobicContact CE2-CE2 4.45Å
61	L	98.7	Very high	98	Very high	32 Å²	32	18.8 Å²	18.8	17%	0.168	10%	0.096	C	C	.	.	I	π-helix	trans	-66.4	-44.1	-179.9	-68.6	179.3	0	0	0	111.8	T56 G57 T64 A65 L89 T92 A93 F96	T56-L61 WeakPolarHBondContact O-CG 3.3Å; T56-L61 PolarHBondContact O-N 3.35Å; G57-L61 WeakPolarHBondContact O-CB 3.49Å; G57-L61 PolarHBondContact O-N 3.06Å; L61-T64 WeakPolarHBondContact O-CB 3.29Å; L61-T64 PolarHBondContact O-N 3.43Å; L61-A65 WeakPolarHBondContact O-CB 3.42Å; L61-A65 PolarHBondContact O-N 3.26Å; L61-L89 HydrophobicContact CD2-CD2 4.41Å; L61-T92 HydrophobicContact CD1-CG2 3.78Å; L61-A93 HydrophobicContact CB-CB 4.13Å; L61-F96 HydrophobicContact CD1-CD2 4.27Å; L61-F96 HydrophobicContact CD1-CE2 4.06Å
62	Q	98.6	Very high	97.6	Very high	2 Å²	2	19 Å²	19	1%	0.009	10%	0.097	C	C	.	.	H	α-helix	trans	-59.1	-47.3	174	179.7	-178.2	-5.4	0	0	111.6	G57 F58 T64 A65 I66 A93 Y131 F167	G57-Q62 PolarHBondContact O-N 2.83Å; F58-Q62 WeakPolarHBondContact O-CB 3.33Å; F58-Q62 PolarHBondContact O-OE1 3.32Å; Q62-T64 VanDerWaalsContact C-N 3.28Å; Q62-T64 PolarHBondContact O-N 2.87Å; Q62-A65 WeakPolarHBondContact O-CB 3.27Å; Q62-A65 PolarHBondContact O-N 3.37Å; Q62-A65 VanDerWaalsContact O-N 3.08Å; Q62-I66 HydrophobicContact CG-CD1 4.02Å; Q62-I66 WeakPolarHBondContact O-CG1 3.27Å; Q62-I66 PolarHBondContact O-N 3.49Å; Q62-A93 HydrophobicContact CB-CB 4.47Å; Q62-Y131 HydrophobicContact CG-CE2 3.83Å; Q62-F167 HydrophobicContact CG-CD2 4.18Å
63	G	98.6	Very high	97.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-58	-42.5	178.1	0	0	0	0	0	112	I59 F60 I66 I67	I59-G63 WeakPolarHBondContact O-CA 3.46Å; I59-G63 PolarHBondContact O-N 3.39Å; F60-G63 PolarHBondContact O-N 2.89Å; G63-I66 PolarHBondContact O-N 3.47Å; G63-I67 PolarHBondContact O-N 3.49Å
64	T	98.5	Very high	96.9	Very high	48 Å²	48	25.4 Å²	25.4	29%	0.294	12%	0.121	S	C	.	.	H	α-helix	trans	-62.4	-43.2	173.8	-56.8	0	0	0	0	111.7	F60 L61 Q62 I66 I67 V68 L89	F60-T64 WeakPolarHBondContact O-CB 3.41Å; F60-T64 PolarHBondContact O-N 2.87Å; F60-T64 PolarHBondContact O-OG1 3.48Å; L61-T64 WeakPolarHBondContact O-CB 3.29Å; L61-T64 PolarHBondContact O-N 3.43Å; Q62-T64 VanDerWaalsContact C-N 3.28Å; Q62-T64 PolarHBondContact O-N 2.87Å; T64-I66 VanDerWaalsContact C-N 3.33Å; T64-I66 PolarHBondContact O-N 2.85Å; T64-I67 WeakPolarHBondContact O-CG1 3.36Å; T64-I67 PolarHBondContact O-N 3.34Å; T64-V68 PolarHBondContact O-N 2.95Å; T64-V68 VanDerWaalsContact O-N 3.11Å; T64-L89 HydrophobicContact CG2-CD1 4.33Å
65	A	98.6	Very high	96.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-62.7	-37.7	178.4	0	0	0	0	0	112.6	L61 Q62 I67 V68 H86 L89 N90	L61-A65 WeakPolarHBondContact O-CB 3.42Å; L61-A65 PolarHBondContact O-N 3.26Å; Q62-A65 WeakPolarHBondContact O-CB 3.27Å; Q62-A65 PolarHBondContact O-N 3.37Å; Q62-A65 VanDerWaalsContact O-N 3.08Å; A65-I67 VanDerWaalsContact C-N 3.32Å; A65-I67 PolarHBondContact O-N 3Å; A65-V68 VanDerWaalsContact O-CG1 3.25Å; A65-V68 WeakPolarHBondContact O-CG1 3.31Å; A65-V68 PolarHBondContact O-N 3.33Å; A65-H86 PolarHBondContact O-CE1 3.26Å; A65-H86 PolarHBondContact O-ND1 3.23Å; A65-L89 HydrophobicContact CB-CB 3.59Å; A65-L89 HydrophobicContact CB-CD1 4.19Å; A65-N90 WeakPolarHBondContact CB-ND2 3.39Å
66	I	98.6	Very high	95.8	Very high	29 Å²	29	31.6 Å²	31.6	15%	0.149	15%	0.148	C	C	.	.	H	α-helix	trans	-60.8	-40.5	177.8	-74.7	165.5	0	0	0	111.5	Q62 G63 T64 L164 F167 I215 A219	Q62-I66 HydrophobicContact CG-CD1 4.02Å; Q62-I66 WeakPolarHBondContact O-CG1 3.27Å; Q62-I66 PolarHBondContact O-N 3.49Å; G63-I66 PolarHBondContact O-N 3.47Å; T64-I66 VanDerWaalsContact C-N 3.33Å; T64-I66 PolarHBondContact O-N 2.85Å; I66-L164 HydrophobicContact CG2-CD2 3.72Å; I66-F167 HydrophobicContact CD1-CB 3.53Å; I66-F167 HydrophobicContact CD1-CD1 4.08Å; I66-F167 HydrophobicContact CD1-CD2 3.96Å; I66-F167 HydrophobicContact CD1-CG 3.58Å; I66-I215 HydrophobicContact CB-CG2 4.44Å; I66-I215 HydrophobicContact CG2-CG2 4.19Å; I66-A219 HydrophobicContact CG2-CB 3.75Å
67	I	98.2	Very high	95.4	Very high	7 Å²	7	32.4 Å²	32.4	4%	0.036	15%	0.154	C	C	.	.	H	α-helix	trans	-95.7	-1.1	-176	64.8	167.3	0	0	0	113.9	L13 G63 T64 A65 Y69 R70 I215 I218 A219	L13-I67 HydrophobicContact CD1-CD1 3.6Å; G63-I67 PolarHBondContact O-N 3.49Å; T64-I67 WeakPolarHBondContact O-CG1 3.36Å; T64-I67 PolarHBondContact O-N 3.34Å; A65-I67 VanDerWaalsContact C-N 3.32Å; A65-I67 PolarHBondContact O-N 3Å; I67-Y69 PolarHBondContact O-N 3.39Å; I67-Y69 VanDerWaalsContact O-N 3.13Å; I67-R70 WeakPolarHBondContact O-CA 3.46Å; I67-R70 VanDerWaalsContact O-CB 3.28Å; I67-R70 WeakPolarHBondContact O-CB 3.42Å; I67-R70 PolarHBondContact O-N 2.95Å; I67-I215 HydrophobicContact CD1-CD1 3.73Å; I67-I215 HydrophobicContact CG1-CD1 4.27Å; I67-I215 HydrophobicContact CG2-CD1 4.34Å; I67-I215 HydrophobicContact CG2-CG2 4.08Å; I67-I218 HydrophobicContact CB-CG2 3.91Å; I67-I218 HydrophobicContact CD1-CD1 4.12Å; I67-I218 HydrophobicContact CD1-CG2 4.36Å; I67-I218 HydrophobicContact CG2-CB 3.95Å; I67-I218 HydrophobicContact CG2-CG2 3.65Å; I67-A219 HydrophobicContact CG2-CB 4.22Å
68	V	97.4	Very high	95.1	Very high	9 Å²	9	35.7 Å²	35.7	6%	0.055	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-57.8	-34.3	-172.3	79.1	0	0	0	0	113.8	T64 A65 R70 L71 M82 I85 H86 L89	T64-V68 PolarHBondContact O-N 2.95Å; T64-V68 VanDerWaalsContact O-N 3.11Å; A65-V68 VanDerWaalsContact O-CG1 3.25Å; A65-V68 WeakPolarHBondContact O-CG1 3.31Å; A65-V68 PolarHBondContact O-N 3.33Å; V68-R70 PolarHBondContact O-N 3.22Å; V68-L71 HydrophobicContact CG2-CD1 4.4Å; V68-L71 WeakPolarHBondContact O-CG 3.49Å; V68-M82 HydrophobicContact CG1-CE 4.42Å; V68-M82 HydrophobicContact CG2-CE 3.75Å; V68-M82 VanDerWaalsContact O-CE 3.3Å; V68-M82 WeakPolarHBondContact O-CE 3.25Å; V68-I85 HydrophobicContact CG2-CG2 3.76Å; V68-H86 HydrophobicContact CG1-CB 3.82Å; V68-L89 HydrophobicContact CG2-CD1 4.26Å
69	Y	95.8	Very high	94.7	Very high	60 Å²	60	40 Å²	40	24%	0.235	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-72.9	-14	176.6	-75	-75.2	0	0	0	113.9	I67 W75 M82 K83 H86 R226	I67-Y69 PolarHBondContact O-N 3.39Å; I67-Y69 VanDerWaalsContact O-N 3.13Å; Y69-W75 PolarHBondContact O-NE1 2.9Å; Y69-M82 HydrophobicContact CD1-CB 3.9Å; Y69-M82 HydrophobicContact CE1-CB 3.43Å; Y69-M82 VanDerWaalsContact CE1-CB 3.43Å; Y69-M82 PolarHBondContact OH-O 3.34Å; Y69-K83 WeakPolarHBondContact OH-CA 3.49Å; Y69-K83 WeakPolarHBondContact OH-CG 3.25Å; Y69-K83 PolarHBondContact OH-N 2.83Å; Y69-H86 HydrophobicContact CD2-CB 4.5Å; Y69-H86 HydrophobicContact CE2-CB 3.64Å; Y69-H86 AromaticContact CE2-CG 3.71Å; Y69-H86 AromaticContact CE2-ND1 3.97Å; Y69-R226 WeakPolarHBondContact O-CB 3.05Å
70	R	94.9	Very high	94.5	Very high	33 Å²	33	44.1 Å²	44.1	13%	0.125	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-90.5	-8.5	-175.8	-58.3	-177.6	160.4	-85.7	5.3	112.6	M3 F9 I67 V68 P72 I218 A219 R221 W224	M3-R70 WeakPolarHBondContact CE-O 3.46Å; F9-R70 HydrophobicContact CE2-CB 4.2Å; F9-R70 WeakPolarHBondContact CE2-O 3.34Å; F9-R70 WeakPolarHBondContact CZ-O 3.31Å; I67-R70 WeakPolarHBondContact O-CA 3.46Å; I67-R70 VanDerWaalsContact O-CB 3.28Å; I67-R70 WeakPolarHBondContact O-CB 3.42Å; I67-R70 PolarHBondContact O-N 2.95Å; V68-R70 PolarHBondContact O-N 3.22Å; R70-P72 VanDerWaalsContact O-CD 3.28Å; R70-P72 WeakPolarHBondContact O-CD 3.33Å; R70-I218 HydrophobicContact CB-CG2 4.41Å; R70-I218 WeakPolarHBondContact CD-O 3.38Å; R70-I218 PolarHBondContact NE-O 3.29Å; R70-I218 PolarHBondContact NH1-O 2.95Å; R70-A219 VanDerWaalsContact NE-CA 3.32Å; R70-A219 PolarHBondContact NE-O 3.01Å; R70-A219 PolarHBondContact NH2-O 3.01Å; R70-R221 PolarHBondContact NH1-O 3.4Å; R70-W224 WeakPolarHBondContact CA-O 3.49Å; R70-W224 WeakPolarHBondContact CB-O 3.25Å; R70-W224 PolarHBondContact NH1-O 3.33Å
71	L	93.9	Very high	94.3	Very high	29 Å²	29	46 Å²	46	15%	0.152	23%	0.228	C	C	.	.			trans	-66.2	114.4	177.2	-57.9	-178	0	0	0	110.4	F9 L13 V68 W73 T74 W75	F9-L71 HydrophobicContact CE1-CD2 4.49Å; F9-L71 HydrophobicContact CZ-CD2 4.03Å; L13-L71 HydrophobicContact CD1-CD2 4.03Å; L13-L71 HydrophobicContact CD2-CD2 3.77Å; V68-L71 HydrophobicContact CG2-CD1 4.4Å; V68-L71 WeakPolarHBondContact O-CG 3.49Å; L71-W73 VanDerWaalsContact C-N 3.3Å; L71-W73 HydrophobicContact CB-CD2 4.44Å; L71-W73 HydrophobicContact CB-CZ2 4.25Å; L71-W73 HydrophobicContact CD2-CH2 4.46Å; L71-W73 HydrophobicContact CD2-CZ2 3.82Å; L71-W73 HydrophobicContact CG-CZ2 4.41Å; L71-W73 PolarHBondContact O-N 3.35Å; L71-T74 HydrophobicContact CB-CG2 3.79Å; L71-T74 HydrophobicContact CD1-CG2 4.16Å; L71-T74 PolarHBondContact O-N 3.44Å; L71-T74 PolarHBondContact O-OG1 3.4Å; L71-W75 VanDerWaalsContact O-CD1 3.28Å; L71-W75 PolarHBondContact O-NE1 3.26Å
72	P	90.8	Very high	94.2	Very high	20 Å²	20	44.5 Å²	44.5	13%	0.13	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-63.9	-32.6	-172.1	11	-17	0	0	0	113.8	M3 L6 F9 R70 T74 W75	M3-P72 HydrophobicContact CB-CB 4.22Å; M3-P72 HydrophobicContact CE-CB 3.8Å; M3-P72 HydrophobicContact CE-CG 3.51Å; M3-P72 HydrophobicContact SD-CB 4.48Å; M3-P72 HydrophobicContact SD-CG 3.96Å; L6-P72 HydrophobicContact CD1-CB 4.42Å; L6-P72 HydrophobicContact CD1-CG 3.61Å; F9-P72 HydrophobicContact CD1-CG 4.08Å; F9-P72 HydrophobicContact CE1-CG 3.95Å; R70-P72 VanDerWaalsContact O-CD 3.28Å; R70-P72 WeakPolarHBondContact O-CD 3.33Å; P72-T74 PolarHBondContact O-N 2.88Å; P72-W75 HydrophobicContact CB-CD2 4.31Å; P72-W75 HydrophobicContact CB-CE3 4.26Å; P72-W75 HydrophobicContact CB-CH2 4.38Å; P72-W75 HydrophobicContact CB-CZ2 4.39Å; P72-W75 HydrophobicContact CB-CZ3 4.3Å; P72-W75 WeakPolarHBondContact O-CB 3.31Å; P72-W75 PolarHBondContact O-N 2.99Å
73	W	90.7	Very high	94.1	Very high	141 Å²	141	47 Å²	47	53%	0.534	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-67.7	-15.3	175.7	45.6	91.2	0	0	0	113.6	F9 L10 L13 L71	F9-W73 HydrophobicContact CE1-CH2 4.13Å; F9-W73 HydrophobicContact CE1-CZ3 4.28Å; L10-W73 HydrophobicContact CD2-CH2 3.9Å; L10-W73 HydrophobicContact CD2-CZ3 3.66Å; L13-W73 HydrophobicContact CD2-CH2 3.48Å; L13-W73 VanDerWaalsContact CD2-CH2 3.48Å; L13-W73 HydrophobicContact CD2-CZ2 3.76Å; L71-W73 VanDerWaalsContact C-N 3.3Å; L71-W73 HydrophobicContact CB-CD2 4.44Å; L71-W73 HydrophobicContact CB-CZ2 4.25Å; L71-W73 HydrophobicContact CD2-CH2 4.46Å; L71-W73 HydrophobicContact CD2-CZ2 3.82Å; L71-W73 HydrophobicContact CG-CZ2 4.41Å; L71-W73 PolarHBondContact O-N 3.35Å
74	T	91.4	Very high	94	Very high	15 Å²	15	52.5 Å²	52.5	9%	0.092	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-94.7	-3.3	176.7	75	0	0	0	0	113.4	L71 P72 Q76 C77 M82	L71-T74 HydrophobicContact CB-CG2 3.79Å; L71-T74 HydrophobicContact CD1-CG2 4.16Å; L71-T74 PolarHBondContact O-N 3.44Å; L71-T74 PolarHBondContact O-OG1 3.4Å; P72-T74 PolarHBondContact O-N 2.88Å; T74-Q76 VanDerWaalsContact C-N 3.25Å; T74-Q76 PolarHBondContact O-N 3.02Å; T74-C77 VanDerWaalsContact O-CB 3.3Å; T74-C77 WeakPolarHBondContact O-CB 3.29Å; T74-C77 PolarHBondContact O-N 3.32Å; T74-M82 VanDerWaalsContact CB-SD 3.56Å; T74-M82 HydrophobicContact CG2-CE 3.88Å; T74-M82 HydrophobicContact CG2-SD 3.99Å; T74-M82 WeakPolarHBondContact OG1-CE 3.41Å
75	W	88.5	Confident	94	Very high	23 Å²	23	53.4 Å²	53.4	9%	0.087	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-27.6	-178	-68	-6.3	0	0	0	113.4	M3 Y69 L71 P72 R226 P227	M3-W75 HydrophobicContact CB-CH2 3.75Å; M3-W75 HydrophobicContact CB-CZ3 3.93Å; M3-W75 HydrophobicContact CE-CH2 3.54Å; M3-W75 HydrophobicContact CE-CZ2 3.4Å; M3-W75 VanDerWaalsContact CE-CZ2 3.4Å; M3-W75 HydrophobicContact CG-CH2 3.91Å; Y69-W75 PolarHBondContact O-NE1 2.9Å; L71-W75 VanDerWaalsContact O-CD1 3.28Å; L71-W75 PolarHBondContact O-NE1 3.26Å; P72-W75 HydrophobicContact CB-CD2 4.31Å; P72-W75 HydrophobicContact CB-CE3 4.26Å; P72-W75 HydrophobicContact CB-CH2 4.38Å; P72-W75 HydrophobicContact CB-CZ2 4.39Å; P72-W75 HydrophobicContact CB-CZ3 4.3Å; P72-W75 WeakPolarHBondContact O-CB 3.31Å; P72-W75 PolarHBondContact O-N 2.99Å; W75-R226 HydrophobicContact CG-CG 4.46Å; W75-P227 HydrophobicContact CD2-CG 4.11Å; W75-P227 HydrophobicContact CE3-CG 3.94Å; W75-P227 HydrophobicContact CZ3-CG 4.27Å
76	Q	86.5	Confident	93.9	Very high	136 Å²	136	55.1 Å²	55.1	64%	0.636	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-10.6	173.7	-58.3	-58.1	-45.3	0	0	112.7	T74	T74-Q76 VanDerWaalsContact C-N 3.25Å; T74-Q76 PolarHBondContact O-N 3.02Å
77	C	89.6	Confident	93.9	Very high	43 Å²	43	54.6 Å²	54.6	29%	0.291	27%	0.265	S	S	.	.	S	Bend	trans	-77.2	156	177.6	-59.8	0	0	0	0	111.7	T74 K79 M81 R226	T74-C77 VanDerWaalsContact O-CB 3.3Å; T74-C77 WeakPolarHBondContact O-CB 3.29Å; T74-C77 PolarHBondContact O-N 3.32Å; C77-K79 PolarHBondContact O-N 3.44Å; C77-M81 HydrophobicContact CB-CE 3.49Å; C77-M81 VanDerWaalsContact CB-CE 3.49Å; C77-R226 PolarHBondContact O-NH2 3.23Å
78	S	92.6	Very high	93.9	Very high	70 Å²	70	55.8 Å²	55.8	49%	0.49	28%	0.279	S	S	.	.			trans	-51	130	175.8	172.3	0	0	0	0	111.8	L80 M81 M82	S78-L80 PolarHBondContact O-N 2.9Å; S78-L80 PolarHBondContact OG-N 2.93Å; S78-M81 WeakPolarHBondContact O-CB 3.28Å; S78-M81 PolarHBondContact O-N 2.83Å; S78-M81 VanDerWaalsContact O-N 3.16Å; S78-M81 PolarHBondContact OG-N 3.13Å; S78-M82 PolarHBondContact O-N 2.79Å
79	K	90.3	Very high	94	Very high	96 Å²	96	57.2 Å²	57.2	42%	0.417	29%	0.286	S	S	.	.	H	α-helix	trans	-60.8	-34.3	176	-169.7	175.5	-170.8	173.4	0	111.7	C77 M82 K83 D229	C77-K79 PolarHBondContact O-N 3.44Å; K79-M82 PolarHBondContact O-N 3.28Å; K79-K83 WeakPolarHBondContact O-CG 3.34Å; K79-K83 PolarHBondContact O-N 3.04Å; K79-D229 IonicContact NZ-OD2 3.84Å; K79-D229 PolarHBondContact NZ-OD2 2.86Å
80	L	93.5	Very high	94.1	Very high	89 Å²	89	55.1 Å²	55.1	47%	0.466	28%	0.279	S	S	.	.	H	α-helix	trans	-65.4	-45.2	175	-177.9	62.4	0	0	0	111.1	S78 M82 K83 F84 L143	S78-L80 PolarHBondContact O-N 2.9Å; S78-L80 PolarHBondContact OG-N 2.93Å; L80-M82 VanDerWaalsContact C-N 3.31Å; L80-M82 PolarHBondContact O-N 3.09Å; L80-K83 WeakPolarHBondContact O-CA 3.48Å; L80-K83 WeakPolarHBondContact O-CB 3.39Å; L80-K83 PolarHBondContact O-N 3.39Å; L80-F84 HydrophobicContact CD1-CD2 4.24Å; L80-F84 HydrophobicContact CD1-CE2 3.74Å; L80-F84 HydrophobicContact CD1-CZ 4.41Å; L80-F84 HydrophobicContact CD2-CE2 4.11Å; L80-F84 HydrophobicContact CG-CD2 4Å; L80-F84 HydrophobicContact CG-CE2 3.64Å; L80-F84 WeakPolarHBondContact O-CD2 3.44Å; L80-F84 PolarHBondContact O-N 3.11Å; L80-L143 HydrophobicContact CD1-CD1 4.27Å
81	M	95.1	Very high	94.3	Very high	84 Å²	84	57.6 Å²	57.6	41%	0.414	29%	0.294	S	S	.	.	H	α-helix	trans	-58.2	-44.2	175.9	-173	-175	88.7	0	0	111.5	C77 S78 K83 F84 I85	C77-M81 HydrophobicContact CB-CE 3.49Å; C77-M81 VanDerWaalsContact CB-CE 3.49Å; S78-M81 WeakPolarHBondContact O-CB 3.28Å; S78-M81 PolarHBondContact O-N 2.83Å; S78-M81 VanDerWaalsContact O-N 3.16Å; S78-M81 PolarHBondContact OG-N 3.13Å; M81-K83 VanDerWaalsContact C-N 3.29Å; M81-K83 PolarHBondContact O-N 3.44Å; M81-F84 WeakPolarHBondContact O-CB 3.49Å; M81-F84 PolarHBondContact O-N 3.3Å; M81-F84 VanDerWaalsContact O-N 3.12Å; M81-I85 HydrophobicContact CE-CD1 4.11Å; M81-I85 HydrophobicContact CG-CD1 4.18Å; M81-I85 WeakPolarHBondContact O-CG1 3.34Å; M81-I85 PolarHBondContact O-N 3.43Å
82	M	95.9	Very high	94.5	Very high	1 Å²	1	59 Å²	59	1%	0.005	30%	0.304	C	S	.	.	H	α-helix	trans	-65.8	-30.3	177	-64.9	-52.7	-61.4	0	0	113.2	V68 Y69 T74 S78 K79 L80 I85 H86	V68-M82 HydrophobicContact CG1-CE 4.42Å; V68-M82 HydrophobicContact CG2-CE 3.75Å; V68-M82 VanDerWaalsContact O-CE 3.3Å; V68-M82 WeakPolarHBondContact O-CE 3.25Å; Y69-M82 HydrophobicContact CD1-CB 3.9Å; Y69-M82 HydrophobicContact CE1-CB 3.43Å; Y69-M82 VanDerWaalsContact CE1-CB 3.43Å; Y69-M82 PolarHBondContact OH-O 3.34Å; T74-M82 VanDerWaalsContact CB-SD 3.56Å; T74-M82 HydrophobicContact CG2-CE 3.88Å; T74-M82 HydrophobicContact CG2-SD 3.99Å; T74-M82 WeakPolarHBondContact OG1-CE 3.41Å; S78-M82 PolarHBondContact O-N 2.79Å; K79-M82 PolarHBondContact O-N 3.28Å; L80-M82 VanDerWaalsContact C-N 3.31Å; L80-M82 PolarHBondContact O-N 3.09Å; M82-I85 HydrophobicContact CE-CD1 4.48Å; M82-I85 HydrophobicContact SD-CD1 3.78Å; M82-H86 WeakPolarHBondContact O-CB 3.49Å; M82-H86 PolarHBondContact O-N 2.89Å
83	K	95.9	Very high	94.9	Very high	54 Å²	54	58 Å²	58	24%	0.235	30%	0.298	C	S	.	.	H	α-helix	trans	-65.9	-41.6	169.9	-69.4	171.6	173.8	-173.6	0	112.2	Y69 K79 L80 M81 H86 A87 Y142 L143	Y69-K83 WeakPolarHBondContact OH-CA 3.49Å; Y69-K83 WeakPolarHBondContact OH-CG 3.25Å; Y69-K83 PolarHBondContact OH-N 2.83Å; K79-K83 WeakPolarHBondContact O-CG 3.34Å; K79-K83 PolarHBondContact O-N 3.04Å; L80-K83 WeakPolarHBondContact O-CA 3.48Å; L80-K83 WeakPolarHBondContact O-CB 3.39Å; L80-K83 PolarHBondContact O-N 3.39Å; M81-K83 VanDerWaalsContact C-N 3.29Å; M81-K83 PolarHBondContact O-N 3.44Å; K83-H86 PolarHBondContact O-N 2.83Å; K83-A87 VanDerWaalsContact O-CB 3.24Å; K83-A87 WeakPolarHBondContact O-CB 3.38Å; K83-A87 PolarHBondContact O-N 3.37Å; K83-Y142 WeakPolarHBondContact CD-O 3.41Å; K83-Y142 VanDerWaalsContact CE-O 3.28Å; K83-Y142 WeakPolarHBondContact CE-O 3.49Å; K83-Y142 PolarHBondContact NZ-O 3.47Å; K83-L143 HydrophobicContact CB-CD1 3.53Å; K83-L143 HydrophobicContact CD-CD1 4.38Å
84	F	97.5	Very high	95.3	Very high	116 Å²	116	53.5 Å²	53.5	51%	0.509	28%	0.282	S	S	.	.	H	α-helix	trans	-64	-42.3	174.3	-77.6	-64	0	0	0	112.3	L80 M81 A87 G88 L143	L80-F84 HydrophobicContact CD1-CD2 4.24Å; L80-F84 HydrophobicContact CD1-CE2 3.74Å; L80-F84 HydrophobicContact CD1-CZ 4.41Å; L80-F84 HydrophobicContact CD2-CE2 4.11Å; L80-F84 HydrophobicContact CG-CD2 4Å; L80-F84 HydrophobicContact CG-CE2 3.64Å; L80-F84 WeakPolarHBondContact O-CD2 3.44Å; L80-F84 PolarHBondContact O-N 3.11Å; M81-F84 WeakPolarHBondContact O-CB 3.49Å; M81-F84 PolarHBondContact O-N 3.3Å; M81-F84 VanDerWaalsContact O-N 3.12Å; F84-A87 PolarHBondContact O-N 3.47Å; F84-G88 WeakPolarHBondContact O-CA 3.32Å; F84-G88 PolarHBondContact O-N 3.08Å; F84-L143 HydrophobicContact CD1-CD1 4.13Å; F84-L143 HydrophobicContact CD1-CD2 4.08Å; F84-L143 HydrophobicContact CE1-CD1 4.09Å; F84-L143 HydrophobicContact CE1-CD2 3.84Å; F84-L143 HydrophobicContact CE1-CG 4.24Å; F84-L143 HydrophobicContact CG-CD1 4.38Å; F84-L143 HydrophobicContact CZ-CD1 4.32Å
85	I	97.6	Very high	95.7	Very high	66 Å²	66	56.7 Å²	56.7	34%	0.338	30%	0.297	S	S	.	.	H	α-helix	trans	-63.4	-47.1	176.7	-63.4	163.9	0	0	0	110.4	V68 M81 M82 G88 L89	V68-I85 HydrophobicContact CG2-CG2 3.76Å; M81-I85 HydrophobicContact CE-CD1 4.11Å; M81-I85 HydrophobicContact CG-CD1 4.18Å; M81-I85 WeakPolarHBondContact O-CG1 3.34Å; M81-I85 PolarHBondContact O-N 3.43Å; M82-I85 HydrophobicContact CE-CD1 4.48Å; M82-I85 HydrophobicContact SD-CD1 3.78Å; I85-G88 PolarHBondContact O-N 2.75Å; I85-L89 HydrophobicContact CG2-CD1 3.93Å; I85-L89 HydrophobicContact CG2-CG 4.39Å; I85-L89 WeakPolarHBondContact O-CB 3.34Å; I85-L89 WeakPolarHBondContact O-CG 3.5Å; I85-L89 PolarHBondContact O-N 3.2Å
86	H	98.3	Very high	96.2	Very high	37 Å²	37	58.4 Å²	58.4	17%	0.171	31%	0.305	C	S	.	.	H	α-helix	trans	-59.5	-48.8	176.7	178.7	79.7	0	0	0	112	A65 V68 Y69 M82 K83 N90	A65-H86 PolarHBondContact O-CE1 3.26Å; A65-H86 PolarHBondContact O-ND1 3.23Å; V68-H86 HydrophobicContact CG1-CB 3.82Å; Y69-H86 HydrophobicContact CD2-CB 4.5Å; Y69-H86 HydrophobicContact CE2-CB 3.64Å; Y69-H86 AromaticContact CE2-CG 3.71Å; Y69-H86 AromaticContact CE2-ND1 3.97Å; M82-H86 WeakPolarHBondContact O-CB 3.49Å; M82-H86 PolarHBondContact O-N 2.89Å; K83-H86 PolarHBondContact O-N 2.83Å; H86-N90 PolarHBondContact CE1-ND2 2.71Å; H86-N90 PolarHBondContact NE2-ND2 2.78Å; H86-N90 PolarHBondContact O-N 3.45Å; H86-N90 VanDerWaalsContact O-N 3.13Å; H86-N90 PolarHBondContact O-ND2 2.72Å
87	A	98.3	Very high	96.7	Very high	18 Å²	18	52 Å²	52	15%	0.149	28%	0.276	C	S	.	.	H	α-helix	trans	-63.8	-42.5	178.8	0	0	0	0	0	111.9	K83 F84 N90 L91 L143	K83-A87 VanDerWaalsContact O-CB 3.24Å; K83-A87 WeakPolarHBondContact O-CB 3.38Å; K83-A87 PolarHBondContact O-N 3.37Å; F84-A87 PolarHBondContact O-N 3.47Å; A87-N90 PolarHBondContact O-N 3.07Å; A87-L91 VanDerWaalsContact O-CB 3.27Å; A87-L91 WeakPolarHBondContact O-CB 3.44Å; A87-L91 PolarHBondContact O-N 3.24Å; A87-L143 HydrophobicContact CB-CD2 4.46Å
88	G	98.4	Very high	97.2	Very high	31 Å²	31	53.4 Å²	53.4	32%	0.32	28%	0.28	S	S	.	.	H	α-helix	trans	-62.2	-48.8	178.7	0	0	0	0	0	112.3	F84 I85 N90 L91 T92	F84-G88 WeakPolarHBondContact O-CA 3.32Å; F84-G88 PolarHBondContact O-N 3.08Å; I85-G88 PolarHBondContact O-N 2.75Å; G88-N90 PolarHBondContact O-N 2.77Å; G88-L91 PolarHBondContact O-N 2.83Å; G88-T92 PolarHBondContact O-N 3.39Å; G88-T92 PolarHBondContact O-OG1 3.39Å; G88-T92 VanDerWaalsContact O-OG1 3.09Å
89	L	98.6	Very high	97.4	Very high	40 Å²	40	53.2 Å²	53.2	21%	0.209	27%	0.273	C	S	.	.	H	α-helix	trans	-60.2	-44.4	176.7	-72	169.6	0	0	0	111.9	L61 T64 A65 V68 I85 T92 A93	L61-L89 HydrophobicContact CD2-CD2 4.41Å; T64-L89 HydrophobicContact CG2-CD1 4.33Å; A65-L89 HydrophobicContact CB-CB 3.59Å; A65-L89 HydrophobicContact CB-CD1 4.19Å; V68-L89 HydrophobicContact CG2-CD1 4.26Å; I85-L89 HydrophobicContact CG2-CD1 3.93Å; I85-L89 HydrophobicContact CG2-CG 4.39Å; I85-L89 WeakPolarHBondContact O-CB 3.34Å; I85-L89 WeakPolarHBondContact O-CG 3.5Å; I85-L89 PolarHBondContact O-N 3.2Å; L89-T92 PolarHBondContact O-N 3.04Å; L89-A93 WeakPolarHBondContact O-CB 3.37Å; L89-A93 PolarHBondContact O-N 2.81Å
90	N	98.7	Very high	97.8	Very high	16 Å²	16	48.7 Å²	48.7	9%	0.086	25%	0.253	C	S	.	.	H	α-helix	trans	-67.5	-35.5	177.7	-76	-78	0	0	0	112.3	A65 H86 A87 G88 A93 F94 Y131 L135	A65-N90 WeakPolarHBondContact CB-ND2 3.39Å; H86-N90 PolarHBondContact CE1-ND2 2.71Å; H86-N90 PolarHBondContact NE2-ND2 2.78Å; H86-N90 PolarHBondContact O-N 3.45Å; H86-N90 VanDerWaalsContact O-N 3.13Å; H86-N90 PolarHBondContact O-ND2 2.72Å; A87-N90 PolarHBondContact O-N 3.07Å; G88-N90 PolarHBondContact O-N 2.77Å; N90-A93 PolarHBondContact O-N 3.15Å; N90-F94 PolarHBondContact O-N 2.96Å; N90-Y131 VanDerWaalsContact CA-OH 3.3Å; N90-Y131 WeakPolarHBondContact CA-OH 3.39Å; N90-Y131 WeakPolarHBondContact CB-OH 3.35Å; N90-Y131 WeakPolarHBondContact O-CE1 3.38Å; N90-Y131 PolarHBondContact O-OH 3.35Å; N90-Y131 VanDerWaalsContact O-OH 3.11Å; N90-Y131 PolarHBondContact OD1-OH 3.21Å; N90-L135 HydrophobicContact CB-CD1 3.93Å
91	L	98.7	Very high	98.1	Very high	85 Å²	85	46 Å²	46	45%	0.445	24%	0.238	S	C	.	.	H	α-helix	trans	-66.2	-44.9	175.6	177.5	63.1	0	0	0	111.3	A87 G88 A93 F94 I95 L135	A87-L91 VanDerWaalsContact O-CB 3.27Å; A87-L91 WeakPolarHBondContact O-CB 3.44Å; A87-L91 PolarHBondContact O-N 3.24Å; G88-L91 PolarHBondContact O-N 2.83Å; L91-A93 VanDerWaalsContact C-N 3.33Å; L91-A93 PolarHBondContact O-N 2.9Å; L91-F94 WeakPolarHBondContact O-CB 3.42Å; L91-F94 PolarHBondContact O-N 2.91Å; L91-F94 VanDerWaalsContact O-N 3.15Å; L91-I95 HydrophobicContact CD1-CD1 4.43Å; L91-I95 HydrophobicContact CG-CD1 4.17Å; L91-I95 WeakPolarHBondContact O-CG1 3.36Å; L91-I95 PolarHBondContact O-N 3.3Å; L91-L135 HydrophobicContact CB-CD2 4.36Å; L91-L135 HydrophobicContact CD1-CD2 3.96Å
92	T	98.8	Very high	98.2	Very high	58 Å²	58	44.8 Å²	44.8	36%	0.356	24%	0.236	S	C	.	.	H	α-helix	trans	-60.6	-44	174.6	-56.2	0	0	0	0	111.2	L61 G88 L89 F94 I95 F96	L61-T92 HydrophobicContact CD1-CG2 3.78Å; G88-T92 PolarHBondContact O-N 3.39Å; G88-T92 PolarHBondContact O-OG1 3.39Å; G88-T92 VanDerWaalsContact O-OG1 3.09Å; L89-T92 PolarHBondContact O-N 3.04Å; T92-F94 VanDerWaalsContact C-N 3.29Å; T92-F94 PolarHBondContact O-N 3.33Å; T92-I95 PolarHBondContact O-N 2.89Å; T92-F96 HydrophobicContact CG2-CE1 4.23Å; T92-F96 HydrophobicContact CG2-CZ 4.33Å; T92-F96 PolarHBondContact O-N 3.45Å
93	A	98.8	Very high	98.4	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-58.7	-40.5	173.9	0	0	0	0	0	112.2	G57 F58 L61 Q62 L89 N90 L91 F96 A97	G57-A93 VanDerWaalsContact O-CB 3.26Å; G57-A93 WeakPolarHBondContact O-CB 3.35Å; F58-A93 HydrophobicContact CD1-CB 4.4Å; F58-A93 WeakPolarHBondContact CD1-O 3.23Å; L61-A93 HydrophobicContact CB-CB 4.13Å; Q62-A93 HydrophobicContact CB-CB 4.47Å; L89-A93 WeakPolarHBondContact O-CB 3.37Å; L89-A93 PolarHBondContact O-N 2.81Å; N90-A93 PolarHBondContact O-N 3.15Å; L91-A93 VanDerWaalsContact C-N 3.33Å; L91-A93 PolarHBondContact O-N 2.9Å; A93-F96 PolarHBondContact O-N 3.36Å; A93-A97 PolarHBondContact O-N 3.43Å; A93-A97 VanDerWaalsContact O-N 3.07Å
94	F	98.8	Very high	98.5	Very high	45 Å²	45	43 Å²	43	20%	0.197	23%	0.229	C	C	.	.	H	α-helix	trans	-64.9	-44.9	176.1	-168.1	-121.5	0	0	0	112.6	F58 N90 L91 T92 F96 A97 I98 V128 Y131 L135	F58-F94 HydrophobicContact CE1-CD2 4.34Å; F58-F94 HydrophobicContact CZ-CD2 4.33Å; N90-F94 PolarHBondContact O-N 2.96Å; L91-F94 WeakPolarHBondContact O-CB 3.42Å; L91-F94 PolarHBondContact O-N 2.91Å; L91-F94 VanDerWaalsContact O-N 3.15Å; T92-F94 VanDerWaalsContact C-N 3.29Å; T92-F94 PolarHBondContact O-N 3.33Å; F94-F96 VanDerWaalsContact C-N 3.28Å; F94-F96 PolarHBondContact O-N 2.89Å; F94-A97 PolarHBondContact O-N 3.16Å; F94-A97 VanDerWaalsContact O-N 3.13Å; F94-I98 HydrophobicContact CD1-CG1 4.32Å; F94-I98 HydrophobicContact CE1-CD1 4.24Å; F94-I98 HydrophobicContact CE1-CG1 4.04Å; F94-I98 HydrophobicContact CE2-CD1 4.08Å; F94-I98 HydrophobicContact CE2-CG1 4.38Å; F94-I98 HydrophobicContact CZ-CD1 3.8Å; F94-I98 HydrophobicContact CZ-CG1 4.08Å; F94-I98 WeakPolarHBondContact O-CG1 3.24Å; F94-I98 PolarHBondContact O-N 3.49Å; F94-V128 HydrophobicContact CE2-CG1 4.05Å; F94-Y131 HydrophobicContact CB-CD1 4.22Å; F94-Y131 HydrophobicContact CB-CE1 3.89Å; F94-Y131 AromaticContact CD2-CD1 3.6Å; F94-Y131 HydrophobicContact CD2-CD1 3.6Å; F94-Y131 HydrophobicContact CD2-CE1 4.16Å; F94-Y131 HydrophobicContact CE2-CD1 4.39Å; F94-Y131 HydrophobicContact CG-CD1 4.25Å; F94-Y131 HydrophobicContact CG-CE1 4.41Å; F94-L135 HydrophobicContact CB-CD2 4.14Å; F94-L135 HydrophobicContact CD1-CD2 4.27Å; F94-L135 HydrophobicContact CG-CD2 4.31Å
95	I	98.8	Very high	98.5	Very high	83 Å²	83	40.5 Å²	40.5	43%	0.426	22%	0.218	S	C	.	.	H	α-helix	trans	-56.8	-45.8	176.5	-69	165.3	0	0	0	110.1	L91 T92 A97 I98 I99	L91-I95 HydrophobicContact CD1-CD1 4.43Å; L91-I95 HydrophobicContact CG-CD1 4.17Å; L91-I95 WeakPolarHBondContact O-CG1 3.36Å; L91-I95 PolarHBondContact O-N 3.3Å; T92-I95 PolarHBondContact O-N 2.89Å; I95-A97 VanDerWaalsContact C-N 3.33Å; I95-A97 PolarHBondContact O-N 3Å; I95-I98 PolarHBondContact O-N 3.23Å; I95-I99 HydrophobicContact CG2-CD1 3.84Å; I95-I99 WeakPolarHBondContact O-CG1 3.37Å; I95-I99 PolarHBondContact O-N 3.43Å
96	F	98.8	Very high	98.5	Very high	58 Å²	58	40.2 Å²	40.2	25%	0.254	22%	0.217	S	C	.	.	H	α-helix	trans	-61.3	-41.5	177.5	-77.4	12.7	0	0	0	112.1	L53 T56 L61 T92 A93 F94 I99 A100	L53-F96 HydrophobicContact CB-CB 4.35Å; L53-F96 HydrophobicContact CD2-CB 4.37Å; L53-F96 HydrophobicContact CD2-CD1 4.46Å; L53-F96 HydrophobicContact CD2-CD2 4.13Å; L53-F96 HydrophobicContact CD2-CG 4.09Å; T56-F96 HydrophobicContact CG2-CD2 4.29Å; T56-F96 HydrophobicContact CG2-CE2 3.92Å; L61-F96 HydrophobicContact CD1-CD2 4.27Å; L61-F96 HydrophobicContact CD1-CE2 4.06Å; T92-F96 HydrophobicContact CG2-CE1 4.23Å; T92-F96 HydrophobicContact CG2-CZ 4.33Å; T92-F96 PolarHBondContact O-N 3.45Å; A93-F96 PolarHBondContact O-N 3.36Å; F94-F96 VanDerWaalsContact C-N 3.28Å; F94-F96 PolarHBondContact O-N 2.89Å; F96-I99 PolarHBondContact O-N 2.95Å; F96-A100 VanDerWaalsContact O-CB 3.3Å; F96-A100 WeakPolarHBondContact O-CB 3.49Å; F96-A100 PolarHBondContact O-N 3.48Å
97	A	98.4	Very high	98.5	Very high	2 Å²	2	39.5 Å²	39.5	2%	0.017	21%	0.214	C	C	.	.	H	α-helix	trans	-65.9	-38.6	176.5	0	0	0	0	0	113	F58 A93 F94 I95 A100 M101	F58-A97 HydrophobicContact CD1-CB 3.47Å; F58-A97 VanDerWaalsContact CD1-CB 3.47Å; F58-A97 HydrophobicContact CD2-CB 3.84Å; F58-A97 HydrophobicContact CE1-CB 3.2Å; F58-A97 HydrophobicContact CE2-CB 3.56Å; F58-A97 HydrophobicContact CG-CB 3.81Å; F58-A97 HydrophobicContact CZ-CB 3.23Å; A93-A97 PolarHBondContact O-N 3.43Å; A93-A97 VanDerWaalsContact O-N 3.07Å; F94-A97 PolarHBondContact O-N 3.16Å; F94-A97 VanDerWaalsContact O-N 3.13Å; I95-A97 VanDerWaalsContact C-N 3.33Å; I95-A97 PolarHBondContact O-N 3Å; A97-A100 WeakPolarHBondContact O-CB 3.03Å; A97-A100 PolarHBondContact O-N 2.91Å; A97-M101 WeakPolarHBondContact O-CG 3.45Å; A97-M101 PolarHBondContact O-N 3.1Å
98	I	98.8	Very high	98.5	Very high	73 Å²	73	40.1 Å²	40.1	37%	0.374	21%	0.213	S	C	.	.	H	α-helix	trans	-62.2	-47.4	174.6	-63.9	-55.5	0	0	0	110.4	F94 I95 A100 M101 V102 V128	F94-I98 HydrophobicContact CD1-CG1 4.32Å; F94-I98 HydrophobicContact CE1-CD1 4.24Å; F94-I98 HydrophobicContact CE1-CG1 4.04Å; F94-I98 HydrophobicContact CE2-CD1 4.08Å; F94-I98 HydrophobicContact CE2-CG1 4.38Å; F94-I98 HydrophobicContact CZ-CD1 3.8Å; F94-I98 HydrophobicContact CZ-CG1 4.08Å; F94-I98 WeakPolarHBondContact O-CG1 3.24Å; F94-I98 PolarHBondContact O-N 3.49Å; I95-I98 PolarHBondContact O-N 3.23Å; I98-A100 VanDerWaalsContact C-N 3.3Å; I98-A100 PolarHBondContact O-N 3.35Å; I98-M101 PolarHBondContact O-N 3.44Å; I98-M101 VanDerWaalsContact O-N 3.14Å; I98-V102 HydrophobicContact CG2-CG2 4.49Å; I98-V102 WeakPolarHBondContact O-CG2 3.05Å; I98-V102 PolarHBondContact O-N 2.92Å; I98-V128 HydrophobicContact CD1-CG1 3.89Å
99	I	98.8	Very high	98.5	Very high	66 Å²	66	43.2 Å²	43.2	34%	0.338	22%	0.223	S	C	.	.	H	α-helix	trans	-60.1	-42.2	176.3	-62.2	166.9	0	0	0	110.5	W40 L53 I95 F96 M101 V102 A103	W40-I99 HydrophobicContact CH2-CG2 3.67Å; W40-I99 HydrophobicContact CZ3-CG2 3.82Å; L53-I99 HydrophobicContact CD1-CB 3.87Å; L53-I99 HydrophobicContact CD1-CG2 3.45Å; L53-I99 VanDerWaalsContact CD1-CG2 3.45Å; I95-I99 HydrophobicContact CG2-CD1 3.84Å; I95-I99 WeakPolarHBondContact O-CG1 3.37Å; I95-I99 PolarHBondContact O-N 3.43Å; F96-I99 PolarHBondContact O-N 2.95Å; I99-M101 VanDerWaalsContact C-N 3.3Å; I99-M101 PolarHBondContact O-N 3.01Å; I99-V102 PolarHBondContact O-N 2.88Å; I99-A103 PolarHBondContact O-N 3.21Å
100	A	98.6	Very high	98.4	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-60.8	-37	176.3	0	0	0	0	0	113	H50 L53 V54 F96 A97 I98	H50-A100 PolarHBondContact ND1-O 3.33Å; L53-A100 HydrophobicContact CB-CB 3.79Å; L53-A100 HydrophobicContact CD1-CB 4.33Å; V54-A100 HydrophobicContact CG2-CB 4Å; F96-A100 VanDerWaalsContact O-CB 3.3Å; F96-A100 WeakPolarHBondContact O-CB 3.49Å; F96-A100 PolarHBondContact O-N 3.48Å; A97-A100 WeakPolarHBondContact O-CB 3.03Å; A97-A100 PolarHBondContact O-N 2.91Å; I98-A100 VanDerWaalsContact C-N 3.3Å; I98-A100 PolarHBondContact O-N 3.35Å
101	M	98.3	Very high	98.3	Very high	33 Å²	33	46.7 Å²	46.7	16%	0.163	26%	0.255	C	S	.	.	H	α-helix	trans	-71.7	-45.1	176.3	-69.3	-53.5	-58.8	0	0	110.9	A97 I98 I99 A103 V104 F105 V128	A97-M101 WeakPolarHBondContact O-CG 3.45Å; A97-M101 PolarHBondContact O-N 3.1Å; I98-M101 PolarHBondContact O-N 3.44Å; I98-M101 VanDerWaalsContact O-N 3.14Å; I99-M101 VanDerWaalsContact C-N 3.3Å; I99-M101 PolarHBondContact O-N 3.01Å; M101-A103 VanDerWaalsContact C-N 3.3Å; M101-A103 PolarHBondContact O-N 3.26Å; M101-V104 PolarHBondContact O-N 3.36Å; M101-V104 VanDerWaalsContact O-N 3.12Å; M101-F105 HydrophobicContact CE-CD2 4.27Å; M101-F105 HydrophobicContact CE-CE2 3.66Å; M101-F105 VanDerWaalsContact O-CD2 3.29Å; M101-F105 WeakPolarHBondContact O-CD2 3.33Å; M101-F105 PolarHBondContact O-N 3.49Å; M101-V128 HydrophobicContact CG-CG2 4.16Å; M101-V128 HydrophobicContact SD-CG2 4.47Å
102	V	98.6	Very high	98.2	Very high	59 Å²	59	51.8 Å²	51.8	36%	0.358	27%	0.274	S	S	.	.	H	α-helix	trans	-54.4	-49	177.1	174	0	0	0	0	110.2	W40 I98 I99 V104 F105 D106	W40-V102 HydrophobicContact CH2-CG1 4.46Å; W40-V102 HydrophobicContact CZ2-CG1 3.92Å; I98-V102 HydrophobicContact CG2-CG2 4.49Å; I98-V102 WeakPolarHBondContact O-CG2 3.05Å; I98-V102 PolarHBondContact O-N 2.92Å; I99-V102 PolarHBondContact O-N 2.88Å; V102-V104 VanDerWaalsContact C-N 3.28Å; V102-V104 PolarHBondContact O-N 3.3Å; V102-F105 PolarHBondContact O-N 3.17Å; V102-F105 VanDerWaalsContact O-N 3.1Å; V102-D106 WeakPolarHBondContact CG1-OD2 3.32Å; V102-D106 WeakPolarHBondContact O-CB 3.24Å; V102-D106 PolarHBondContact O-N 2.89Å
103	A	98.4	Very high	98.1	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-55.2	-37.9	178.2	0	0	0	0	0	113.9	W40 E46 W49 I99 M101 F107	W40-A103 HydrophobicContact CH2-CB 3.95Å; W40-A103 HydrophobicContact CZ3-CB 4.11Å; E46-A103 HydrophobicContact CG-CB 4.1Å; W49-A103 HydrophobicContact CB-CB 4.16Å; I99-A103 PolarHBondContact O-N 3.21Å; M101-A103 VanDerWaalsContact C-N 3.3Å; M101-A103 PolarHBondContact O-N 3.26Å; A103-F107 VanDerWaalsContact O-CB 3.24Å; A103-F107 WeakPolarHBondContact O-CB 3.48Å; A103-F107 PolarHBondContact O-N 3.41Å; A103-F107 VanDerWaalsContact O-N 3.09Å
104	V	97.9	Very high	98	Very high	17 Å²	17	55.9 Å²	55.9	10%	0.103	30%	0.297	C	S	.	.	H	α-helix	trans	-74.9	-42	177.3	177.8	0	0	0	0	111.6	F47 H50 M101 V102 H108	F47-V104 HydrophobicContact CD2-CG1 4.46Å; F47-V104 HydrophobicContact CD2-CG2 4.01Å; F47-V104 HydrophobicContact CE2-CG1 4.31Å; F47-V104 HydrophobicContact CE2-CG2 3.97Å; H50-V104 HydrophobicContact CB-CG2 3.43Å; H50-V104 VanDerWaalsContact CB-CG2 3.43Å; H50-V104 VanDerWaalsContact ND1-CG2 3.28Å; H50-V104 WeakPolarHBondContact ND1-CG2 3.37Å; M101-V104 PolarHBondContact O-N 3.36Å; M101-V104 VanDerWaalsContact O-N 3.12Å; V102-V104 VanDerWaalsContact C-N 3.28Å; V102-V104 PolarHBondContact O-N 3.3Å; V104-H108 WeakPolarHBondContact O-CB 3.47Å; V104-H108 VanDerWaalsContact O-CG 3.3Å; V104-H108 PolarHBondContact O-N 3.5Å
105	F	98.3	Very high	97.9	Very high	63 Å²	63	56 Å²	56	28%	0.276	30%	0.3	S	S	.	.	H	α-helix	trans	-64.3	-43.5	178.2	-85.7	-77.6	0	0	0	111.2	M101 V102 H108 N109 N115 M116	M101-F105 HydrophobicContact CE-CD2 4.27Å; M101-F105 HydrophobicContact CE-CE2 3.66Å; M101-F105 VanDerWaalsContact O-CD2 3.29Å; M101-F105 WeakPolarHBondContact O-CD2 3.33Å; M101-F105 PolarHBondContact O-N 3.49Å; V102-F105 PolarHBondContact O-N 3.17Å; V102-F105 VanDerWaalsContact O-N 3.1Å; F105-H108 PolarHBondContact O-N 2.85Å; F105-N109 VanDerWaalsContact O-CB 3.24Å; F105-N109 WeakPolarHBondContact O-CB 3.27Å; F105-N109 PolarHBondContact O-N 3.45Å; F105-N109 PolarHBondContact O-ND2 2.98Å; F105-N109 VanDerWaalsContact O-ND2 3.09Å; F105-N109 PolarHBondContact O-OD1 3.37Å; F105-N115 HydrophobicContact CD1-CB 4.16Å; F105-N115 HydrophobicContact CE1-CB 3.78Å; F105-M116 HydrophobicContact CE1-CG 4.36Å; F105-M116 HydrophobicContact CZ-CG 4.13Å; F105-M116 HydrophobicContact CZ-SD 3.86Å
106	D	98.2	Very high	97.9	Very high	60 Å²	60	54.7 Å²	54.7	32%	0.321	29%	0.293	S	S	.	.	H	α-helix	trans	-65.5	-44.3	178.4	-75.8	-5.2	0	0	0	111.1	E46 V102 N109 S110	E46-D106 WeakPolarHBondContact OE1-CB 3.5Å; V102-D106 WeakPolarHBondContact CG1-OD2 3.32Å; V102-D106 WeakPolarHBondContact O-CB 3.24Å; V102-D106 PolarHBondContact O-N 2.89Å; D106-N109 PolarHBondContact O-N 3.44Å; D106-S110 VanDerWaalsContact O-CB 3.27Å; D106-S110 WeakPolarHBondContact O-CB 3.35Å; D106-S110 PolarHBondContact O-N 3.38Å; D106-S110 PolarHBondContact O-OG 3.46Å
107	F	97.7	Very high	97.8	Very high	23 Å²	23	58.3 Å²	58.3	10%	0.101	31%	0.306	C	S	.	.	H	α-helix	trans	-58.1	-51.6	171.4	167	-111.2	0	0	0	112.4	G42 G43 L44 F47 A103 N109 S110 A111 I113	G42-F107 WeakPolarHBondContact O-CA 3.33Å; G43-F107 VanDerWaalsContact C-CD2 3.43Å; G43-F107 WeakPolarHBondContact O-CD2 3.41Å; L44-F107 HydrophobicContact CD2-CE2 3.86Å; L44-F107 HydrophobicContact CD2-CZ 3.68Å; L44-F107 HydrophobicContact CG-CE2 4.12Å; L44-F107 HydrophobicContact CG-CZ 4.43Å; F47-F107 HydrophobicContact CB-CB 4.19Å; F47-F107 HydrophobicContact CB-CD1 3.89Å; F47-F107 HydrophobicContact CB-CD2 4.3Å; F47-F107 HydrophobicContact CB-CE1 4.37Å; F47-F107 HydrophobicContact CB-CG 3.85Å; F47-F107 AromaticContact CD2-CD1 3.62Å; F47-F107 HydrophobicContact CD2-CD1 3.62Å; F47-F107 HydrophobicContact CD2-CE1 4.01Å; F47-F107 HydrophobicContact CD2-CG 4.37Å; F47-F107 HydrophobicContact CG-CD1 4.09Å; F47-F107 HydrophobicContact CG-CE1 4.37Å; A103-F107 VanDerWaalsContact O-CB 3.24Å; A103-F107 WeakPolarHBondContact O-CB 3.48Å; A103-F107 PolarHBondContact O-N 3.41Å; A103-F107 VanDerWaalsContact O-N 3.09Å; F107-N109 VanDerWaalsContact C-N 3.35Å; F107-N109 PolarHBondContact O-N 2.94Å; F107-S110 PolarHBondContact O-N 3.08Å; F107-A111 HydrophobicContact CE2-CB 4.18Å; F107-A111 HydrophobicContact CZ-CB 4.41Å; F107-A111 VanDerWaalsContact O-CB 3.24Å; F107-A111 WeakPolarHBondContact O-CB 3.28Å; F107-A111 PolarHBondContact O-N 3.42Å; F107-I113 HydrophobicContact CE1-CD1 3.88Å; F107-I113 HydrophobicContact CZ-CD1 3.98Å
108	H	97.7	Very high	97.8	Very high	30 Å²	30	59 Å²	59	14%	0.139	31%	0.31	C	S	.	.	H	α-helix	trans	-62.9	-41.5	-179	-77.8	174.7	0	0	0	112.2	V104 F105 A111 K112 I113 N115	V104-H108 WeakPolarHBondContact O-CB 3.47Å; V104-H108 VanDerWaalsContact O-CG 3.3Å; V104-H108 PolarHBondContact O-N 3.5Å; F105-H108 PolarHBondContact O-N 2.85Å; H108-A111 CarbonylContact O-C 3.58Å; H108-A111 PolarHBondContact O-N 2.88Å; H108-K112 CarbonylContact O-C 3.55Å; H108-K112 WeakPolarHBondContact O-CA 3.48Å; H108-K112 PolarHBondContact O-N 2.95Å; H108-I113 HydrophobicContact CB-CB 4.18Å; H108-I113 PolarHBondContact O-N 3.12Å; H108-N115 WeakPolarHBondContact CB-OD1 3.48Å; H108-N115 PolarHBondContact ND1-OD1 3.29Å
109	N	98.2	Very high	97.8	Very high	96 Å²	96	60.6 Å²	60.6	51%	0.513	32%	0.319	S	S	.	.	H	α-helix	trans	-64.6	-43.9	178.5	-68.6	-19.5	0	0	0	111	F105 D106 F107 K112 N115	F105-N109 VanDerWaalsContact O-CB 3.24Å; F105-N109 WeakPolarHBondContact O-CB 3.27Å; F105-N109 PolarHBondContact O-N 3.45Å; F105-N109 PolarHBondContact O-ND2 2.98Å; F105-N109 VanDerWaalsContact O-ND2 3.09Å; F105-N109 PolarHBondContact O-OD1 3.37Å; D106-N109 PolarHBondContact O-N 3.44Å; F107-N109 VanDerWaalsContact C-N 3.35Å; F107-N109 PolarHBondContact O-N 2.94Å; N109-K112 PolarHBondContact O-N 3.07Å; N109-N115 PolarHBondContact OD1-ND2 3.16Å
110	S	97.4	Very high	97.7	Very high	80 Å²	80	58.8 Å²	58.8	56%	0.559	31%	0.309	S	S	*	.	H	α-helix	trans	-64.2	-43	177	-61.5	0	0	0	0	111.9	G42 D106 F107 K112	G42-S110 WeakPolarHBondContact O-CB 3.33Å; D106-S110 VanDerWaalsContact O-CB 3.27Å; D106-S110 WeakPolarHBondContact O-CB 3.35Å; D106-S110 PolarHBondContact O-N 3.38Å; D106-S110 PolarHBondContact O-OG 3.46Å; F107-S110 PolarHBondContact O-N 3.08Å; S110-K112 VanDerWaalsContact C-N 3.3Å; S110-K112 PolarHBondContact O-N 2.93Å
111	A	96.1	Very high	97.7	Very high	50 Å²	50	59.7 Å²	59.7	41%	0.413	32%	0.316	S	S	.	.	H	α-helix	trans	-82	-1.4	178.8	0	0	0	0	0	114.3	F107 H108 I113	F107-A111 HydrophobicContact CE2-CB 4.18Å; F107-A111 HydrophobicContact CZ-CB 4.41Å; F107-A111 VanDerWaalsContact O-CB 3.24Å; F107-A111 WeakPolarHBondContact O-CB 3.28Å; F107-A111 PolarHBondContact O-N 3.42Å; H108-A111 CarbonylContact O-C 3.58Å; H108-A111 PolarHBondContact O-N 2.88Å; A111-I113 HydrophobicContact CB-CD1 3.75Å; A111-I113 HydrophobicContact CB-CG1 3.88Å; A111-I113 PolarHBondContact O-N 3.36Å
112	K	97.6	Very high	97.7	Very high	192 Å²	192	66 Å²	66	84%	0.835	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	36.2	-175.5	-53.7	178.3	-176.5	175.7	0	113.6	H108 N109 S110	H108-K112 CarbonylContact O-C 3.55Å; H108-K112 WeakPolarHBondContact O-CA 3.48Å; H108-K112 PolarHBondContact O-N 2.95Å; N109-K112 PolarHBondContact O-N 3.07Å; S110-K112 VanDerWaalsContact C-N 3.3Å; S110-K112 PolarHBondContact O-N 2.93Å
113	I	95.6	Very high	97.7	Very high	56 Å²	56	66 Å²	66	29%	0.287	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-89.3	134.2	174.6	-60.6	171.4	0	0	0	108.1	F107 H108 A111 N115	F107-I113 HydrophobicContact CE1-CD1 3.88Å; F107-I113 HydrophobicContact CZ-CD1 3.98Å; H108-I113 HydrophobicContact CB-CB 4.18Å; H108-I113 PolarHBondContact O-N 3.12Å; A111-I113 HydrophobicContact CB-CD1 3.75Å; A111-I113 HydrophobicContact CB-CG1 3.88Å; A111-I113 PolarHBondContact O-N 3.36Å; I113-N115 PolarHBondContact O-N 3.48Å
114	P	97.1	Very high	97.7	Very high	87 Å²	87	66.6 Å²	66.6	57%	0.565	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-62.9	137.5	176.4	25.6	-33.6	0	0	0	111.1	Y117	P114-Y117 HydrophobicContact CB-CD1 4.36Å; P114-Y117 HydrophobicContact CG-CD1 4.04Å; P114-Y117 HydrophobicContact CG-CE1 4.23Å; P114-Y117 WeakPolarHBondContact O-CD1 3.43Å; P114-Y117 VanDerWaalsContact O-CE1 3.28Å; P114-Y117 WeakPolarHBondContact O-CE1 3.26Å
115	N	97.8	Very high	97.8	Very high	49 Å²	49	68.6 Å²	68.6	26%	0.262	35%	0.351	S	S	.	.	S	Bend	trans	-85.6	158	174.5	-74.4	-58.6	0	0	0	111.7	F105 H108 N109 I113 Y117	F105-N115 HydrophobicContact CD1-CB 4.16Å; F105-N115 HydrophobicContact CE1-CB 3.78Å; H108-N115 WeakPolarHBondContact CB-OD1 3.48Å; H108-N115 PolarHBondContact ND1-OD1 3.29Å; N109-N115 PolarHBondContact OD1-ND2 3.16Å; I113-N115 PolarHBondContact O-N 3.48Å; N115-Y117 PolarHBondContact O-N 3.33Å
116	M	97.3	Very high	97.8	Very high	54 Å²	54	70 Å²	70	27%	0.266	36%	0.36	S	S	.	.	S	Bend	trans	58.4	35.5	166.1	-57	-55.1	-55.9	0	0	115.9	F105 S121 W122 L125	F105-M116 HydrophobicContact CE1-CG 4.36Å; F105-M116 HydrophobicContact CZ-CG 4.13Å; F105-M116 HydrophobicContact CZ-SD 3.86Å; M116-S121 WeakPolarHBondContact CA-OG 3.28Å; M116-S121 VanDerWaalsContact CE-O 3.28Å; M116-S121 WeakPolarHBondContact CE-O 3.48Å; M116-W122 PolarHBondContact O-NE1 2.87Å; M116-L125 HydrophobicContact CE-CB 3.67Å; M116-L125 HydrophobicContact CE-CD2 3.5Å; M116-L125 HydrophobicContact CE-CG 4.23Å; M116-L125 HydrophobicContact SD-CB 4.49Å; M116-L125 HydrophobicContact SD-CD2 4.18Å
117	Y	96.9	Very high	97.8	Very high	134 Å²	134	67.3 Å²	67.3	53%	0.525	35%	0.346	S	S	.	.			trans	-102.8	-20.1	176.9	72.3	-89.9	0	0	0	114.2	P114 N115	P114-Y117 HydrophobicContact CB-CD1 4.36Å; P114-Y117 HydrophobicContact CG-CD1 4.04Å; P114-Y117 HydrophobicContact CG-CE1 4.23Å; P114-Y117 WeakPolarHBondContact O-CD1 3.43Å; P114-Y117 VanDerWaalsContact O-CE1 3.28Å; P114-Y117 WeakPolarHBondContact O-CE1 3.26Å; N115-Y117 PolarHBondContact O-N 3.33Å
118	S	98.1	Very high	97.8	Very high	17 Å²	17	67 Å²	67	12%	0.119	35%	0.346	C	S	.	.	S	Bend	trans	-91.5	152.5	-177.6	80.3	0	0	0	0	112.2	H120 S121 W122 E180	S118-H120 PolarHBondContact O-N 3.47Å; S118-S121 PolarHBondContact N-OG 3.02Å; S118-S121 PolarHBondContact O-N 2.96Å; S118-S121 VanDerWaalsContact O-N 3.07Å; S118-S121 PolarHBondContact O-OG 3.26Å; S118-S121 PolarHBondContact OG-N 3.18Å; S118-S121 VanDerWaalsContact OG-N 3.16Å; S118-W122 PolarHBondContact O-N 3.48Å; S118-W122 VanDerWaalsContact O-N 3.09Å; S118-E180 WeakPolarHBondContact CB-OE1 3.37Å; S118-E180 PolarHBondContact OG-OE1 2.99Å; S118-E180 PolarHBondContact OG-OE2 3.38Å
119	L	98.4	Very high	97.9	Very high	107 Å²	107	70.6 Å²	70.6	56%	0.56	37%	0.365	S	S	*	.	H	α-helix	trans	-63.1	-33.6	175.4	-173.3	64.5	0	0	0	111.6	S121 W122 L123 M176	L119-S121 VanDerWaalsContact C-N 3.31Å; L119-S121 PolarHBondContact O-N 3.42Å; L119-W122 PolarHBondContact O-N 3.16Å; L119-L123 HydrophobicContact CD1-CD1 4.25Å; L119-L123 HydrophobicContact CD1-CG 4.15Å; L119-L123 HydrophobicContact CD2-CD1 4.46Å; L119-L123 HydrophobicContact CG-CD1 3.99Å; L119-L123 HydrophobicContact CG-CG 4.28Å; L119-L123 WeakPolarHBondContact O-CB 3.31Å; L119-L123 WeakPolarHBondContact O-CG 3.34Å; L119-L123 PolarHBondContact O-N 3.38Å; L119-M176 HydrophobicContact CB-CE 3.82Å; L119-M176 HydrophobicContact CD2-CE 3.82Å; L119-M176 HydrophobicContact CG-CE 3.68Å
120	H	98.4	Very high	97.9	Very high	28 Å²	28	69.3 Å²	69.3	13%	0.13	36%	0.358	C	S	.	.	H	α-helix	trans	-54.9	-47.7	170.9	166	69.9	0	0	0	110.8	H50 S118 G124 V173 M176 G177 E180	H50-H120 AromaticContact NE2-NE2 3.86Å; S118-H120 PolarHBondContact O-N 3.47Å; H120-G124 WeakPolarHBondContact O-CA 3.37Å; H120-G124 PolarHBondContact O-N 3.18Å; H120-V173 PolarHBondContact CE1-O 2.95Å; H120-V173 WeakPolarHBondContact ND1-CG1 3.24Å; H120-V173 PolarHBondContact ND1-O 2.92Å; H120-M176 HydrophobicContact CB-CB 4.08Å; H120-M176 HydrophobicContact CB-CE 4.31Å; H120-G177 VanDerWaalsContact CE1-CA 3.49Å; H120-G177 WeakPolarHBondContact CE1-CA 3.45Å; H120-G177 WeakPolarHBondContact ND1-CA 3.33Å; H120-G177 PolarHBondContact ND1-N 2.87Å; H120-E180 VanDerWaalsContact CB-OE1 3.26Å; H120-E180 WeakPolarHBondContact CB-OE1 3.26Å; H120-E180 WeakPolarHBondContact CB-OE2 3.33Å; H120-E180 IonicContact CD2-OE2 3.73Å; H120-E180 IonicContact CG-OE2 2.78Å
121	S	98.2	Very high	98	Very high	19 Å²	19	65.8 Å²	65.8	13%	0.133	33%	0.332	C	S	.	.	H	α-helix	trans	-66.3	-40.6	179.8	70.1	0	0	0	0	113.1	M116 S118 L119 G124 L125	M116-S121 WeakPolarHBondContact CA-OG 3.28Å; M116-S121 VanDerWaalsContact CE-O 3.28Å; M116-S121 WeakPolarHBondContact CE-O 3.48Å; S118-S121 PolarHBondContact N-OG 3.02Å; S118-S121 PolarHBondContact O-N 2.96Å; S118-S121 VanDerWaalsContact O-N 3.07Å; S118-S121 PolarHBondContact O-OG 3.26Å; S118-S121 PolarHBondContact OG-N 3.18Å; S118-S121 VanDerWaalsContact OG-N 3.16Å; L119-S121 VanDerWaalsContact C-N 3.31Å; L119-S121 PolarHBondContact O-N 3.42Å; S121-G124 PolarHBondContact O-N 3.5Å; S121-L125 WeakPolarHBondContact O-CB 3.27Å; S121-L125 PolarHBondContact O-N 3.31Å
122	W	98.7	Very high	98.1	Very high	164 Å²	164	64 Å²	64	62%	0.621	32%	0.319	S	S	*	.	H	α-helix	trans	-64.1	-50	178.6	-74.9	28	0	0	0	111.7	M116 S118 L119 M126	M116-W122 PolarHBondContact O-NE1 2.87Å; S118-W122 PolarHBondContact O-N 3.48Å; S118-W122 VanDerWaalsContact O-N 3.09Å; L119-W122 PolarHBondContact O-N 3.16Å; W122-M126 WeakPolarHBondContact O-CB 3.47Å; W122-M126 PolarHBondContact O-N 3.24Å
123	L	98.6	Very high	98.1	Very high	60 Å²	60	59.3 Å²	59.3	31%	0.314	30%	0.302	S	S	.	.	H	α-helix	trans	-69.2	-35.3	178.7	-66.5	178.9	0	0	0	111.8	L119 M126 A127 V173 M176	L119-L123 HydrophobicContact CD1-CD1 4.25Å; L119-L123 HydrophobicContact CD1-CG 4.15Å; L119-L123 HydrophobicContact CD2-CD1 4.46Å; L119-L123 HydrophobicContact CG-CD1 3.99Å; L119-L123 HydrophobicContact CG-CG 4.28Å; L119-L123 WeakPolarHBondContact O-CB 3.31Å; L119-L123 WeakPolarHBondContact O-CG 3.34Å; L119-L123 PolarHBondContact O-N 3.38Å; L123-M126 HydrophobicContact CD2-CE 3.7Å; L123-M126 PolarHBondContact O-N 2.79Å; L123-A127 WeakPolarHBondContact O-CB 3.35Å; L123-A127 PolarHBondContact O-N 3.4Å; L123-V173 HydrophobicContact CB-CG2 3.56Å; L123-M176 HydrophobicContact CD1-CE 4.18Å; L123-M176 HydrophobicContact CD1-SD 4.04Å
124	G	98.4	Very high	98.3	Very high	12 Å²	12	58.1 Å²	58.1	12%	0.124	30%	0.296	C	S	.	.	H	α-helix	trans	-63.4	-48.5	175.3	0	0	0	0	0	112.7	H120 S121 M126 A127 V128	H120-G124 WeakPolarHBondContact O-CA 3.37Å; H120-G124 PolarHBondContact O-N 3.18Å; S121-G124 PolarHBondContact O-N 3.5Å; G124-M126 PolarHBondContact O-N 2.86Å; G124-A127 WeakPolarHBondContact O-CB 3.49Å; G124-A127 PolarHBondContact O-N 2.77Å; G124-V128 WeakPolarHBondContact O-CG2 3.38Å; G124-V128 PolarHBondContact O-N 2.89Å
125	L	98.5	Very high	98.3	Very high	60 Å²	60	55.2 Å²	55.2	31%	0.314	28%	0.275	S	S	.	.	H	α-helix	trans	-64.1	-41.6	176.4	-177.5	63	0	0	0	111.5	M116 S121 A127 V128 I129	M116-L125 HydrophobicContact CE-CB 3.67Å; M116-L125 HydrophobicContact CE-CD2 3.5Å; M116-L125 HydrophobicContact CE-CG 4.23Å; M116-L125 HydrophobicContact SD-CB 4.49Å; M116-L125 HydrophobicContact SD-CD2 4.18Å; S121-L125 WeakPolarHBondContact O-CB 3.27Å; S121-L125 PolarHBondContact O-N 3.31Å; L125-A127 VanDerWaalsContact C-N 3.31Å; L125-A127 PolarHBondContact O-N 3.07Å; L125-V128 PolarHBondContact O-N 3Å; L125-I129 HydrophobicContact CD1-CD1 4.22Å; L125-I129 HydrophobicContact CD1-CG1 4.4Å; L125-I129 HydrophobicContact CG-CD1 3.93Å; L125-I129 WeakPolarHBondContact O-CG1 3.48Å; L125-I129 PolarHBondContact O-N 2.85Å
126	M	98.4	Very high	98.3	Very high	91 Å²	91	57.8 Å²	57.8	45%	0.448	29%	0.293	S	S	.	.	H	α-helix	trans	-58.2	-44.8	173.6	-176.3	-178	69.9	0	0	111.2	W122 L123 G124 I129 L130	W122-M126 WeakPolarHBondContact O-CB 3.47Å; W122-M126 PolarHBondContact O-N 3.24Å; L123-M126 HydrophobicContact CD2-CE 3.7Å; L123-M126 PolarHBondContact O-N 2.79Å; G124-M126 PolarHBondContact O-N 2.86Å; M126-I129 PolarHBondContact O-N 2.82Å; M126-L130 HydrophobicContact CG-CD1 3.76Å; M126-L130 HydrophobicContact CG-CG 4.25Å; M126-L130 WeakPolarHBondContact O-CB 3.27Å; M126-L130 VanDerWaalsContact O-CG 3.27Å; M126-L130 WeakPolarHBondContact O-CG 3.43Å; M126-L130 PolarHBondContact O-N 3.07Å; M126-L130 HydrophobicContact SD-CD1 4.39Å
127	A	98.5	Very high	98.3	Very high	5 Å²	5	59.3 Å²	59.3	4%	0.041	30%	0.301	C	S	.	.	H	α-helix	trans	-61.7	-43.8	177.1	0	0	0	0	0	112	L123 G124 L125 Y131 I170	L123-A127 WeakPolarHBondContact O-CB 3.35Å; L123-A127 PolarHBondContact O-N 3.4Å; G124-A127 WeakPolarHBondContact O-CB 3.49Å; G124-A127 PolarHBondContact O-N 2.77Å; L125-A127 VanDerWaalsContact C-N 3.31Å; L125-A127 PolarHBondContact O-N 3.07Å; A127-Y131 WeakPolarHBondContact O-CB 3.45Å; A127-Y131 PolarHBondContact O-N 3.23Å; A127-I170 HydrophobicContact CB-CG1 3.94Å
128	V	98.6	Very high	98.3	Very high	15 Å²	15	53.5 Å²	53.5	9%	0.091	28%	0.282	C	S	.	.	H	α-helix	trans	-60.7	-47.2	176.4	172.4	0	0	0	0	111.3	F58 F94 I98 M101 G124 L125 Y131 G132	F58-V128 HydrophobicContact CE2-CG2 3.78Å; F58-V128 HydrophobicContact CZ-CG2 4.18Å; F94-V128 HydrophobicContact CE2-CG1 4.05Å; I98-V128 HydrophobicContact CD1-CG1 3.89Å; M101-V128 HydrophobicContact CG-CG2 4.16Å; M101-V128 HydrophobicContact SD-CG2 4.47Å; G124-V128 WeakPolarHBondContact O-CG2 3.38Å; G124-V128 PolarHBondContact O-N 2.89Å; L125-V128 PolarHBondContact O-N 3Å; V128-Y131 PolarHBondContact O-N 3.43Å; V128-G132 PolarHBondContact O-N 3.27Å
129	I	98.7	Very high	98.2	Very high	107 Å²	107	55.1 Å²	55.1	55%	0.549	29%	0.291	S	S	.	.	H	α-helix	trans	-63.2	-49.8	179.6	-67.5	167.2	0	0	0	110.8	L125 M126 Y131 G132 L133	L125-I129 HydrophobicContact CD1-CD1 4.22Å; L125-I129 HydrophobicContact CD1-CG1 4.4Å; L125-I129 HydrophobicContact CG-CD1 3.93Å; L125-I129 WeakPolarHBondContact O-CG1 3.48Å; L125-I129 PolarHBondContact O-N 2.85Å; M126-I129 PolarHBondContact O-N 2.82Å; I129-Y131 VanDerWaalsContact C-N 3.31Å; I129-Y131 PolarHBondContact O-N 2.87Å; I129-G132 PolarHBondContact O-N 2.92Å; I129-L133 PolarHBondContact O-N 2.87Å
130	L	98.7	Very high	98.1	Very high	68 Å²	68	51.2 Å²	51.2	36%	0.356	28%	0.277	S	S	.	.	H	α-helix	trans	-65.7	-34.9	-179.5	-69.8	177.1	0	0	0	112.1	M126 L133 Q134 L166	M126-L130 HydrophobicContact CG-CD1 3.76Å; M126-L130 HydrophobicContact CG-CG 4.25Å; M126-L130 WeakPolarHBondContact O-CB 3.27Å; M126-L130 VanDerWaalsContact O-CG 3.27Å; M126-L130 WeakPolarHBondContact O-CG 3.43Å; M126-L130 PolarHBondContact O-N 3.07Å; M126-L130 HydrophobicContact SD-CD1 4.39Å; L130-L133 PolarHBondContact O-N 2.97Å; L130-Q134 VanDerWaalsContact O-CB 3.28Å; L130-Q134 WeakPolarHBondContact O-CB 3.43Å; L130-Q134 PolarHBondContact O-N 2.98Å; L130-L166 HydrophobicContact CB-CD1 4.33Å; L130-L166 HydrophobicContact CB-CD2 3.65Å; L130-L166 HydrophobicContact CD1-CD2 4.23Å
131	Y	98.8	Very high	97.9	Very high	6 Å²	6	51.5 Å²	51.5	2%	0.024	28%	0.279	C	S	.	.	H	α-helix	trans	-66.2	-43.4	173.7	-170	-80	0	0	0	111.7	F58 Q62 N90 F94 A127 V128 I129 L133 Q134 L135 I170	F58-Y131 AromaticContact CE1-CD1 3.86Å; F58-Y131 HydrophobicContact CE1-CD1 3.86Å; F58-Y131 HydrophobicContact CE1-CD2 4.29Å; F58-Y131 AromaticContact CE1-CE1 3.96Å; F58-Y131 HydrophobicContact CE1-CE1 3.96Å; F58-Y131 HydrophobicContact CE1-CE2 4.4Å; F58-Y131 AromaticContact CE1-CG 4Å; F58-Y131 HydrophobicContact CE1-CG 4Å; F58-Y131 HydrophobicContact CZ-CD1 4.06Å; F58-Y131 HydrophobicContact CZ-CD2 4.39Å; F58-Y131 AromaticContact CZ-CG 3.91Å; F58-Y131 HydrophobicContact CZ-CG 3.91Å; Q62-Y131 HydrophobicContact CG-CE2 3.83Å; N90-Y131 VanDerWaalsContact CA-OH 3.3Å; N90-Y131 WeakPolarHBondContact CA-OH 3.39Å; N90-Y131 WeakPolarHBondContact CB-OH 3.35Å; N90-Y131 WeakPolarHBondContact O-CE1 3.38Å; N90-Y131 PolarHBondContact O-OH 3.35Å; N90-Y131 VanDerWaalsContact O-OH 3.11Å; N90-Y131 PolarHBondContact OD1-OH 3.21Å; F94-Y131 HydrophobicContact CB-CD1 4.22Å; F94-Y131 HydrophobicContact CB-CE1 3.89Å; F94-Y131 AromaticContact CD2-CD1 3.6Å; F94-Y131 HydrophobicContact CD2-CD1 3.6Å; F94-Y131 HydrophobicContact CD2-CE1 4.16Å; F94-Y131 HydrophobicContact CE2-CD1 4.39Å; F94-Y131 HydrophobicContact CG-CD1 4.25Å; F94-Y131 HydrophobicContact CG-CE1 4.41Å; A127-Y131 WeakPolarHBondContact O-CB 3.45Å; A127-Y131 PolarHBondContact O-N 3.23Å; V128-Y131 PolarHBondContact O-N 3.43Å; I129-Y131 VanDerWaalsContact C-N 3.31Å; I129-Y131 PolarHBondContact O-N 2.87Å; Y131-L133 VanDerWaalsContact C-N 3.33Å; Y131-L133 PolarHBondContact O-N 3.28Å; Y131-Q134 WeakPolarHBondContact O-CB 3.25Å; Y131-Q134 PolarHBondContact O-N 3.4Å; Y131-L135 WeakPolarHBondContact O-CB 3.46Å; Y131-L135 PolarHBondContact O-N 3.27Å; Y131-I170 HydrophobicContact CD2-CD1 4.23Å
132	G	98.6	Very high	97.7	Very high	13 Å²	13	51.7 Å²	51.7	13%	0.134	28%	0.277	C	S	.	.	H	α-helix	trans	-59.1	-44.2	173.2	0	0	0	0	0	112	V128 I129 L135 V136	V128-G132 PolarHBondContact O-N 3.27Å; I129-G132 PolarHBondContact O-N 2.92Å; G132-L135 PolarHBondContact O-N 2.86Å; G132-V136 WeakPolarHBondContact O-CG2 3.38Å; G132-V136 PolarHBondContact O-N 3.12Å
133	L	98.5	Very high	97.4	Very high	93 Å²	93	45.8 Å²	45.8	49%	0.487	26%	0.258	S	S	.	.	H	α-helix	trans	-62.1	-46	175.2	-178.7	62.6	0	0	0	111.8	I129 L130 Y131 L135 V136 L137	I129-L133 PolarHBondContact O-N 2.87Å; L130-L133 PolarHBondContact O-N 2.97Å; Y131-L133 VanDerWaalsContact C-N 3.33Å; Y131-L133 PolarHBondContact O-N 3.28Å; L133-L135 VanDerWaalsContact C-N 3.27Å; L133-L135 PolarHBondContact O-N 3.41Å; L133-V136 PolarHBondContact O-N 3.36Å; L133-L137 HydrophobicContact CD1-CD1 3.82Å; L133-L137 HydrophobicContact CD1-CG 3.92Å; L133-L137 HydrophobicContact CD2-CD1 4.44Å; L133-L137 HydrophobicContact CG-CD1 3.78Å; L133-L137 HydrophobicContact CG-CG 4.26Å; L133-L137 WeakPolarHBondContact O-CB 3.34Å; L133-L137 VanDerWaalsContact O-CG 3.26Å; L133-L137 WeakPolarHBondContact O-CG 3.47Å; L133-L137 PolarHBondContact O-N 2.9Å
134	Q	98.3	Very high	97	Very high	31 Å²	31	46.8 Å²	46.8	15%	0.145	26%	0.262	C	S	.	.	H	α-helix	trans	-56.9	-40.8	175.7	179.5	77.1	-10	0	0	111.7	L130 Y131 G138 H159 S162 L166	L130-Q134 VanDerWaalsContact O-CB 3.28Å; L130-Q134 WeakPolarHBondContact O-CB 3.43Å; L130-Q134 PolarHBondContact O-N 2.98Å; Y131-Q134 WeakPolarHBondContact O-CB 3.25Å; Y131-Q134 PolarHBondContact O-N 3.4Å; Q134-G138 WeakPolarHBondContact O-CA 3.46Å; Q134-G138 PolarHBondContact O-N 2.94Å; Q134-H159 PolarHBondContact NE2-CE1 2.77Å; Q134-H159 PolarHBondContact NE2-ND1 3.46Å; Q134-H159 PolarHBondContact NE2-O 3.48Å; Q134-S162 PolarHBondContact NE2-OG 3.47Å; Q134-S162 PolarHBondContact OE1-OG 3.06Å; Q134-L166 HydrophobicContact CB-CD1 4.12Å; Q134-L166 HydrophobicContact CG-CD1 4.37Å
135	L	98.1	Very high	96.4	Very high	27 Å²	27	51.6 Å²	51.6	14%	0.141	29%	0.292	C	S	.	.	H	α-helix	trans	-67.5	-49.8	178.5	-176	62.7	0	0	0	111.6	N90 L91 F94 Y131 G132 L133 G138 V139	N90-L135 HydrophobicContact CB-CD1 3.93Å; L91-L135 HydrophobicContact CB-CD2 4.36Å; L91-L135 HydrophobicContact CD1-CD2 3.96Å; F94-L135 HydrophobicContact CB-CD2 4.14Å; F94-L135 HydrophobicContact CD1-CD2 4.27Å; F94-L135 HydrophobicContact CG-CD2 4.31Å; Y131-L135 WeakPolarHBondContact O-CB 3.46Å; Y131-L135 PolarHBondContact O-N 3.27Å; G132-L135 PolarHBondContact O-N 2.86Å; L133-L135 VanDerWaalsContact C-N 3.27Å; L133-L135 PolarHBondContact O-N 3.41Å; L135-G138 PolarHBondContact O-N 2.93Å; L135-V139 WeakPolarHBondContact O-CG2 3.49Å; L135-V139 PolarHBondContact O-N 3.18Å
136	V	97.9	Very high	95.9	Very high	103 Å²	103	54.6 Å²	54.6	62%	0.624	31%	0.312	S	S	*	.	H	α-helix	trans	-61.4	-48.4	179.1	171.4	0	0	0	0	111	G132 L133 G138 V139 G140	G132-V136 WeakPolarHBondContact O-CG2 3.38Å; G132-V136 PolarHBondContact O-N 3.12Å; L133-V136 PolarHBondContact O-N 3.36Å; V136-G138 VanDerWaalsContact C-N 3.33Å; V136-G138 PolarHBondContact O-N 3.07Å; V136-V139 PolarHBondContact O-N 3.41Å; V136-G140 PolarHBondContact O-N 3.04Å
137	L	96.9	Very high	95.5	Very high	85 Å²	85	51.5 Å²	51.5	45%	0.445	30%	0.299	S	S	.	.	H	α-helix	trans	-63.9	-39.4	176.9	-67.4	177.2	0	0	0	111.5	L133 G140 L141	L133-L137 HydrophobicContact CD1-CD1 3.82Å; L133-L137 HydrophobicContact CD1-CG 3.92Å; L133-L137 HydrophobicContact CD2-CD1 4.44Å; L133-L137 HydrophobicContact CG-CD1 3.78Å; L133-L137 HydrophobicContact CG-CG 4.26Å; L133-L137 WeakPolarHBondContact O-CB 3.34Å; L133-L137 VanDerWaalsContact O-CG 3.26Å; L133-L137 WeakPolarHBondContact O-CG 3.47Å; L133-L137 PolarHBondContact O-N 2.9Å; L137-G140 PolarHBondContact O-N 3.48Å; L137-L141 VanDerWaalsContact O-CB 3.27Å; L137-L141 WeakPolarHBondContact O-CB 3.49Å; L137-L141 VanDerWaalsContact O-CG 3.27Å; L137-L141 WeakPolarHBondContact O-CG 3.43Å; L137-L141 PolarHBondContact O-N 2.99Å
138	G	97	Very high	95.3	Very high	12 Å²	12	54.8 Å²	54.8	12%	0.124	32%	0.319	C	S	.	.	H	α-helix	trans	-61.5	-45.2	177.2	0	0	0	0	0	112.7	Q134 L135 V136 Y142	Q134-G138 WeakPolarHBondContact O-CA 3.46Å; Q134-G138 PolarHBondContact O-N 2.94Å; L135-G138 PolarHBondContact O-N 2.93Å; V136-G138 VanDerWaalsContact C-N 3.33Å; V136-G138 PolarHBondContact O-N 3.07Å; G138-Y142 WeakPolarHBondContact O-CB 3.4Å; G138-Y142 WeakPolarHBondContact O-CD2 3.36Å; G138-Y142 PolarHBondContact O-N 2.85Å
139	V	96	Very high	95	Very high	51 Å²	51	59.5 Å²	59.5	31%	0.309	35%	0.348	S	S	.	.	I	π-helix	trans	-63.9	-50.3	174.9	170.9	0	0	0	0	110.6	L135 V136 L141 L143 I144	L135-V139 WeakPolarHBondContact O-CG2 3.49Å; L135-V139 PolarHBondContact O-N 3.18Å; V136-V139 PolarHBondContact O-N 3.41Å; V139-L141 PolarHBondContact O-N 3.46Å; V139-L143 HydrophobicContact CG1-CB 4.36Å; V139-L143 HydrophobicContact CG1-CD2 4.32Å; V139-L143 WeakPolarHBondContact O-CA 3.42Å; V139-L143 WeakPolarHBondContact O-CB 3.44Å; V139-L143 PolarHBondContact O-N 3.02Å; V139-I144 HydrophobicContact CG1-CD1 4.46Å; V139-I144 HydrophobicContact CG1-CG1 4.42Å; V139-I144 PolarHBondContact O-N 3.12Å; V139-I144 VanDerWaalsContact O-N 3.12Å
140	G	95.6	Very high	94.7	Very high	26 Å²	26	58.3 Å²	58.3	27%	0.268	35%	0.349	S	S	.	.	I	π-helix	trans	-59.6	-47.4	-178	0	0	0	0	0	113.1	V136 L137 T147	V136-G140 PolarHBondContact O-N 3.04Å; L137-G140 PolarHBondContact O-N 3.48Å; G140-T147 PolarHBondContact O-OG1 3.22Å
141	L	94.9	Very high	94.5	Very high	33 Å²	33	62.7 Å²	62.7	17%	0.173	36%	0.361	C	S	.	.	I	π-helix	trans	-78.4	-41.4	-176.9	-65.6	172.3	0	0	0	112.6	L137 V139 T147 R152 C155	L137-L141 VanDerWaalsContact O-CB 3.27Å; L137-L141 WeakPolarHBondContact O-CB 3.49Å; L137-L141 VanDerWaalsContact O-CG 3.27Å; L137-L141 WeakPolarHBondContact O-CG 3.43Å; L137-L141 PolarHBondContact O-N 2.99Å; V139-L141 PolarHBondContact O-N 3.46Å; L141-T147 HydrophobicContact CD2-CG2 3.64Å; L141-R152 WeakPolarHBondContact O-CD 3.3Å; L141-R152 VanDerWaalsContact O-CG 3.29Å; L141-R152 WeakPolarHBondContact O-CG 3.38Å; L141-R152 PolarHBondContact O-NE 3.33Å; L141-C155 HydrophobicContact CD1-CB 3.76Å
142	Y	94.4	Very high	94.3	Very high	24 Å²	24	65.1 Å²	65.1	9%	0.094	37%	0.37	C	S	.	.	I	π-helix	trans	-110.4	-21.9	-165.7	-54.8	-59.8	0	0	0	115.3	K83 G138 R152 C155 M156 H159	K83-Y142 WeakPolarHBondContact CD-O 3.41Å; K83-Y142 VanDerWaalsContact CE-O 3.28Å; K83-Y142 WeakPolarHBondContact CE-O 3.49Å; K83-Y142 PolarHBondContact NZ-O 3.47Å; G138-Y142 WeakPolarHBondContact O-CB 3.4Å; G138-Y142 WeakPolarHBondContact O-CD2 3.36Å; G138-Y142 PolarHBondContact O-N 2.85Å; Y142-R152 HydrophobicContact CD1-CB 4.37Å; Y142-R152 HydrophobicContact CD1-CG 4.3Å; Y142-R152 HydrophobicContact CE1-CB 4.04Å; Y142-R152 HydrophobicContact CE1-CG 4.34Å; Y142-R152 PolarHBondContact OH-O 3.2Å; Y142-C155 WeakPolarHBondContact OH-CB 3.47Å; Y142-C155 PolarHBondContact OH-O 2.95Å; Y142-M156 HydrophobicContact CD1-CE 3.91Å; Y142-M156 HydrophobicContact CE1-CE 3.52Å; Y142-M156 WeakPolarHBondContact OH-CA 3.27Å; Y142-M156 PolarHBondContact OH-N 2.97Å; Y142-H159 HydrophobicContact CE2-CB 3.98Å; Y142-H159 AromaticContact CE2-CD2 3.99Å; Y142-H159 AromaticContact CE2-CG 3.73Å
143	L	92.3	Very high	94	Very high	39 Å²	39	67.5 Å²	67.5	20%	0.204	39%	0.389	C	S	.	.	I	π-helix	trans	-99.6	-41.2	-179.4	-160.5	68.8	0	0	0	111.8	L80 K83 F84 A87 V139	L80-L143 HydrophobicContact CD1-CD1 4.27Å; K83-L143 HydrophobicContact CB-CD1 3.53Å; K83-L143 HydrophobicContact CD-CD1 4.38Å; F84-L143 HydrophobicContact CD1-CD1 4.13Å; F84-L143 HydrophobicContact CD1-CD2 4.08Å; F84-L143 HydrophobicContact CE1-CD1 4.09Å; F84-L143 HydrophobicContact CE1-CD2 3.84Å; F84-L143 HydrophobicContact CE1-CG 4.24Å; F84-L143 HydrophobicContact CG-CD1 4.38Å; F84-L143 HydrophobicContact CZ-CD1 4.32Å; A87-L143 HydrophobicContact CB-CD2 4.46Å; V139-L143 HydrophobicContact CG1-CB 4.36Å; V139-L143 HydrophobicContact CG1-CD2 4.32Å; V139-L143 WeakPolarHBondContact O-CA 3.42Å; V139-L143 WeakPolarHBondContact O-CB 3.44Å; V139-L143 PolarHBondContact O-N 3.02Å
144	I	88.9	Confident	93.8	Very high	81 Å²	81	66.2 Å²	66.2	42%	0.415	39%	0.391	S	S	.	.	S	Bend	trans	-77.1	128.1	178.5	-57.2	180	0	0	0	109.8	V139 V146 R152	V139-I144 HydrophobicContact CG1-CD1 4.46Å; V139-I144 HydrophobicContact CG1-CG1 4.42Å; V139-I144 PolarHBondContact O-N 3.12Å; V139-I144 VanDerWaalsContact O-N 3.12Å; I144-V146 HydrophobicContact CG2-CB 4.06Å; I144-V146 HydrophobicContact CG2-CG2 3.76Å; I144-V146 PolarHBondContact O-N 3.45Å; I144-V146 VanDerWaalsContact O-N 3.07Å; I144-R152 PolarHBondContact O-NH2 3.06Å
145	P	86.3	Confident	93.8	Very high	114 Å²	114	66.1 Å²	66.1	74%	0.74	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-0.7	-173.3	28.2	-34.6	0	0	0	114.9	R152	P145-R152 PolarHBondContact O-NH2 3.27Å
146	V	89.3	Confident	93.7	Very high	122 Å²	122	68.9 Å²	68.9	74%	0.739	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-27.5	-170.9	-178.9	0	0	0	0	114	I144	I144-V146 HydrophobicContact CG2-CB 4.06Å; I144-V146 HydrophobicContact CG2-CG2 3.76Å; I144-V146 PolarHBondContact O-N 3.45Å; I144-V146 VanDerWaalsContact O-N 3.07Å
147	T	89.9	Confident	93.6	Very high	27 Å²	27	68.1 Å²	68.1	17%	0.166	40%	0.404	C	S	.	.	S	Bend	trans	-71.1	135.5	-173.7	-46.9	0	0	0	0	113.1	G140 L141 W151 R152	G140-T147 PolarHBondContact O-OG1 3.22Å; L141-T147 HydrophobicContact CD2-CG2 3.64Å; T147-W151 HydrophobicContact CG2-CB 3.97Å; T147-R152 HydrophobicContact CG2-CG 4.09Å; T147-R152 PolarHBondContact O-NE 3.42Å; T147-R152 PolarHBondContact O-NH1 2.91Å; T147-R152 PolarHBondContact O-NH2 3.11Å
148	P	93	Very high	93.7	Very high	73 Å²	73	69.4 Å²	69.4	47%	0.474	41%	0.41	S	S	.	.			trans	-59.3	148	175	-21.7	31.6	0	0	0	113.3	S150 W151 R152	P148-S150 VanDerWaalsContact C-N 3.31Å; P148-S150 PolarHBondContact O-N 2.91Å; P148-W151 PolarHBondContact O-N 3.35Å; P148-R152 PolarHBondContact O-N 3.33Å
149	V	92.1	Very high	93.7	Very high	114 Å²	114	70.7 Å²	70.7	69%	0.691	41%	0.413	S	S	*	.	H	α-helix	trans	-62.9	-35.8	-177.8	-180	0	0	0	0	112.3	W151 R152 A153	V149-W151 PolarHBondContact O-N 3.33Å; V149-R152 PolarHBondContact O-N 2.96Å; V149-A153 WeakPolarHBondContact O-CB 3.26Å; V149-A153 PolarHBondContact O-N 2.93Å
150	S	93.7	Very high	93.8	Very high	83 Å²	83	71.9 Å²	71.9	58%	0.58	42%	0.42	S	S	*	.	H	α-helix	trans	-59.6	-46.3	177.6	51.6	0	0	0	0	112.3	P148 A153 A154	P148-S150 VanDerWaalsContact C-N 3.31Å; P148-S150 PolarHBondContact O-N 2.91Å; S150-A153 PolarHBondContact O-N 3.29Å; S150-A154 WeakPolarHBondContact O-CB 3.45Å; S150-A154 PolarHBondContact O-N 2.97Å
151	W	94.2	Very high	94	Very high	159 Å²	159	78.2 Å²	78.2	60%	0.602	44%	0.437	S	S	*	.	H	α-helix	trans	-63	-44.7	176	-79.2	97.9	0	0	0	112.1	T147 P148 V149 A153 A154 C155	T147-W151 HydrophobicContact CG2-CB 3.97Å; P148-W151 PolarHBondContact O-N 3.35Å; V149-W151 PolarHBondContact O-N 3.33Å; W151-A153 VanDerWaalsContact C-N 3.28Å; W151-A153 PolarHBondContact O-N 3.15Å; W151-A154 PolarHBondContact O-N 3.18Å; W151-C155 WeakPolarHBondContact O-CB 3.5Å; W151-C155 PolarHBondContact O-N 3.04Å; W151-C155 PolarHBondContact O-SG 2.98Å; W151-C155 VanDerWaalsContact O-SG 3.39Å
152	R	93.8	Very high	94.1	Very high	58 Å²	58	77.7 Å²	77.7	22%	0.219	44%	0.437	C	S	.	.	H	α-helix	trans	-58.2	-42.4	176.1	-68.7	179.1	177.6	144.9	6.3	111.8	L141 Y142 I144 P145 T147 P148 V149 M156	L141-R152 WeakPolarHBondContact O-CD 3.3Å; L141-R152 VanDerWaalsContact O-CG 3.29Å; L141-R152 WeakPolarHBondContact O-CG 3.38Å; L141-R152 PolarHBondContact O-NE 3.33Å; Y142-R152 HydrophobicContact CD1-CB 4.37Å; Y142-R152 HydrophobicContact CD1-CG 4.3Å; Y142-R152 HydrophobicContact CE1-CB 4.04Å; Y142-R152 HydrophobicContact CE1-CG 4.34Å; Y142-R152 PolarHBondContact OH-O 3.2Å; I144-R152 PolarHBondContact O-NH2 3.06Å; P145-R152 PolarHBondContact O-NH2 3.27Å; T147-R152 HydrophobicContact CG2-CG 4.09Å; T147-R152 PolarHBondContact O-NE 3.42Å; T147-R152 PolarHBondContact O-NH1 2.91Å; T147-R152 PolarHBondContact O-NH2 3.11Å; P148-R152 PolarHBondContact O-N 3.33Å; V149-R152 PolarHBondContact O-N 2.96Å; R152-M156 WeakPolarHBondContact O-CB 3.34Å; R152-M156 PolarHBondContact O-N 2.96Å
153	A	93.1	Very high	94.3	Very high	63 Å²	63	77.3 Å²	77.3	52%	0.521	44%	0.44	S	S	.	.	H	α-helix	trans	-67.4	-45.1	178.3	0	0	0	0	0	112.1	V149 S150 W151 M156 P157	V149-A153 WeakPolarHBondContact O-CB 3.26Å; V149-A153 PolarHBondContact O-N 2.93Å; S150-A153 PolarHBondContact O-N 3.29Å; W151-A153 VanDerWaalsContact C-N 3.28Å; W151-A153 PolarHBondContact O-N 3.15Å; A153-M156 PolarHBondContact O-N 3.33Å; A153-P157 WeakPolarHBondContact O-CD 3.26Å
154	A	95.1	Very high	94.6	Very high	66 Å²	66	77.1 Å²	77.1	55%	0.545	44%	0.439	S	S	.	.	H	α-helix	trans	-65.8	-38.4	180	0	0	0	0	0	113.1	S150 W151 P157	S150-A154 WeakPolarHBondContact O-CB 3.45Å; S150-A154 PolarHBondContact O-N 2.97Å; W151-A154 PolarHBondContact O-N 3.18Å; A154-P157 WeakPolarHBondContact O-CD 3.44Å
155	C	96.6	Very high	95.1	Very high	28 Å²	28	78 Å²	78	19%	0.189	44%	0.44	C	S	.	.	H	α-helix	trans	-82.4	-16.3	-179.2	-63.9	0	0	0	0	113.7	L141 Y142 W151 I158 H159	L141-C155 HydrophobicContact CD1-CB 3.76Å; Y142-C155 WeakPolarHBondContact OH-CB 3.47Å; Y142-C155 PolarHBondContact OH-O 2.95Å; W151-C155 WeakPolarHBondContact O-CB 3.5Å; W151-C155 PolarHBondContact O-N 3.04Å; W151-C155 PolarHBondContact O-SG 2.98Å; W151-C155 VanDerWaalsContact O-SG 3.39Å; C155-I158 WeakPolarHBondContact O-CB 3.45Å; C155-I158 PolarHBondContact O-N 2.98Å; C155-H159 PolarHBondContact O-N 2.94Å
156	M	96.4	Very high	95.7	Very high	85 Å²	85	73 Å²	73	42%	0.419	41%	0.407	S	S	.	.	H	α-helix	trans	-60	-45.5	-175.4	-178.3	65	69.8	0	0	113.4	Y142 R152 A153 I158 H159 V160	Y142-M156 HydrophobicContact CD1-CE 3.91Å; Y142-M156 HydrophobicContact CE1-CE 3.52Å; Y142-M156 WeakPolarHBondContact OH-CA 3.27Å; Y142-M156 PolarHBondContact OH-N 2.97Å; R152-M156 WeakPolarHBondContact O-CB 3.34Å; R152-M156 PolarHBondContact O-N 2.96Å; A153-M156 PolarHBondContact O-N 3.33Å; M156-I158 VanDerWaalsContact C-N 3.29Å; M156-I158 PolarHBondContact O-N 3.4Å; M156-H159 PolarHBondContact O-N 2.94Å; M156-V160 WeakPolarHBondContact O-CG2 3.48Å; M156-V160 PolarHBondContact O-N 3.18Å; M156-V160 HydrophobicContact SD-CG2 4.13Å
157	P	96.9	Very high	96.1	Very high	88 Å²	88	67.2 Å²	67.2	57%	0.571	37%	0.372	S	S	*	.	H	α-helix	trans	-60.8	-39.5	176.1	-22.7	34.5	0	0	0	112.3	A153 A154 V160 Y161	A153-P157 WeakPolarHBondContact O-CD 3.26Å; A154-P157 WeakPolarHBondContact O-CD 3.44Å; P157-V160 PolarHBondContact O-N 2.97Å; P157-Y161 WeakPolarHBondContact O-CB 3.36Å; P157-Y161 PolarHBondContact O-N 2.86Å
158	I	98	Very high	96.6	Very high	112 Å²	112	69 Å²	69	57%	0.574	38%	0.383	S	S	*	.	H	α-helix	trans	-64.1	-49.8	178	-58.4	173.6	0	0	0	109.6	C155 M156 V160 Y161 S162	C155-I158 WeakPolarHBondContact O-CB 3.45Å; C155-I158 PolarHBondContact O-N 2.98Å; M156-I158 VanDerWaalsContact C-N 3.29Å; M156-I158 PolarHBondContact O-N 3.4Å; I158-V160 VanDerWaalsContact C-N 3.34Å; I158-V160 PolarHBondContact O-N 3.49Å; I158-Y161 PolarHBondContact O-N 3.25Å; I158-S162 WeakPolarHBondContact O-CB 3.46Å; I158-S162 PolarHBondContact O-N 3.26Å; I158-S162 PolarHBondContact O-OG 3.39Å
159	H	98.1	Very high	96.8	Very high	38 Å²	38	67.1 Å²	67.1	18%	0.176	37%	0.371	C	S	.	.	H	α-helix	trans	-57.8	-44	178.5	178.4	77	0	0	0	112.2	Q134 Y142 C155 M156 S162 G163	Q134-H159 PolarHBondContact NE2-CE1 2.77Å; Q134-H159 PolarHBondContact NE2-ND1 3.46Å; Q134-H159 PolarHBondContact NE2-O 3.48Å; Y142-H159 HydrophobicContact CE2-CB 3.98Å; Y142-H159 AromaticContact CE2-CD2 3.99Å; Y142-H159 AromaticContact CE2-CG 3.73Å; C155-H159 PolarHBondContact O-N 2.94Å; M156-H159 PolarHBondContact O-N 2.94Å; H159-S162 PolarHBondContact O-OG 2.84Å; H159-G163 PolarHBondContact O-N 3.37Å
160	V	98.3	Very high	97.1	Very high	77 Å²	77	62 Å²	62	47%	0.467	34%	0.34	S	S	.	.	H	α-helix	trans	-65.8	-48.5	177.4	173.2	0	0	0	0	110.9	M156 P157 I158 G163 L164	M156-V160 WeakPolarHBondContact O-CG2 3.48Å; M156-V160 PolarHBondContact O-N 3.18Å; M156-V160 HydrophobicContact SD-CG2 4.13Å; P157-V160 PolarHBondContact O-N 2.97Å; I158-V160 VanDerWaalsContact C-N 3.34Å; I158-V160 PolarHBondContact O-N 3.49Å; V160-G163 PolarHBondContact O-N 2.91Å; V160-L164 HydrophobicContact CG1-CD1 4.36Å; V160-L164 WeakPolarHBondContact O-CG 3.46Å; V160-L164 PolarHBondContact O-N 3.31Å
161	Y	98.4	Very high	97.4	Very high	158 Å²	158	58.5 Å²	58.5	62%	0.62	32%	0.315	S	S	*	.	H	α-helix	trans	-60.2	-51.9	179.1	170.6	-97.3	0	0	0	111.8	P157 I158 G163 L164 F165	P157-Y161 WeakPolarHBondContact O-CB 3.36Å; P157-Y161 PolarHBondContact O-N 2.86Å; I158-Y161 PolarHBondContact O-N 3.25Å; Y161-G163 VanDerWaalsContact C-N 3.29Å; Y161-G163 PolarHBondContact O-N 2.92Å; Y161-L164 PolarHBondContact O-N 3.3Å; Y161-F165 HydrophobicContact CE1-CB 4.37Å; Y161-F165 WeakPolarHBondContact O-CB 3.09Å; Y161-F165 PolarHBondContact O-N 3.49Å
162	S	98.4	Very high	97.6	Very high	23 Å²	23	53.3 Å²	53.3	16%	0.161	31%	0.306	C	S	.	.	H	α-helix	trans	-62	-37	-178.5	59.6	0	0	0	0	111.7	Q134 I158 H159 F165 L166	Q134-S162 PolarHBondContact NE2-OG 3.47Å; Q134-S162 PolarHBondContact OE1-OG 3.06Å; I158-S162 WeakPolarHBondContact O-CB 3.46Å; I158-S162 PolarHBondContact O-N 3.26Å; I158-S162 PolarHBondContact O-OG 3.39Å; H159-S162 PolarHBondContact O-OG 2.84Å; S162-F165 PolarHBondContact O-N 3.23Å; S162-L166 VanDerWaalsContact O-CB 3.24Å; S162-L166 WeakPolarHBondContact O-CB 3.46Å; S162-L166 VanDerWaalsContact O-CG 3.23Å; S162-L166 WeakPolarHBondContact O-CG 3.4Å; S162-L166 PolarHBondContact O-N 2.85Å
163	G	98.5	Very high	97.9	Very high	16 Å²	16	51.3 Å²	51.3	17%	0.165	30%	0.3	C	S	.	.	H	α-helix	trans	-62.2	-45.1	176.2	0	0	0	0	0	113.1	H159 V160 Y161 F167	H159-G163 PolarHBondContact O-N 3.37Å; V160-G163 PolarHBondContact O-N 2.91Å; Y161-G163 VanDerWaalsContact C-N 3.29Å; Y161-G163 PolarHBondContact O-N 2.92Å; G163-F167 WeakPolarHBondContact O-CB 3.39Å; G163-F167 PolarHBondContact O-N 2.99Å; G163-F167 VanDerWaalsContact O-N 3.08Å
164	L	98.6	Very high	98.1	Very high	35 Å²	35	48.9 Å²	48.9	18%	0.183	28%	0.28	C	S	.	.	H	α-helix	trans	-71.2	-39.7	177.7	-60.9	178.5	0	0	0	112.1	I66 V160 Y161 F167 T168 L216 A219 T220	I66-L164 HydrophobicContact CG2-CD2 3.72Å; V160-L164 HydrophobicContact CG1-CD1 4.36Å; V160-L164 WeakPolarHBondContact O-CG 3.46Å; V160-L164 PolarHBondContact O-N 3.31Å; Y161-L164 PolarHBondContact O-N 3.3Å; L164-F167 PolarHBondContact O-N 3.11Å; L164-T168 PolarHBondContact O-N 3.44Å; L164-T168 PolarHBondContact O-OG1 2.78Å; L164-L216 HydrophobicContact CB-CD2 4.25Å; L164-L216 HydrophobicContact CD2-CD2 4.05Å; L164-A219 HydrophobicContact CD2-CB 3.77Å; L164-T220 HydrophobicContact CD1-CG2 4.33Å
165	F	98.6	Very high	98.3	Very high	100 Å²	100	48.1 Å²	48.1	44%	0.439	27%	0.266	S	S	.	.	H	α-helix	trans	-62.9	-46.6	176.2	178.3	-100.5	0	0	0	111.4	Y161 S162 T168 S169	Y161-F165 HydrophobicContact CE1-CB 4.37Å; Y161-F165 WeakPolarHBondContact O-CB 3.09Å; Y161-F165 PolarHBondContact O-N 3.49Å; S162-F165 PolarHBondContact O-N 3.23Å; F165-T168 PolarHBondContact O-N 3.41Å; F165-S169 WeakPolarHBondContact O-CB 3.41Å; F165-S169 PolarHBondContact O-N 3.45Å; F165-S169 PolarHBondContact O-OG 3.39Å
166	L	98.6	Very high	98.4	Very high	9 Å²	9	49.2 Å²	49.2	5%	0.047	27%	0.269	C	S	.	.	H	α-helix	trans	-60.7	-47	176.2	-78.4	168.9	0	0	0	111.6	L130 Q134 S162 T168 S169 I170	L130-L166 HydrophobicContact CB-CD1 4.33Å; L130-L166 HydrophobicContact CB-CD2 3.65Å; L130-L166 HydrophobicContact CD1-CD2 4.23Å; Q134-L166 HydrophobicContact CB-CD1 4.12Å; Q134-L166 HydrophobicContact CG-CD1 4.37Å; S162-L166 VanDerWaalsContact O-CB 3.24Å; S162-L166 WeakPolarHBondContact O-CB 3.46Å; S162-L166 VanDerWaalsContact O-CG 3.23Å; S162-L166 WeakPolarHBondContact O-CG 3.4Å; S162-L166 PolarHBondContact O-N 2.85Å; L166-T168 VanDerWaalsContact C-N 3.33Å; L166-T168 PolarHBondContact O-N 3.13Å; L166-S169 PolarHBondContact O-N 3.37Å; L166-I170 WeakPolarHBondContact O-CB 3.42Å; L166-I170 WeakPolarHBondContact O-CD1 3.42Å; L166-I170 VanDerWaalsContact O-CG1 3.24Å; L166-I170 WeakPolarHBondContact O-CG1 3.33Å; L166-I170 PolarHBondContact O-N 2.86Å
167	F	98.8	Very high	98.5	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-57.2	-46.1	177.6	176.4	-115.7	0	0	0	112.5	I59 Q62 I66 G163 L164 S169 I170 I171 F211 I215 L216	I59-F167 HydrophobicContact CG2-CE2 4.49Å; Q62-F167 HydrophobicContact CG-CD2 4.18Å; I66-F167 HydrophobicContact CD1-CB 3.53Å; I66-F167 HydrophobicContact CD1-CD1 4.08Å; I66-F167 HydrophobicContact CD1-CD2 3.96Å; I66-F167 HydrophobicContact CD1-CG 3.58Å; G163-F167 WeakPolarHBondContact O-CB 3.39Å; G163-F167 PolarHBondContact O-N 2.99Å; G163-F167 VanDerWaalsContact O-N 3.08Å; L164-F167 PolarHBondContact O-N 3.11Å; F167-S169 VanDerWaalsContact C-N 3.35Å; F167-S169 PolarHBondContact O-N 2.94Å; F167-I170 PolarHBondContact O-N 3.48Å; F167-I171 HydrophobicContact CD1-CD1 4.44Å; F167-I171 HydrophobicContact CE1-CD1 3.91Å; F167-I171 HydrophobicContact CE2-CD1 4.1Å; F167-I171 HydrophobicContact CZ-CD1 3.73Å; F167-I171 WeakPolarHBondContact O-CG1 3.23Å; F167-I171 PolarHBondContact O-N 3.09Å; F167-I171 VanDerWaalsContact O-N 3.16Å; F167-F211 HydrophobicContact CE2-CE1 4.14Å; F167-F211 HydrophobicContact CZ-CD1 4.15Å; F167-F211 AromaticContact CZ-CE1 3.86Å; F167-F211 HydrophobicContact CZ-CE1 3.86Å; F167-I215 HydrophobicContact CD1-CG2 4.19Å; F167-I215 HydrophobicContact CE1-CB 3.73Å; F167-I215 HydrophobicContact CE1-CG1 4.42Å; F167-I215 HydrophobicContact CE1-CG2 3.52Å; F167-I215 HydrophobicContact CZ-CB 3.89Å; F167-I215 HydrophobicContact CZ-CG1 4.07Å; F167-I215 HydrophobicContact CZ-CG2 3.81Å; F167-L216 HydrophobicContact CD1-CD2 4.32Å; F167-L216 HydrophobicContact CD1-CG 4.49Å
168	T	98.6	Very high	98.6	Very high	65 Å²	65	42.3 Å²	42.3	40%	0.399	23%	0.232	S	C	.	.	H	α-helix	trans	-65.6	-40.8	178.1	-50.4	0	0	0	0	111.4	L164 F165 L166 I171 A172	L164-T168 PolarHBondContact O-N 3.44Å; L164-T168 PolarHBondContact O-OG1 2.78Å; F165-T168 PolarHBondContact O-N 3.41Å; L166-T168 VanDerWaalsContact C-N 3.33Å; L166-T168 PolarHBondContact O-N 3.13Å; T168-I171 PolarHBondContact O-N 3.46Å; T168-A172 PolarHBondContact O-N 3Å; T168-A172 VanDerWaalsContact O-N 3.09Å
169	S	98.6	Very high	98.6	Very high	33 Å²	33	39.9 Å²	39.9	23%	0.231	22%	0.223	C	C	.	.	H	α-helix	trans	-65.3	-40.1	178	-57.8	0	0	0	0	111.8	F165 L166 F167 I171 A172 V173	F165-S169 WeakPolarHBondContact O-CB 3.41Å; F165-S169 PolarHBondContact O-N 3.45Å; F165-S169 PolarHBondContact O-OG 3.39Å; L166-S169 PolarHBondContact O-N 3.37Å; F167-S169 VanDerWaalsContact C-N 3.35Å; F167-S169 PolarHBondContact O-N 2.94Å; S169-I171 VanDerWaalsContact C-N 3.34Å; S169-I171 PolarHBondContact O-N 3.45Å; S169-A172 WeakPolarHBondContact O-CB 3.36Å; S169-A172 PolarHBondContact O-N 3.36Å; S169-V173 WeakPolarHBondContact O-CG2 3.46Å; S169-V173 PolarHBondContact O-N 3.04Å
170	I	98.8	Very high	98.6	Very high	5 Å²	5	40.2 Å²	40.2	3%	0.026	23%	0.225	C	C	.	.	H	α-helix	trans	-62	-41.4	176.2	-75.8	164.8	0	0	0	110.9	F58 I59 A127 Y131 L166 F167 V173 A174	F58-I170 HydrophobicContact CB-CG2 3.82Å; F58-I170 HydrophobicContact CD2-CD1 3.73Å; F58-I170 HydrophobicContact CD2-CG1 4.08Å; F58-I170 HydrophobicContact CD2-CG2 4.12Å; F58-I170 HydrophobicContact CE2-CD1 4.01Å; F58-I170 HydrophobicContact CE2-CG1 4.48Å; F58-I170 HydrophobicContact CG-CD1 4.16Å; F58-I170 HydrophobicContact CG-CG2 4.35Å; I59-I170 HydrophobicContact CG1-CG2 4.09Å; A127-I170 HydrophobicContact CB-CG1 3.94Å; Y131-I170 HydrophobicContact CD2-CD1 4.23Å; L166-I170 WeakPolarHBondContact O-CB 3.42Å; L166-I170 WeakPolarHBondContact O-CD1 3.42Å; L166-I170 VanDerWaalsContact O-CG1 3.24Å; L166-I170 WeakPolarHBondContact O-CG1 3.33Å; L166-I170 PolarHBondContact O-N 2.86Å; F167-I170 PolarHBondContact O-N 3.48Å; I170-V173 PolarHBondContact O-N 3.01Å; I170-A174 WeakPolarHBondContact O-CB 3.28Å; I170-A174 PolarHBondContact O-N 3.36Å
171	I	98.9	Very high	98.5	Very high	11 Å²	11	38 Å²	38	6%	0.056	21%	0.209	C	C	.	.	H	α-helix	trans	-61.7	-46.6	173.5	-66.4	171.8	0	0	0	110.1	I59 F167 T168 S169 V173 A174 L175 L208 G212	I59-I171 HydrophobicContact CD1-CG1 4.35Å; I59-I171 HydrophobicContact CG1-CG1 4.3Å; I59-I171 HydrophobicContact CG2-CG1 4.35Å; F167-I171 HydrophobicContact CD1-CD1 4.44Å; F167-I171 HydrophobicContact CE1-CD1 3.91Å; F167-I171 HydrophobicContact CE2-CD1 4.1Å; F167-I171 HydrophobicContact CZ-CD1 3.73Å; F167-I171 WeakPolarHBondContact O-CG1 3.23Å; F167-I171 PolarHBondContact O-N 3.09Å; F167-I171 VanDerWaalsContact O-N 3.16Å; T168-I171 PolarHBondContact O-N 3.46Å; S169-I171 VanDerWaalsContact C-N 3.34Å; S169-I171 PolarHBondContact O-N 3.45Å; I171-V173 VanDerWaalsContact C-N 3.35Å; I171-V173 PolarHBondContact O-N 3.07Å; I171-A174 PolarHBondContact O-N 3.16Å; I171-L175 HydrophobicContact CG2-CD1 4.32Å; I171-L175 HydrophobicContact CG2-CG 4.48Å; I171-L175 VanDerWaalsContact O-CG 3.32Å; I171-L175 WeakPolarHBondContact O-CG 3.35Å; I171-L175 PolarHBondContact O-N 2.82Å; I171-L208 HydrophobicContact CG2-CB 4.46Å; I171-G212 VanDerWaalsContact CD1-CA 3.44Å
172	A	98.8	Very high	98.4	Very high	50 Å²	50	30.5 Å²	30.5	41%	0.413	18%	0.179	S	C	.	.	H	α-helix	trans	-59	-44.7	177.2	0	0	0	0	0	112.3	T168 S169 A174 L175 M176	T168-A172 PolarHBondContact O-N 3Å; T168-A172 VanDerWaalsContact O-N 3.09Å; S169-A172 WeakPolarHBondContact O-CB 3.36Å; S169-A172 PolarHBondContact O-N 3.36Å; A172-A174 VanDerWaalsContact C-N 3.34Å; A172-A174 PolarHBondContact O-N 2.64Å; A172-L175 PolarHBondContact O-N 3.48Å; A172-M176 WeakPolarHBondContact O-CG 3.28Å; A172-M176 PolarHBondContact O-N 3.48Å
173	V	98.8	Very high	98.4	Very high	15 Å²	15	34 Å²	34	9%	0.091	20%	0.195	C	C	.	.	H	α-helix	trans	-62.4	-40.5	175.8	171.4	0	0	0	0	111.5	H120 L123 S169 I170 I171 M176 G177	H120-V173 PolarHBondContact CE1-O 2.95Å; H120-V173 WeakPolarHBondContact ND1-CG1 3.24Å; H120-V173 PolarHBondContact ND1-O 2.92Å; L123-V173 HydrophobicContact CB-CG2 3.56Å; S169-V173 WeakPolarHBondContact O-CG2 3.46Å; S169-V173 PolarHBondContact O-N 3.04Å; I170-V173 PolarHBondContact O-N 3.01Å; I171-V173 VanDerWaalsContact C-N 3.35Å; I171-V173 PolarHBondContact O-N 3.07Å; V173-M176 WeakPolarHBondContact O-CB 3.24Å; V173-M176 PolarHBondContact O-N 3.2Å; V173-G177 PolarHBondContact O-N 3.38Å
174	A	98.8	Very high	98.1	Very high	12 Å²	12	39.6 Å²	39.6	10%	0.099	22%	0.215	C	C	.	.	H	α-helix	trans	-63.9	-40.2	176.3	0	0	0	0	0	111.9	V54 I59 I170 I171 A172 M176 G177 I178 L208	V54-A174 HydrophobicContact CG1-CB 4.36Å; I59-A174 HydrophobicContact CD1-CB 3.8Å; I170-A174 WeakPolarHBondContact O-CB 3.28Å; I170-A174 PolarHBondContact O-N 3.36Å; I171-A174 PolarHBondContact O-N 3.16Å; A172-A174 VanDerWaalsContact C-N 3.34Å; A172-A174 PolarHBondContact O-N 2.64Å; A174-M176 VanDerWaalsContact C-N 3.33Å; A174-M176 PolarHBondContact O-N 3.46Å; A174-G177 PolarHBondContact O-N 2.96Å; A174-I178 WeakPolarHBondContact O-CB 3.29Å; A174-I178 WeakPolarHBondContact O-CG1 3.33Å; A174-I178 PolarHBondContact O-N 3.27Å; A174-L208 HydrophobicContact CB-CD1 4.42Å
175	L	98.9	Very high	97.8	Very high	51 Å²	51	39.7 Å²	39.7	27%	0.267	23%	0.225	S	C	.	.	H	α-helix	trans	-63.9	-38.5	174.4	-63.6	174.7	0	0	0	111.9	I171 A172 T179 G205 V209	I171-L175 HydrophobicContact CG2-CD1 4.32Å; I171-L175 HydrophobicContact CG2-CG 4.48Å; I171-L175 VanDerWaalsContact O-CG 3.32Å; I171-L175 WeakPolarHBondContact O-CG 3.35Å; I171-L175 PolarHBondContact O-N 2.82Å; A172-L175 PolarHBondContact O-N 3.48Å; L175-T179 WeakPolarHBondContact O-CB 3.42Å; L175-T179 PolarHBondContact O-N 2.92Å; L175-T179 PolarHBondContact O-OG1 3.43Å; L175-G205 WeakPolarHBondContact CD2-O 3.43Å; L175-V209 HydrophobicContact CD1-CG2 3.68Å; L175-V209 HydrophobicContact CD2-CG2 4.38Å
176	M	98.7	Very high	97.6	Very high	50 Å²	50	35.9 Å²	35.9	25%	0.246	21%	0.209	C	C	.	.	H	α-helix	trans	-62.8	-45.4	172.7	-64.6	166.6	67.4	0	0	111.2	L119 H120 L123 A172 V173 A174 T179 E180	L119-M176 HydrophobicContact CB-CE 3.82Å; L119-M176 HydrophobicContact CD2-CE 3.82Å; L119-M176 HydrophobicContact CG-CE 3.68Å; H120-M176 HydrophobicContact CB-CB 4.08Å; H120-M176 HydrophobicContact CB-CE 4.31Å; L123-M176 HydrophobicContact CD1-CE 4.18Å; L123-M176 HydrophobicContact CD1-SD 4.04Å; A172-M176 WeakPolarHBondContact O-CG 3.28Å; A172-M176 PolarHBondContact O-N 3.48Å; V173-M176 WeakPolarHBondContact O-CB 3.24Å; V173-M176 PolarHBondContact O-N 3.2Å; A174-M176 VanDerWaalsContact C-N 3.33Å; A174-M176 PolarHBondContact O-N 3.46Å; M176-T179 WeakPolarHBondContact O-CB 3.44Å; M176-T179 PolarHBondContact O-N 3.46Å; M176-E180 WeakPolarHBondContact O-CG 3.45Å; M176-E180 PolarHBondContact O-N 2.99Å
177	G	98.4	Very high	97.2	Very high	15 Å²	15	38.7 Å²	38.7	16%	0.155	23%	0.233	C	C	.	.	H	α-helix	trans	-64.5	-41	178.8	0	0	0	0	0	112.9	H120 V173 A174 T179 E180 K181	H120-G177 VanDerWaalsContact CE1-CA 3.49Å; H120-G177 WeakPolarHBondContact CE1-CA 3.45Å; H120-G177 WeakPolarHBondContact ND1-CA 3.33Å; H120-G177 PolarHBondContact ND1-N 2.87Å; V173-G177 PolarHBondContact O-N 3.38Å; A174-G177 PolarHBondContact O-N 2.96Å; G177-T179 VanDerWaalsContact C-N 3.33Å; G177-T179 PolarHBondContact O-N 2.93Å; G177-E180 PolarHBondContact O-N 2.75Å; G177-K181 WeakPolarHBondContact O-CB 3.42Å; G177-K181 PolarHBondContact O-N 3.28Å
178	I	98.6	Very high	96.7	Very high	13 Å²	13	45.9 Å²	45.9	7%	0.067	27%	0.272	C	S	.	.	H	α-helix	trans	-58.1	-48	171.2	-74.6	167.7	0	0	0	110.1	W30 A174 K181 L182 V201 L204 L208	W30-I178 HydrophobicContact CZ3-CG1 4.31Å; A174-I178 WeakPolarHBondContact O-CB 3.29Å; A174-I178 WeakPolarHBondContact O-CG1 3.33Å; A174-I178 PolarHBondContact O-N 3.27Å; I178-K181 PolarHBondContact O-N 2.84Å; I178-L182 HydrophobicContact CG2-CD1 4.08Å; I178-L182 HydrophobicContact CG2-CG 4.42Å; I178-L182 WeakPolarHBondContact O-CG 3.45Å; I178-L182 PolarHBondContact O-N 3.43Å; I178-V201 HydrophobicContact CG2-CG1 3.49Å; I178-V201 VanDerWaalsContact CG2-CG1 3.49Å; I178-L204 HydrophobicContact CD1-CD2 4.42Å; I178-L204 HydrophobicContact CD1-CG 4.42Å; I178-L208 HydrophobicContact CD1-CD1 3.84Å
179	T	98.4	Very high	96.5	Very high	61 Å²	61	46.5 Å²	46.5	37%	0.374	28%	0.277	S	S	.	.	H	α-helix	trans	-62.3	-47.5	-179.4	-58.4	0	0	0	0	111.5	L175 M176 G177 K181 L182 I183	L175-T179 WeakPolarHBondContact O-CB 3.42Å; L175-T179 PolarHBondContact O-N 2.92Å; L175-T179 PolarHBondContact O-OG1 3.43Å; M176-T179 WeakPolarHBondContact O-CB 3.44Å; M176-T179 PolarHBondContact O-N 3.46Å; G177-T179 VanDerWaalsContact C-N 3.33Å; G177-T179 PolarHBondContact O-N 2.93Å; T179-K181 PolarHBondContact O-N 3.25Å; T179-L182 PolarHBondContact O-N 2.93Å; T179-I183 HydrophobicContact CG2-CD1 3.72Å; T179-I183 HydrophobicContact CG2-CG1 4.47Å; T179-I183 WeakPolarHBondContact O-CB 3.17Å; T179-I183 VanDerWaalsContact O-CG1 3.25Å; T179-I183 WeakPolarHBondContact O-CG1 3.13Å; T179-I183 PolarHBondContact O-N 3.43Å
180	E	97.4	Very high	96.3	Very high	46 Å²	46	50.1 Å²	50.1	22%	0.215	29%	0.288	C	S	.	.	H	α-helix	trans	-57	-48.8	174.6	-76.1	-178.4	-173	0	0	110.9	S118 H120 M176 G177 L182 I183 F184	S118-E180 WeakPolarHBondContact CB-OE1 3.37Å; S118-E180 PolarHBondContact OG-OE1 2.99Å; S118-E180 PolarHBondContact OG-OE2 3.38Å; H120-E180 VanDerWaalsContact CB-OE1 3.26Å; H120-E180 WeakPolarHBondContact CB-OE1 3.26Å; H120-E180 WeakPolarHBondContact CB-OE2 3.33Å; H120-E180 IonicContact CD2-OE2 3.73Å; H120-E180 IonicContact CG-OE2 2.78Å; M176-E180 WeakPolarHBondContact O-CG 3.45Å; M176-E180 PolarHBondContact O-N 2.99Å; G177-E180 PolarHBondContact O-N 2.75Å; E180-L182 PolarHBondContact O-N 3.5Å; E180-I183 PolarHBondContact O-N 2.84Å; E180-F184 HydrophobicContact CB-CD2 4.27Å; E180-F184 HydrophobicContact CB-CE2 3.9Å; E180-F184 HydrophobicContact CG-CE2 4.29Å; E180-F184 WeakPolarHBondContact O-CB 3.46Å; E180-F184 WeakPolarHBondContact O-CD2 3.38Å; E180-F184 VanDerWaalsContact O-CG 3.22Å; E180-F184 WeakPolarHBondContact O-CG 3.32Å; E180-F184 PolarHBondContact O-N 2.89Å
181	K	96.8	Very high	96.3	Very high	31 Å²	31	52.8 Å²	52.8	14%	0.135	30%	0.299	C	S	.	.	H	α-helix	trans	-65.6	-36.7	-178.4	-172.4	61.3	173.9	-168	0	112.9	W30 F47 G177 I178 T179 G185	W30-K181 HydrophobicContact CH2-CB 4.15Å; W30-K181 HydrophobicContact CH2-CG 3.92Å; W30-K181 HydrophobicContact CZ2-CB 4.31Å; W30-K181 HydrophobicContact CZ2-CG 3.77Å; F47-K181 HydrophobicContact CD1-CD 4.39Å; F47-K181 VanDerWaalsContact CD1-NZ 3.3Å; F47-K181 HydrophobicContact CE1-CD 3.55Å; F47-K181 VanDerWaalsContact CE1-CE 3.46Å; F47-K181 HydrophobicContact CE1-CG 4.24Å; F47-K181 VanDerWaalsContact CE1-NZ 3.35Å; F47-K181 HydrophobicContact CZ-CD 4.03Å; G177-K181 WeakPolarHBondContact O-CB 3.42Å; G177-K181 PolarHBondContact O-N 3.28Å; I178-K181 PolarHBondContact O-N 2.84Å; T179-K181 PolarHBondContact O-N 3.25Å; K181-G185 VanDerWaalsContact O-CA 3.31Å; K181-G185 WeakPolarHBondContact O-CA 3.31Å; K181-G185 PolarHBondContact O-N 3.48Å
182	L	97.4	Very high	96.1	Very high	0 Å²	0	60 Å²	60	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-69.7	-42.2	175.2	-71.3	-179	0	0	0	111.9	W30 I178 T179 E180 L186 Y191 V201	W30-L182 HydrophobicContact CZ2-CD2 4.41Å; I178-L182 HydrophobicContact CG2-CD1 4.08Å; I178-L182 HydrophobicContact CG2-CG 4.42Å; I178-L182 WeakPolarHBondContact O-CG 3.45Å; I178-L182 PolarHBondContact O-N 3.43Å; T179-L182 PolarHBondContact O-N 2.93Å; E180-L182 PolarHBondContact O-N 3.5Å; L182-L186 HydrophobicContact CB-CD1 4.45Å; L182-L186 HydrophobicContact CD2-CD1 3.91Å; L182-L186 WeakPolarHBondContact O-CB 3.22Å; L182-L186 PolarHBondContact O-N 3.12Å; L182-L186 VanDerWaalsContact O-N 3.1Å; L182-Y191 HydrophobicContact CB-CD2 4.05Å; L182-Y191 HydrophobicContact CB-CE2 4.13Å; L182-Y191 HydrophobicContact CB-CG 4.34Å; L182-Y191 HydrophobicContact CD1-CD2 4.3Å; L182-Y191 HydrophobicContact CD1-CE2 3.67Å; L182-Y191 HydrophobicContact CG-CE2 4.5Å; L182-V201 HydrophobicContact CD1-CB 3.97Å; L182-V201 HydrophobicContact CD1-CG1 3.81Å; L182-V201 HydrophobicContact CD2-CB 3.92Å; L182-V201 HydrophobicContact CD2-CG1 3.97Å; L182-V201 HydrophobicContact CD2-CG2 4.16Å; L182-V201 HydrophobicContact CG-CB 4.37Å; L182-V201 HydrophobicContact CG-CG1 4.03Å
183	I	96.8	Very high	96.1	Very high	97 Å²	97	62.1 Å²	62.1	50%	0.497	33%	0.334	S	S	.	.	H	α-helix	trans	-63.5	-43.5	178.1	-70	169.5	0	0	0	110.8	T179 E180 Y191	T179-I183 HydrophobicContact CG2-CD1 3.72Å; T179-I183 HydrophobicContact CG2-CG1 4.47Å; T179-I183 WeakPolarHBondContact O-CB 3.17Å; T179-I183 VanDerWaalsContact O-CG1 3.25Å; T179-I183 WeakPolarHBondContact O-CG1 3.13Å; T179-I183 PolarHBondContact O-N 3.43Å; E180-I183 PolarHBondContact O-N 2.84Å; I183-Y191 HydrophobicContact CG1-CD1 3.95Å; I183-Y191 HydrophobicContact CG1-CE1 4.4Å
184	F	92.6	Very high	95.9	Very high	133 Å²	133	64.8 Å²	64.8	58%	0.583	35%	0.353	S	S	*	.	H	α-helix	trans	-80.1	-33.7	-179.2	-57.6	-33.2	0	0	0	113.2	E180	E180-F184 HydrophobicContact CB-CD2 4.27Å; E180-F184 HydrophobicContact CB-CE2 3.9Å; E180-F184 HydrophobicContact CG-CE2 4.29Å; E180-F184 WeakPolarHBondContact O-CB 3.46Å; E180-F184 WeakPolarHBondContact O-CD2 3.38Å; E180-F184 VanDerWaalsContact O-CG 3.22Å; E180-F184 WeakPolarHBondContact O-CG 3.32Å; E180-F184 PolarHBondContact O-N 2.89Å
185	G	91.6	Very high	95.9	Very high	37 Å²	37	64.8 Å²	64.8	38%	0.381	35%	0.352	S	S	.	.	H	α-helix	trans	-86.3	-21.7	-173.1	0	0	0	0	0	115.2	K181	K181-G185 VanDerWaalsContact O-CA 3.31Å; K181-G185 WeakPolarHBondContact O-CA 3.31Å; K181-G185 PolarHBondContact O-N 3.48Å
186	L	94.8	Very high	95.8	Very high	19 Å²	19	67 Å²	67	10%	0.099	37%	0.37	C	S	.	.			trans	-103.9	88	-178.4	-67.5	174.2	0	0	0	111.6	L182 K190 Y191 P195 E197 A198	L182-L186 HydrophobicContact CB-CD1 4.45Å; L182-L186 HydrophobicContact CD2-CD1 3.91Å; L182-L186 WeakPolarHBondContact O-CB 3.22Å; L182-L186 PolarHBondContact O-N 3.12Å; L182-L186 VanDerWaalsContact O-N 3.1Å; L186-K190 WeakPolarHBondContact O-CA 3.35Å; L186-Y191 HydrophobicContact CD1-CD2 3.93Å; L186-Y191 HydrophobicContact CD1-CG 4.49Å; L186-P195 HydrophobicContact CD1-CG 3.94Å; L186-P195 HydrophobicContact CD2-CG 4.3Å; L186-E197 HydrophobicContact CD2-CB 4.26Å; L186-E197 WeakPolarHBondContact CD2-OE2 3.42Å; L186-A198 HydrophobicContact CD1-CB 3.79Å
187	A	90.6	Very high	95.8	Very high	68 Å²	68	65.5 Å²	65.5	56%	0.562	36%	0.362	S	S	*	.	B	Isolated β-bridge	trans	-91.3	-38.3	179.7	0	0	0	0	0	113.8	K190	A187-K190 WeakPolarHBondContact O-CG 3.22Å
188	N	89.6	Confident	95.8	Very high	151 Å²	151	64.8 Å²	64.8	81%	0.807	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-155.6	111	179.1	-84.7	-36.6	0	0	0	110.4
189	P	92.5	Very high	95.8	Very high	78 Å²	78	68.8 Å²	68.8	51%	0.506	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	cis	-60	152.3	-8.8	26	-36.2	0	0	0	113	P195	P189-P195 HydrophobicContact CB-CB 4.1Å; P189-P195 HydrophobicContact CB-CG 4.42Å; P189-P195 HydrophobicContact CG-CB 3.43Å; P189-P195 VanDerWaalsContact CG-CB 3.43Å; P189-P195 HydrophobicContact CG-CG 4.02Å
190	K	96.3	Very high	95.8	Very high	109 Å²	109	67.6 Å²	67.6	47%	0.474	37%	0.365	S	S	.	.	B	Isolated β-bridge	trans	-77.6	154.9	-179	-66.4	-179.3	179.7	-176.1	0	110.9	L186 A187 K192 D193 P195	L186-K190 WeakPolarHBondContact O-CA 3.35Å; A187-K190 WeakPolarHBondContact O-CG 3.22Å; K190-K192 VanDerWaalsContact C-N 3.27Å; K190-K192 HydrophobicContact CB-CG 4.23Å; K190-K192 PolarHBondContact O-N 3.35Å; K190-D193 WeakPolarHBondContact CB-OD2 3.37Å; K190-D193 PolarHBondContact N-OD2 3.4Å; K190-D193 WeakPolarHBondContact O-CB 3.37Å; K190-D193 PolarHBondContact O-N 3.45Å; K190-P195 WeakPolarHBondContact O-CD 3.42Å
191	Y	96.9	Very high	95.8	Very high	61 Å²	61	65.4 Å²	65.4	24%	0.239	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-51.5	-43.1	179.2	179.1	-135.1	0	0	0	113.8	L182 I183 L186 D193 S194 A198 N202	L182-Y191 HydrophobicContact CB-CD2 4.05Å; L182-Y191 HydrophobicContact CB-CE2 4.13Å; L182-Y191 HydrophobicContact CB-CG 4.34Å; L182-Y191 HydrophobicContact CD1-CD2 4.3Å; L182-Y191 HydrophobicContact CD1-CE2 3.67Å; L182-Y191 HydrophobicContact CG-CE2 4.5Å; I183-Y191 HydrophobicContact CG1-CD1 3.95Å; I183-Y191 HydrophobicContact CG1-CE1 4.4Å; L186-Y191 HydrophobicContact CD1-CD2 3.93Å; L186-Y191 HydrophobicContact CD1-CG 4.49Å; Y191-D193 PolarHBondContact O-N 3.01Å; Y191-D193 VanDerWaalsContact O-N 3.15Å; Y191-S194 PolarHBondContact O-N 3.37Å; Y191-A198 HydrophobicContact CD2-CB 3.52Å; Y191-A198 HydrophobicContact CE2-CB 3.68Å; Y191-N202 PolarHBondContact OH-ND2 3.37Å; Y191-N202 PolarHBondContact OH-OD1 2.8Å
192	K	96.5	Very high	95.9	Very high	163 Å²	163	67 Å²	67	71%	0.709	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-60.4	-24.3	179.4	68.3	170.8	-169.5	167.6	0	114.2	K190 S194	K190-K192 VanDerWaalsContact C-N 3.27Å; K190-K192 HydrophobicContact CB-CG 4.23Å; K190-K192 PolarHBondContact O-N 3.35Å; K192-S194 PolarHBondContact O-N 2.83Å
193	D	97.1	Very high	96	Very high	95 Å²	95	69.6 Å²	69.6	51%	0.508	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-83.4	4.2	-178.7	-52	-42.2	0	0	0	111.1	K190 Y191	K190-D193 WeakPolarHBondContact CB-OD2 3.37Å; K190-D193 PolarHBondContact N-OD2 3.4Å; K190-D193 WeakPolarHBondContact O-CB 3.37Å; K190-D193 PolarHBondContact O-N 3.45Å; Y191-D193 PolarHBondContact O-N 3.01Å; Y191-D193 VanDerWaalsContact O-N 3.15Å
194	S	96.1	Very high	96.1	Very high	71 Å²	71	65 Å²	65	50%	0.497	36%	0.357	S	S	.	.			trans	52.9	53.4	176.4	-55.8	0	0	0	0	113.9	Y191 K192 I199	Y191-S194 PolarHBondContact O-N 3.37Å; K192-S194 PolarHBondContact O-N 2.83Å; S194-I199 WeakPolarHBondContact O-CD1 3.41Å
195	P	97.7	Very high	96.4	Very high	11 Å²	11	59.1 Å²	59.1	7%	0.071	33%	0.333	C	S	.	.			trans	-62.6	163.6	175.9	28.8	-36.3	0	0	0	112	L186 P189 K190 E197 A198 I199	L186-P195 HydrophobicContact CD1-CG 3.94Å; L186-P195 HydrophobicContact CD2-CG 4.3Å; P189-P195 HydrophobicContact CB-CB 4.1Å; P189-P195 HydrophobicContact CB-CG 4.42Å; P189-P195 HydrophobicContact CG-CB 3.43Å; P189-P195 VanDerWaalsContact CG-CB 3.43Å; P189-P195 HydrophobicContact CG-CG 4.02Å; K190-P195 WeakPolarHBondContact O-CD 3.42Å; P195-E197 PolarHBondContact O-N 3.35Å; P195-E197 VanDerWaalsContact O-N 3.12Å; P195-A198 HydrophobicContact CG-CB 3.77Å; P195-A198 WeakPolarHBondContact O-CA 3.17Å; P195-A198 VanDerWaalsContact O-CB 3.28Å; P195-A198 WeakPolarHBondContact O-CB 3.35Å; P195-A198 PolarHBondContact O-N 2.96Å; P195-I199 PolarHBondContact O-N 2.93Å; P195-I199 VanDerWaalsContact O-N 3.12Å
196	P	98	Very high	96.7	Very high	98 Å²	98	62.8 Å²	62.8	64%	0.636	34%	0.344	S	S	*	.	H	α-helix	trans	-52.6	-39.6	-177.1	-29.2	36	0	0	0	114.1	F34 I199 F200	F34-P196 HydrophobicContact CE1-CB 4.41Å; P196-I199 PolarHBondContact O-N 2.99Å; P196-F200 VanDerWaalsContact O-CB 3.23Å; P196-F200 WeakPolarHBondContact O-CB 3.28Å; P196-F200 PolarHBondContact O-N 3.36Å
197	E	98	Very high	96.9	Very high	18 Å²	18	63.4 Å²	63.4	8%	0.084	35%	0.347	C	S	.	.	H	α-helix	trans	-60.5	-46.3	174.5	-170.2	-170.8	151.5	0	0	111.8	W30 F34 K35 L186 P195 I199 F200 V201	W30-E197 PolarHBondContact NE1-OE1 3.45Å; F34-E197 HydrophobicContact CB-CB 4.38Å; F34-E197 HydrophobicContact CB-CG 3.71Å; F34-E197 HydrophobicContact CD1-CB 3.56Å; F34-E197 HydrophobicContact CD1-CG 3.81Å; F34-E197 HydrophobicContact CD2-CG 4.47Å; F34-E197 HydrophobicContact CE1-CB 3.93Å; F34-E197 HydrophobicContact CE1-CG 4.49Å; F34-E197 HydrophobicContact CG-CB 4.07Å; F34-E197 HydrophobicContact CG-CG 3.77Å; K35-E197 WeakPolarHBondContact CE-OE1 3.33Å; K35-E197 IonicContact NZ-OE1 2.65Å; K35-E197 PolarHBondContact NZ-OE1 2.8Å; K35-E197 IonicContact NZ-OE2 3Å; K35-E197 PolarHBondContact NZ-OE2 2.76Å; L186-E197 HydrophobicContact CD2-CB 4.26Å; L186-E197 WeakPolarHBondContact CD2-OE2 3.42Å; P195-E197 PolarHBondContact O-N 3.35Å; P195-E197 VanDerWaalsContact O-N 3.12Å; E197-I199 PolarHBondContact O-N 3.3Å; E197-F200 PolarHBondContact O-N 2.81Å; E197-V201 HydrophobicContact CG-CG2 4.15Å; E197-V201 WeakPolarHBondContact O-CB 3.33Å; E197-V201 VanDerWaalsContact O-CG2 3.24Å; E197-V201 WeakPolarHBondContact O-CG2 3.23Å; E197-V201 PolarHBondContact O-N 2.9Å
198	A	98.1	Very high	97.3	Very high	1 Å²	1	60.2 Å²	60.2	1%	0.008	32%	0.321	C	S	.	.	H	α-helix	trans	-59.3	-47.7	-179.7	0	0	0	0	0	111.8	L186 Y191 P195 N202	L186-A198 HydrophobicContact CD1-CB 3.79Å; Y191-A198 HydrophobicContact CD2-CB 3.52Å; Y191-A198 HydrophobicContact CE2-CB 3.68Å; P195-A198 HydrophobicContact CG-CB 3.77Å; P195-A198 WeakPolarHBondContact O-CA 3.17Å; P195-A198 VanDerWaalsContact O-CB 3.28Å; P195-A198 WeakPolarHBondContact O-CB 3.35Å; P195-A198 PolarHBondContact O-N 2.96Å; A198-N202 VanDerWaalsContact O-CB 3.27Å; A198-N202 WeakPolarHBondContact O-CB 3.16Å; A198-N202 PolarHBondContact O-N 2.88Å; A198-N202 PolarHBondContact O-ND2 3.43Å
199	I	98.4	Very high	97.8	Very high	97 Å²	97	56.4 Å²	56.4	50%	0.497	30%	0.303	S	S	.	.	H	α-helix	trans	-62.6	-46.9	178.4	-62.8	171.7	0	0	0	109.8	S194 P195 P196 E197 V201 N202 V203	S194-I199 WeakPolarHBondContact O-CD1 3.41Å; P195-I199 PolarHBondContact O-N 2.93Å; P195-I199 VanDerWaalsContact O-N 3.12Å; P196-I199 PolarHBondContact O-N 2.99Å; E197-I199 PolarHBondContact O-N 3.3Å; I199-V201 PolarHBondContact O-N 2.96Å; I199-N202 PolarHBondContact O-N 3.07Å; I199-V203 WeakPolarHBondContact O-CG2 2.91Å; I199-V203 PolarHBondContact O-N 3.39Å
200	F	98.6	Very high	98.1	Very high	36 Å²	36	56.2 Å²	56.2	16%	0.158	30%	0.3	C	S	.	.	H	α-helix	trans	-59.7	-45.1	-178.4	-175.6	-98.5	0	0	0	112.4	F26 R29 W30 F34 P196 E197 V203 L204	F26-F200 HydrophobicContact CB-CE1 4.31Å; F26-F200 HydrophobicContact CB-CZ 4.14Å; F26-F200 HydrophobicContact CD1-CD1 4.35Å; F26-F200 HydrophobicContact CD1-CD2 4.11Å; F26-F200 AromaticContact CD1-CE1 3.9Å; F26-F200 HydrophobicContact CD1-CE1 3.9Å; F26-F200 AromaticContact CD1-CE2 3.63Å; F26-F200 HydrophobicContact CD1-CE2 3.63Å; F26-F200 HydrophobicContact CD1-CG 4.45Å; F26-F200 AromaticContact CD1-CZ 3.5Å; F26-F200 HydrophobicContact CD1-CZ 3.5Å; F26-F200 VanDerWaalsContact CD1-CZ 3.5Å; F26-F200 HydrophobicContact CD2-CE2 4.44Å; F26-F200 HydrophobicContact CD2-CZ 4.19Å; F26-F200 AromaticContact CE1-CD2 3.82Å; F26-F200 HydrophobicContact CE1-CD2 3.82Å; F26-F200 AromaticContact CE1-CE2 3.48Å; F26-F200 HydrophobicContact CE1-CE2 3.48Å; F26-F200 VanDerWaalsContact CE1-CE2 3.48Å; F26-F200 HydrophobicContact CE1-CG 4.47Å; F26-F200 AromaticContact CE1-CZ 3.88Å; F26-F200 HydrophobicContact CE1-CZ 3.88Å; F26-F200 HydrophobicContact CE2-CE2 4.33Å; F26-F200 HydrophobicContact CG-CE1 4.22Å; F26-F200 HydrophobicContact CG-CE2 4.13Å; F26-F200 AromaticContact CG-CZ 3.68Å; F26-F200 HydrophobicContact CG-CZ 3.68Å; F26-F200 HydrophobicContact CZ-CD2 4.47Å; F26-F200 AromaticContact CZ-CE2 3.87Å; F26-F200 HydrophobicContact CZ-CE2 3.87Å; F26-F200 HydrophobicContact CZ-CZ 4.39Å; F26-F200 WeakPolarHBondContact O-CE1 3.36Å; R29-F200 HydrophobicContact CB-CE1 4.21Å; R29-F200 HydrophobicContact CB-CZ 3.94Å; R29-F200 HydrophobicContact CG-CE1 4.27Å; R29-F200 HydrophobicContact CG-CZ 3.93Å; W30-F200 HydrophobicContact CB-CE1 4.28Å; F34-F200 HydrophobicContact CD2-CD1 4.3Å; F34-F200 HydrophobicContact CE2-CB 4.31Å; F34-F200 AromaticContact CE2-CD1 3.75Å; F34-F200 HydrophobicContact CE2-CD1 3.75Å; F34-F200 HydrophobicContact CE2-CE1 4.19Å; F34-F200 AromaticContact CE2-CG 3.95Å; F34-F200 HydrophobicContact CE2-CG 3.95Å; F34-F200 HydrophobicContact CZ-CB 4.34Å; F34-F200 HydrophobicContact CZ-CG 4.37Å; P196-F200 VanDerWaalsContact O-CB 3.23Å; P196-F200 WeakPolarHBondContact O-CB 3.28Å; P196-F200 PolarHBondContact O-N 3.36Å; E197-F200 PolarHBondContact O-N 2.81Å; F200-V203 PolarHBondContact O-N 3.15Å; F200-L204 PolarHBondContact O-N 3.42Å
201	V	98.5	Very high	98.2	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-77.2	-29.5	-178.9	-178.9	0	0	0	0	111.8	W30 I178 L182 E197 I199 V203 L204 G205	W30-V201 HydrophobicContact CB-CG2 4.23Å; W30-V201 HydrophobicContact CD2-CG1 4.15Å; W30-V201 HydrophobicContact CD2-CG2 3.62Å; W30-V201 HydrophobicContact CE3-CG1 4.2Å; W30-V201 HydrophobicContact CE3-CG2 4.38Å; W30-V201 HydrophobicContact CG-CG2 3.5Å; W30-V201 HydrophobicContact CH2-CG1 4.1Å; W30-V201 HydrophobicContact CZ2-CG1 4.04Å; W30-V201 HydrophobicContact CZ2-CG2 4.31Å; W30-V201 HydrophobicContact CZ3-CG1 4.18Å; I178-V201 HydrophobicContact CG2-CG1 3.49Å; I178-V201 VanDerWaalsContact CG2-CG1 3.49Å; L182-V201 HydrophobicContact CD1-CB 3.97Å; L182-V201 HydrophobicContact CD1-CG1 3.81Å; L182-V201 HydrophobicContact CD2-CB 3.92Å; L182-V201 HydrophobicContact CD2-CG1 3.97Å; L182-V201 HydrophobicContact CD2-CG2 4.16Å; L182-V201 HydrophobicContact CG-CB 4.37Å; L182-V201 HydrophobicContact CG-CG1 4.03Å; E197-V201 HydrophobicContact CG-CG2 4.15Å; E197-V201 WeakPolarHBondContact O-CB 3.33Å; E197-V201 VanDerWaalsContact O-CG2 3.24Å; E197-V201 WeakPolarHBondContact O-CG2 3.23Å; E197-V201 PolarHBondContact O-N 2.9Å; I199-V201 PolarHBondContact O-N 2.96Å; V201-V203 VanDerWaalsContact C-N 3.32Å; V201-L204 VanDerWaalsContact O-CB 3.31Å; V201-L204 WeakPolarHBondContact O-CB 3.28Å; V201-L204 PolarHBondContact O-N 3.42Å; V201-G205 PolarHBondContact O-N 3.13Å
202	N	98.7	Very high	98.3	Very high	63 Å²	63	48.4 Å²	48.4	34%	0.337	27%	0.268	S	S	.	.	H	α-helix	trans	-63.7	-39.7	168.9	-76.5	-16.4	0	0	0	111.6	Y191 A198 I199 L204 G205 L206	Y191-N202 PolarHBondContact OH-ND2 3.37Å; Y191-N202 PolarHBondContact OH-OD1 2.8Å; A198-N202 VanDerWaalsContact O-CB 3.27Å; A198-N202 WeakPolarHBondContact O-CB 3.16Å; A198-N202 PolarHBondContact O-N 2.88Å; A198-N202 PolarHBondContact O-ND2 3.43Å; I199-N202 PolarHBondContact O-N 3.07Å; N202-L204 VanDerWaalsContact C-N 3.33Å; N202-G205 PolarHBondContact O-N 3.42Å; N202-G205 VanDerWaalsContact O-N 3.16Å; N202-L206 WeakPolarHBondContact O-CG 3.35Å; N202-L206 PolarHBondContact O-N 3.06Å
203	V	98.8	Very high	98.4	Very high	56 Å²	56	43.4 Å²	43.4	34%	0.339	26%	0.257	S	S	.	.	H	α-helix	trans	-63.2	-39.5	172.1	173.5	0	0	0	0	111.1	F26 I199 F200 V201 G205 L206 L207	F26-V203 HydrophobicContact CD1-CG1 4.44Å; F26-V203 HydrophobicContact CE1-CB 4.1Å; F26-V203 HydrophobicContact CE1-CG1 3.63Å; F26-V203 HydrophobicContact CZ-CG1 4.18Å; I199-V203 WeakPolarHBondContact O-CG2 2.91Å; I199-V203 PolarHBondContact O-N 3.39Å; F200-V203 PolarHBondContact O-N 3.15Å; V201-V203 VanDerWaalsContact C-N 3.32Å; V203-G205 VanDerWaalsContact C-N 3.33Å; V203-G205 PolarHBondContact O-N 3.47Å; V203-L206 PolarHBondContact O-N 3.09Å; V203-L207 HydrophobicContact CG1-CD1 4.26Å; V203-L207 HydrophobicContact CG1-CG 4.41Å; V203-L207 VanDerWaalsContact O-CG 3.31Å; V203-L207 WeakPolarHBondContact O-CG 3.28Å; V203-L207 PolarHBondContact O-N 2.91Å
204	L	98.8	Very high	98.5	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-54.8	-49.1	169.8	170.5	61.6	0	0	0	111	A23 F26 V27 W30 I178 F200 V201 N202 L206 L207 L208	A23-L204 HydrophobicContact CB-CD1 3.99Å; A23-L204 WeakPolarHBondContact O-CD1 3.45Å; F26-L204 HydrophobicContact CB-CB 4.16Å; F26-L204 HydrophobicContact CB-CD1 3.86Å; F26-L204 HydrophobicContact CB-CG 4.44Å; F26-L204 HydrophobicContact CD1-CB 4.22Å; V27-L204 HydrophobicContact CB-CD2 3.89Å; V27-L204 HydrophobicContact CG2-CD2 4.19Å; W30-L204 HydrophobicContact CE3-CD2 4.12Å; I178-L204 HydrophobicContact CD1-CD2 4.42Å; I178-L204 HydrophobicContact CD1-CG 4.42Å; F200-L204 PolarHBondContact O-N 3.42Å; V201-L204 VanDerWaalsContact O-CB 3.31Å; V201-L204 WeakPolarHBondContact O-CB 3.28Å; V201-L204 PolarHBondContact O-N 3.42Å; N202-L204 VanDerWaalsContact C-N 3.33Å; L204-L206 VanDerWaalsContact C-N 3.32Å; L204-L206 PolarHBondContact O-N 2.9Å; L204-L207 WeakPolarHBondContact O-CB 3.45Å; L204-L207 PolarHBondContact O-N 3.25Å; L204-L207 VanDerWaalsContact O-N 3.1Å; L204-L208 HydrophobicContact CD1-CD2 4.21Å; L204-L208 HydrophobicContact CD1-CG 4.28Å; L204-L208 WeakPolarHBondContact O-CG 3.49Å; L204-L208 PolarHBondContact O-N 3.3Å
205	G	98.8	Very high	98.6	Very high	8 Å²	8	37.3 Å²	37.3	8%	0.082	22%	0.219	C	C	.	.	H	α-helix	trans	-55.2	-44.5	176.1	0	0	0	0	0	113.2	L175 V201 N202 V203 L207 L208 V209	L175-G205 WeakPolarHBondContact CD2-O 3.43Å; V201-G205 PolarHBondContact O-N 3.13Å; N202-G205 PolarHBondContact O-N 3.42Å; N202-G205 VanDerWaalsContact O-N 3.16Å; V203-G205 VanDerWaalsContact C-N 3.33Å; V203-G205 PolarHBondContact O-N 3.47Å; G205-L207 PolarHBondContact O-N 2.93Å; G205-L208 PolarHBondContact O-N 3.23Å; G205-V209 PolarHBondContact O-N 3.28Å; G205-V209 VanDerWaalsContact O-N 3.17Å
206	L	98.8	Very high	98.6	Very high	115 Å²	115	39.1 Å²	39.1	60%	0.602	23%	0.227	S	C	*	.	H	α-helix	trans	-62.7	-41.2	175.3	-65.8	175.8	0	0	0	112.4	N202 V203 L204 L208 V209 V210	N202-L206 WeakPolarHBondContact O-CG 3.35Å; N202-L206 PolarHBondContact O-N 3.06Å; V203-L206 PolarHBondContact O-N 3.09Å; L204-L206 VanDerWaalsContact C-N 3.32Å; L204-L206 PolarHBondContact O-N 2.9Å; L206-L208 VanDerWaalsContact C-N 3.31Å; L206-L208 PolarHBondContact O-N 2.91Å; L206-V209 PolarHBondContact O-N 3.17Å; L206-V210 WeakPolarHBondContact O-CG2 3.44Å; L206-V210 PolarHBondContact O-N 3Å
207	L	98.8	Very high	98.6	Very high	32 Å²	32	40.4 Å²	40.4	17%	0.168	22%	0.22	C	C	.	.	H	α-helix	trans	-60.8	-40.1	175.9	-69.1	167.8	0	0	0	111.5	V19 V22 A23 F26 V203 L204 G205 V209 V210 F211	V19-L207 HydrophobicContact CG1-CB 4.29Å; V19-L207 HydrophobicContact CG1-CD2 4.01Å; V19-L207 WeakPolarHBondContact CG1-O 3.15Å; V22-L207 HydrophobicContact CG1-CD1 3.88Å; A23-L207 HydrophobicContact CB-CB 4.25Å; F26-L207 HydrophobicContact CD1-CD1 4.05Å; F26-L207 HydrophobicContact CD2-CD1 4.14Å; F26-L207 HydrophobicContact CE1-CD1 4.19Å; F26-L207 HydrophobicContact CE2-CD1 4.27Å; F26-L207 HydrophobicContact CG-CD1 4.02Å; F26-L207 HydrophobicContact CZ-CD1 4.29Å; V203-L207 HydrophobicContact CG1-CD1 4.26Å; V203-L207 HydrophobicContact CG1-CG 4.41Å; V203-L207 VanDerWaalsContact O-CG 3.31Å; V203-L207 WeakPolarHBondContact O-CG 3.28Å; V203-L207 PolarHBondContact O-N 2.91Å; L204-L207 WeakPolarHBondContact O-CB 3.45Å; L204-L207 PolarHBondContact O-N 3.25Å; L204-L207 VanDerWaalsContact O-N 3.1Å; G205-L207 PolarHBondContact O-N 2.93Å; L207-V209 PolarHBondContact O-N 2.92Å; L207-V210 PolarHBondContact O-N 3.07Å; L207-F211 VanDerWaalsContact O-CB 3.29Å; L207-F211 WeakPolarHBondContact O-CB 3.25Å; L207-F211 PolarHBondContact O-N 3.1Å
208	L	98.9	Very high	98.6	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-62.9	-41.1	176.2	-59.5	-179.1	0	0	0	111.8	A23 V55 I59 I171 A174 I178 L204 G205 L206 G212	A23-L208 HydrophobicContact CB-CD2 3.9Å; V55-L208 HydrophobicContact CG1-CD2 3.98Å; V55-L208 HydrophobicContact CG2-CD1 4.21Å; V55-L208 HydrophobicContact CG2-CD2 4.19Å; I59-L208 HydrophobicContact CD1-CD1 3.83Å; I59-L208 HydrophobicContact CD1-CD2 3.94Å; I59-L208 HydrophobicContact CD1-CG 4.31Å; I59-L208 HydrophobicContact CG2-CD2 4.23Å; I171-L208 HydrophobicContact CG2-CB 4.46Å; A174-L208 HydrophobicContact CB-CD1 4.42Å; I178-L208 HydrophobicContact CD1-CD1 3.84Å; L204-L208 HydrophobicContact CD1-CD2 4.21Å; L204-L208 HydrophobicContact CD1-CG 4.28Å; L204-L208 WeakPolarHBondContact O-CG 3.49Å; L204-L208 PolarHBondContact O-N 3.3Å; G205-L208 PolarHBondContact O-N 3.23Å; L206-L208 VanDerWaalsContact C-N 3.31Å; L206-L208 PolarHBondContact O-N 2.91Å; L208-G212 PolarHBondContact O-N 3.38Å
209	V	98.9	Very high	98.5	Very high	71 Å²	71	40 Å²	40	43%	0.43	22%	0.219	S	C	.	.	H	α-helix	trans	-64.5	-47.1	175.9	174.8	0	0	0	0	111.3	L175 G205 L206 L207 F211 G212 A213	L175-V209 HydrophobicContact CD1-CG2 3.68Å; L175-V209 HydrophobicContact CD2-CG2 4.38Å; G205-V209 PolarHBondContact O-N 3.28Å; G205-V209 VanDerWaalsContact O-N 3.17Å; L206-V209 PolarHBondContact O-N 3.17Å; L207-V209 PolarHBondContact O-N 2.92Å; V209-F211 PolarHBondContact O-N 3.24Å; V209-G212 PolarHBondContact O-N 3.28Å; V209-A213 WeakPolarHBondContact O-CB 3.2Å; V209-A213 PolarHBondContact O-N 2.93Å
210	V	98.8	Very high	98.4	Very high	73 Å²	73	39.8 Å²	39.8	44%	0.442	22%	0.223	S	C	.	.	H	α-helix	trans	-62.5	-43.8	178.6	172.5	0	0	0	0	110.8	V19 L206 L207 A213 L214	V19-V210 HydrophobicContact CG1-CB 4.32Å; V19-V210 HydrophobicContact CG1-CG1 4.18Å; V19-V210 HydrophobicContact CG2-CG1 4.24Å; L206-V210 WeakPolarHBondContact O-CG2 3.44Å; L206-V210 PolarHBondContact O-N 3Å; L207-V210 PolarHBondContact O-N 3.07Å; V210-A213 PolarHBondContact O-N 2.9Å; V210-L214 HydrophobicContact CG1-CD1 4.01Å; V210-L214 WeakPolarHBondContact O-CG 3.3Å; V210-L214 PolarHBondContact O-N 3.31Å
211	F	98.9	Very high	98.2	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.018	23%	0.232	C	C	.	.	H	α-helix	trans	-57.7	-49.7	174	175.7	-102	0	0	0	111.2	A16 V19 I59 F60 F167 L207 V209 A213 L214 I215	A16-F211 VanDerWaalsContact O-CD2 3.28Å; A16-F211 WeakPolarHBondContact O-CD2 3.29Å; A16-F211 WeakPolarHBondContact O-CE2 3.28Å; V19-F211 HydrophobicContact CG1-CB 3.95Å; I59-F211 HydrophobicContact CG2-CD1 3.55Å; I59-F211 HydrophobicContact CG2-CE1 3.7Å; I59-F211 WeakPolarHBondContact O-CE1 3.37Å; F60-F211 AromaticContact CD2-CE2 3.99Å; F60-F211 HydrophobicContact CD2-CE2 3.99Å; F60-F211 HydrophobicContact CD2-CZ 4.03Å; F60-F211 HydrophobicContact CE2-CE2 4.45Å; F167-F211 HydrophobicContact CE2-CE1 4.14Å; F167-F211 HydrophobicContact CZ-CD1 4.15Å; F167-F211 AromaticContact CZ-CE1 3.86Å; F167-F211 HydrophobicContact CZ-CE1 3.86Å; L207-F211 VanDerWaalsContact O-CB 3.29Å; L207-F211 WeakPolarHBondContact O-CB 3.25Å; L207-F211 PolarHBondContact O-N 3.1Å; V209-F211 PolarHBondContact O-N 3.24Å; F211-A213 VanDerWaalsContact C-N 3.34Å; F211-A213 PolarHBondContact O-N 3.43Å; F211-L214 PolarHBondContact O-N 2.65Å; F211-I215 HydrophobicContact CD1-CG1 4.24Å; F211-I215 HydrophobicContact CD2-CG1 4.29Å; F211-I215 HydrophobicContact CE1-CG1 3.78Å; F211-I215 HydrophobicContact CE2-CD1 3.96Å; F211-I215 HydrophobicContact CE2-CG1 3.85Å; F211-I215 HydrophobicContact CG-CG1 4.48Å; F211-I215 HydrophobicContact CZ-CD1 3.86Å; F211-I215 HydrophobicContact CZ-CG1 3.58Å; F211-I215 WeakPolarHBondContact O-CG1 3.32Å; F211-I215 PolarHBondContact O-N 3.01Å
212	G	98.8	Very high	97.9	Very high	3 Å²	3	46.7 Å²	46.7	3%	0.031	27%	0.266	C	S	.	.	H	α-helix	trans	-55.4	-47.8	176.8	0	0	0	0	0	112.8	I171 L208 V209 L214 I215 L216	I171-G212 VanDerWaalsContact CD1-CA 3.44Å; L208-G212 PolarHBondContact O-N 3.38Å; V209-G212 PolarHBondContact O-N 3.28Å; G212-L214 PolarHBondContact O-N 3.44Å; G212-I215 PolarHBondContact O-N 2.85Å; G212-L216 WeakPolarHBondContact O-CB 3.39Å; G212-L216 VanDerWaalsContact O-CG 3.3Å; G212-L216 WeakPolarHBondContact O-CG 3.47Å; G212-L216 PolarHBondContact O-N 3.39Å
213	A	98.8	Very high	97.4	Very high	58 Å²	58	46 Å²	46	48%	0.479	27%	0.266	S	S	.	.	H	α-helix	trans	-61	-42.1	178.4	0	0	0	0	0	112.5	V209 V210 F211 L216 W217	V209-A213 WeakPolarHBondContact O-CB 3.2Å; V209-A213 PolarHBondContact O-N 2.93Å; V210-A213 PolarHBondContact O-N 2.9Å; F211-A213 VanDerWaalsContact C-N 3.34Å; F211-A213 PolarHBondContact O-N 3.43Å; A213-L216 PolarHBondContact O-N 3.1Å; A213-W217 WeakPolarHBondContact O-CB 3.16Å; A213-W217 PolarHBondContact O-N 3.12Å
214	L	98.6	Very high	97.1	Very high	36 Å²	36	43.3 Å²	43.3	19%	0.188	25%	0.25	C	C	.	.	H	α-helix	trans	-65.1	-45.2	176.9	-70.7	167.3	0	0	0	111.8	A15 A16 V19 V210 F211 G212 L216 W217 I218	A15-L214 HydrophobicContact CB-CD1 4.05Å; A15-L214 HydrophobicContact CB-CD2 4.44Å; A16-L214 HydrophobicContact CB-CB 3.96Å; A16-L214 HydrophobicContact CB-CD1 4.38Å; V19-L214 HydrophobicContact CG2-CD1 4.27Å; V210-L214 HydrophobicContact CG1-CD1 4.01Å; V210-L214 WeakPolarHBondContact O-CG 3.3Å; V210-L214 PolarHBondContact O-N 3.31Å; F211-L214 PolarHBondContact O-N 2.65Å; G212-L214 PolarHBondContact O-N 3.44Å; L214-L216 PolarHBondContact O-N 3.39Å; L214-W217 PolarHBondContact O-N 2.89Å; L214-I218 VanDerWaalsContact O-CG1 3.29Å; L214-I218 WeakPolarHBondContact O-CG1 3.35Å; L214-I218 PolarHBondContact O-N 3.14Å
215	I	98.7	Very high	96.8	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.01	28%	0.28	C	S	.	.	H	α-helix	trans	-60.2	-46.5	175.8	-67.7	-58.2	0	0	0	110.6	A16 I66 I67 F167 F211 G212 W217 I218 A219	A16-I215 HydrophobicContact CB-CD1 4.14Å; I66-I215 HydrophobicContact CB-CG2 4.44Å; I66-I215 HydrophobicContact CG2-CG2 4.19Å; I67-I215 HydrophobicContact CD1-CD1 3.73Å; I67-I215 HydrophobicContact CG1-CD1 4.27Å; I67-I215 HydrophobicContact CG2-CD1 4.34Å; I67-I215 HydrophobicContact CG2-CG2 4.08Å; F167-I215 HydrophobicContact CD1-CG2 4.19Å; F167-I215 HydrophobicContact CE1-CB 3.73Å; F167-I215 HydrophobicContact CE1-CG1 4.42Å; F167-I215 HydrophobicContact CE1-CG2 3.52Å; F167-I215 HydrophobicContact CZ-CB 3.89Å; F167-I215 HydrophobicContact CZ-CG1 4.07Å; F167-I215 HydrophobicContact CZ-CG2 3.81Å; F211-I215 HydrophobicContact CD1-CG1 4.24Å; F211-I215 HydrophobicContact CD2-CG1 4.29Å; F211-I215 HydrophobicContact CE1-CG1 3.78Å; F211-I215 HydrophobicContact CE2-CD1 3.96Å; F211-I215 HydrophobicContact CE2-CG1 3.85Å; F211-I215 HydrophobicContact CG-CG1 4.48Å; F211-I215 HydrophobicContact CZ-CD1 3.86Å; F211-I215 HydrophobicContact CZ-CG1 3.58Å; F211-I215 WeakPolarHBondContact O-CG1 3.32Å; F211-I215 PolarHBondContact O-N 3.01Å; G212-I215 PolarHBondContact O-N 2.85Å; I215-W217 PolarHBondContact O-N 3.2Å; I215-I218 PolarHBondContact O-N 3.38Å; I215-A219 WeakPolarHBondContact O-CB 3.18Å; I215-A219 PolarHBondContact O-N 3.38Å
216	L	98.5	Very high	96.4	Very high	48 Å²	48	51.6 Å²	51.6	25%	0.251	28%	0.283	S	S	.	.	H	α-helix	trans	-63.5	-41.3	178.2	-71.8	175.1	0	0	0	112.2	L164 F167 G212 A213 L214 I218 A219 T220	L164-L216 HydrophobicContact CB-CD2 4.25Å; L164-L216 HydrophobicContact CD2-CD2 4.05Å; F167-L216 HydrophobicContact CD1-CD2 4.32Å; F167-L216 HydrophobicContact CD1-CG 4.49Å; G212-L216 WeakPolarHBondContact O-CB 3.39Å; G212-L216 VanDerWaalsContact O-CG 3.3Å; G212-L216 WeakPolarHBondContact O-CG 3.47Å; G212-L216 PolarHBondContact O-N 3.39Å; A213-L216 PolarHBondContact O-N 3.1Å; L214-L216 PolarHBondContact O-N 3.39Å; L216-I218 PolarHBondContact O-N 2.99Å; L216-A219 PolarHBondContact O-N 3.14Å; L216-T220 WeakPolarHBondContact O-CB 3.24Å; L216-T220 VanDerWaalsContact O-CG2 3.3Å; L216-T220 WeakPolarHBondContact O-CG2 3.28Å; L216-T220 PolarHBondContact O-N 2.83Å; L216-T220 PolarHBondContact O-OG1 2.97Å
217	W	97.7	Very high	95.9	Very high	126 Å²	126	47.4 Å²	47.4	48%	0.477	26%	0.262	S	S	.	.	H	α-helix	trans	-58	-50.2	174.2	-176.4	-55.5	0	0	0	110.6	A213 L214 I215 A219 T220 R221 W224	A213-W217 WeakPolarHBondContact O-CB 3.16Å; A213-W217 PolarHBondContact O-N 3.12Å; L214-W217 PolarHBondContact O-N 2.89Å; I215-W217 PolarHBondContact O-N 3.2Å; W217-A219 VanDerWaalsContact C-N 3.31Å; W217-A219 PolarHBondContact O-N 3.4Å; W217-T220 PolarHBondContact O-N 3.08Å; W217-T220 PolarHBondContact O-OG1 3.2Å; W217-R221 VanDerWaalsContact NE1-NE 3.14Å; W217-R221 VanDerWaalsContact O-CG 3.24Å; W217-R221 WeakPolarHBondContact O-CG 3.24Å; W217-R221 PolarHBondContact O-N 3.42Å; W217-W224 AromaticContact CD1-CH2 3.97Å; W217-W224 AromaticContact CD1-CZ3 3.77Å; W217-W224 AromaticContact NE1-CH2 3.84Å
218	I	97.6	Very high	95	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-61	-45.2	178	-64	162.9	0	0	0	110.2	F9 A12 A16 I67 R70 L214 I215 L216 T220 W224	F9-I218 HydrophobicContact CD2-CG2 4.5Å; F9-I218 HydrophobicContact CE2-CG2 3.91Å; A12-I218 HydrophobicContact CB-CD1 4.15Å; A12-I218 HydrophobicContact CB-CG1 3.98Å; A16-I218 HydrophobicContact CB-CD1 4.23Å; I67-I218 HydrophobicContact CB-CG2 3.91Å; I67-I218 HydrophobicContact CD1-CD1 4.12Å; I67-I218 HydrophobicContact CD1-CG2 4.36Å; I67-I218 HydrophobicContact CG2-CB 3.95Å; I67-I218 HydrophobicContact CG2-CG2 3.65Å; R70-I218 HydrophobicContact CB-CG2 4.41Å; R70-I218 WeakPolarHBondContact CD-O 3.38Å; R70-I218 PolarHBondContact NE-O 3.29Å; R70-I218 PolarHBondContact NH1-O 2.95Å; L214-I218 VanDerWaalsContact O-CG1 3.29Å; L214-I218 WeakPolarHBondContact O-CG1 3.35Å; L214-I218 PolarHBondContact O-N 3.14Å; I215-I218 PolarHBondContact O-N 3.38Å; L216-I218 PolarHBondContact O-N 2.99Å; I218-T220 VanDerWaalsContact C-N 3.26Å; I218-T220 PolarHBondContact O-N 3.04Å; I218-W224 HydrophobicContact CB-CE3 4.32Å; I218-W224 HydrophobicContact CB-CZ3 4.21Å; I218-W224 HydrophobicContact CG1-CE3 4.41Å; I218-W224 HydrophobicContact CG1-CZ3 3.88Å; I218-W224 HydrophobicContact CG2-CE3 4.16Å; I218-W224 HydrophobicContact CG2-CZ3 4.46Å
219	A	97.3	Very high	93.4	Very high	10 Å²	10	51.6 Å²	51.6	8%	0.083	29%	0.289	C	S	.	.	H	α-helix	trans	-68	-18.5	-175.8	0	0	0	0	0	114.6	I66 I67 R70 L164 I215 L216 W217	I66-A219 HydrophobicContact CG2-CB 3.75Å; I67-A219 HydrophobicContact CG2-CB 4.22Å; R70-A219 VanDerWaalsContact NE-CA 3.32Å; R70-A219 PolarHBondContact NE-O 3.01Å; R70-A219 PolarHBondContact NH2-O 3.01Å; L164-A219 HydrophobicContact CD2-CB 3.77Å; I215-A219 WeakPolarHBondContact O-CB 3.18Å; I215-A219 PolarHBondContact O-N 3.38Å; L216-A219 PolarHBondContact O-N 3.14Å; W217-A219 VanDerWaalsContact C-N 3.31Å; W217-A219 PolarHBondContact O-N 3.4Å
220	T	96.3	Very high	91.3	Very high	93 Å²	93	56.1 Å²	56.1	57%	0.571	31%	0.305	S	S	*	.	H	α-helix	trans	-109.5	-11.8	-176.2	54.4	0	0	0	0	113.7	L164 L216 W217 I218 A222	L164-T220 HydrophobicContact CD1-CG2 4.33Å; L216-T220 WeakPolarHBondContact O-CB 3.24Å; L216-T220 VanDerWaalsContact O-CG2 3.3Å; L216-T220 WeakPolarHBondContact O-CG2 3.28Å; L216-T220 PolarHBondContact O-N 2.83Å; L216-T220 PolarHBondContact O-OG1 2.97Å; W217-T220 PolarHBondContact O-N 3.08Å; W217-T220 PolarHBondContact O-OG1 3.2Å; I218-T220 VanDerWaalsContact C-N 3.26Å; I218-T220 PolarHBondContact O-N 3.04Å; T220-A222 PolarHBondContact O-N 3.33Å
221	R	93.9	Very high	89.3	Confident	94 Å²	94	56.9 Å²	56.9	36%	0.355	31%	0.306	S	S	.	.			trans	-66.1	114.5	175.2	-78.2	-82.1	179.2	175.5	-1	111.7	R70 W217 S223 W224	R70-R221 PolarHBondContact NH1-O 3.4Å; W217-R221 VanDerWaalsContact NE1-NE 3.14Å; W217-R221 VanDerWaalsContact O-CG 3.24Å; W217-R221 WeakPolarHBondContact O-CG 3.24Å; W217-R221 PolarHBondContact O-N 3.42Å; R221-S223 VanDerWaalsContact C-N 3.34Å; R221-S223 PolarHBondContact O-N 3.07Å; R221-W224 HydrophobicContact CB-CB 4.26Å; R221-W224 HydrophobicContact CB-CD2 3.62Å; R221-W224 HydrophobicContact CB-CE3 3.46Å; R221-W224 VanDerWaalsContact CB-CE3 3.46Å; R221-W224 HydrophobicContact CB-CG 3.99Å; R221-W224 HydrophobicContact CB-CZ3 4.11Å; R221-W224 HydrophobicContact CG-CD2 4.02Å; R221-W224 HydrophobicContact CG-CE3 3.64Å; R221-W224 HydrophobicContact CG-CH2 4.15Å; R221-W224 HydrophobicContact CG-CZ2 4.46Å; R221-W224 HydrophobicContact CG-CZ3 3.74Å; R221-W224 PolarHBondContact O-N 3.1Å
222	A	90.8	Very high	87.3	Confident	87 Å²	87	58.1 Å²	58.1	72%	0.719	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-61.7	-40.3	179.2	0	0	0	0	0	112.7	T220 W224 K225	T220-A222 PolarHBondContact O-N 3.33Å; A222-W224 PolarHBondContact O-N 3.1Å; A222-W224 VanDerWaalsContact O-N 3.14Å; A222-K225 VanDerWaalsContact O-CB 3.28Å; A222-K225 WeakPolarHBondContact O-CB 3.38Å; A222-K225 PolarHBondContact O-N 3.12Å; A222-K225 VanDerWaalsContact O-N 3.09Å
223	S	89.9	Confident	85.1	Confident	47 Å²	47	64.6 Å²	64.6	33%	0.329	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-62.8	-18.2	179.4	58.1	0	0	0	0	114.5	R221	R221-S223 VanDerWaalsContact C-N 3.34Å; R221-S223 PolarHBondContact O-N 3.07Å
224	W	92.4	Very high	82.8	Confident	1 Å²	1	64.6 Å²	64.6	0%	0.004	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-103.6	6.1	179.7	-54.8	-23.1	0	0	0	112.8	M3 Q8 F9 A12 R70 W217 I218 R221 A222	M3-W224 HydrophobicContact CE-CB 4Å; M3-W224 HydrophobicContact CE-CG 4.15Å; M3-W224 VanDerWaalsContact SD-CD1 3.53Å; M3-W224 HydrophobicContact SD-CG 4.15Å; Q8-W224 HydrophobicContact CB-CZ2 4.33Å; Q8-W224 HydrophobicContact CG-CZ2 4.21Å; F9-W224 HydrophobicContact CB-CD2 4.2Å; F9-W224 HydrophobicContact CB-CH2 4.44Å; F9-W224 HydrophobicContact CB-CZ2 3.93Å; F9-W224 HydrophobicContact CD2-CB 4.21Å; F9-W224 AromaticContact CD2-CD2 3.61Å; F9-W224 HydrophobicContact CD2-CD2 3.61Å; F9-W224 AromaticContact CD2-CE3 3.67Å; F9-W224 HydrophobicContact CD2-CE3 3.67Å; F9-W224 AromaticContact CD2-CG 3.85Å; F9-W224 HydrophobicContact CD2-CG 3.85Å; F9-W224 HydrophobicContact CD2-CZ3 4.19Å; F9-W224 HydrophobicContact CE2-CE3 4.38Å; F9-W224 HydrophobicContact CG-CD2 4.39Å; A12-W224 HydrophobicContact CB-CH2 4.23Å; A12-W224 HydrophobicContact CB-CZ3 4.44Å; R70-W224 WeakPolarHBondContact CA-O 3.49Å; R70-W224 WeakPolarHBondContact CB-O 3.25Å; R70-W224 PolarHBondContact NH1-O 3.33Å; W217-W224 AromaticContact CD1-CH2 3.97Å; W217-W224 AromaticContact CD1-CZ3 3.77Å; W217-W224 AromaticContact NE1-CH2 3.84Å; I218-W224 HydrophobicContact CB-CE3 4.32Å; I218-W224 HydrophobicContact CB-CZ3 4.21Å; I218-W224 HydrophobicContact CG1-CE3 4.41Å; I218-W224 HydrophobicContact CG1-CZ3 3.88Å; I218-W224 HydrophobicContact CG2-CE3 4.16Å; I218-W224 HydrophobicContact CG2-CZ3 4.46Å; R221-W224 HydrophobicContact CB-CB 4.26Å; R221-W224 HydrophobicContact CB-CD2 3.62Å; R221-W224 HydrophobicContact CB-CE3 3.46Å; R221-W224 VanDerWaalsContact CB-CE3 3.46Å; R221-W224 HydrophobicContact CB-CG 3.99Å; R221-W224 HydrophobicContact CB-CZ3 4.11Å; R221-W224 HydrophobicContact CG-CD2 4.02Å; R221-W224 HydrophobicContact CG-CE3 3.64Å; R221-W224 HydrophobicContact CG-CH2 4.15Å; R221-W224 HydrophobicContact CG-CZ2 4.46Å; R221-W224 HydrophobicContact CG-CZ3 3.74Å; R221-W224 PolarHBondContact O-N 3.1Å; A222-W224 PolarHBondContact O-N 3.1Å; A222-W224 VanDerWaalsContact O-N 3.14Å
225	K	92.2	Very high	80.6	Confident	146 Å²	146	67.2 Å²	67.2	64%	0.635	36%	0.356	S	S	*	.	S	Bend	trans	-70.8	140.1	177.8	-173.4	173.9	179.4	178.3	0	109	A222	A222-K225 VanDerWaalsContact O-CB 3.28Å; A222-K225 WeakPolarHBondContact O-CB 3.38Å; A222-K225 PolarHBondContact O-N 3.12Å; A222-K225 VanDerWaalsContact O-N 3.09Å
226	R	90.4	Very high	78.5	Confident	36 Å²	36	73 Å²	73	14%	0.136	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-52.7	127.3	173.3	-172.4	174.4	170.6	152.6	6.1	109.8	Y69 W75 C77	Y69-R226 WeakPolarHBondContact O-CB 3.05Å; W75-R226 HydrophobicContact CG-CG 4.46Å; C77-R226 PolarHBondContact O-NH2 3.23Å
227	P	87.1	Confident	76.3	Confident	27 Å²	27	75.3 Å²	75.3	18%	0.175	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-57.9	145	176.1	-22.8	31.9	0	0	0	111.6	M1 W75	M1-P227 HydrophobicContact CE-CB 3.75Å; M1-P227 HydrophobicContact CE-CG 3.81Å; M1-P227 HydrophobicContact SD-CB 3.81Å; M1-P227 HydrophobicContact SD-CG 3.2Å; M1-P227 WeakPolarHBondContact SD-CG 3.32Å; W75-P227 HydrophobicContact CD2-CG 4.11Å; W75-P227 HydrophobicContact CE3-CG 3.94Å; W75-P227 HydrophobicContact CZ3-CG 4.27Å
228	S	79.9	Confident	73.9	Confident	50 Å²	50	74.9 Å²	74.9	35%	0.35	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-71.4	149.8	172.6	68.1	0	0	0	0	110.4	Q230 I231 A232	S228-Q230 PolarHBondContact O-N 3.42Å; S228-Q230 VanDerWaalsContact O-N 3.16Å; S228-I231 PolarHBondContact O-N 3.09Å; S228-I231 VanDerWaalsContact O-N 3.14Å; S228-I231 WeakPolarHBondContact OG-CD1 3.42Å; S228-I231 VanDerWaalsContact OG-CG1 3.3Å; S228-I231 WeakPolarHBondContact OG-CG1 3.24Å; S228-I231 PolarHBondContact OG-N 2.83Å; S228-A232 PolarHBondContact O-N 3.1Å; S228-A232 VanDerWaalsContact O-N 3.07Å
229	D	65.2	Low	71.4	Confident	72 Å²	72	84.2 Å²	84.2	39%	0.385	44%	0.441	S	S	.	.	H	α-helix	trans	-60.4	-28.3	-178.5	-52.8	-52.9	0	0	0	111.4	K79 H233	K79-D229 IonicContact NZ-OD2 3.84Å; K79-D229 PolarHBondContact NZ-OD2 2.86Å; D229-H233 PolarHBondContact O-CD2 3.43Å; D229-H233 VanDerWaalsContact O-CD2 3.22Å; D229-H233 PolarHBondContact O-N 3.34Å; D229-H233 VanDerWaalsContact O-N 3.14Å
230	Q	55.5	Low	68.8	Low	166 Å²	166	86.4 Å²	86.4	78%	0.776	47%	0.465	S	S	*	.	H	α-helix	trans	-72.9	-37.1	176.5	-68.7	175.7	-33.1	0	0	113.9	S228 S234	S228-Q230 PolarHBondContact O-N 3.42Å; S228-Q230 VanDerWaalsContact O-N 3.16Å; Q230-S234 PolarHBondContact O-N 3.47Å; Q230-S234 PolarHBondContact O-OG 2.84Å
231	I	57.9	Low	66.2	Low	89 Å²	89	84.2 Å²	84.2	46%	0.456	46%	0.461	S	S	.	.	H	α-helix	trans	-73	-34.4	175.3	-66.6	169.9	0	0	0	110	S228 S234 L235	S228-I231 PolarHBondContact O-N 3.09Å; S228-I231 VanDerWaalsContact O-N 3.14Å; S228-I231 WeakPolarHBondContact OG-CD1 3.42Å; S228-I231 VanDerWaalsContact OG-CG1 3.3Å; S228-I231 WeakPolarHBondContact OG-CG1 3.24Å; S228-I231 PolarHBondContact OG-N 2.83Å; I231-S234 WeakPolarHBondContact CA-OG 3.33Å; I231-S234 PolarHBondContact O-OG 2.87Å; I231-L235 HydrophobicContact CG2-CD1 3.76Å; I231-L235 HydrophobicContact CG2-CG 4.45Å; I231-L235 WeakPolarHBondContact O-CB 3.33Å; I231-L235 WeakPolarHBondContact O-CD1 3.37Å; I231-L235 WeakPolarHBondContact O-CG 3.38Å; I231-L235 PolarHBondContact O-N 3.46Å
232	A	55.5	Low	63.8	Low	30 Å²	30	87 Å²	87	25%	0.248	48%	0.478	C	S	.	.	H	α-helix	trans	-62.1	-45.5	174	0	0	0	0	0	111.7	S228 H236	S228-A232 PolarHBondContact O-N 3.1Å; S228-A232 VanDerWaalsContact O-N 3.07Å; A232-H236 PolarHBondContact O-CD2 2.88Å; A232-H236 VanDerWaalsContact O-CD2 3.25Å; A232-H236 PolarHBondContact O-N 3.43Å; A232-H236 VanDerWaalsContact O-N 3.16Å
233	H	52.3	Low	61.4	Low	139 Å²	139	90.1 Å²	90.1	64%	0.644	48%	0.483	S	S	*	.	H	α-helix	trans	-65.8	-44	178.7	-84.9	-66.4	0	0	0	113.7	D229 L235 H236 T237	D229-H233 PolarHBondContact O-CD2 3.43Å; D229-H233 VanDerWaalsContact O-CD2 3.22Å; D229-H233 PolarHBondContact O-N 3.34Å; D229-H233 VanDerWaalsContact O-N 3.14Å; H233-L235 PolarHBondContact O-N 2.89Å; H233-H236 PolarHBondContact O-N 3.41Å; H233-T237 PolarHBondContact O-N 3.44Å; H233-T237 PolarHBondContact O-OG1 3.09Å
234	S	50.2	Low	59.2	Low	58 Å²	58	95.4 Å²	95.4	41%	0.406	51%	0.507	S	S	.	.	H	α-helix	trans	-66.6	-34.1	-179.7	47.4	0	0	0	0	113.9	Q230 I231 T237 N238	Q230-S234 PolarHBondContact O-N 3.47Å; Q230-S234 PolarHBondContact O-OG 2.84Å; I231-S234 WeakPolarHBondContact CA-OG 3.33Å; I231-S234 PolarHBondContact O-OG 2.87Å; S234-T237 WeakPolarHBondContact CA-OG1 3.43Å; S234-T237 PolarHBondContact O-OG1 3.34Å; S234-N238 PolarHBondContact O-N 2.93Å; S234-N238 VanDerWaalsContact O-N 3.12Å
235	L	53.5	Low	56.6	Low	91 Å²	91	99.7 Å²	99.7	48%	0.476	54%	0.537	S	S	.	.	H	α-helix	trans	-73.3	-34.2	173.9	-72.4	167.6	0	0	0	112.5	M1 I231 H233 R239	M1-L235 HydrophobicContact CE-CD1 3.72Å; I231-L235 HydrophobicContact CG2-CD1 3.76Å; I231-L235 HydrophobicContact CG2-CG 4.45Å; I231-L235 WeakPolarHBondContact O-CB 3.33Å; I231-L235 WeakPolarHBondContact O-CD1 3.37Å; I231-L235 WeakPolarHBondContact O-CG 3.38Å; I231-L235 PolarHBondContact O-N 3.46Å; H233-L235 PolarHBondContact O-N 2.89Å; L235-R239 WeakPolarHBondContact O-CB 3.27Å; L235-R239 PolarHBondContact O-N 3.39Å
236	H	53.6	Low	54	Low	124 Å²	124	102.8 Å²	102.8	57%	0.574	55%	0.55	S	S	*	*	H	α-helix	trans	-67.6	-38.8	173.6	-92.7	-81.7	0	0	0	112.1	A232 H233 G240	A232-H236 PolarHBondContact O-CD2 2.88Å; A232-H236 VanDerWaalsContact O-CD2 3.25Å; A232-H236 PolarHBondContact O-N 3.43Å; A232-H236 VanDerWaalsContact O-N 3.16Å; H233-H236 PolarHBondContact O-N 3.41Å; H236-G240 PolarHBondContact O-N 2.7Å; H236-G240 VanDerWaalsContact O-N 3.12Å
237	T	53.3	Low	51.4	Low	95 Å²	95	106 Å²	106	58%	0.583	59%	0.585	S	S	*	*	H	α-helix	trans	-67.6	-38.8	174.9	48.1	0	0	0	0	112.5	H233 S234 G240 G241	H233-T237 PolarHBondContact O-N 3.44Å; H233-T237 PolarHBondContact O-OG1 3.09Å; S234-T237 WeakPolarHBondContact CA-OG1 3.43Å; S234-T237 PolarHBondContact O-OG1 3.34Å; T237-G240 PolarHBondContact O-N 3.44Å; T237-G241 PolarHBondContact O-N 3.32Å
238	N	46.5	Very low	48.7	Very low	117 Å²	117	108.3 Å²	108.3	63%	0.626	61%	0.614	S	S	*	*	H	α-helix	trans	-69.4	-40.1	176.6	-88.2	0.4	0	0	0	112.7	S234 G240 G241 E242	S234-N238 PolarHBondContact O-N 2.93Å; S234-N238 VanDerWaalsContact O-N 3.12Å; N238-G240 VanDerWaalsContact C-N 3.3Å; N238-G240 PolarHBondContact O-N 2.84Å; N238-G241 PolarHBondContact O-N 2.98Å; N238-G241 VanDerWaalsContact O-N 3.14Å; N238-E242 PolarHBondContact O-N 2.83Å
239	R	46.5	Very low	46.9	Very low	196 Å²	196	112.3 Å²	112.3	74%	0.74	64%	0.639	S	S	*	*	H	α-helix	trans	-68.4	-28.5	177.3	-166.4	175.6	-173.2	-177.1	2.4	113.1	L235 G241	L235-R239 WeakPolarHBondContact O-CB 3.27Å; L235-R239 PolarHBondContact O-N 3.39Å; R239-G241 VanDerWaalsContact C-N 3.34Å
240	G	42	Very low	45.2	Very low	57 Å²	57	114.1 Å²	114.1	59%	0.588	66%	0.664	S	S	*	*	H	α-helix	trans	-78.4	-15.1	172.5	0	0	0	0	0	114.4	H236 T237 N238	H236-G240 PolarHBondContact O-N 2.7Å; H236-G240 VanDerWaalsContact O-N 3.12Å; T237-G240 PolarHBondContact O-N 3.44Å; N238-G240 VanDerWaalsContact C-N 3.3Å; N238-G240 PolarHBondContact O-N 2.84Å
241	G	41.6	Very low	44	Very low	46 Å²	46	115.3 Å²	115.3	47%	0.474	67%	0.671	S	S	.	*	H	α-helix	trans	-88.1	-23.9	178.3	0	0	0	0	0	114.4	T237 N238 R239	T237-G241 PolarHBondContact O-N 3.32Å; N238-G241 PolarHBondContact O-N 2.98Å; N238-G241 VanDerWaalsContact O-N 3.14Å; R239-G241 VanDerWaalsContact C-N 3.34Å
242	E	42.9	Very low	42.8	Very low	153 Å²	153	115.8 Å²	115.8	72%	0.715	68%	0.683	S	S	*	*	G	3₁₀ helix	trans	-81.2	-18.2	-177.5	-73.2	-180	146.9	0	0	114	N238 N244	N238-E242 PolarHBondContact O-N 2.83Å; E242-N244 VanDerWaalsContact C-N 3.33Å; E242-N244 PolarHBondContact O-N 2.95Å
243	D	41.5	Very low	41.6	Very low	153 Å²	153	122.5 Å²	122.5	82%	0.818	71%	0.709	S	S	*	*	G	3₁₀ helix	trans	-83.3	-3.3	178.4	-87.6	-14.7	0	0	0	114.2
244	N	42.6	Very low	40.5	Very low	158 Å²	158	122.5 Å²	122.5	85%	0.845	71%	0.713	S	S	*	*	G	3₁₀ helix	trans	-111.9	18.5	-176.2	-128.7	22.3	0	0	0	114.9	E242	E242-N244 VanDerWaalsContact C-N 3.33Å; E242-N244 PolarHBondContact O-N 2.95Å
245	S	38.1	Very low	39.6	Very low	90 Å²	90	128.2 Å²	128.2	63%	0.629	73%	0.733	S	S	*	*			trans	-134.2	52.2	-177.9	52.2	0	0	0	0	113.6
246	K	39	Very low	38.5	Very low	211 Å²	211	131.9 Å²	131.9	92%	0.917	75%	0.754	S	S	*	*			trans	-140	83.7	160.2	-77.3	-168.1	178.4	175.5	0	112.3
247	A	34.1	Very low	37.3	Very low	103 Å²	103	129.2 Å²	129.2	85%	0.851	76%	0.759	S	S	*	*			trans	-139.9	113.1	145.3	0	0	0	0	0	106.6
248	G	31.2	Very low	36.2	Very low	77 Å²	77	129.1 Å²	129.1	79%	0.794	77%	0.768	S	S	*	*			trans	-77.3	176.4	-168.4	0	0	0	0	0	115
249	P	41.1	Very low	35.3	Very low	134 Å²	134	128.6 Å²	128.6	87%	0.87	77%	0.774	S	S	*	*			trans	-90.4	145.6	-174.4	35.7	-30.6	0	0	0	111.6
250	A	30.4	Very low	34.4	Very low	110 Å²	110	124.5 Å²	124.5	91%	0.909	77%	0.774	S	S	*	*			trans	-131.2	130.9	161.6	0	0	0	0	0	109
251	M	30.6	Very low	33.9	Very low	190 Å²	190	129.6 Å²	129.6	94%	0.936	78%	0.782	S	S	*	*			trans	-123.7	134.3	-173.9	174.3	167	175.3	0	0	107.9
252	S	31.5	Very low	33.3	Very low	99 Å²	99	133.3 Å²	133.3	69%	0.692	80%	0.796	S	S	*	*			trans	-176.4	113.8	153.1	57.5	0	0	0	0	108.2
253	E	31.4	Very low	32.8	Very low	172 Å²	172	134 Å²	134	80%	0.804	80%	0.804	S	S	*	*				77.7	136.1	110.3	-74.9	-172.9	157.2	0	0	113.2
254	L	28	Very low	32.3	Very low	139 Å²	139	129.8 Å²	129.8	73%	0.728	80%	0.798	S	S	*	*			cis	-165.5	167.5	21	-114.3	157.5	0	0	0	109.4
255	E	32.3	Very low	32	Very low	177 Å²	177	129.9 Å²	129.9	83%	0.827	80%	0.798	S	S	*	*			trans	-60	153.8	-178.3	-59.9	170.4	138.9	0	0	115.5
256	D	29.6	Very low	32.1	Very low	169 Å²	169	131.6 Å²	131.6	90%	0.904	81%	0.805	S	S	*	*				-156.4	135.3	127.2	-138.7	-6.6	0	0	0	110.7
257	G	29.3	Very low	32.2	Very low	67 Å²	67	132.9 Å²	132.9	69%	0.691	80%	0.804	S	S	*	*			trans	-113.9	142.9	179.4	0	0	0	0	0	111.5
258	A	29.5	Very low	32.4	Very low	94 Å²	94	136.9 Å²	136.9	78%	0.777	80%	0.802	S	S	*	*			trans	-174.5	125.3	151	0	0	0	0	0	113.2
259	S	28.4	Very low	32.9	Very low	106 Å²	106	145.2 Å²	145.2	74%	0.741	81%	0.809	S	S	*	*			trans	80.4	131.3	133.1	68.8	0	0	0	0	123.4
260	C	28.3	Very low	32.7	Very low	109 Å²	109	146 Å²	146	74%	0.736	81%	0.806	S	S	*	*			trans	70.1	141.6	147.1	-63.3	0	0	0	0	118
261	E	30.5	Very low	33.1	Very low	165 Å²	165	145.3 Å²	145.3	77%	0.771	80%	0.795	S	S	*	*			cis	-168.7	147	2.3	-120.2	173.8	175.2	0	0	106.6
262	T	29.3	Very low	33.7	Very low	124 Å²	124	149.7 Å²	149.7	76%	0.761	81%	0.808	S	S	*	*			trans	17.8	129.2	147.1	55	0	0	0	0	122
263	D	32.1	Very low	33.8	Very low	166 Å²	166	152.2 Å²	152.2	89%	0.888	81%	0.814	S	S	*	*				160.1	122.4	107.3	-149.2	19.5	0	0	0	107.7
264	G	30.5	Very low	34	Very low	66 Å²	66	151.2 Å²	151.2	68%	0.68	82%	0.815	S	S	*	*				95.4	99.6	89.2	0	0	0	0	0	110.6
265	D	37	Very low	34.3	Very low	160 Å²	160	151.8 Å²	151.8	86%	0.856	82%	0.82	S	S	*	*				161.9	136.1	109.5	-154.8	8.6	0	0	0	112.5
266	V	39.8	Very low	34.4	Very low	126 Å²	126	150.4 Å²	150.4	76%	0.764	82%	0.819	S	S	*	*			trans	-98.5	120.5	179.7	166.9	0	0	0	0	107.7
267	R	40.2	Very low	34.7	Very low	237 Å²	237	149.2 Å²	149.2	89%	0.894	81%	0.814	S	S	*	*			trans	-154.4	107.8	152.4	-146.6	163.2	177.2	145.8	-2.9	116.1
268	K	39.8	Very low	35.1	Very low	188 Å²	188	154.7 Å²	154.7	82%	0.817	82%	0.822	S	S	*	*			trans	-4.8	135.2	145	-73.2	173	171	172.8	0	116.8
269	R	41.4	Very low	35.5	Very low	251 Å²	251	159 Å²	159	95%	0.947	83%	0.825	S	S	*	*				-166.7	138.6	105.5	-108.9	171.4	177.8	170.6	-1.5	114.9
270	N	37.4	Very low	36	Very low	152 Å²	152	163.1 Å²	163.1	81%	0.813	83%	0.832	S	S	*	*			trans	-58	145.2	177.8	-110.2	6.3	0	0	0	116.3
271	S	38.5	Very low	36.7	Very low	95 Å²	95	167.6 Å²	167.6	66%	0.664	84%	0.84	S	S	*	*				29.8	119.6	129.2	70.8	0	0	0	0	120.2
272	K	43.4	Very low	37.2	Very low	281 Å²	281	167.8 Å²	167.8	100%	1.222	85%	0.846	S	S	*	*				-147.4	0	113.9	-115.2	-178.3	-178.1	-178.1	0	109.3

Retrieved 272 of 272 residues in 127.4 ms (Link to these results)

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