A0A3Q0KMI5_SCHMA Loading...

Zinc finger MYND domain-containing protein 10

Plays a role in axonemal structure organization and motility. Involved in axonemal pre-assembly of inner and outer dynein arms (IDA and ODA, respectively) for proper axoneme building for cilia motility. May act by indirectly regulating transcription of dynein proteins.

AlphaFold DB , UniProt , Accession A0A3Q0KMI5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 459 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	80	Confident	90.9	Very high	61 Å²	61	42.8 Å²	42.8	30%	0.3	22%	0.216	S	C	.	.				0	105	0	-164.8	177.8	97.9	0	0	108.3	Y17 L21 K49 I52 L53	M1-Y17 HydrophobicContact CG-CE2 3.84Å; M1-L21 HydrophobicContact SD-CD2 3.65Å; M1-K49 HydrophobicContact CB-CD 4.32Å; M1-K49 HydrophobicContact CE-CB 3.68Å; M1-K49 HydrophobicContact CE-CD 4.39Å; M1-K49 HydrophobicContact CE-CG 4.34Å; M1-K49 WeakPolarHBondContact CE-O 3.36Å; M1-K49 PolarHBondContact O-NZ 3.37Å; M1-I52 HydrophobicContact CE-CB 3.92Å; M1-I52 HydrophobicContact CE-CG2 3.81Å; M1-L53 HydrophobicContact CE-CD2 3.47Å; M1-L53 VanDerWaalsContact CE-CD2 3.47Å; M1-L53 HydrophobicContact CE-CG 3.81Å; M1-L53 HydrophobicContact SD-CD2 3.95Å
2	E	88.4	Confident	91.1	Very high	142 Å²	142	45.8 Å²	45.8	66%	0.664	23%	0.228	S	C	*	.			trans	-118.9	143.2	174.3	-69.3	-177.8	174.6	0	0	108	V4 Y17	E2-V4 PolarHBondContact O-N 3.28Å; E2-Y17 VanDerWaalsContact O-CE2 3.32Å; E2-Y17 WeakPolarHBondContact O-CE2 3.37Å
3	L	92.5	Very high	91.2	Very high	50 Å²	50	51.8 Å²	51.8	26%	0.262	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-66.1	128.1	-177.7	-172.8	72	0	0	0	111.3	I52 H55 D56 M59	L3-I52 HydrophobicContact CB-CG2 4.23Å; L3-I52 HydrophobicContact CD1-CG2 4.36Å; L3-H55 HydrophobicContact CD2-CB 4.45Å; L3-H55 WeakPolarHBondContact CD2-CE1 3Å; L3-H55 VanDerWaalsContact CD2-ND1 3.28Å; L3-H55 WeakPolarHBondContact CD2-ND1 3.38Å; L3-D56 HydrophobicContact CD1-CB 3.7Å; L3-M59 HydrophobicContact CD1-SD 3.94Å; L3-M59 HydrophobicContact CD2-SD 3.63Å; L3-M59 HydrophobicContact CG-SD 3.87Å
4	V	93.7	Very high	91.5	Very high	3 Å²	3	48.1 Å²	48.1	2%	0.018	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-87	131.4	177.9	-178.4	0	0	0	0	109.9	E2 D8 W14 Y17 M59	E2-V4 PolarHBondContact O-N 3.28Å; V4-D8 HydrophobicContact CG1-CB 3.48Å; V4-D8 VanDerWaalsContact CG1-CB 3.48Å; V4-W14 HydrophobicContact CG1-CB 4.02Å; V4-W14 HydrophobicContact CG1-CG 4.37Å; V4-Y17 HydrophobicContact CB-CD1 4.37Å; V4-Y17 HydrophobicContact CG2-CD1 3.83Å; V4-Y17 HydrophobicContact CG2-CD2 3.87Å; V4-Y17 HydrophobicContact CG2-CE1 4.43Å; V4-Y17 HydrophobicContact CG2-CE2 4.47Å; V4-Y17 HydrophobicContact CG2-CG 3.51Å; V4-M59 WeakPolarHBondContact O-CE 3.48Å
5	K	94.4	Very high	91.6	Very high	131 Å²	131	45.5 Å²	45.5	57%	0.57	22%	0.216	S	C	*	.	P	Polyproline II helix	trans	-78.3	156.4	-177.3	-63.7	176	-175.5	171.8	0	110.8	G7 D8 F9	K5-G7 PolarHBondContact O-N 2.94Å; K5-D8 PolarHBondContact O-N 3.23Å; K5-F9 VanDerWaalsContact O-CD1 3.32Å; K5-F9 WeakPolarHBondContact O-CD1 2.98Å
6	Y	95.2	Very high	91.7	Very high	5 Å²	5	45.8 Å²	45.8	2%	0.02	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-53	-30.3	176.9	-68.5	-36.1	0	0	0	115.4	D8 F9 M59 L62 W63 L342 Y346 W350 L353	Y6-D8 PolarHBondContact O-N 2.99Å; Y6-F9 HydrophobicContact CD1-CD1 4.48Å; Y6-F9 HydrophobicContact CD1-CD2 4.18Å; Y6-F9 HydrophobicContact CD1-CE1 4.03Å; Y6-F9 AromaticContact CD1-CE2 3.7Å; Y6-F9 HydrophobicContact CD1-CE2 3.7Å; Y6-F9 AromaticContact CD1-CZ 3.63Å; Y6-F9 HydrophobicContact CD1-CZ 3.63Å; Y6-F9 HydrophobicContact CE1-CE2 4.01Å; Y6-F9 AromaticContact CE1-CZ 3.96Å; Y6-F9 HydrophobicContact CE1-CZ 3.96Å; Y6-F9 WeakPolarHBondContact O-CB 3.45Å; Y6-F9 PolarHBondContact O-N 3.22Å; Y6-M59 HydrophobicContact CD1-CE 3.46Å; Y6-M59 VanDerWaalsContact CD1-CE 3.46Å; Y6-M59 HydrophobicContact CD2-CE 4.41Å; Y6-M59 HydrophobicContact CE1-CB 3.82Å; Y6-M59 HydrophobicContact CE1-CE 3.47Å; Y6-M59 VanDerWaalsContact CE1-CE 3.47Å; Y6-M59 HydrophobicContact CE1-CG 4.16Å; Y6-M59 WeakPolarHBondContact CE1-O 3.39Å; Y6-M59 HydrophobicContact CE2-CE 4.42Å; Y6-M59 HydrophobicContact CG-CE 3.96Å; Y6-M59 VanDerWaalsContact OH-CA 3.32Å; Y6-M59 WeakPolarHBondContact OH-CA 3.3Å; Y6-M59 PolarHBondContact OH-O 3.13Å; Y6-L62 WeakPolarHBondContact OH-CB 3.46Å; Y6-W63 HydrophobicContact CD1-CB 4.33Å; Y6-W63 AromaticContact CD1-CD1 3.66Å; Y6-W63 HydrophobicContact CD1-CG 4.35Å; Y6-W63 HydrophobicContact CE1-CB 3.74Å; Y6-W63 AromaticContact CE1-CD1 3.95Å; Y6-W63 HydrophobicContact CE1-CG 4.24Å; Y6-L342 HydrophobicContact CE2-CD2 4.35Å; Y6-Y346 HydrophobicContact CD2-CD1 4.08Å; Y6-Y346 AromaticContact CD2-CD2 3.77Å; Y6-Y346 HydrophobicContact CD2-CD2 3.77Å; Y6-Y346 AromaticContact CD2-CE1 3.8Å; Y6-Y346 HydrophobicContact CD2-CE1 3.8Å; Y6-Y346 AromaticContact CD2-CE2 3.48Å; Y6-Y346 HydrophobicContact CD2-CE2 3.48Å; Y6-Y346 VanDerWaalsContact CD2-CE2 3.48Å; Y6-Y346 HydrophobicContact CD2-CG 4.06Å; Y6-Y346 AromaticContact CD2-CZ 3.49Å; Y6-Y346 VanDerWaalsContact CD2-CZ 3.49Å; Y6-Y346 AromaticContact CE2-CD2 3.7Å; Y6-Y346 HydrophobicContact CE2-CD2 3.7Å; Y6-Y346 AromaticContact CE2-CE2 3.7Å; Y6-Y346 HydrophobicContact CE2-CE2 3.7Å; Y6-Y346 HydrophobicContact CE2-CG 4.22Å; Y6-W350 HydrophobicContact CD2-CZ3 4.4Å; Y6-W350 HydrophobicContact CE2-CH2 4.21Å; Y6-W350 AromaticContact CE2-CZ3 3.8Å; Y6-W350 HydrophobicContact CE2-CZ3 3.8Å; Y6-L353 HydrophobicContact CD2-CD1 3.82Å; Y6-L353 HydrophobicContact CG-CD1 4.25Å
7	G	92.4	Very high	91.9	Very high	24 Å²	24	44 Å²	44	25%	0.247	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-71.3	-12.9	178.8	0	0	0	0	0	114.6	K5 Q360	K5-G7 PolarHBondContact O-N 2.94Å; G7-Q360 PolarHBondContact O-NE2 3.07Å; G7-Q360 PolarHBondContact O-OE1 3.22Å
8	D	93	Very high	92	Very high	40 Å²	40	41.9 Å²	41.9	21%	0.214	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-100.6	-3.2	177.2	-68.8	-26	0	0	0	111.9	V4 K5 Y6 G10 L11 R13 W14	V4-D8 HydrophobicContact CG1-CB 3.48Å; V4-D8 VanDerWaalsContact CG1-CB 3.48Å; K5-D8 PolarHBondContact O-N 3.23Å; Y6-D8 PolarHBondContact O-N 2.99Å; D8-G10 PolarHBondContact O-N 3.45Å; D8-L11 WeakPolarHBondContact O-CB 2.83Å; D8-L11 PolarHBondContact O-N 3.14Å; D8-L11 VanDerWaalsContact O-N 3.11Å; D8-R13 IonicContact OD2-CZ 3.81Å; D8-R13 IonicContact OD2-NH1 2.67Å; D8-R13 PolarHBondContact OD2-NH1 2.94Å; D8-W14 WeakPolarHBondContact O-CB 3.44Å
9	F	93.1	Very high	92	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	133.8	-178.8	-80.6	28.1	0	0	0	110.1	K5 Y6 L11 W14 M59 W63 I87 F357	K5-F9 VanDerWaalsContact O-CD1 3.32Å; K5-F9 WeakPolarHBondContact O-CD1 2.98Å; Y6-F9 HydrophobicContact CD1-CD1 4.48Å; Y6-F9 HydrophobicContact CD1-CD2 4.18Å; Y6-F9 HydrophobicContact CD1-CE1 4.03Å; Y6-F9 AromaticContact CD1-CE2 3.7Å; Y6-F9 HydrophobicContact CD1-CE2 3.7Å; Y6-F9 AromaticContact CD1-CZ 3.63Å; Y6-F9 HydrophobicContact CD1-CZ 3.63Å; Y6-F9 HydrophobicContact CE1-CE2 4.01Å; Y6-F9 AromaticContact CE1-CZ 3.96Å; Y6-F9 HydrophobicContact CE1-CZ 3.96Å; Y6-F9 WeakPolarHBondContact O-CB 3.45Å; Y6-F9 PolarHBondContact O-N 3.22Å; F9-L11 VanDerWaalsContact C-N 3.25Å; F9-L11 PolarHBondContact O-N 2.65Å; F9-W14 AromaticContact CD1-CD1 3.44Å; F9-W14 VanDerWaalsContact CD1-CD1 3.44Å; F9-W14 HydrophobicContact CD1-CG 4.17Å; F9-W14 AromaticContact CD1-NE1 3.77Å; F9-W14 AromaticContact CE1-CD1 3.63Å; F9-W14 AromaticContact CE1-NE1 3.71Å; F9-W14 AromaticContact CZ-NE1 3.98Å; F9-M59 HydrophobicContact CE1-CE 4.26Å; F9-M59 HydrophobicContact CZ-CE 4.22Å; F9-W63 AromaticContact CD2-CD1 3.7Å; F9-W63 HydrophobicContact CD2-CD2 4.26Å; F9-W63 HydrophobicContact CD2-CG 4.03Å; F9-W63 AromaticContact CD2-NE1 3.74Å; F9-W63 HydrophobicContact CE2-CB 4.27Å; F9-W63 AromaticContact CE2-CD1 3.94Å; F9-W63 AromaticContact CE2-CG 4Å; F9-W63 HydrophobicContact CE2-CG 4Å; F9-I87 HydrophobicContact CB-CD1 4.11Å; F9-I87 HydrophobicContact CD2-CD1 4.15Å; F9-I87 HydrophobicContact CD2-CG1 4.5Å; F9-I87 HydrophobicContact CD2-CG2 4.23Å; F9-I87 HydrophobicContact CE2-CG2 4.34Å; F9-F357 HydrophobicContact CB-CD2 4.16Å; F9-F357 HydrophobicContact CB-CE2 4.24Å; F9-F357 WeakPolarHBondContact O-CD2 3.45Å; F9-F357 WeakPolarHBondContact O-CE2 3.34Å
10	G	87.2	Confident	92	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.8	4.2	-175.5	0	0	0	0	0	114.8	D8 F15	D8-G10 PolarHBondContact O-N 3.45Å; G10-F15 WeakPolarHBondContact O-CE2 3.5Å
11	L	90.7	Very high	92.1	Very high	15 Å²	15	44.5 Å²	44.5	8%	0.079	21%	0.213	C	C	.	.	S	Bend	trans	-98.7	164	169.9	-58.2	-178	0	0	0	111.4	D8 F9 R13 W14 F15 Q360	D8-L11 WeakPolarHBondContact O-CB 2.83Å; D8-L11 PolarHBondContact O-N 3.14Å; D8-L11 VanDerWaalsContact O-N 3.11Å; F9-L11 VanDerWaalsContact C-N 3.25Å; F9-L11 PolarHBondContact O-N 2.65Å; L11-R13 PolarHBondContact O-N 3.09Å; L11-R13 VanDerWaalsContact O-N 3.14Å; L11-W14 PolarHBondContact O-N 3.12Å; L11-F15 WeakPolarHBondContact O-CD2 3.4Å; L11-F15 PolarHBondContact O-N 2.72Å; L11-Q360 HydrophobicContact CD2-CB 3.92Å; L11-Q360 HydrophobicContact CD2-CG 4.11Å
12	E	92.5	Very high	92.7	Very high	78 Å²	78	41.8 Å²	41.8	36%	0.364	20%	0.2	S	C	.	.	H	α-helix	trans	-50.8	-40	179.6	-174.2	175.4	-165.9	0	0	113.3	W14 F15 N16 A369 K372	E12-W14 VanDerWaalsContact C-N 3.31Å; E12-W14 PolarHBondContact O-N 3.44Å; E12-F15 PolarHBondContact O-N 3.1Å; E12-N16 WeakPolarHBondContact O-CB 3.37Å; E12-N16 VanDerWaalsContact O-CG 3.26Å; E12-N16 PolarHBondContact O-N 3.16Å; E12-N16 PolarHBondContact O-ND2 2.84Å; E12-A369 HydrophobicContact CB-CB 3.95Å; E12-K372 IonicContact OE1-NZ 2.65Å; E12-K372 PolarHBondContact OE1-NZ 3.48Å
13	R	92.6	Very high	92.8	Very high	125 Å²	125	41.2 Å²	41.2	47%	0.472	20%	0.195	S	C	.	.	H	α-helix	trans	-57.5	-44.8	176.4	-176	-175.9	-177.4	-175.8	8.9	112	D8 L11 Y17	D8-R13 IonicContact OD2-CZ 3.81Å; D8-R13 IonicContact OD2-NH1 2.67Å; D8-R13 PolarHBondContact OD2-NH1 2.94Å; L11-R13 PolarHBondContact O-N 3.09Å; L11-R13 VanDerWaalsContact O-N 3.14Å; R13-Y17 WeakPolarHBondContact O-CB 3.46Å; R13-Y17 PolarHBondContact O-N 3.07Å; R13-Y17 VanDerWaalsContact O-N 3.08Å
14	W	95	Very high	92.7	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-71.9	-40.4	180	-179	85.5	0	0	0	111.5	V4 D8 F9 L11 E12 N16 Y17 H18 T86 I87 H90	V4-W14 HydrophobicContact CG1-CB 4.02Å; V4-W14 HydrophobicContact CG1-CG 4.37Å; D8-W14 WeakPolarHBondContact O-CB 3.44Å; F9-W14 AromaticContact CD1-CD1 3.44Å; F9-W14 VanDerWaalsContact CD1-CD1 3.44Å; F9-W14 HydrophobicContact CD1-CG 4.17Å; F9-W14 AromaticContact CD1-NE1 3.77Å; F9-W14 AromaticContact CE1-CD1 3.63Å; F9-W14 AromaticContact CE1-NE1 3.71Å; F9-W14 AromaticContact CZ-NE1 3.98Å; L11-W14 PolarHBondContact O-N 3.12Å; E12-W14 VanDerWaalsContact C-N 3.31Å; E12-W14 PolarHBondContact O-N 3.44Å; W14-N16 PolarHBondContact O-N 2.84Å; W14-Y17 WeakPolarHBondContact O-CB 3.37Å; W14-Y17 PolarHBondContact O-N 2.75Å; W14-H18 HydrophobicContact CH2-CB 4.27Å; W14-H18 HydrophobicContact CZ2-CB 4.41Å; W14-H18 HydrophobicContact CZ3-CB 4.45Å; W14-H18 WeakPolarHBondContact O-CB 3.35Å; W14-H18 PolarHBondContact O-N 3.2Å; W14-T86 HydrophobicContact CH2-CG2 3.62Å; W14-T86 HydrophobicContact CZ3-CG2 3.67Å; W14-I87 HydrophobicContact CD2-CG1 4.45Å; W14-I87 HydrophobicContact CE3-CG1 4.29Å; W14-I87 HydrophobicContact CH2-CB 4.03Å; W14-I87 HydrophobicContact CH2-CG1 3.3Å; W14-I87 HydrophobicContact CZ2-CB 4.12Å; W14-I87 HydrophobicContact CZ2-CG1 3.46Å; W14-I87 VanDerWaalsContact CZ2-CG1 3.46Å; W14-I87 HydrophobicContact CZ3-CG1 3.73Å; W14-H90 HydrophobicContact CZ2-CB 4.11Å
15	F	94.2	Very high	92.7	Very high	8 Å²	8	41.1 Å²	41.1	4%	0.035	19%	0.194	C	C	.	.	H	α-helix	trans	-61.4	-42.5	174.8	-72.8	-59.3	0	0	0	112.6	G10 L11 E12 H18 G19 F82 P83 T86 A369 A373	G10-F15 WeakPolarHBondContact O-CE2 3.5Å; L11-F15 WeakPolarHBondContact O-CD2 3.4Å; L11-F15 PolarHBondContact O-N 2.72Å; E12-F15 PolarHBondContact O-N 3.1Å; F15-H18 PolarHBondContact O-N 2.98Å; F15-G19 PolarHBondContact O-N 3.41Å; F15-F82 HydrophobicContact CD1-CE1 4.33Å; F15-F82 HydrophobicContact CE1-CD1 4.28Å; F15-F82 AromaticContact CE1-CE1 3.72Å; F15-F82 HydrophobicContact CE1-CE1 3.72Å; F15-F82 HydrophobicContact CZ-CD1 4.45Å; F15-F82 HydrophobicContact CZ-CE1 4.19Å; F15-P83 HydrophobicContact CZ-CB 4.15Å; F15-T86 HydrophobicContact CD1-CG2 4.36Å; F15-T86 HydrophobicContact CE1-CG2 4.33Å; F15-A369 HydrophobicContact CD2-CB 4.33Å; F15-A369 HydrophobicContact CE2-CB 4.47Å; F15-A373 HydrophobicContact CB-CB 3.62Å; F15-A373 HydrophobicContact CD1-CB 3.66Å; F15-A373 HydrophobicContact CD2-CB 4.04Å; F15-A373 HydrophobicContact CE1-CB 4.29Å; F15-A373 HydrophobicContact CG-CB 3.52Å
16	N	92.8	Very high	92.4	Very high	51 Å²	51	35.9 Å²	35.9	27%	0.273	17%	0.172	S	C	.	.	H	α-helix	trans	-61.8	-45.1	174.6	-71.3	-24.3	0	0	0	111	E12 W14 G19 Y20	E12-N16 WeakPolarHBondContact O-CB 3.37Å; E12-N16 VanDerWaalsContact O-CG 3.26Å; E12-N16 PolarHBondContact O-N 3.16Å; E12-N16 PolarHBondContact O-ND2 2.84Å; W14-N16 PolarHBondContact O-N 2.84Å; N16-G19 PolarHBondContact O-N 3.05Å; N16-Y20 HydrophobicContact CB-CE2 4.26Å; N16-Y20 WeakPolarHBondContact O-CD2 3.34Å; N16-Y20 PolarHBondContact O-N 3.31Å
17	Y	94.3	Very high	92	Very high	15 Å²	15	38.2 Å²	38.2	6%	0.059	18%	0.184	C	C	.	.	H	α-helix	trans	-59.1	-47.5	176.4	173.4	-99.4	0	0	0	112.5	M1 E2 V4 R13 W14 G19 Y20 L21 D56 H90	M1-Y17 HydrophobicContact CG-CE2 3.84Å; E2-Y17 VanDerWaalsContact O-CE2 3.32Å; E2-Y17 WeakPolarHBondContact O-CE2 3.37Å; V4-Y17 HydrophobicContact CB-CD1 4.37Å; V4-Y17 HydrophobicContact CG2-CD1 3.83Å; V4-Y17 HydrophobicContact CG2-CD2 3.87Å; V4-Y17 HydrophobicContact CG2-CE1 4.43Å; V4-Y17 HydrophobicContact CG2-CE2 4.47Å; V4-Y17 HydrophobicContact CG2-CG 3.51Å; R13-Y17 WeakPolarHBondContact O-CB 3.46Å; R13-Y17 PolarHBondContact O-N 3.07Å; R13-Y17 VanDerWaalsContact O-N 3.08Å; W14-Y17 WeakPolarHBondContact O-CB 3.37Å; W14-Y17 PolarHBondContact O-N 2.75Å; Y17-G19 PolarHBondContact O-N 2.93Å; Y17-Y20 PolarHBondContact O-N 3.48Å; Y17-L21 HydrophobicContact CD1-CD1 4.18Å; Y17-L21 HydrophobicContact CE1-CD1 3.49Å; Y17-L21 VanDerWaalsContact CE1-CD1 3.49Å; Y17-L21 HydrophobicContact CE2-CD1 4.15Å; Y17-L21 VanDerWaalsContact CZ-CD1 3.46Å; Y17-L21 PolarHBondContact O-N 2.91Å; Y17-L21 VanDerWaalsContact O-N 3.12Å; Y17-D56 WeakPolarHBondContact CE1-OD2 3.26Å; Y17-D56 VanDerWaalsContact CZ-OD2 3.24Å; Y17-D56 VanDerWaalsContact OH-CG 3.31Å; Y17-D56 PolarHBondContact OH-OD2 3Å; Y17-H90 AromaticContact CE1-NE2 3.71Å
18	H	94.4	Very high	91.8	Very high	6 Å²	6	37.3 Å²	37.3	3%	0.028	17%	0.174	C	C	.	.	H	α-helix	trans	-57	-47.4	172.7	175.7	87.3	0	0	0	111.5	W14 F15 Y20 L21 N22 H90 W377	W14-H18 HydrophobicContact CH2-CB 4.27Å; W14-H18 HydrophobicContact CZ2-CB 4.41Å; W14-H18 HydrophobicContact CZ3-CB 4.45Å; W14-H18 WeakPolarHBondContact O-CB 3.35Å; W14-H18 PolarHBondContact O-N 3.2Å; F15-H18 PolarHBondContact O-N 2.98Å; H18-Y20 VanDerWaalsContact C-N 3.34Å; H18-Y20 PolarHBondContact O-N 2.87Å; H18-L21 PolarHBondContact O-N 3.25Å; H18-N22 WeakPolarHBondContact O-CB 3.14Å; H18-N22 PolarHBondContact O-N 3.38Å; H18-H90 AromaticContact CE1-ND1 3.67Å; H18-H90 AromaticContact CG-ND1 3.94Å; H18-H90 AromaticContact ND1-CE1 3.67Å; H18-H90 AromaticContact ND1-CG 3.49Å; H18-H90 AromaticContact ND1-ND1 2.93Å; H18-H90 PolarHBondContact ND1-ND1 3.37Å; H18-W377 AromaticContact NE2-CZ2 3.94Å
19	G	92.4	Very high	91.6	Very high	25 Å²	25	37.5 Å²	37.5	26%	0.258	18%	0.176	S	C	.	.	H	α-helix	trans	-60.5	-39	179.1	0	0	0	0	0	113.3	F15 N16 Y17 N22 K23	F15-G19 PolarHBondContact O-N 3.41Å; N16-G19 PolarHBondContact O-N 3.05Å; Y17-G19 PolarHBondContact O-N 2.93Å; G19-N22 PolarHBondContact O-N 3.11Å; G19-K23 WeakPolarHBondContact O-CG 3.45Å; G19-K23 PolarHBondContact O-N 2.9Å; G19-K23 VanDerWaalsContact O-N 3.12Å
20	Y	91.8	Very high	91.2	Very high	153 Å²	153	37.5 Å²	37.5	60%	0.6	18%	0.176	S	C	*	.	H	α-helix	trans	-64.5	-46.6	173.8	-70	-57.6	0	0	0	112.1	N16 Y17 H18 N22 K23 L24	N16-Y20 HydrophobicContact CB-CE2 4.26Å; N16-Y20 WeakPolarHBondContact O-CD2 3.34Å; N16-Y20 PolarHBondContact O-N 3.31Å; Y17-Y20 PolarHBondContact O-N 3.48Å; H18-Y20 VanDerWaalsContact C-N 3.34Å; H18-Y20 PolarHBondContact O-N 2.87Å; Y20-N22 VanDerWaalsContact C-N 3.26Å; Y20-N22 PolarHBondContact O-N 3.38Å; Y20-K23 PolarHBondContact O-N 2.93Å; Y20-L24 WeakPolarHBondContact O-CG 3.24Å; Y20-L24 PolarHBondContact O-N 3.36Å
21	L	94	Very high	91	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.01	18%	0.177	C	C	.	.	H	α-helix	trans	-62.6	-35.6	176.4	-77.3	174.5	0	0	0	112.1	M1 Y17 H18 L24 N25 L53 H90 L93 L94 L97	M1-L21 HydrophobicContact SD-CD2 3.65Å; Y17-L21 HydrophobicContact CD1-CD1 4.18Å; Y17-L21 HydrophobicContact CE1-CD1 3.49Å; Y17-L21 VanDerWaalsContact CE1-CD1 3.49Å; Y17-L21 HydrophobicContact CE2-CD1 4.15Å; Y17-L21 VanDerWaalsContact CZ-CD1 3.46Å; Y17-L21 PolarHBondContact O-N 2.91Å; Y17-L21 VanDerWaalsContact O-N 3.12Å; H18-L21 PolarHBondContact O-N 3.25Å; L21-L24 HydrophobicContact CD2-CD1 4.31Å; L21-L24 PolarHBondContact O-N 3.42Å; L21-N25 WeakPolarHBondContact O-CB 3.18Å; L21-N25 PolarHBondContact O-N 3.29Å; L21-L53 HydrophobicContact CD2-CD2 3.54Å; L21-H90 VanDerWaalsContact CD1-CE1 3.41Å; L21-H90 WeakPolarHBondContact CD1-CE1 3.19Å; L21-L93 HydrophobicContact CB-CD2 4.01Å; L21-L94 HydrophobicContact CD1-CD2 3.96Å; L21-L97 HydrophobicContact CD2-CD2 4.28Å
22	N	92	Very high	90.8	Very high	5 Å²	5	38.7 Å²	38.7	3%	0.027	19%	0.188	C	C	.	.	H	α-helix	trans	-63.6	-44.5	176.8	-169.7	46.3	0	0	0	111.5	H18 G19 Y20 L24 N25 M26 L93	H18-N22 WeakPolarHBondContact O-CB 3.14Å; H18-N22 PolarHBondContact O-N 3.38Å; G19-N22 PolarHBondContact O-N 3.11Å; Y20-N22 VanDerWaalsContact C-N 3.26Å; Y20-N22 PolarHBondContact O-N 3.38Å; N22-L24 PolarHBondContact O-N 3.12Å; N22-N25 PolarHBondContact O-N 2.94Å; N22-M26 VanDerWaalsContact O-CG 3.28Å; N22-M26 WeakPolarHBondContact O-CG 3.2Å; N22-M26 PolarHBondContact O-N 2.86Å; N22-L93 HydrophobicContact CB-CD1 4.3Å; N22-L93 HydrophobicContact CB-CD2 4.07Å; N22-L93 VanDerWaalsContact OD1-CD1 3.31Å; N22-L93 WeakPolarHBondContact OD1-CD1 3.48Å
23	K	90.4	Very high	90.2	Very high	130 Å²	130	39 Å²	39	57%	0.565	19%	0.186	S	C	*	.	H	α-helix	trans	-61.8	-43.3	175	-69.7	175.1	-177.8	-177	0	112.3	G19 Y20 N25 M26 Q27	G19-K23 WeakPolarHBondContact O-CG 3.45Å; G19-K23 PolarHBondContact O-N 2.9Å; G19-K23 VanDerWaalsContact O-N 3.12Å; Y20-K23 PolarHBondContact O-N 2.93Å; K23-N25 VanDerWaalsContact C-N 3.34Å; K23-N25 PolarHBondContact O-N 2.82Å; K23-M26 PolarHBondContact O-N 3.47Å; K23-Q27 WeakPolarHBondContact O-CB 3.38Å; K23-Q27 PolarHBondContact O-N 3.36Å
24	L	91.3	Very high	89.7	Confident	37 Å²	37	36.2 Å²	36.2	19%	0.194	18%	0.18	C	C	.	.	H	α-helix	trans	-60.9	-44.1	176.1	-68.1	175.3	0	0	0	111.3	Y20 L21 N22 Q27 A28 I40	Y20-L24 WeakPolarHBondContact O-CG 3.24Å; Y20-L24 PolarHBondContact O-N 3.36Å; L21-L24 HydrophobicContact CD2-CD1 4.31Å; L21-L24 PolarHBondContact O-N 3.42Å; N22-L24 PolarHBondContact O-N 3.12Å; L24-Q27 PolarHBondContact O-N 3.34Å; L24-A28 WeakPolarHBondContact O-CB 3.4Å; L24-A28 PolarHBondContact O-N 3.37Å; L24-I40 HydrophobicContact CB-CG2 4.34Å; L24-I40 HydrophobicContact CD2-CD1 3.75Å; L24-I40 HydrophobicContact CD2-CG2 4.44Å
25	N	92.2	Very high	88.9	Confident	13 Å²	13	44.8 Å²	44.8	7%	0.07	22%	0.22	C	C	.	.	H	α-helix	trans	-63.6	-47.7	177.3	-178	63.3	0	0	0	112.4	L21 N22 K23 Q27 A28 V29 L93 N96 L97	L21-N25 WeakPolarHBondContact O-CB 3.18Å; L21-N25 PolarHBondContact O-N 3.29Å; N22-N25 PolarHBondContact O-N 2.94Å; K23-N25 VanDerWaalsContact C-N 3.34Å; K23-N25 PolarHBondContact O-N 2.82Å; N25-Q27 VanDerWaalsContact C-N 3.28Å; N25-Q27 PolarHBondContact O-N 3.08Å; N25-A28 PolarHBondContact O-N 3.08Å; N25-V29 WeakPolarHBondContact O-CG2 3.31Å; N25-V29 PolarHBondContact O-N 2.96Å; N25-L93 HydrophobicContact CB-CD1 3.61Å; N25-L93 HydrophobicContact CB-CG 4.36Å; N25-L93 WeakPolarHBondContact ND2-CD1 3.25Å; N25-N96 PolarHBondContact ND2-ND2 2.72Å; N25-N96 PolarHBondContact OD1-ND2 3.34Å; N25-L97 HydrophobicContact CB-CB 4.42Å; N25-L97 WeakPolarHBondContact OD1-CA 3.15Å; N25-L97 PolarHBondContact OD1-N 3.25Å
26	M	88.4	Confident	88.1	Confident	21 Å²	21	46.9 Å²	46.9	10%	0.103	24%	0.235	C	C	.	.	H	α-helix	trans	-57.3	-44.3	177.4	-71	173.5	75.5	0	0	111.3	N22 K23 A30 F381 L386 L389	N22-M26 VanDerWaalsContact O-CG 3.28Å; N22-M26 WeakPolarHBondContact O-CG 3.2Å; N22-M26 PolarHBondContact O-N 2.86Å; K23-M26 PolarHBondContact O-N 3.47Å; M26-A30 WeakPolarHBondContact O-CB 3.25Å; M26-A30 PolarHBondContact O-N 3.47Å; M26-F381 HydrophobicContact CE-CD1 4.09Å; M26-F381 HydrophobicContact CE-CE1 4.03Å; M26-F381 HydrophobicContact SD-CE1 4.06Å; M26-L386 HydrophobicContact CE-CD2 3.91Å; M26-L389 HydrophobicContact CB-CD1 4.46Å; M26-L389 HydrophobicContact CE-CD1 3.61Å
27	Q	87.4	Confident	87.3	Confident	55 Å²	55	51.3 Å²	51.3	26%	0.257	26%	0.259	S	S	.	.	H	α-helix	trans	-68.3	-40.8	178.2	-175.7	57.8	51.3	0	0	112.6	K23 L24 N25 A30 S31 F39 I40	K23-Q27 WeakPolarHBondContact O-CB 3.38Å; K23-Q27 PolarHBondContact O-N 3.36Å; L24-Q27 PolarHBondContact O-N 3.34Å; N25-Q27 VanDerWaalsContact C-N 3.28Å; N25-Q27 PolarHBondContact O-N 3.08Å; Q27-A30 PolarHBondContact O-N 3.18Å; Q27-S31 PolarHBondContact NE2-OG 3.43Å; Q27-S31 PolarHBondContact O-N 3.34Å; Q27-S31 PolarHBondContact O-OG 2.99Å; Q27-F39 HydrophobicContact CG-CE1 4.16Å; Q27-F39 HydrophobicContact CG-CE2 3.92Å; Q27-F39 HydrophobicContact CG-CZ 3.35Å; Q27-I40 HydrophobicContact CB-CD1 4.1Å; Q27-I40 HydrophobicContact CB-CG1 4.1Å; Q27-I40 HydrophobicContact CG-CD1 3.86Å; Q27-I40 HydrophobicContact CG-CG1 3.84Å
28	A	89	Confident	86.9	Confident	5 Å²	5	52.6 Å²	52.6	4%	0.041	27%	0.265	C	S	.	.	H	α-helix	trans	-61	-46.7	177.6	0	0	0	0	0	111.3	L24 N25 A30 S31 A32 I40 L97 T100	L24-A28 WeakPolarHBondContact O-CB 3.4Å; L24-A28 PolarHBondContact O-N 3.37Å; N25-A28 PolarHBondContact O-N 3.08Å; A28-A30 VanDerWaalsContact C-N 3.33Å; A28-A30 PolarHBondContact O-N 3.14Å; A28-S31 PolarHBondContact O-N 3.3Å; A28-A32 WeakPolarHBondContact O-CB 3.34Å; A28-A32 PolarHBondContact O-N 3.26Å; A28-I40 HydrophobicContact CB-CB 4.09Å; A28-I40 HydrophobicContact CB-CG1 4.28Å; A28-I40 HydrophobicContact CB-CG2 4.02Å; A28-L97 HydrophobicContact CB-CD1 3.99Å; A28-T100 HydrophobicContact CB-CG2 4.16Å
29	V	87.4	Confident	86.5	Confident	43 Å²	43	57.4 Å²	57.4	26%	0.261	29%	0.287	S	S	.	.	H	α-helix	trans	-61.6	-42.6	175.9	172.9	0	0	0	0	111.2	N25 R33 N96	N25-V29 WeakPolarHBondContact O-CG2 3.31Å; N25-V29 PolarHBondContact O-N 2.96Å; V29-R33 WeakPolarHBondContact O-CB 3.43Å; V29-R33 PolarHBondContact O-N 2.8Å; V29-N96 VanDerWaalsContact CG2-ND2 3.26Å; V29-N96 WeakPolarHBondContact CG2-ND2 3.29Å
30	A	85.1	Confident	86.4	Confident	1 Å²	1	56.6 Å²	56.6	1%	0.008	28%	0.276	C	S	.	.	H	α-helix	trans	-62.6	-46.8	177.8	0	0	0	0	0	111.9	M26 Q27 A28 R33 I34 F390	M26-A30 WeakPolarHBondContact O-CB 3.25Å; M26-A30 PolarHBondContact O-N 3.47Å; Q27-A30 PolarHBondContact O-N 3.18Å; A28-A30 VanDerWaalsContact C-N 3.33Å; A28-A30 PolarHBondContact O-N 3.14Å; A30-R33 PolarHBondContact O-N 3.23Å; A30-I34 WeakPolarHBondContact O-CD1 3.49Å; A30-I34 WeakPolarHBondContact O-CG1 3.44Å; A30-I34 PolarHBondContact O-N 3.4Å; A30-F390 HydrophobicContact CB-CE1 4.13Å
31	S	83.3	Confident	86.3	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.007	25%	0.252	C	S	.	.	H	α-helix	trans	-59.4	-48	177.1	-72.3	0	0	0	0	112	Q27 A28 R33 I34 Q35 S36	Q27-S31 PolarHBondContact NE2-OG 3.43Å; Q27-S31 PolarHBondContact O-N 3.34Å; Q27-S31 PolarHBondContact O-OG 2.99Å; A28-S31 PolarHBondContact O-N 3.3Å; S31-R33 VanDerWaalsContact C-N 3.31Å; S31-R33 PolarHBondContact O-N 3.07Å; S31-I34 PolarHBondContact O-N 3.06Å; S31-Q35 PolarHBondContact O-N 2.89Å; S31-S36 WeakPolarHBondContact CA-OG 3.3Å; S31-S36 PolarHBondContact O-N 3.17Å; S31-S36 VanDerWaalsContact O-N 3.14Å
32	A	85.6	Confident	86.1	Confident	39 Å²	39	54.3 Å²	54.3	32%	0.322	27%	0.271	S	S	.	.	H	α-helix	trans	-61.1	-39.1	177.9	0	0	0	0	0	112.2	A28 Q35 T100	A28-A32 WeakPolarHBondContact O-CB 3.34Å; A28-A32 PolarHBondContact O-N 3.26Å; A32-Q35 PolarHBondContact O-N 3.43Å; A32-T100 HydrophobicContact CB-CG2 4.28Å
33	R	81.5	Confident	86.1	Confident	84 Å²	84	57.6 Å²	57.6	32%	0.317	29%	0.285	S	S	.	.	H	α-helix	trans	-67.3	-37.7	177.9	-116.3	177.7	174.4	-145.7	-3.2	113.5	V29 A30 S31 Q35 E237	V29-R33 WeakPolarHBondContact O-CB 3.43Å; V29-R33 PolarHBondContact O-N 2.8Å; A30-R33 PolarHBondContact O-N 3.23Å; S31-R33 VanDerWaalsContact C-N 3.31Å; S31-R33 PolarHBondContact O-N 3.07Å; R33-Q35 VanDerWaalsContact C-N 3.26Å; R33-E237 IonicContact CZ-OE1 2.6Å; R33-E237 IonicContact NE-OE1 3.53Å; R33-E237 PolarHBondContact NE-OE1 3.2Å; R33-E237 IonicContact NH2-OE1 3.98Å; R33-E237 PolarHBondContact NH2-OE1 3.08Å
34	I	81.9	Confident	86.2	Confident	66 Å²	66	51.4 Å²	51.4	34%	0.338	26%	0.258	S	S	.	.	H	α-helix	trans	-84.1	-7.6	-179.1	-61.5	157.9	0	0	0	110.9	A30 S31 S36 S392	A30-I34 WeakPolarHBondContact O-CD1 3.49Å; A30-I34 WeakPolarHBondContact O-CG1 3.44Å; A30-I34 PolarHBondContact O-N 3.4Å; S31-I34 PolarHBondContact O-N 3.06Å; I34-S36 PolarHBondContact O-N 3.5Å; I34-S392 WeakPolarHBondContact CD1-OG 3.39Å
35	Q	77.8	Confident	86.3	Confident	181 Å²	181	50.8 Å²	50.8	85%	0.846	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	39.1	-171.6	-58.7	-179.3	-12.4	0	0	111.5	S31 A32 R33	S31-Q35 PolarHBondContact O-N 2.89Å; A32-Q35 PolarHBondContact O-N 3.43Å; R33-Q35 VanDerWaalsContact C-N 3.26Å
36	S	76.5	Confident	86.3	Confident	51 Å²	51	54.2 Å²	54.2	36%	0.357	28%	0.281	S	S	.	.			trans	-96.9	177.9	176.6	65.7	0	0	0	0	111.4	S31 I34 E38	S31-S36 WeakPolarHBondContact CA-OG 3.3Å; S31-S36 PolarHBondContact O-N 3.17Å; S31-S36 VanDerWaalsContact O-N 3.14Å; I34-S36 PolarHBondContact O-N 3.5Å; S36-E38 WeakPolarHBondContact O-CG 3.31Å; S36-E38 PolarHBondContact O-N 3.12Å
37	D	76.7	Confident	86.5	Confident	144 Å²	144	58.2 Å²	58.2	77%	0.77	30%	0.299	S	S	*	.			trans	-54.3	121.7	178.3	-62.6	-23.5	0	0	0	111.9	F39	D37-F39 WeakPolarHBondContact O-CD1 3.29Å; D37-F39 PolarHBondContact O-N 2.93Å
38	E	84.8	Confident	86.8	Confident	42 Å²	42	61 Å²	61	20%	0.196	31%	0.312	C	S	.	.			trans	-87	57.3	-176.7	-61.8	-156.7	-143.5	0	0	112.2	S36 I40 K41 E42 H104	S36-E38 WeakPolarHBondContact O-CG 3.31Å; S36-E38 PolarHBondContact O-N 3.12Å; E38-I40 PolarHBondContact O-N 2.67Å; E38-I40 VanDerWaalsContact O-N 3.08Å; E38-K41 HydrophobicContact CB-CB 4.34Å; E38-K41 WeakPolarHBondContact O-CB 3.31Å; E38-K41 PolarHBondContact O-N 2.71Å; E38-E42 PolarHBondContact O-N 3.28Å; E38-H104 VanDerWaalsContact CD-NE2 3.29Å; E38-H104 IonicContact OE1-CE1 3.67Å; E38-H104 PolarHBondContact OE1-CE1 3.47Å; E38-H104 IonicContact OE1-NE2 3.79Å; E38-H104 PolarHBondContact OE1-NE2 3.21Å; E38-H104 IonicContact OE2-CE1 3.68Å; E38-H104 PolarHBondContact OE2-CE1 3.5Å; E38-H104 IonicContact OE2-NE2 2.64Å; E38-H104 PolarHBondContact OE2-NE2 3.37Å
39	F	87.5	Confident	87.1	Confident	107 Å²	107	63 Å²	63	47%	0.469	32%	0.32	S	S	.	.	H	α-helix	trans	-61.8	-20.3	-175.3	63.7	-92.3	0	0	0	114.3	Q27 D37 E42 F43	Q27-F39 HydrophobicContact CG-CE1 4.16Å; Q27-F39 HydrophobicContact CG-CE2 3.92Å; Q27-F39 HydrophobicContact CG-CZ 3.35Å; D37-F39 WeakPolarHBondContact O-CD1 3.29Å; D37-F39 PolarHBondContact O-N 2.93Å; F39-E42 PolarHBondContact O-N 3.19Å; F39-F43 VanDerWaalsContact O-CB 3.32Å; F39-F43 WeakPolarHBondContact O-CB 3.46Å; F39-F43 PolarHBondContact O-N 3.39Å
40	I	89.6	Confident	87.5	Confident	9 Å²	9	61 Å²	61	5%	0.046	31%	0.307	C	S	.	.	H	α-helix	trans	-67.1	-43.8	173.3	-56.3	-62.3	0	0	0	110.3	L24 Q27 A28 E38 F43 L44 L97	L24-I40 HydrophobicContact CB-CG2 4.34Å; L24-I40 HydrophobicContact CD2-CD1 3.75Å; L24-I40 HydrophobicContact CD2-CG2 4.44Å; Q27-I40 HydrophobicContact CB-CD1 4.1Å; Q27-I40 HydrophobicContact CB-CG1 4.1Å; Q27-I40 HydrophobicContact CG-CD1 3.86Å; Q27-I40 HydrophobicContact CG-CG1 3.84Å; A28-I40 HydrophobicContact CB-CB 4.09Å; A28-I40 HydrophobicContact CB-CG1 4.28Å; A28-I40 HydrophobicContact CB-CG2 4.02Å; E38-I40 PolarHBondContact O-N 2.67Å; E38-I40 VanDerWaalsContact O-N 3.08Å; I40-F43 PolarHBondContact O-N 2.97Å; I40-L44 HydrophobicContact CG2-CD1 4.18Å; I40-L44 VanDerWaalsContact O-CG 3.26Å; I40-L44 WeakPolarHBondContact O-CG 3.25Å; I40-L44 PolarHBondContact O-N 3.28Å; I40-L97 HydrophobicContact CG2-CD1 4.38Å
41	K	90	Very high	88	Confident	22 Å²	22	62.9 Å²	62.9	10%	0.096	32%	0.32	C	S	.	.	H	α-helix	trans	-59.7	-48.5	173.6	177.1	-96.9	-73.7	-171.9	0	110.1	E38 F43 L44 V45 H104 D106 A107	E38-K41 HydrophobicContact CB-CB 4.34Å; E38-K41 WeakPolarHBondContact O-CB 3.31Å; E38-K41 PolarHBondContact O-N 2.71Å; K41-F43 VanDerWaalsContact C-N 3.33Å; K41-F43 PolarHBondContact O-N 3.19Å; K41-L44 PolarHBondContact O-N 3.26Å; K41-L44 VanDerWaalsContact O-N 3.12Å; K41-V45 HydrophobicContact CD-CG2 4.25Å; K41-V45 HydrophobicContact CG-CG2 4.45Å; K41-V45 WeakPolarHBondContact O-CG2 3.38Å; K41-V45 PolarHBondContact O-N 3.36Å; K41-H104 HydrophobicContact CD-CB 4.46Å; K41-D106 IonicContact NZ-OD1 2.74Å; K41-D106 PolarHBondContact NZ-OD1 3.37Å; K41-D106 IonicContact NZ-OD2 3.44Å; K41-D106 PolarHBondContact NZ-OD2 3.39Å; K41-A107 HydrophobicContact CD-CB 4.1Å; K41-A107 HydrophobicContact CG-CB 3.78Å
42	E	88.7	Confident	88.6	Confident	84 Å²	84	64.7 Å²	64.7	39%	0.393	33%	0.329	S	S	.	.	H	α-helix	trans	-58.4	-43.2	178.1	-63.1	-54.9	146.6	0	0	112.9	E38 F39 V45 S46	E38-E42 PolarHBondContact O-N 3.28Å; F39-E42 PolarHBondContact O-N 3.19Å; E42-V45 PolarHBondContact O-N 3.24Å; E42-S46 WeakPolarHBondContact O-CB 3.39Å; E42-S46 PolarHBondContact O-N 3.23Å; E42-S46 PolarHBondContact O-OG 3.13Å
43	F	92.1	Very high	89.2	Confident	75 Å²	75	62.9 Å²	62.9	33%	0.329	31%	0.314	S	S	.	.	H	α-helix	trans	-60.5	-46.3	175.7	167.3	-98.5	0	0	0	111.5	F39 I40 K41 H47	F39-F43 VanDerWaalsContact O-CB 3.32Å; F39-F43 WeakPolarHBondContact O-CB 3.46Å; F39-F43 PolarHBondContact O-N 3.39Å; I40-F43 PolarHBondContact O-N 2.97Å; K41-F43 VanDerWaalsContact C-N 3.33Å; K41-F43 PolarHBondContact O-N 3.19Å; F43-H47 AromaticContact CD2-CE1 3.54Å; F43-H47 AromaticContact CD2-ND1 3.36Å; F43-H47 WeakPolarHBondContact CD2-ND1 3.38Å; F43-H47 AromaticContact CE2-CE1 3.76Å; F43-H47 AromaticContact CE2-ND1 3.6Å; F43-H47 WeakPolarHBondContact O-CB 3.22Å; F43-H47 PolarHBondContact O-N 3.42Å; F43-H47 VanDerWaalsContact O-N 3.12Å; F43-H47 PolarHBondContact O-ND1 2.98Å
44	L	93.9	Very high	90	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-66.4	-38.9	-178.3	-69.4	172.9	0	0	0	112.1	I40 K41 Q48 K49 I50 L53 L97 V101	I40-L44 HydrophobicContact CG2-CD1 4.18Å; I40-L44 VanDerWaalsContact O-CG 3.26Å; I40-L44 WeakPolarHBondContact O-CG 3.25Å; I40-L44 PolarHBondContact O-N 3.28Å; K41-L44 PolarHBondContact O-N 3.26Å; K41-L44 VanDerWaalsContact O-N 3.12Å; L44-Q48 PolarHBondContact O-N 3.08Å; L44-K49 HydrophobicContact CD2-CB 3.66Å; L44-K49 PolarHBondContact O-N 3.45Å; L44-I50 HydrophobicContact CB-CG1 4.01Å; L44-L53 HydrophobicContact CD1-CD1 3.9Å; L44-L53 HydrophobicContact CD2-CD1 4.02Å; L44-L97 HydrophobicContact CD1-CD1 4.28Å; L44-L97 HydrophobicContact CD1-CD2 4.47Å; L44-L97 HydrophobicContact CD1-CG 4.47Å; L44-V101 HydrophobicContact CD1-CG2 3.67Å
45	V	92.5	Very high	90.7	Very high	24 Å²	24	58 Å²	58	15%	0.145	29%	0.293	C	S	.	.	H	α-helix	trans	-68.2	-56.4	176	170	0	0	0	0	110.7	K41 E42 H47 Q48 I50 A107	K41-V45 HydrophobicContact CD-CG2 4.25Å; K41-V45 HydrophobicContact CG-CG2 4.45Å; K41-V45 WeakPolarHBondContact O-CG2 3.38Å; K41-V45 PolarHBondContact O-N 3.36Å; E42-V45 PolarHBondContact O-N 3.24Å; V45-H47 PolarHBondContact O-N 3.21Å; V45-H47 VanDerWaalsContact O-N 3.13Å; V45-Q48 PolarHBondContact O-N 2.97Å; V45-Q48 PolarHBondContact O-NE2 3.23Å; V45-I50 HydrophobicContact CG2-CD1 3.83Å; V45-A107 HydrophobicContact CG2-CB 3.84Å
46	S	91.9	Very high	91.7	Very high	85 Å²	85	49.4 Å²	49.4	59%	0.594	25%	0.253	S	S	*	.	H	α-helix	trans	-58.8	-32.4	-175.7	-61.5	0	0	0	0	113	E42	E42-S46 WeakPolarHBondContact O-CB 3.39Å; E42-S46 PolarHBondContact O-N 3.23Å; E42-S46 PolarHBondContact O-OG 3.13Å
47	H	93.5	Very high	92.8	Very high	104 Å²	104	47 Å²	47	48%	0.481	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	10.5	-179.4	-61	85.5	0	0	0	113.9	F43 V45 K49	F43-H47 AromaticContact CD2-CE1 3.54Å; F43-H47 AromaticContact CD2-ND1 3.36Å; F43-H47 WeakPolarHBondContact CD2-ND1 3.38Å; F43-H47 AromaticContact CE2-CE1 3.76Å; F43-H47 AromaticContact CE2-ND1 3.6Å; F43-H47 WeakPolarHBondContact O-CB 3.22Å; F43-H47 PolarHBondContact O-N 3.42Å; F43-H47 VanDerWaalsContact O-N 3.12Å; F43-H47 PolarHBondContact O-ND1 2.98Å; V45-H47 PolarHBondContact O-N 3.21Å; V45-H47 VanDerWaalsContact O-N 3.13Å; H47-K49 VanDerWaalsContact C-N 3.3Å; H47-K49 HydrophobicContact CB-CD 4.35Å; H47-K49 HydrophobicContact CB-CG 3.77Å; H47-K49 WeakPolarHBondContact O-CD 3.3Å; H47-K49 WeakPolarHBondContact O-CE 3.23Å; H47-K49 WeakPolarHBondContact O-CG 3.43Å; H47-K49 PolarHBondContact O-N 3.37Å
48	Q	93.1	Very high	93.8	Very high	114 Å²	114	40.1 Å²	40.1	53%	0.533	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	46	176.7	-61.8	-67.2	-44.2	0	0	112.5	L44 V45	L44-Q48 PolarHBondContact O-N 3.08Å; V45-Q48 PolarHBondContact O-N 2.97Å; V45-Q48 PolarHBondContact O-NE2 3.23Å
49	K	95.2	Very high	94.4	Very high	47 Å²	47	38.3 Å²	38.3	20%	0.204	19%	0.191	C	C	.	.			trans	-97	-13.9	-174.8	-61.8	-51.4	175.6	-166.3	0	113.7	M1 L44 H47 I52 L53	M1-K49 HydrophobicContact CB-CD 4.32Å; M1-K49 HydrophobicContact CE-CB 3.68Å; M1-K49 HydrophobicContact CE-CD 4.39Å; M1-K49 HydrophobicContact CE-CG 4.34Å; M1-K49 WeakPolarHBondContact CE-O 3.36Å; M1-K49 PolarHBondContact O-NZ 3.37Å; L44-K49 HydrophobicContact CD2-CB 3.66Å; L44-K49 PolarHBondContact O-N 3.45Å; H47-K49 VanDerWaalsContact C-N 3.3Å; H47-K49 HydrophobicContact CB-CD 4.35Å; H47-K49 HydrophobicContact CB-CG 3.77Å; H47-K49 WeakPolarHBondContact O-CD 3.3Å; H47-K49 WeakPolarHBondContact O-CE 3.23Å; H47-K49 WeakPolarHBondContact O-CG 3.43Å; H47-K49 PolarHBondContact O-N 3.37Å; K49-I52 HydrophobicContact CD-CD1 3.78Å; K49-I52 WeakPolarHBondContact O-CB 3.37Å; K49-I52 PolarHBondContact O-N 3.47Å; K49-I52 VanDerWaalsContact O-N 3.15Å; K49-L53 PolarHBondContact O-N 3.05Å; K49-L53 VanDerWaalsContact O-N 3.13Å
50	I	95.9	Very high	94.9	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-59.6	-48.9	179.2	-67.3	175.6	0	0	0	112.3	L44 V45 I52 L53 V54 V101 A107 T110 F111	L44-I50 HydrophobicContact CB-CG1 4.01Å; V45-I50 HydrophobicContact CG2-CD1 3.83Å; I50-I52 PolarHBondContact O-N 3.33Å; I50-I52 VanDerWaalsContact O-N 3.16Å; I50-L53 WeakPolarHBondContact O-CB 3.31Å; I50-L53 PolarHBondContact O-N 2.91Å; I50-V54 PolarHBondContact O-N 3.34Å; I50-V54 VanDerWaalsContact O-N 3.15Å; I50-V101 HydrophobicContact CD1-CG1 3.56Å; I50-V101 HydrophobicContact CG1-CG1 4.06Å; I50-A107 HydrophobicContact CD1-CB 4.09Å; I50-A107 WeakPolarHBondContact CD1-O 3.44Å; I50-T110 HydrophobicContact CD1-CG2 4.29Å; I50-F111 HydrophobicContact CD1-CE2 4.45Å; I50-F111 HydrophobicContact CG2-CB 4.46Å; I50-F111 HydrophobicContact CG2-CD1 3.62Å; I50-F111 HydrophobicContact CG2-CD2 3.43Å; I50-F111 VanDerWaalsContact CG2-CD2 3.43Å; I50-F111 HydrophobicContact CG2-CE1 3.5Å; I50-F111 VanDerWaalsContact CG2-CE1 3.5Å; I50-F111 HydrophobicContact CG2-CE2 3.37Å; I50-F111 HydrophobicContact CG2-CG 3.58Å; I50-F111 HydrophobicContact CG2-CZ 3.4Å
51	P	95.7	Very high	95.3	Very high	41 Å²	41	33 Å²	33	27%	0.266	17%	0.167	S	C	.	.	H	α-helix	trans	-60.1	-29.4	176.4	-25.8	35.5	0	0	0	113.5	V54 H55	P51-V54 PolarHBondContact O-N 2.96Å; P51-H55 WeakPolarHBondContact O-CB 3.47Å; P51-H55 PolarHBondContact O-N 2.98Å
52	I	96.3	Very high	95.6	Very high	40 Å²	40	31.9 Å²	31.9	21%	0.205	16%	0.162	C	C	.	.	H	α-helix	trans	-68.9	-40.3	175.8	-59.7	176.4	0	0	0	110.6	M1 L3 K49 I50 V54 H55 D56	M1-I52 HydrophobicContact CE-CB 3.92Å; M1-I52 HydrophobicContact CE-CG2 3.81Å; L3-I52 HydrophobicContact CB-CG2 4.23Å; L3-I52 HydrophobicContact CD1-CG2 4.36Å; K49-I52 HydrophobicContact CD-CD1 3.78Å; K49-I52 WeakPolarHBondContact O-CB 3.37Å; K49-I52 PolarHBondContact O-N 3.47Å; K49-I52 VanDerWaalsContact O-N 3.15Å; I50-I52 PolarHBondContact O-N 3.33Å; I50-I52 VanDerWaalsContact O-N 3.16Å; I52-V54 VanDerWaalsContact C-N 3.33Å; I52-H55 PolarHBondContact O-N 3.14Å; I52-D56 WeakPolarHBondContact O-CB 3.44Å; I52-D56 PolarHBondContact O-N 3.29Å
53	L	97.9	Very high	96.1	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-62.6	-41.1	175.6	-64	178.3	0	0	0	111.6	M1 L21 L44 K49 I50 D56 L57 L94 L97 L98	M1-L53 HydrophobicContact CE-CD2 3.47Å; M1-L53 VanDerWaalsContact CE-CD2 3.47Å; M1-L53 HydrophobicContact CE-CG 3.81Å; M1-L53 HydrophobicContact SD-CD2 3.95Å; L21-L53 HydrophobicContact CD2-CD2 3.54Å; L44-L53 HydrophobicContact CD1-CD1 3.9Å; L44-L53 HydrophobicContact CD2-CD1 4.02Å; K49-L53 PolarHBondContact O-N 3.05Å; K49-L53 VanDerWaalsContact O-N 3.13Å; I50-L53 WeakPolarHBondContact O-CB 3.31Å; I50-L53 PolarHBondContact O-N 2.91Å; L53-D56 PolarHBondContact O-N 3.5Å; L53-L57 WeakPolarHBondContact O-CB 3.36Å; L53-L57 PolarHBondContact O-N 3.44Å; L53-L94 HydrophobicContact CD2-CD2 3.91Å; L53-L97 HydrophobicContact CD1-CD2 3.73Å; L53-L97 HydrophobicContact CD1-CG 4.13Å; L53-L97 HydrophobicContact CD2-CD2 4.09Å; L53-L98 HydrophobicContact CB-CD2 4.08Å; L53-L98 HydrophobicContact CB-CG 4.5Å; L53-L98 HydrophobicContact CD1-CD2 4.45Å
54	V	98.1	Very high	96.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-64.6	-44.7	174.5	-178.5	0	0	0	0	110.4	I50 P51 I52 D56 L57 I58 L98 F111 S114 D117 L118 I338	I50-V54 PolarHBondContact O-N 3.34Å; I50-V54 VanDerWaalsContact O-N 3.15Å; P51-V54 PolarHBondContact O-N 2.96Å; I52-V54 VanDerWaalsContact C-N 3.33Å; V54-D56 VanDerWaalsContact C-N 3.26Å; V54-D56 PolarHBondContact O-N 3.11Å; V54-L57 WeakPolarHBondContact O-CB 3.46Å; V54-L57 PolarHBondContact O-N 2.96Å; V54-I58 HydrophobicContact CG1-CG1 4.44Å; V54-I58 WeakPolarHBondContact O-CG1 3.35Å; V54-I58 PolarHBondContact O-N 2.92Å; V54-L98 HydrophobicContact CG2-CD2 4.23Å; V54-F111 HydrophobicContact CG2-CD1 3.75Å; V54-F111 HydrophobicContact CG2-CE1 3.56Å; V54-S114 WeakPolarHBondContact CG1-O 3.27Å; V54-D117 HydrophobicContact CG1-CB 4.09Å; V54-L118 HydrophobicContact CG1-CB 4.14Å; V54-L118 HydrophobicContact CG2-CB 4.4Å; V54-I338 HydrophobicContact CG1-CD1 4.15Å
55	H	98	Very high	96.3	Very high	49 Å²	49	27.1 Å²	27.1	23%	0.227	14%	0.141	C	C	.	.	H	α-helix	trans	-58.9	-41.5	177	-169.5	-44	0	0	0	112	L3 P51 I52 M59 I338	L3-H55 HydrophobicContact CD2-CB 4.45Å; L3-H55 WeakPolarHBondContact CD2-CE1 3Å; L3-H55 VanDerWaalsContact CD2-ND1 3.28Å; L3-H55 WeakPolarHBondContact CD2-ND1 3.38Å; P51-H55 WeakPolarHBondContact O-CB 3.47Å; P51-H55 PolarHBondContact O-N 2.98Å; I52-H55 PolarHBondContact O-N 3.14Å; H55-M59 VanDerWaalsContact CE1-SD 3.57Å; H55-M59 WeakPolarHBondContact O-CB 3.48Å; H55-M59 WeakPolarHBondContact O-CG 3.36Å; H55-M59 PolarHBondContact O-N 2.79Å; H55-I338 HydrophobicContact CB-CD1 4.02Å; H55-I338 HydrophobicContact CB-CG2 4.12Å
56	D	98.1	Very high	96.5	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-66.5	-40.9	177.4	-160.7	22.1	0	0	0	112	L3 Y17 I52 L53 V54 I58 M59 V60 H90 L94	L3-D56 HydrophobicContact CD1-CB 3.7Å; Y17-D56 WeakPolarHBondContact CE1-OD2 3.26Å; Y17-D56 VanDerWaalsContact CZ-OD2 3.24Å; Y17-D56 VanDerWaalsContact OH-CG 3.31Å; Y17-D56 PolarHBondContact OH-OD2 3Å; I52-D56 WeakPolarHBondContact O-CB 3.44Å; I52-D56 PolarHBondContact O-N 3.29Å; L53-D56 PolarHBondContact O-N 3.5Å; V54-D56 VanDerWaalsContact C-N 3.26Å; V54-D56 PolarHBondContact O-N 3.11Å; D56-I58 PolarHBondContact O-N 3.25Å; D56-M59 WeakPolarHBondContact O-CB 3.43Å; D56-M59 PolarHBondContact O-N 3.01Å; D56-M59 VanDerWaalsContact O-N 3.11Å; D56-V60 WeakPolarHBondContact O-CG2 3.32Å; D56-V60 PolarHBondContact O-N 2.95Å; D56-H90 IonicContact OD2-NE2 2.73Å; D56-H90 PolarHBondContact OD2-NE2 3.5Å; D56-L94 HydrophobicContact CB-CD1 3.98Å; D56-L94 HydrophobicContact CB-CD2 4.35Å
57	L	98.5	Very high	96.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-57.3	-49.6	175.6	-177	76.2	0	0	0	111	L53 V54 M59 V60 E61 E91 L94 A95 L98 L118 W121	L53-L57 WeakPolarHBondContact O-CB 3.36Å; L53-L57 PolarHBondContact O-N 3.44Å; V54-L57 WeakPolarHBondContact O-CB 3.46Å; V54-L57 PolarHBondContact O-N 2.96Å; L57-M59 VanDerWaalsContact C-N 3.3Å; L57-M59 PolarHBondContact O-N 3.25Å; L57-V60 PolarHBondContact O-N 2.66Å; L57-E61 WeakPolarHBondContact O-CB 3.47Å; L57-E61 PolarHBondContact O-N 2.94Å; L57-E91 HydrophobicContact CD1-CG 3.65Å; L57-E91 WeakPolarHBondContact CD1-O 3.38Å; L57-L94 HydrophobicContact CB-CB 4.39Å; L57-L94 HydrophobicContact CB-CD1 4.36Å; L57-L94 HydrophobicContact CD1-CB 3.73Å; L57-A95 HydrophobicContact CD1-CB 4.47Å; L57-L98 HydrophobicContact CB-CD1 4.44Å; L57-L98 HydrophobicContact CD2-CD1 3.78Å; L57-L118 HydrophobicContact CD2-CD1 3.9Å; L57-W121 HydrophobicContact CD1-CZ2 4.13Å; L57-W121 HydrophobicContact CD2-CB 4.35Å; L57-W121 HydrophobicContact CD2-CD2 3.6Å; L57-W121 HydrophobicContact CD2-CE3 4.07Å; L57-W121 HydrophobicContact CD2-CG 3.7Å; L57-W121 HydrophobicContact CD2-CZ2 4.44Å; L57-W121 HydrophobicContact CG-CD2 4.3Å; L57-W121 HydrophobicContact CG-CG 4.25Å
58	I	98.3	Very high	96.8	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-66	-35	177.5	-58.7	-54.9	0	0	0	111.4	V54 D56 E61 L62 D117 W121 I338 R339 L342	V54-I58 HydrophobicContact CG1-CG1 4.44Å; V54-I58 WeakPolarHBondContact O-CG1 3.35Å; V54-I58 PolarHBondContact O-N 2.92Å; D56-I58 PolarHBondContact O-N 3.25Å; I58-E61 PolarHBondContact O-N 3.47Å; I58-L62 HydrophobicContact CG2-CD1 4.19Å; I58-L62 HydrophobicContact CG2-CG 4.41Å; I58-L62 WeakPolarHBondContact O-CB 3.47Å; I58-L62 WeakPolarHBondContact O-CG 3.33Å; I58-L62 PolarHBondContact O-N 2.85Å; I58-D117 HydrophobicContact CD1-CB 4.2Å; I58-D117 HydrophobicContact CG1-CB 3.98Å; I58-W121 HydrophobicContact CD1-CB 3.91Å; I58-W121 HydrophobicContact CD1-CG 4.48Å; I58-I338 HydrophobicContact CB-CG2 3.85Å; I58-I338 HydrophobicContact CG1-CG2 4.19Å; I58-I338 HydrophobicContact CG2-CG2 3.94Å; I58-R339 HydrophobicContact CG2-CB 3.72Å; I58-R339 HydrophobicContact CG2-CG 3.95Å; I58-L342 HydrophobicContact CG2-CD1 4.02Å
59	M	97.9	Very high	96.8	Very high	4 Å²	4	21.3 Å²	21.3	2%	0.02	10%	0.1	C	C	.	.	H	α-helix	trans	-60.8	-49.7	174.6	-84.4	-171.3	66	0	0	111.5	L3 V4 Y6 F9 H55 D56 L57 L62 W63 L342	L3-M59 HydrophobicContact CD1-SD 3.94Å; L3-M59 HydrophobicContact CD2-SD 3.63Å; L3-M59 HydrophobicContact CG-SD 3.87Å; V4-M59 WeakPolarHBondContact O-CE 3.48Å; Y6-M59 HydrophobicContact CD1-CE 3.46Å; Y6-M59 VanDerWaalsContact CD1-CE 3.46Å; Y6-M59 HydrophobicContact CD2-CE 4.41Å; Y6-M59 HydrophobicContact CE1-CB 3.82Å; Y6-M59 HydrophobicContact CE1-CE 3.47Å; Y6-M59 VanDerWaalsContact CE1-CE 3.47Å; Y6-M59 HydrophobicContact CE1-CG 4.16Å; Y6-M59 WeakPolarHBondContact CE1-O 3.39Å; Y6-M59 HydrophobicContact CE2-CE 4.42Å; Y6-M59 HydrophobicContact CG-CE 3.96Å; Y6-M59 VanDerWaalsContact OH-CA 3.32Å; Y6-M59 WeakPolarHBondContact OH-CA 3.3Å; Y6-M59 PolarHBondContact OH-O 3.13Å; F9-M59 HydrophobicContact CE1-CE 4.26Å; F9-M59 HydrophobicContact CZ-CE 4.22Å; H55-M59 VanDerWaalsContact CE1-SD 3.57Å; H55-M59 WeakPolarHBondContact O-CB 3.48Å; H55-M59 WeakPolarHBondContact O-CG 3.36Å; H55-M59 PolarHBondContact O-N 2.79Å; D56-M59 WeakPolarHBondContact O-CB 3.43Å; D56-M59 PolarHBondContact O-N 3.01Å; D56-M59 VanDerWaalsContact O-N 3.11Å; L57-M59 VanDerWaalsContact C-N 3.3Å; L57-M59 PolarHBondContact O-N 3.25Å; M59-L62 PolarHBondContact O-N 3.12Å; M59-W63 VanDerWaalsContact O-CB 3.29Å; M59-W63 WeakPolarHBondContact O-CB 3.35Å; M59-W63 PolarHBondContact O-N 2.85Å; M59-L342 HydrophobicContact CB-CD1 4.42Å; M59-L342 HydrophobicContact CG-CD1 3.5Å; M59-L342 VanDerWaalsContact CG-CD1 3.5Å; M59-L342 HydrophobicContact CG-CD2 3.83Å; M59-L342 HydrophobicContact CG-CG 4.32Å; M59-L342 HydrophobicContact SD-CD2 4.32Å
60	V	97.9	Very high	96.8	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-65.6	-42.3	179.1	-177.9	0	0	0	0	110.9	D56 L57 L62 W63 K64 I87 H90 E91 L94	D56-V60 WeakPolarHBondContact O-CG2 3.32Å; D56-V60 PolarHBondContact O-N 2.95Å; L57-V60 PolarHBondContact O-N 2.66Å; V60-L62 PolarHBondContact O-N 3.09Å; V60-W63 PolarHBondContact O-N 3.3Å; V60-K64 PolarHBondContact O-N 3.47Å; V60-I87 HydrophobicContact CG1-CG2 4.31Å; V60-I87 VanDerWaalsContact CG1-O 3.23Å; V60-I87 WeakPolarHBondContact CG1-O 3.48Å; V60-H90 HydrophobicContact CG2-CB 4.43Å; V60-E91 HydrophobicContact CB-CB 4.28Å; V60-E91 HydrophobicContact CG1-CB 3.75Å; V60-L94 HydrophobicContact CG2-CD1 4.32Å
61	E	97.9	Very high	96.7	Very high	3 Å²	3	21 Å²	21	1%	0.014	10%	0.1	C	C	.	.	H	α-helix	trans	-55.2	-52.8	176.6	-173.4	-163.7	-174.8	0	0	110.9	L57 I58 W63 K64 Q65 R124	L57-E61 WeakPolarHBondContact O-CB 3.47Å; L57-E61 PolarHBondContact O-N 2.94Å; I58-E61 PolarHBondContact O-N 3.47Å; E61-W63 PolarHBondContact O-N 2.85Å; E61-K64 PolarHBondContact O-N 3Å; E61-Q65 WeakPolarHBondContact O-CG 3.43Å; E61-Q65 PolarHBondContact O-N 3.44Å; E61-Q65 PolarHBondContact OE1-NE2 2.91Å; E61-R124 WeakPolarHBondContact OE1-CD 3.42Å; E61-R124 IonicContact OE1-CZ 3.25Å; E61-R124 IonicContact OE1-NE 3.63Å; E61-R124 PolarHBondContact OE1-NE 3.28Å; E61-R124 IonicContact OE1-NH2 3Å; E61-R124 IonicContact OE2-CZ 3.73Å; E61-R124 IonicContact OE2-NE 2.81Å; E61-R124 PolarHBondContact OE2-NE 2.6Å; E61-R124 IonicContact OE2-NH2 2.8Å; E61-R124 PolarHBondContact OE2-NH2 3.27Å
62	L	97.2	Very high	96.5	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-64.8	-39	179	-78.3	179.2	0	0	0	112.2	Y6 I58 M59 V60 K64 Q65 K66 R339 L342 V343	Y6-L62 WeakPolarHBondContact OH-CB 3.46Å; I58-L62 HydrophobicContact CG2-CD1 4.19Å; I58-L62 HydrophobicContact CG2-CG 4.41Å; I58-L62 WeakPolarHBondContact O-CB 3.47Å; I58-L62 WeakPolarHBondContact O-CG 3.33Å; I58-L62 PolarHBondContact O-N 2.85Å; M59-L62 PolarHBondContact O-N 3.12Å; V60-L62 PolarHBondContact O-N 3.09Å; L62-K64 VanDerWaalsContact C-N 3.33Å; L62-K64 PolarHBondContact O-N 3.19Å; L62-Q65 PolarHBondContact O-N 3.42Å; L62-K66 WeakPolarHBondContact O-CB 3.07Å; L62-K66 WeakPolarHBondContact O-CG 3.25Å; L62-K66 PolarHBondContact O-N 3.46Å; L62-R339 HydrophobicContact CD1-CG 3.96Å; L62-R339 HydrophobicContact CD2-CG 4.16Å; L62-R339 HydrophobicContact CG-CG 4.25Å; L62-L342 HydrophobicContact CD1-CB 3.53Å; L62-L342 HydrophobicContact CD1-CD1 3.93Å; L62-L342 HydrophobicContact CD1-CG 4.39Å; L62-V343 HydrophobicContact CD1-CG2 4.07Å; L62-V343 HydrophobicContact CD2-CG2 4.03Å
63	W	97.6	Very high	96.3	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.008	11%	0.113	C	C	.	.	H	α-helix	trans	-61.3	-43.4	177.2	-171.6	97.5	0	0	0	110.7	Y6 F9 M59 V60 E61 K66 V67 F68 I71 L84 I87 F357	Y6-W63 HydrophobicContact CD1-CB 4.33Å; Y6-W63 AromaticContact CD1-CD1 3.66Å; Y6-W63 HydrophobicContact CD1-CG 4.35Å; Y6-W63 HydrophobicContact CE1-CB 3.74Å; Y6-W63 AromaticContact CE1-CD1 3.95Å; Y6-W63 HydrophobicContact CE1-CG 4.24Å; F9-W63 AromaticContact CD2-CD1 3.7Å; F9-W63 HydrophobicContact CD2-CD2 4.26Å; F9-W63 HydrophobicContact CD2-CG 4.03Å; F9-W63 AromaticContact CD2-NE1 3.74Å; F9-W63 HydrophobicContact CE2-CB 4.27Å; F9-W63 AromaticContact CE2-CD1 3.94Å; F9-W63 AromaticContact CE2-CG 4Å; F9-W63 HydrophobicContact CE2-CG 4Å; M59-W63 VanDerWaalsContact O-CB 3.29Å; M59-W63 WeakPolarHBondContact O-CB 3.35Å; M59-W63 PolarHBondContact O-N 2.85Å; V60-W63 PolarHBondContact O-N 3.3Å; E61-W63 PolarHBondContact O-N 2.85Å; W63-K66 PolarHBondContact O-N 3.23Å; W63-V67 HydrophobicContact CD2-CB 3.94Å; W63-V67 HydrophobicContact CD2-CG1 4.29Å; W63-V67 HydrophobicContact CG-CB 4.06Å; W63-V67 HydrophobicContact CG-CG2 4.2Å; W63-V67 HydrophobicContact CH2-CG1 4.47Å; W63-V67 HydrophobicContact CZ2-CB 4.22Å; W63-V67 HydrophobicContact CZ2-CG1 3.67Å; W63-V67 WeakPolarHBondContact O-CA 3.47Å; W63-V67 VanDerWaalsContact O-CB 3.25Å; W63-V67 WeakPolarHBondContact O-CB 3.42Å; W63-V67 PolarHBondContact O-N 2.64Å; W63-F68 HydrophobicContact CE3-CB 4.09Å; W63-F68 HydrophobicContact CH2-CB 4.33Å; W63-F68 HydrophobicContact CZ3-CB 3.65Å; W63-F68 HydrophobicContact CZ3-CD2 4.26Å; W63-F68 HydrophobicContact CZ3-CG 4.31Å; W63-F68 PolarHBondContact O-N 3.02Å; W63-I71 HydrophobicContact CH2-CD1 4.18Å; W63-I71 HydrophobicContact CZ2-CD1 4.23Å; W63-L84 HydrophobicContact CH2-CD2 3.68Å; W63-L84 HydrophobicContact CZ3-CD2 4.46Å; W63-I87 HydrophobicContact CD2-CG2 4.09Å; W63-I87 HydrophobicContact CE3-CG2 3.55Å; W63-I87 HydrophobicContact CH2-CD1 4.07Å; W63-I87 HydrophobicContact CH2-CG2 4.32Å; W63-I87 HydrophobicContact CZ2-CD1 4.13Å; W63-I87 HydrophobicContact CZ3-CB 4.32Å; W63-I87 HydrophobicContact CZ3-CD1 4.47Å; W63-I87 HydrophobicContact CZ3-CG2 3.67Å; W63-F357 HydrophobicContact CH2-CE1 4.4Å; W63-F357 HydrophobicContact CH2-CZ 4.41Å; W63-F357 HydrophobicContact CZ2-CD1 4.16Å; W63-F357 AromaticContact CZ2-CD2 3.94Å; W63-F357 HydrophobicContact CZ2-CD2 3.94Å; W63-F357 HydrophobicContact CZ2-CE1 4.36Å; W63-F357 HydrophobicContact CZ2-CE2 4.15Å; W63-F357 AromaticContact CZ2-CG 3.94Å; W63-F357 HydrophobicContact CZ2-CG 3.94Å; W63-F357 HydrophobicContact CZ2-CZ 4.34Å
64	K	96.2	Very high	96	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.009	13%	0.131	C	C	.	.	I	π-helix	trans	-63.2	-44.8	174.2	-70.9	-165.7	-51.6	-164.6	0	112.1	V60 E61 L62 K66 F68 K69 I88 E91 Y162 E166	V60-K64 PolarHBondContact O-N 3.47Å; E61-K64 PolarHBondContact O-N 3Å; L62-K64 VanDerWaalsContact C-N 3.33Å; L62-K64 PolarHBondContact O-N 3.19Å; K64-K66 VanDerWaalsContact C-N 3.33Å; K64-K66 PolarHBondContact O-N 2.94Å; K64-F68 HydrophobicContact CB-CB 4.42Å; K64-F68 WeakPolarHBondContact O-CB 3.38Å; K64-K69 PolarHBondContact O-N 2.89Å; K64-I88 HydrophobicContact CD-CB 4.14Å; K64-I88 HydrophobicContact CD-CG1 4Å; K64-I88 HydrophobicContact CD-CG2 3.88Å; K64-I88 HydrophobicContact CG-CG1 4.43Å; K64-E91 WeakPolarHBondContact CE-OE2 3.46Å; K64-E91 IonicContact NZ-OE2 2.67Å; K64-E91 PolarHBondContact NZ-OE2 3.48Å; K64-Y162 HydrophobicContact CB-CE2 4.17Å; K64-Y162 HydrophobicContact CD-CD2 4.04Å; K64-Y162 HydrophobicContact CD-CE2 3.87Å; K64-E166 VanDerWaalsContact CE-OE1 3.29Å; K64-E166 WeakPolarHBondContact CE-OE1 3.08Å; K64-E166 IonicContact NZ-OE1 2.64Å; K64-E166 PolarHBondContact NZ-OE1 2.91Å
65	Q	95.1	Very high	95.5	Very high	55 Å²	55	34.5 Å²	34.5	26%	0.257	17%	0.168	S	C	.	.	I	π-helix	trans	-65.8	-32.5	-179.2	-71.3	175.2	10.8	0	0	113.6	E61 L62 K69	E61-Q65 WeakPolarHBondContact O-CG 3.43Å; E61-Q65 PolarHBondContact O-N 3.44Å; E61-Q65 PolarHBondContact OE1-NE2 2.91Å; L62-Q65 PolarHBondContact O-N 3.42Å; Q65-K69 WeakPolarHBondContact O-CD 3.27Å
66	K	96.4	Very high	95.1	Very high	89 Å²	89	37.9 Å²	37.9	39%	0.387	18%	0.184	S	C	.	.	I	π-helix	trans	-113.3	-28	-169.6	-61	-62	-175.3	-177.2	0	115.1	L62 W63 K64 I70 W350	L62-K66 WeakPolarHBondContact O-CB 3.07Å; L62-K66 WeakPolarHBondContact O-CG 3.25Å; L62-K66 PolarHBondContact O-N 3.46Å; W63-K66 PolarHBondContact O-N 3.23Å; K64-K66 VanDerWaalsContact C-N 3.33Å; K64-K66 PolarHBondContact O-N 2.94Å; K66-I70 WeakPolarHBondContact O-CD1 3.09Å; K66-I70 VanDerWaalsContact O-CG1 3.26Å; K66-I70 WeakPolarHBondContact O-CG1 3.34Å; K66-W350 HydrophobicContact CB-CB 4.26Å; K66-W350 HydrophobicContact CB-CD2 3.55Å; K66-W350 HydrophobicContact CB-CE3 3.58Å; K66-W350 HydrophobicContact CB-CG 3.86Å; K66-W350 HydrophobicContact CB-CZ3 4.11Å; K66-W350 HydrophobicContact CG-CD2 4.01Å; K66-W350 HydrophobicContact CG-CE3 4.26Å; K66-W350 HydrophobicContact CG-CG 4.43Å; K66-W350 HydrophobicContact CG-CH2 4.46Å; K66-W350 HydrophobicContact CG-CZ2 4.23Å; K66-W350 HydrophobicContact CG-CZ3 4.48Å
67	V	96.4	Very high	94.7	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.205	C	C	.	.	I	π-helix	trans	-108.1	-54.2	-176.3	-176.7	0	0	0	0	110.4	W63 K69 I70 I71 W350 L353 A354	W63-V67 HydrophobicContact CD2-CB 3.94Å; W63-V67 HydrophobicContact CD2-CG1 4.29Å; W63-V67 HydrophobicContact CG-CB 4.06Å; W63-V67 HydrophobicContact CG-CG2 4.2Å; W63-V67 HydrophobicContact CH2-CG1 4.47Å; W63-V67 HydrophobicContact CZ2-CB 4.22Å; W63-V67 HydrophobicContact CZ2-CG1 3.67Å; W63-V67 WeakPolarHBondContact O-CA 3.47Å; W63-V67 VanDerWaalsContact O-CB 3.25Å; W63-V67 WeakPolarHBondContact O-CB 3.42Å; W63-V67 PolarHBondContact O-N 2.64Å; V67-K69 VanDerWaalsContact C-N 3.31Å; V67-K69 PolarHBondContact O-N 3.36Å; V67-I70 WeakPolarHBondContact O-CA 3.16Å; V67-I70 WeakPolarHBondContact O-CB 3.39Å; V67-I70 PolarHBondContact O-N 3.35Å; V67-I71 HydrophobicContact CG1-CD1 4.05Å; V67-I71 PolarHBondContact O-N 2.84Å; V67-W350 HydrophobicContact CG2-CE3 3.96Å; V67-L353 HydrophobicContact CG2-CB 4.1Å; V67-L353 HydrophobicContact CG2-CD1 4.47Å; V67-A354 HydrophobicContact CG1-CB 3.86Å
68	F	95.6	Very high	94.3	Very high	1 Å²	1	43.3 Å²	43.3	0%	0.004	21%	0.211	C	C	.	.	I	π-helix	trans	-56.8	-43.5	179.9	-178.2	-117.2	0	0	0	112.4	W63 K64 I70 I71 L72 L84 I88 L158 Y162	W63-F68 HydrophobicContact CE3-CB 4.09Å; W63-F68 HydrophobicContact CH2-CB 4.33Å; W63-F68 HydrophobicContact CZ3-CB 3.65Å; W63-F68 HydrophobicContact CZ3-CD2 4.26Å; W63-F68 HydrophobicContact CZ3-CG 4.31Å; W63-F68 PolarHBondContact O-N 3.02Å; K64-F68 HydrophobicContact CB-CB 4.42Å; K64-F68 WeakPolarHBondContact O-CB 3.38Å; F68-I70 VanDerWaalsContact C-N 3.28Å; F68-I70 PolarHBondContact O-N 3.12Å; F68-I71 WeakPolarHBondContact O-CB 3.42Å; F68-I71 PolarHBondContact O-N 3.25Å; F68-I71 VanDerWaalsContact O-N 3.16Å; F68-L72 HydrophobicContact CD1-CD1 4.03Å; F68-L72 HydrophobicContact CD1-CG 4.45Å; F68-L72 HydrophobicContact CD2-CG 4.46Å; F68-L72 HydrophobicContact CE1-CD1 3.42Å; F68-L72 VanDerWaalsContact CE1-CD1 3.42Å; F68-L72 HydrophobicContact CE1-CG 4.05Å; F68-L72 HydrophobicContact CE2-CD1 4.27Å; F68-L72 HydrophobicContact CE2-CD2 4.08Å; F68-L72 HydrophobicContact CE2-CG 4.03Å; F68-L72 HydrophobicContact CZ-CD1 3.56Å; F68-L72 HydrophobicContact CZ-CD2 3.96Å; F68-L72 HydrophobicContact CZ-CG 3.83Å; F68-L72 PolarHBondContact O-N 2.91Å; F68-L84 HydrophobicContact CD2-CD2 4.12Å; F68-L84 HydrophobicContact CE2-CB 4.48Å; F68-L84 HydrophobicContact CE2-CD2 4.43Å; F68-I88 HydrophobicContact CD1-CD1 4.46Å; F68-I88 HydrophobicContact CD2-CD1 4.09Å; F68-I88 HydrophobicContact CE1-CD1 3.91Å; F68-I88 HydrophobicContact CE2-CD1 3.51Å; F68-I88 HydrophobicContact CE2-CG1 4.4Å; F68-I88 HydrophobicContact CZ-CD1 3.39Å; F68-I88 HydrophobicContact CZ-CG1 4.41Å; F68-L158 HydrophobicContact CE2-CB 4.45Å; F68-L158 HydrophobicContact CZ-CB 4.22Å; F68-Y162 AromaticContact CD1-CD2 3.84Å; F68-Y162 HydrophobicContact CD1-CD2 3.84Å; F68-Y162 HydrophobicContact CD1-CE2 4.18Å; F68-Y162 HydrophobicContact CD1-CG 4.41Å; F68-Y162 AromaticContact CE1-CD2 3.57Å; F68-Y162 HydrophobicContact CE1-CD2 3.57Å; F68-Y162 HydrophobicContact CE1-CE2 4.31Å; F68-Y162 AromaticContact CE1-CG 3.73Å; F68-Y162 HydrophobicContact CE1-CG 3.73Å
69	K	93.6	Very high	93.9	Very high	115 Å²	115	47.8 Å²	47.8	50%	0.5	24%	0.239	S	C	.	.	H	α-helix	trans	-60.1	-34.6	175.2	-69.3	-170.5	-176.3	-177.3	0	113.5	K64 Q65 V67 S73	K64-K69 PolarHBondContact O-N 2.89Å; Q65-K69 WeakPolarHBondContact O-CD 3.27Å; V67-K69 VanDerWaalsContact C-N 3.31Å; V67-K69 PolarHBondContact O-N 3.36Å; K69-S73 WeakPolarHBondContact O-CB 3.3Å; K69-S73 PolarHBondContact O-N 3.38Å; K69-S73 PolarHBondContact O-OG 2.92Å
70	I	95.1	Very high	93.5	Very high	33 Å²	33	50.2 Å²	50.2	17%	0.169	26%	0.256	C	S	.	.	H	α-helix	trans	-68	-47.5	175.1	-64	176.7	0	0	0	109.4	K66 V67 F68 L72 S73 D74 W350 R351 A354	K66-I70 WeakPolarHBondContact O-CD1 3.09Å; K66-I70 VanDerWaalsContact O-CG1 3.26Å; K66-I70 WeakPolarHBondContact O-CG1 3.34Å; V67-I70 WeakPolarHBondContact O-CA 3.16Å; V67-I70 WeakPolarHBondContact O-CB 3.39Å; V67-I70 PolarHBondContact O-N 3.35Å; F68-I70 VanDerWaalsContact C-N 3.28Å; F68-I70 PolarHBondContact O-N 3.12Å; I70-L72 VanDerWaalsContact C-N 3.32Å; I70-L72 PolarHBondContact O-N 3.02Å; I70-S73 WeakPolarHBondContact CA-OG 3.34Å; I70-S73 PolarHBondContact O-N 3.49Å; I70-S73 PolarHBondContact O-OG 2.98Å; I70-D74 PolarHBondContact O-N 3.26Å; I70-D74 VanDerWaalsContact O-N 3.14Å; I70-W350 HydrophobicContact CD1-CB 4.16Å; I70-R351 HydrophobicContact CD1-CB 4.28Å; I70-A354 HydrophobicContact CB-CB 4.14Å; I70-A354 HydrophobicContact CG2-CB 3.87Å
71	I	93.3	Very high	93.2	Very high	6 Å²	6	51.3 Å²	51.3	3%	0.031	26%	0.264	C	S	.	.	H	α-helix	trans	-56.5	-46.5	179	-65.7	173.3	0	0	0	110.8	W63 V67 F68 S73 D74 L84 A354 F357 K358	W63-I71 HydrophobicContact CH2-CD1 4.18Å; W63-I71 HydrophobicContact CZ2-CD1 4.23Å; V67-I71 HydrophobicContact CG1-CD1 4.05Å; V67-I71 PolarHBondContact O-N 2.84Å; F68-I71 WeakPolarHBondContact O-CB 3.42Å; F68-I71 PolarHBondContact O-N 3.25Å; F68-I71 VanDerWaalsContact O-N 3.16Å; I71-S73 VanDerWaalsContact C-N 3.33Å; I71-S73 PolarHBondContact O-N 3.36Å; I71-D74 PolarHBondContact O-N 3.19Å; I71-L84 HydrophobicContact CD1-CD2 4.02Å; I71-L84 HydrophobicContact CG2-CD1 4.13Å; I71-A354 HydrophobicContact CG1-CB 3.94Å; I71-F357 HydrophobicContact CD1-CD1 3.69Å; I71-F357 HydrophobicContact CD1-CE1 4.34Å; I71-F357 HydrophobicContact CD1-CG 4.41Å; I71-K358 HydrophobicContact CG1-CG 4.47Å
72	L	91.2	Very high	92.9	Very high	40 Å²	40	52.9 Å²	52.9	21%	0.209	27%	0.27	C	S	.	.	H	α-helix	trans	-65	-35.6	175.8	-69.2	-174.4	0	0	0	112.8	F68 I70 D74 K75 L155	F68-L72 HydrophobicContact CD1-CD1 4.03Å; F68-L72 HydrophobicContact CD1-CG 4.45Å; F68-L72 HydrophobicContact CD2-CG 4.46Å; F68-L72 HydrophobicContact CE1-CD1 3.42Å; F68-L72 VanDerWaalsContact CE1-CD1 3.42Å; F68-L72 HydrophobicContact CE1-CG 4.05Å; F68-L72 HydrophobicContact CE2-CD1 4.27Å; F68-L72 HydrophobicContact CE2-CD2 4.08Å; F68-L72 HydrophobicContact CE2-CG 4.03Å; F68-L72 HydrophobicContact CZ-CD1 3.56Å; F68-L72 HydrophobicContact CZ-CD2 3.96Å; F68-L72 HydrophobicContact CZ-CG 3.83Å; F68-L72 PolarHBondContact O-N 2.91Å; I70-L72 VanDerWaalsContact C-N 3.32Å; I70-L72 PolarHBondContact O-N 3.02Å; L72-D74 VanDerWaalsContact C-N 3.26Å; L72-D74 PolarHBondContact O-N 3.45Å; L72-K75 PolarHBondContact O-N 3Å; L72-L155 HydrophobicContact CD2-CD2 3.87Å
73	S	92.2	Very high	92.8	Very high	78 Å²	78	53.3 Å²	53.3	55%	0.545	27%	0.273	S	S	.	.	H	α-helix	trans	-67.6	-26.1	-179.5	73.1	0	0	0	0	113.6	K69 I70 I71 K75	K69-S73 WeakPolarHBondContact O-CB 3.3Å; K69-S73 PolarHBondContact O-N 3.38Å; K69-S73 PolarHBondContact O-OG 2.92Å; I70-S73 WeakPolarHBondContact CA-OG 3.34Å; I70-S73 PolarHBondContact O-N 3.49Å; I70-S73 PolarHBondContact O-OG 2.98Å; I71-S73 VanDerWaalsContact C-N 3.33Å; I71-S73 PolarHBondContact O-N 3.36Å; S73-K75 PolarHBondContact O-N 3.35Å
74	D	91.6	Very high	92.6	Very high	71 Å²	71	53.5 Å²	53.5	38%	0.38	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-16.9	177.3	-63.3	-19.3	0	0	0	112.1	I70 I71 L72 E76 K358	I70-D74 PolarHBondContact O-N 3.26Å; I70-D74 VanDerWaalsContact O-N 3.14Å; I71-D74 PolarHBondContact O-N 3.19Å; L72-D74 VanDerWaalsContact C-N 3.26Å; L72-D74 PolarHBondContact O-N 3.45Å; D74-E76 HydrophobicContact CB-CG 4.39Å; D74-E76 PolarHBondContact O-N 3.08Å; D74-E76 VanDerWaalsContact O-N 3.08Å; D74-K358 VanDerWaalsContact CB-NZ 3.27Å; D74-K358 IonicContact OD2-NZ 2.84Å; D74-K358 PolarHBondContact OD2-NZ 2.67Å
75	K	87.7	Confident	92.6	Very high	176 Å²	176	56.1 Å²	56.1	77%	0.765	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	23	179	-58.5	-179	-179	179.4	0	114.8	L72 S73	L72-K75 PolarHBondContact O-N 3Å; S73-K75 PolarHBondContact O-N 3.35Å
76	E	89.2	Confident	92.5	Very high	120 Å²	120	53.5 Å²	53.5	56%	0.561	27%	0.272	S	S	*	.	P	Polyproline II helix	trans	-83.9	125.1	173.5	-68.1	173.8	166.3	0	0	109.7	D74 P78 K358	D74-E76 HydrophobicContact CB-CG 4.39Å; D74-E76 PolarHBondContact O-N 3.08Å; D74-E76 VanDerWaalsContact O-N 3.08Å; E76-P78 WeakPolarHBondContact O-CD 3.46Å; E76-K358 IonicContact OE2-NZ 2.96Å; E76-K358 PolarHBondContact OE2-NZ 3.36Å
77	E	90.8	Very high	92.5	Very high	95 Å²	95	49.2 Å²	49.2	44%	0.444	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-73.5	118.1	-178.5	-171.2	70.1	-167.6	0	0	110.4	S153 N154 L155	E77-S153 WeakPolarHBondContact OE1-CB 3.28Å; E77-N154 WeakPolarHBondContact OE1-CA 3.48Å; E77-N154 WeakPolarHBondContact OE1-CB 3.35Å; E77-N154 PolarHBondContact OE1-N 3.44Å; E77-L155 PolarHBondContact OE1-N 3.17Å; E77-L155 WeakPolarHBondContact OE2-CB 3.33Å; E77-L155 WeakPolarHBondContact OE2-CD1 3.38Å; E77-L155 VanDerWaalsContact OE2-CG 3.24Å; E77-L155 WeakPolarHBondContact OE2-CG 3.35Å
78	P	90.2	Very high	92.5	Very high	20 Å²	20	49.2 Å²	49.2	13%	0.13	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-73.5	149.3	178.4	30.6	-33.5	0	0	0	110.7	E76 S80 L84 N154 L158	E76-P78 WeakPolarHBondContact O-CD 3.46Å; P78-S80 PolarHBondContact O-N 3.02Å; P78-L84 HydrophobicContact CG-CD1 4.42Å; P78-N154 HydrophobicContact CG-CB 3.9Å; P78-N154 PolarHBondContact O-ND2 2.96Å; P78-L158 HydrophobicContact CG-CD1 4.05Å
79	T	89	Confident	92.4	Very high	94 Å²	94	51.5 Å²	51.5	58%	0.577	26%	0.263	S	S	*	.	S	Bend	trans	-60.5	-33.4	177.9	-59.3	0	0	0	0	111.8	E362	T79-E362 WeakPolarHBondContact CB-OE1 3.41Å; T79-E362 WeakPolarHBondContact CB-OE2 3.5Å; T79-E362 PolarHBondContact N-OE1 3.31Å; T79-E362 VanDerWaalsContact OG1-CD 3.31Å; T79-E362 PolarHBondContact OG1-OE1 3.16Å; T79-E362 PolarHBondContact OG1-OE2 3.26Å
80	S	90.3	Very high	92.6	Very high	55 Å²	55	46 Å²	46	39%	0.385	24%	0.239	S	C	.	.			trans	-142.8	139	177	-178.8	0	0	0	0	110.5	P78 F82	P78-S80 PolarHBondContact O-N 3.02Å; S80-F82 VanDerWaalsContact C-N 3.27Å; S80-F82 WeakPolarHBondContact OG-CB 3.28Å; S80-F82 PolarHBondContact OG-N 3.44Å
81	S	90.7	Very high	92.7	Very high	23 Å²	23	44.5 Å²	44.5	16%	0.161	23%	0.231	C	C	.	.	S	Bend	trans	-72.8	-20.6	171.4	58.4	0	0	0	0	112.7	L84 Y85 L158	S81-L84 PolarHBondContact O-N 3.12Å; S81-Y85 WeakPolarHBondContact O-CB 3.36Å; S81-Y85 PolarHBondContact O-N 2.89Å; S81-L158 WeakPolarHBondContact O-CD2 3.22Å
82	F	92.7	Very high	92.9	Very high	36 Å²	36	44.7 Å²	44.7	16%	0.158	23%	0.232	C	C	.	.	H	α-helix	trans	-54.7	-49	-169.8	177.8	-90.9	0	0	0	114.9	F15 S80 L84 Y85 T86 S370 A373 A374 W377	F15-F82 HydrophobicContact CD1-CE1 4.33Å; F15-F82 HydrophobicContact CE1-CD1 4.28Å; F15-F82 AromaticContact CE1-CE1 3.72Å; F15-F82 HydrophobicContact CE1-CE1 3.72Å; F15-F82 HydrophobicContact CZ-CD1 4.45Å; F15-F82 HydrophobicContact CZ-CE1 4.19Å; S80-F82 VanDerWaalsContact C-N 3.27Å; S80-F82 WeakPolarHBondContact OG-CB 3.28Å; S80-F82 PolarHBondContact OG-N 3.44Å; F82-L84 VanDerWaalsContact C-N 3.34Å; F82-L84 PolarHBondContact O-N 2.89Å; F82-Y85 PolarHBondContact O-N 3.39Å; F82-T86 WeakPolarHBondContact O-CB 3.5Å; F82-T86 PolarHBondContact O-N 2.9Å; F82-T86 PolarHBondContact O-OG1 3.13Å; F82-S370 WeakPolarHBondContact CE1-O 3.36Å; F82-A373 HydrophobicContact CE1-CB 4.03Å; F82-A373 HydrophobicContact CZ-CB 4.22Å; F82-A374 HydrophobicContact CD2-CB 4.08Å; F82-A374 HydrophobicContact CE1-CB 4.12Å; F82-A374 HydrophobicContact CE2-CB 3.62Å; F82-A374 HydrophobicContact CG-CB 4.49Å; F82-A374 VanDerWaalsContact CZ-CA 3.41Å; F82-A374 HydrophobicContact CZ-CB 3.66Å; F82-W377 HydrophobicContact CD2-CE3 4.43Å; F82-W377 HydrophobicContact CD2-CZ3 4.45Å; F82-W377 AromaticContact CE2-CE3 3.36Å; F82-W377 HydrophobicContact CE2-CE3 3.36Å; F82-W377 AromaticContact CE2-CZ3 3.73Å; F82-W377 HydrophobicContact CE2-CZ3 3.73Å; F82-W377 AromaticContact CZ-CE3 3.59Å; F82-W377 HydrophobicContact CZ-CE3 3.59Å; F82-W377 HydrophobicContact CZ-CZ3 4.1Å
83	P	93.8	Very high	93.1	Very high	8 Å²	8	43 Å²	43	5%	0.052	22%	0.223	C	C	.	.	H	α-helix	trans	-63.1	-41.3	-176.9	-22.7	35.4	0	0	0	112.5	F15 I87 F357 T361 S370	F15-P83 HydrophobicContact CZ-CB 4.15Å; P83-I87 WeakPolarHBondContact O-CG1 3.49Å; P83-I87 PolarHBondContact O-N 3.18Å; P83-F357 HydrophobicContact CB-CZ 4.27Å; P83-T361 HydrophobicContact CB-CG2 3.8Å; P83-T361 HydrophobicContact CG-CG2 4.33Å; P83-S370 WeakPolarHBondContact CG-OG 3.34Å
84	L	94.7	Very high	93.4	Very high	7 Å²	7	39.3 Å²	39.3	4%	0.037	20%	0.197	C	C	.	.	H	α-helix	trans	-69.5	-46.7	178	-73.4	171.6	0	0	0	110.9	W63 F68 I71 P78 S81 F82 T86 I87 I88 L158 F357	W63-L84 HydrophobicContact CH2-CD2 3.68Å; W63-L84 HydrophobicContact CZ3-CD2 4.46Å; F68-L84 HydrophobicContact CD2-CD2 4.12Å; F68-L84 HydrophobicContact CE2-CB 4.48Å; F68-L84 HydrophobicContact CE2-CD2 4.43Å; I71-L84 HydrophobicContact CD1-CD2 4.02Å; I71-L84 HydrophobicContact CG2-CD1 4.13Å; P78-L84 HydrophobicContact CG-CD1 4.42Å; S81-L84 PolarHBondContact O-N 3.12Å; F82-L84 VanDerWaalsContact C-N 3.34Å; F82-L84 PolarHBondContact O-N 2.89Å; L84-T86 VanDerWaalsContact C-N 3.34Å; L84-T86 PolarHBondContact O-N 3.45Å; L84-I87 PolarHBondContact O-N 3.3Å; L84-I88 WeakPolarHBondContact O-CD1 3.41Å; L84-I88 VanDerWaalsContact O-CG1 3.26Å; L84-I88 WeakPolarHBondContact O-CG1 3.32Å; L84-I88 PolarHBondContact O-N 2.99Å; L84-L158 HydrophobicContact CB-CD1 3.92Å; L84-L158 HydrophobicContact CB-CD2 3.53Å; L84-L158 HydrophobicContact CB-CG 4.39Å; L84-L158 HydrophobicContact CD1-CD1 3.46Å; L84-L158 VanDerWaalsContact CD1-CD1 3.46Å; L84-L158 HydrophobicContact CG-CD1 4.31Å; L84-F357 HydrophobicContact CD2-CD1 4.09Å; L84-F357 HydrophobicContact CD2-CE1 3.28Å; L84-F357 HydrophobicContact CD2-CZ 3.87Å; L84-F357 HydrophobicContact CG-CE1 3.86Å; L84-F357 HydrophobicContact CG-CZ 4.38Å
85	Y	94.1	Very high	93.7	Very high	56 Å²	56	36 Å²	36	22%	0.22	18%	0.179	C	C	.	.	H	α-helix	trans	-56.8	-46.9	177.1	169.9	-104.6	0	0	0	111.9	S81 F82 I87 I88 Y89 Q161 I165 W377	S81-Y85 WeakPolarHBondContact O-CB 3.36Å; S81-Y85 PolarHBondContact O-N 2.89Å; F82-Y85 PolarHBondContact O-N 3.39Å; Y85-I87 VanDerWaalsContact C-N 3.28Å; Y85-I87 PolarHBondContact O-N 3.33Å; Y85-I88 PolarHBondContact O-N 3.37Å; Y85-Y89 WeakPolarHBondContact O-CB 3.35Å; Y85-Y89 PolarHBondContact O-N 3.02Å; Y85-Q161 HydrophobicContact CD2-CB 3.79Å; Y85-Q161 HydrophobicContact CD2-CG 3.8Å; Y85-Q161 HydrophobicContact CE2-CB 4.07Å; Y85-Q161 HydrophobicContact CE2-CG 3.97Å; Y85-I165 HydrophobicContact CD2-CD1 4.42Å; Y85-I165 HydrophobicContact CE2-CD1 3.97Å; Y85-W377 HydrophobicContact CD1-CH2 4.1Å; Y85-W377 HydrophobicContact CD1-CZ3 4.18Å; Y85-W377 AromaticContact CE1-CH2 3.62Å; Y85-W377 HydrophobicContact CE1-CH2 3.62Å; Y85-W377 HydrophobicContact CE1-CZ3 4.08Å
86	T	94.7	Very high	94.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-58.5	-41.7	-178.9	-47.9	0	0	0	0	110.9	W14 F15 F82 L84 H90 W377	W14-T86 HydrophobicContact CH2-CG2 3.62Å; W14-T86 HydrophobicContact CZ3-CG2 3.67Å; F15-T86 HydrophobicContact CD1-CG2 4.36Å; F15-T86 HydrophobicContact CE1-CG2 4.33Å; F82-T86 WeakPolarHBondContact O-CB 3.5Å; F82-T86 PolarHBondContact O-N 2.9Å; F82-T86 PolarHBondContact O-OG1 3.13Å; L84-T86 VanDerWaalsContact C-N 3.34Å; L84-T86 PolarHBondContact O-N 3.45Å; T86-H90 WeakPolarHBondContact O-CB 3.34Å; T86-H90 PolarHBondContact O-N 2.96Å; T86-W377 HydrophobicContact CG2-CE3 4.27Å; T86-W377 HydrophobicContact CG2-CH2 4.09Å; T86-W377 HydrophobicContact CG2-CZ3 3.65Å; T86-W377 WeakPolarHBondContact OG1-CZ3 3.42Å
87	I	95.9	Very high	94.4	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-65.9	-42.4	177.3	-66.7	167	0	0	0	110.6	F9 W14 V60 W63 P83 L84 Y85 H90 F357	F9-I87 HydrophobicContact CB-CD1 4.11Å; F9-I87 HydrophobicContact CD2-CD1 4.15Å; F9-I87 HydrophobicContact CD2-CG1 4.5Å; F9-I87 HydrophobicContact CD2-CG2 4.23Å; F9-I87 HydrophobicContact CE2-CG2 4.34Å; W14-I87 HydrophobicContact CD2-CG1 4.45Å; W14-I87 HydrophobicContact CE3-CG1 4.29Å; W14-I87 HydrophobicContact CH2-CB 4.03Å; W14-I87 HydrophobicContact CH2-CG1 3.3Å; W14-I87 HydrophobicContact CZ2-CB 4.12Å; W14-I87 HydrophobicContact CZ2-CG1 3.46Å; W14-I87 VanDerWaalsContact CZ2-CG1 3.46Å; W14-I87 HydrophobicContact CZ3-CG1 3.73Å; V60-I87 HydrophobicContact CG1-CG2 4.31Å; V60-I87 VanDerWaalsContact CG1-O 3.23Å; V60-I87 WeakPolarHBondContact CG1-O 3.48Å; W63-I87 HydrophobicContact CD2-CG2 4.09Å; W63-I87 HydrophobicContact CE3-CG2 3.55Å; W63-I87 HydrophobicContact CH2-CD1 4.07Å; W63-I87 HydrophobicContact CH2-CG2 4.32Å; W63-I87 HydrophobicContact CZ2-CD1 4.13Å; W63-I87 HydrophobicContact CZ3-CB 4.32Å; W63-I87 HydrophobicContact CZ3-CD1 4.47Å; W63-I87 HydrophobicContact CZ3-CG2 3.67Å; P83-I87 WeakPolarHBondContact O-CG1 3.49Å; P83-I87 PolarHBondContact O-N 3.18Å; L84-I87 PolarHBondContact O-N 3.3Å; Y85-I87 VanDerWaalsContact C-N 3.28Å; Y85-I87 PolarHBondContact O-N 3.33Å; I87-H90 VanDerWaalsContact O-CB 3.3Å; I87-H90 WeakPolarHBondContact O-CB 3.47Å; I87-H90 PolarHBondContact O-N 3.26Å; I87-F357 HydrophobicContact CD1-CD2 4.24Å; I87-F357 HydrophobicContact CD1-CE2 3.23Å; I87-F357 HydrophobicContact CD1-CZ 3.49Å; I87-F357 VanDerWaalsContact CD1-CZ 3.49Å
88	I	95.2	Very high	94.8	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-64.2	-45.7	179.8	-61.9	160.4	0	0	0	110.7	K64 F68 L84 Y85 H90 E91 L158 Y162 I165	K64-I88 HydrophobicContact CD-CB 4.14Å; K64-I88 HydrophobicContact CD-CG1 4Å; K64-I88 HydrophobicContact CD-CG2 3.88Å; K64-I88 HydrophobicContact CG-CG1 4.43Å; F68-I88 HydrophobicContact CD1-CD1 4.46Å; F68-I88 HydrophobicContact CD2-CD1 4.09Å; F68-I88 HydrophobicContact CE1-CD1 3.91Å; F68-I88 HydrophobicContact CE2-CD1 3.51Å; F68-I88 HydrophobicContact CE2-CG1 4.4Å; F68-I88 HydrophobicContact CZ-CD1 3.39Å; F68-I88 HydrophobicContact CZ-CG1 4.41Å; L84-I88 WeakPolarHBondContact O-CD1 3.41Å; L84-I88 VanDerWaalsContact O-CG1 3.26Å; L84-I88 WeakPolarHBondContact O-CG1 3.32Å; L84-I88 PolarHBondContact O-N 2.99Å; Y85-I88 PolarHBondContact O-N 3.37Å; I88-H90 PolarHBondContact O-N 3.35Å; I88-E91 PolarHBondContact O-N 3.05Å; I88-L158 HydrophobicContact CD1-CD2 4.27Å; I88-Y162 HydrophobicContact CG2-CD2 4.14Å; I88-I165 HydrophobicContact CB-CD1 4.31Å; I88-I165 HydrophobicContact CG2-CB 4.19Å; I88-I165 HydrophobicContact CG2-CD1 3.62Å; I88-I165 HydrophobicContact CG2-CG2 4.1Å
89	Y	95.5	Very high	95	Very high	49 Å²	49	19.3 Å²	19.3	19%	0.192	10%	0.103	C	C	.	.	H	α-helix	trans	-64	-30.1	177.5	-177.4	-103.4	0	0	0	112.4	Y85 E91 L92 L93 I165 W377	Y85-Y89 WeakPolarHBondContact O-CB 3.35Å; Y85-Y89 PolarHBondContact O-N 3.02Å; Y89-E91 PolarHBondContact O-N 2.66Å; Y89-L92 HydrophobicContact CD2-CD2 4.36Å; Y89-L92 HydrophobicContact CE2-CD2 4.09Å; Y89-L92 WeakPolarHBondContact O-CB 3.29Å; Y89-L92 PolarHBondContact O-N 3.41Å; Y89-L93 HydrophobicContact CE1-CB 4.47Å; Y89-L93 PolarHBondContact O-N 3.14Å; Y89-I165 HydrophobicContact CD2-CD1 4.31Å; Y89-W377 AromaticContact CD1-CH2 3.84Å; Y89-W377 HydrophobicContact CD1-CH2 3.84Å; Y89-W377 AromaticContact CD1-CZ2 3.63Å; Y89-W377 HydrophobicContact CD1-CZ2 3.63Å; Y89-W377 HydrophobicContact CE1-CH2 4.45Å; Y89-W377 AromaticContact CE1-CZ2 3.79Å; Y89-W377 HydrophobicContact CE1-CZ2 3.79Å; Y89-W377 HydrophobicContact CG-CH2 4.37Å; Y89-W377 HydrophobicContact CG-CZ2 4.47Å
90	H	97.1	Very high	95.2	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-57.1	-33.7	179.4	-163	44.9	0	0	0	113.7	W14 Y17 H18 L21 D56 V60 T86 I87 I88 L93 L94	W14-H90 HydrophobicContact CZ2-CB 4.11Å; Y17-H90 AromaticContact CE1-NE2 3.71Å; H18-H90 AromaticContact CE1-ND1 3.67Å; H18-H90 AromaticContact CG-ND1 3.94Å; H18-H90 AromaticContact ND1-CE1 3.67Å; H18-H90 AromaticContact ND1-CG 3.49Å; H18-H90 AromaticContact ND1-ND1 2.93Å; H18-H90 PolarHBondContact ND1-ND1 3.37Å; L21-H90 VanDerWaalsContact CD1-CE1 3.41Å; L21-H90 WeakPolarHBondContact CD1-CE1 3.19Å; D56-H90 IonicContact OD2-NE2 2.73Å; D56-H90 PolarHBondContact OD2-NE2 3.5Å; V60-H90 HydrophobicContact CG2-CB 4.43Å; T86-H90 WeakPolarHBondContact O-CB 3.34Å; T86-H90 PolarHBondContact O-N 2.96Å; I87-H90 VanDerWaalsContact O-CB 3.3Å; I87-H90 WeakPolarHBondContact O-CB 3.47Å; I87-H90 PolarHBondContact O-N 3.26Å; I88-H90 PolarHBondContact O-N 3.35Å; H90-L93 WeakPolarHBondContact O-CB 3.24Å; H90-L93 PolarHBondContact O-N 2.93Å; H90-L94 WeakPolarHBondContact O-CG 3.18Å; H90-L94 PolarHBondContact O-N 3.1Å
91	E	97.7	Very high	95.4	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-64.7	-41.2	175.7	-168.6	177.2	154.2	0	0	112	L57 V60 K64 I88 Y89 L93 L94 A95 W121 K169	L57-E91 HydrophobicContact CD1-CG 3.65Å; L57-E91 WeakPolarHBondContact CD1-O 3.38Å; V60-E91 HydrophobicContact CB-CB 4.28Å; V60-E91 HydrophobicContact CG1-CB 3.75Å; K64-E91 WeakPolarHBondContact CE-OE2 3.46Å; K64-E91 IonicContact NZ-OE2 2.67Å; K64-E91 PolarHBondContact NZ-OE2 3.48Å; I88-E91 PolarHBondContact O-N 3.05Å; Y89-E91 PolarHBondContact O-N 2.66Å; E91-L93 VanDerWaalsContact C-N 3.33Å; E91-L94 PolarHBondContact O-N 3.4Å; E91-A95 WeakPolarHBondContact O-CB 3.34Å; E91-A95 PolarHBondContact O-N 2.87Å; E91-W121 PolarHBondContact OE1-NE1 2.92Å; E91-K169 WeakPolarHBondContact OE1-CD 3.37Å; E91-K169 IonicContact OE1-NZ 2.67Å; E91-K169 PolarHBondContact OE1-NZ 2.8Å; E91-K169 IonicContact OE2-NZ 3.4Å
92	L	96.6	Very high	95.6	Very high	11 Å²	11	12.2 Å²	12.2	6%	0.058	6%	0.057	C	C	.	.	H	α-helix	trans	-67	-38.6	177.2	-179.7	61.8	0	0	0	111.3	Y89 A95 N96 I165 E168 K169 K172	Y89-L92 HydrophobicContact CD2-CD2 4.36Å; Y89-L92 HydrophobicContact CE2-CD2 4.09Å; Y89-L92 WeakPolarHBondContact O-CB 3.29Å; Y89-L92 PolarHBondContact O-N 3.41Å; L92-A95 PolarHBondContact O-N 3.41Å; L92-N96 WeakPolarHBondContact O-CB 3.42Å; L92-N96 PolarHBondContact O-N 3.02Å; L92-I165 HydrophobicContact CB-CG2 4.07Å; L92-E168 HydrophobicContact CD1-CB 3.94Å; L92-E168 HydrophobicContact CD2-CB 4.08Å; L92-E168 WeakPolarHBondContact CD2-OE2 3.37Å; L92-K169 HydrophobicContact CD1-CB 4.18Å; L92-K172 HydrophobicContact CD1-CG 4.03Å
93	L	96.2	Very high	95.6	Very high	3 Å²	3	17.1 Å²	17.1	2%	0.016	8%	0.075	C	C	.	.	H	α-helix	trans	-58.1	-48.7	174.1	-179.2	74.2	0	0	0	111.6	L21 N22 N25 Y89 H90 E91 N96 L97	L21-L93 HydrophobicContact CB-CD2 4.01Å; N22-L93 HydrophobicContact CB-CD1 4.3Å; N22-L93 HydrophobicContact CB-CD2 4.07Å; N22-L93 VanDerWaalsContact OD1-CD1 3.31Å; N22-L93 WeakPolarHBondContact OD1-CD1 3.48Å; N25-L93 HydrophobicContact CB-CD1 3.61Å; N25-L93 HydrophobicContact CB-CG 4.36Å; N25-L93 WeakPolarHBondContact ND2-CD1 3.25Å; Y89-L93 HydrophobicContact CE1-CB 4.47Å; Y89-L93 PolarHBondContact O-N 3.14Å; H90-L93 WeakPolarHBondContact O-CB 3.24Å; H90-L93 PolarHBondContact O-N 2.93Å; E91-L93 VanDerWaalsContact C-N 3.33Å; L93-N96 PolarHBondContact O-N 2.58Å; L93-L97 PolarHBondContact O-N 3.09Å
94	L	98.1	Very high	95.5	Very high	2 Å²	2	18.1 Å²	18.1	1%	0.01	8%	0.079	C	C	.	.	H	α-helix	trans	-63.5	-42.7	177.6	-71.6	165.9	0	0	0	111.2	L21 L53 D56 L57 V60 H90 E91 N96 L97 L98	L21-L94 HydrophobicContact CD1-CD2 3.96Å; L53-L94 HydrophobicContact CD2-CD2 3.91Å; D56-L94 HydrophobicContact CB-CD1 3.98Å; D56-L94 HydrophobicContact CB-CD2 4.35Å; L57-L94 HydrophobicContact CB-CB 4.39Å; L57-L94 HydrophobicContact CB-CD1 4.36Å; L57-L94 HydrophobicContact CD1-CB 3.73Å; V60-L94 HydrophobicContact CG2-CD1 4.32Å; H90-L94 WeakPolarHBondContact O-CG 3.18Å; H90-L94 PolarHBondContact O-N 3.1Å; E91-L94 PolarHBondContact O-N 3.4Å; L94-N96 VanDerWaalsContact C-N 3.34Å; L94-N96 PolarHBondContact O-N 3.33Å; L94-L97 PolarHBondContact O-N 3.28Å; L94-L98 WeakPolarHBondContact O-CB 3.39Å; L94-L98 VanDerWaalsContact O-CG 3.27Å; L94-L98 WeakPolarHBondContact O-CG 3.42Å; L94-L98 PolarHBondContact O-N 3.34Å
95	A	98.1	Very high	95.2	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-60.8	-40.9	175.6	0	0	0	0	0	112.2	L57 E91 L92 L98 E99 W121 K172	L57-A95 HydrophobicContact CD1-CB 4.47Å; E91-A95 WeakPolarHBondContact O-CB 3.34Å; E91-A95 PolarHBondContact O-N 2.87Å; L92-A95 PolarHBondContact O-N 3.41Å; A95-L98 PolarHBondContact O-N 3.09Å; A95-E99 WeakPolarHBondContact O-CB 3.45Å; A95-E99 PolarHBondContact O-N 3.03Å; A95-W121 HydrophobicContact CB-CH2 3.58Å; A95-W121 HydrophobicContact CB-CZ2 3.89Å; A95-K172 HydrophobicContact CB-CB 4.34Å
96	N	95.8	Very high	94.9	Very high	26 Å²	26	21.2 Å²	21.2	14%	0.139	11%	0.105	C	C	.	.	H	α-helix	trans	-68.8	-39.3	178.2	-170	76.2	0	0	0	112.5	N25 V29 L92 L93 L94 E99 T100 K172	N25-N96 PolarHBondContact ND2-ND2 2.72Å; N25-N96 PolarHBondContact OD1-ND2 3.34Å; V29-N96 VanDerWaalsContact CG2-ND2 3.26Å; V29-N96 WeakPolarHBondContact CG2-ND2 3.29Å; L92-N96 WeakPolarHBondContact O-CB 3.42Å; L92-N96 PolarHBondContact O-N 3.02Å; L93-N96 PolarHBondContact O-N 2.58Å; L94-N96 VanDerWaalsContact C-N 3.34Å; L94-N96 PolarHBondContact O-N 3.33Å; N96-E99 PolarHBondContact O-N 3.16Å; N96-T100 PolarHBondContact O-N 3.46Å; N96-T100 VanDerWaalsContact O-N 3.13Å; N96-T100 PolarHBondContact O-OG1 3.15Å; N96-K172 WeakPolarHBondContact OD1-CE 3.46Å; N96-K172 PolarHBondContact OD1-NZ 2.92Å
97	L	96.2	Very high	94.8	Very high	3 Å²	3	21.2 Å²	21.2	2%	0.016	11%	0.105	C	C	.	.	H	α-helix	trans	-65.4	-43.5	174.7	-179	57.5	0	0	0	110.8	L21 N25 A28 I40 L44 L53 L93 L94 T100 V101	L21-L97 HydrophobicContact CD2-CD2 4.28Å; N25-L97 HydrophobicContact CB-CB 4.42Å; N25-L97 WeakPolarHBondContact OD1-CA 3.15Å; N25-L97 PolarHBondContact OD1-N 3.25Å; A28-L97 HydrophobicContact CB-CD1 3.99Å; I40-L97 HydrophobicContact CG2-CD1 4.38Å; L44-L97 HydrophobicContact CD1-CD1 4.28Å; L44-L97 HydrophobicContact CD1-CD2 4.47Å; L44-L97 HydrophobicContact CD1-CG 4.47Å; L53-L97 HydrophobicContact CD1-CD2 3.73Å; L53-L97 HydrophobicContact CD1-CG 4.13Å; L53-L97 HydrophobicContact CD2-CD2 4.09Å; L93-L97 PolarHBondContact O-N 3.09Å; L94-L97 PolarHBondContact O-N 3.28Å; L97-T100 PolarHBondContact O-N 3.2Å; L97-V101 HydrophobicContact CD1-CG2 4.35Å; L97-V101 VanDerWaalsContact O-CG2 3.29Å; L97-V101 WeakPolarHBondContact O-CG2 3.29Å; L97-V101 PolarHBondContact O-N 2.62Å
98	L	97.7	Very high	94.6	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-66.5	-36.4	175.9	-71.9	168	0	0	0	112.4	L53 V54 L57 L94 A95 T100 V101 T102 F111 L118	L53-L98 HydrophobicContact CB-CD2 4.08Å; L53-L98 HydrophobicContact CB-CG 4.5Å; L53-L98 HydrophobicContact CD1-CD2 4.45Å; V54-L98 HydrophobicContact CG2-CD2 4.23Å; L57-L98 HydrophobicContact CB-CD1 4.44Å; L57-L98 HydrophobicContact CD2-CD1 3.78Å; L94-L98 WeakPolarHBondContact O-CB 3.39Å; L94-L98 VanDerWaalsContact O-CG 3.27Å; L94-L98 WeakPolarHBondContact O-CG 3.42Å; L94-L98 PolarHBondContact O-N 3.34Å; A95-L98 PolarHBondContact O-N 3.09Å; L98-T100 VanDerWaalsContact C-N 3.3Å; L98-T100 PolarHBondContact O-N 2.9Å; L98-V101 PolarHBondContact O-N 3.45Å; L98-T102 VanDerWaalsContact O-CB 3.29Å; L98-T102 WeakPolarHBondContact O-CB 3.44Å; L98-T102 WeakPolarHBondContact O-CG2 3.09Å; L98-T102 PolarHBondContact O-N 2.86Å; L98-T102 PolarHBondContact O-OG1 3.15Å; L98-F111 HydrophobicContact CD2-CE1 3.91Å; L98-F111 HydrophobicContact CD2-CZ 3.88Å; L98-L118 HydrophobicContact CD1-CD1 4.21Å
99	E	95.8	Very high	94.3	Very high	32 Å²	32	26.2 Å²	26.2	15%	0.15	13%	0.129	C	C	.	.	H	α-helix	trans	-57.2	-45	172.1	179.7	-175.7	-141.7	0	0	111.1	A95 N96 T102 K172 T175 I176 H179	A95-E99 WeakPolarHBondContact O-CB 3.45Å; A95-E99 PolarHBondContact O-N 3.03Å; N96-E99 PolarHBondContact O-N 3.16Å; E99-T102 PolarHBondContact O-OG1 3.01Å; E99-T102 VanDerWaalsContact O-OG1 3.13Å; E99-K172 IonicContact OE1-NZ 2.86Å; E99-K172 WeakPolarHBondContact OE2-CD 3.3Å; E99-K172 WeakPolarHBondContact OE2-CE 3.43Å; E99-K172 IonicContact OE2-NZ 3.37Å; E99-K172 PolarHBondContact OE2-NZ 2.9Å; E99-T175 HydrophobicContact CG-CG2 3.68Å; E99-T175 WeakPolarHBondContact OE1-CB 3.28Å; E99-T175 WeakPolarHBondContact OE1-CG2 3.35Å; E99-T175 PolarHBondContact OE1-OG1 3.44Å; E99-I176 HydrophobicContact CB-CD1 4.41Å; E99-I176 HydrophobicContact CB-CG1 4.04Å; E99-H179 PolarHBondContact O-CE1 3.3Å; E99-H179 PolarHBondContact O-ND1 2.9Å
100	T	93.2	Very high	94.1	Very high	21 Å²	21	24.9 Å²	24.9	13%	0.129	13%	0.125	C	C	.	.	H	α-helix	trans	-65.2	-48.5	177.5	-49.4	0	0	0	0	110.9	A28 A32 N96 L97 L98 T102 Y103	A28-T100 HydrophobicContact CB-CG2 4.16Å; A32-T100 HydrophobicContact CB-CG2 4.28Å; N96-T100 PolarHBondContact O-N 3.46Å; N96-T100 VanDerWaalsContact O-N 3.13Å; N96-T100 PolarHBondContact O-OG1 3.15Å; L97-T100 PolarHBondContact O-N 3.2Å; L98-T100 VanDerWaalsContact C-N 3.3Å; L98-T100 PolarHBondContact O-N 2.9Å; T100-T102 PolarHBondContact O-N 3.47Å; T100-Y103 WeakPolarHBondContact O-CB 3.37Å; T100-Y103 PolarHBondContact O-N 3.29Å
101	V	93.7	Very high	93.9	Very high	2 Å²	2	25 Å²	25	1%	0.012	13%	0.126	C	C	.	.	H	α-helix	trans	-66.4	-39.7	-177	172.8	0	0	0	0	112.2	L44 I50 L97 L98 Y103 H104 A107 F111	L44-V101 HydrophobicContact CD1-CG2 3.67Å; I50-V101 HydrophobicContact CD1-CG1 3.56Å; I50-V101 HydrophobicContact CG1-CG1 4.06Å; L97-V101 HydrophobicContact CD1-CG2 4.35Å; L97-V101 VanDerWaalsContact O-CG2 3.29Å; L97-V101 WeakPolarHBondContact O-CG2 3.29Å; L97-V101 PolarHBondContact O-N 2.62Å; L98-V101 PolarHBondContact O-N 3.45Å; V101-Y103 PolarHBondContact O-N 3.26Å; V101-H104 PolarHBondContact O-N 3.01Å; V101-A107 HydrophobicContact CG1-CB 3.7Å; V101-A107 WeakPolarHBondContact O-CB 3.34Å; V101-F111 HydrophobicContact CG1-CE2 4.45Å
102	T	94.7	Very high	93.5	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-67.7	-15.4	-177.7	50.3	0	0	0	0	113.6	L98 E99 T100 H104 V108 F111 L118 I176 H179	L98-T102 VanDerWaalsContact O-CB 3.29Å; L98-T102 WeakPolarHBondContact O-CB 3.44Å; L98-T102 WeakPolarHBondContact O-CG2 3.09Å; L98-T102 PolarHBondContact O-N 2.86Å; L98-T102 PolarHBondContact O-OG1 3.15Å; E99-T102 PolarHBondContact O-OG1 3.01Å; E99-T102 VanDerWaalsContact O-OG1 3.13Å; T100-T102 PolarHBondContact O-N 3.47Å; T102-H104 PolarHBondContact O-N 3.3Å; T102-V108 VanDerWaalsContact O-CG2 3.23Å; T102-V108 WeakPolarHBondContact O-CG2 3.42Å; T102-F111 HydrophobicContact CG2-CE2 4.01Å; T102-F111 HydrophobicContact CG2-CZ 3.6Å; T102-L118 HydrophobicContact CG2-CD2 4.27Å; T102-I176 HydrophobicContact CG2-CG2 4.42Å; T102-H179 VanDerWaalsContact O-CB 3.31Å; T102-H179 WeakPolarHBondContact O-CB 3.42Å; T102-H179 PolarHBondContact OG1-ND1 3.13Å
103	Y	92.7	Very high	93.2	Very high	140 Å²	140	30.9 Å²	30.9	55%	0.549	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-28.9	174.6	178.1	-110.4	0	0	0	112.6	T100 V101 H179	T100-Y103 WeakPolarHBondContact O-CB 3.37Å; T100-Y103 PolarHBondContact O-N 3.29Å; V101-Y103 PolarHBondContact O-N 3.26Å; Y103-H179 AromaticContact CD2-NE2 3.69Å; Y103-H179 PolarHBondContact N-ND1 2.88Å
104	H	90.9	Very high	93.2	Very high	28 Å²	28	31.2 Å²	31.2	13%	0.13	17%	0.168	C	C	.	.	S	Bend	trans	-98.2	127.9	-175.9	-49.8	-86.6	0	0	0	112.3	E38 K41 V101 T102 D106 A107 V108	E38-H104 VanDerWaalsContact CD-NE2 3.29Å; E38-H104 IonicContact OE1-CE1 3.67Å; E38-H104 PolarHBondContact OE1-CE1 3.47Å; E38-H104 IonicContact OE1-NE2 3.79Å; E38-H104 PolarHBondContact OE1-NE2 3.21Å; E38-H104 IonicContact OE2-CE1 3.68Å; E38-H104 PolarHBondContact OE2-CE1 3.5Å; E38-H104 IonicContact OE2-NE2 2.64Å; E38-H104 PolarHBondContact OE2-NE2 3.37Å; K41-H104 HydrophobicContact CD-CB 4.46Å; V101-H104 PolarHBondContact O-N 3.01Å; T102-H104 PolarHBondContact O-N 3.3Å; H104-D106 WeakPolarHBondContact CB-OD1 3.36Å; H104-D106 PolarHBondContact O-N 2.97Å; H104-A107 HydrophobicContact CB-CB 4.14Å; H104-A107 PolarHBondContact O-N 3.43Å; H104-V108 VanDerWaalsContact O-CG2 3.3Å; H104-V108 WeakPolarHBondContact O-CG2 3.47Å; H104-V108 PolarHBondContact O-N 3.14Å; H104-V108 VanDerWaalsContact O-N 3.09Å
105	S	89.1	Confident	93	Very high	71 Å²	71	31.1 Å²	31.1	50%	0.497	17%	0.168	S	C	.	.	H	α-helix	trans	-60.1	-43.6	-178.2	53.6	0	0	0	0	112.9	A107 V108 E109 N183	S105-A107 VanDerWaalsContact C-N 3.32Å; S105-A107 PolarHBondContact O-N 3.07Å; S105-V108 WeakPolarHBondContact O-CB 3.45Å; S105-V108 PolarHBondContact O-N 3Å; S105-V108 VanDerWaalsContact O-N 3.12Å; S105-E109 WeakPolarHBondContact O-CG 3.43Å; S105-E109 PolarHBondContact O-N 2.88Å; S105-N183 WeakPolarHBondContact CA-OD1 3.49Å; S105-N183 WeakPolarHBondContact CB-OD1 3.47Å
106	D	88.7	Confident	92.9	Very high	58 Å²	58	31.2 Å²	31.2	31%	0.31	17%	0.168	S	C	.	.	H	α-helix	trans	-61.1	-37.5	178	64.9	-32.5	0	0	0	113	K41 H104	K41-D106 IonicContact NZ-OD1 2.74Å; K41-D106 PolarHBondContact NZ-OD1 3.37Å; K41-D106 IonicContact NZ-OD2 3.44Å; K41-D106 PolarHBondContact NZ-OD2 3.39Å; H104-D106 WeakPolarHBondContact CB-OD1 3.36Å; H104-D106 PolarHBondContact O-N 2.97Å
107	A	91.5	Very high	93	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-69.8	-36.9	175.2	0	0	0	0	0	112.2	K41 V45 I50 V101 H104 S105 E109 T110 F111	K41-A107 HydrophobicContact CD-CB 4.1Å; K41-A107 HydrophobicContact CG-CB 3.78Å; V45-A107 HydrophobicContact CG2-CB 3.84Å; I50-A107 HydrophobicContact CD1-CB 4.09Å; I50-A107 WeakPolarHBondContact CD1-O 3.44Å; V101-A107 HydrophobicContact CG1-CB 3.7Å; V101-A107 WeakPolarHBondContact O-CB 3.34Å; H104-A107 HydrophobicContact CB-CB 4.14Å; H104-A107 PolarHBondContact O-N 3.43Å; S105-A107 VanDerWaalsContact C-N 3.32Å; S105-A107 PolarHBondContact O-N 3.07Å; A107-E109 VanDerWaalsContact C-N 3.3Å; A107-E109 PolarHBondContact O-N 3.49Å; A107-T110 WeakPolarHBondContact O-CB 3.39Å; A107-T110 PolarHBondContact O-N 2.9Å; A107-T110 VanDerWaalsContact O-N 3.13Å; A107-F111 WeakPolarHBondContact O-CD2 3.06Å
108	V	91.5	Very high	93	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.006	16%	0.161	C	C	.	.	H	α-helix	trans	-64.3	-34.2	-179.9	172.1	0	0	0	0	111.8	T102 H104 S105 T110 F111 N183 L191	T102-V108 VanDerWaalsContact O-CG2 3.23Å; T102-V108 WeakPolarHBondContact O-CG2 3.42Å; H104-V108 VanDerWaalsContact O-CG2 3.3Å; H104-V108 WeakPolarHBondContact O-CG2 3.47Å; H104-V108 PolarHBondContact O-N 3.14Å; H104-V108 VanDerWaalsContact O-N 3.09Å; S105-V108 WeakPolarHBondContact O-CB 3.45Å; S105-V108 PolarHBondContact O-N 3Å; S105-V108 VanDerWaalsContact O-N 3.12Å; V108-T110 PolarHBondContact O-N 3.42Å; V108-F111 HydrophobicContact CG2-CE2 4.48Å; V108-F111 VanDerWaalsContact O-CD2 3.31Å; V108-F111 WeakPolarHBondContact O-CD2 3.29Å; V108-F111 PolarHBondContact O-N 3.36Å; V108-N183 HydrophobicContact CB-CB 4.39Å; V108-N183 HydrophobicContact CG1-CB 3.66Å; V108-L191 HydrophobicContact CG1-CD1 3.39Å; V108-L191 HydrophobicContact CG1-CD2 3.51Å; V108-L191 HydrophobicContact CG1-CG 3.39Å; V108-L191 VanDerWaalsContact O-CD2 3.3Å; V108-L191 WeakPolarHBondContact O-CD2 3.46Å
109	E	88.9	Confident	93	Very high	104 Å²	104	29.9 Å²	29.9	49%	0.486	16%	0.161	S	C	.	.	H	α-helix	trans	-61.5	-27.6	174.6	-61.6	-178	171.9	0	0	113.1	S105 A107 F111	S105-E109 WeakPolarHBondContact O-CG 3.43Å; S105-E109 PolarHBondContact O-N 2.88Å; A107-E109 VanDerWaalsContact C-N 3.3Å; A107-E109 PolarHBondContact O-N 3.49Å; E109-F111 VanDerWaalsContact C-N 3.27Å; E109-F111 PolarHBondContact O-N 3.28Å
110	T	92	Very high	93.1	Very high	21 Å²	21	28.9 Å²	28.9	13%	0.129	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-4.3	-177.3	-57.7	0	0	0	0	113.3	I50 A107 V108 G112	I50-T110 HydrophobicContact CD1-CG2 4.29Å; A107-T110 WeakPolarHBondContact O-CB 3.39Å; A107-T110 PolarHBondContact O-N 2.9Å; A107-T110 VanDerWaalsContact O-N 3.13Å; V108-T110 PolarHBondContact O-N 3.42Å; T110-G112 VanDerWaalsContact C-N 3.32Å; T110-G112 PolarHBondContact O-N 2.97Å
111	F	93.4	Very high	93.3	Very high	1 Å²	1	27.9 Å²	27.9	0%	0.004	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-31.3	177.4	-82.5	-102.8	0	0	0	113.2	I50 V54 L98 V101 T102 A107 V108 E109 S114 V115 L118	I50-F111 HydrophobicContact CD1-CE2 4.45Å; I50-F111 HydrophobicContact CG2-CB 4.46Å; I50-F111 HydrophobicContact CG2-CD1 3.62Å; I50-F111 HydrophobicContact CG2-CD2 3.43Å; I50-F111 VanDerWaalsContact CG2-CD2 3.43Å; I50-F111 HydrophobicContact CG2-CE1 3.5Å; I50-F111 VanDerWaalsContact CG2-CE1 3.5Å; I50-F111 HydrophobicContact CG2-CE2 3.37Å; I50-F111 HydrophobicContact CG2-CG 3.58Å; I50-F111 HydrophobicContact CG2-CZ 3.4Å; V54-F111 HydrophobicContact CG2-CD1 3.75Å; V54-F111 HydrophobicContact CG2-CE1 3.56Å; L98-F111 HydrophobicContact CD2-CE1 3.91Å; L98-F111 HydrophobicContact CD2-CZ 3.88Å; V101-F111 HydrophobicContact CG1-CE2 4.45Å; T102-F111 HydrophobicContact CG2-CE2 4.01Å; T102-F111 HydrophobicContact CG2-CZ 3.6Å; A107-F111 WeakPolarHBondContact O-CD2 3.06Å; V108-F111 HydrophobicContact CG2-CE2 4.48Å; V108-F111 VanDerWaalsContact O-CD2 3.31Å; V108-F111 WeakPolarHBondContact O-CD2 3.29Å; V108-F111 PolarHBondContact O-N 3.36Å; E109-F111 VanDerWaalsContact C-N 3.27Å; E109-F111 PolarHBondContact O-N 3.28Å; F111-S114 WeakPolarHBondContact O-CB 3.47Å; F111-S114 PolarHBondContact O-N 2.97Å; F111-S114 PolarHBondContact O-OG 3.44Å; F111-V115 HydrophobicContact CB-CB 3.89Å; F111-V115 HydrophobicContact CB-CG2 4.39Å; F111-V115 HydrophobicContact CG-CB 4.49Å; F111-L118 HydrophobicContact CD1-CD2 4.15Å; F111-L118 HydrophobicContact CE1-CD2 3.47Å; F111-L118 VanDerWaalsContact CE1-CD2 3.47Å; F111-L118 HydrophobicContact CZ-CD2 4.08Å
112	G	89.5	Confident	93.6	Very high	34 Å²	34	27.8 Å²	27.8	35%	0.351	15%	0.15	S	C	.	.	G	3₁₀ helix	trans	51	-142.2	-170.2	0	0	0	0	0	112	T110 S114 V115	T110-G112 VanDerWaalsContact C-N 3.32Å; T110-G112 PolarHBondContact O-N 2.97Å; G112-S114 PolarHBondContact O-N 3.47Å; G112-V115 VanDerWaalsContact O-CG1 3.28Å; G112-V115 WeakPolarHBondContact O-CG1 3.18Å; G112-V115 PolarHBondContact O-N 3.13Å
113	D	90.6	Very high	93.8	Very high	102 Å²	102	29.9 Å²	29.9	55%	0.545	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	-66.6	-21.8	-176.2	-59.6	-38	0	0	0	113.9	V115 T116	D113-V115 PolarHBondContact O-N 3.44Å; D113-V115 VanDerWaalsContact O-N 3.09Å; D113-T116 WeakPolarHBondContact O-CB 3.46Å; D113-T116 PolarHBondContact O-N 3.13Å; D113-T116 PolarHBondContact O-OG1 2.73Å; D113-T116 VanDerWaalsContact O-OG1 3.09Å
114	S	95	Very high	94	Very high	10 Å²	10	25.9 Å²	25.9	7%	0.07	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-61.9	-19.5	178.6	75.9	0	0	0	0	113	V54 F111 G112 T116 D117 L118	V54-S114 WeakPolarHBondContact CG1-O 3.27Å; F111-S114 WeakPolarHBondContact O-CB 3.47Å; F111-S114 PolarHBondContact O-N 2.97Å; F111-S114 PolarHBondContact O-OG 3.44Å; G112-S114 PolarHBondContact O-N 3.47Å; S114-T116 PolarHBondContact O-N 3.01Å; S114-T116 VanDerWaalsContact O-N 3.16Å; S114-D117 PolarHBondContact O-N 3.23Å; S114-D117 VanDerWaalsContact O-N 3.13Å; S114-L118 PolarHBondContact O-N 2.83Å
115	V	94.8	Very high	94.4	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-57.4	-29.2	173.3	77.3	0	0	0	0	112.3	F111 G112 D113 L118 G119 L180 L191 I195	F111-V115 HydrophobicContact CB-CB 3.89Å; F111-V115 HydrophobicContact CB-CG2 4.39Å; F111-V115 HydrophobicContact CG-CB 4.49Å; G112-V115 VanDerWaalsContact O-CG1 3.28Å; G112-V115 WeakPolarHBondContact O-CG1 3.18Å; G112-V115 PolarHBondContact O-N 3.13Å; D113-V115 PolarHBondContact O-N 3.44Å; D113-V115 VanDerWaalsContact O-N 3.09Å; V115-L118 PolarHBondContact O-N 3.47Å; V115-G119 PolarHBondContact O-N 3.28Å; V115-L180 HydrophobicContact CG2-CD2 3.67Å; V115-L191 HydrophobicContact CB-CD2 4.4Å; V115-L191 HydrophobicContact CG1-CD2 4.44Å; V115-L191 HydrophobicContact CG2-CD1 4.46Å; V115-L191 HydrophobicContact CG2-CD2 4.03Å; V115-I195 HydrophobicContact CG1-CB 4.18Å; V115-I195 HydrophobicContact CG1-CD1 4.37Å; V115-I195 HydrophobicContact CG1-CG1 4.23Å; V115-I195 HydrophobicContact CG2-CD1 4.43Å; V115-I195 HydrophobicContact CG2-CG1 4.08Å; V115-I195 WeakPolarHBondContact O-CD1 3.32Å
116	T	95	Very high	94.9	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.006	11%	0.114	C	C	.	.	H	α-helix	trans	-62.3	-47.2	177.1	-52.9	0	0	0	0	111.2	D113 S114 L118 G119 D120 H194 A334 P336	D113-T116 WeakPolarHBondContact O-CB 3.46Å; D113-T116 PolarHBondContact O-N 3.13Å; D113-T116 PolarHBondContact O-OG1 2.73Å; D113-T116 VanDerWaalsContact O-OG1 3.09Å; S114-T116 PolarHBondContact O-N 3.01Å; S114-T116 VanDerWaalsContact O-N 3.16Å; T116-L118 VanDerWaalsContact C-N 3.33Å; T116-G119 PolarHBondContact O-N 3.4Å; T116-D120 WeakPolarHBondContact O-CB 3.31Å; T116-D120 PolarHBondContact O-N 3.26Å; T116-H194 PolarHBondContact OG1-CE1 3.44Å; T116-A334 HydrophobicContact CG2-CB 4.31Å; T116-P336 HydrophobicContact CG2-CB 4.33Å
117	D	97.5	Very high	95.3	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.011	11%	0.113	C	C	.	.	H	α-helix	trans	-65.1	-36.9	176.3	-79.3	-87.9	0	0	0	111.8	V54 I58 S114 D120 W121 P336 E337 I338 R339	V54-D117 HydrophobicContact CG1-CB 4.09Å; I58-D117 HydrophobicContact CD1-CB 4.2Å; I58-D117 HydrophobicContact CG1-CB 3.98Å; S114-D117 PolarHBondContact O-N 3.23Å; S114-D117 VanDerWaalsContact O-N 3.13Å; D117-D120 WeakPolarHBondContact O-CB 3.48Å; D117-D120 PolarHBondContact O-N 3.2Å; D117-W121 WeakPolarHBondContact O-CB 3.26Å; D117-W121 PolarHBondContact O-N 3.11Å; D117-P336 WeakPolarHBondContact OD1-CB 3.41Å; D117-P336 WeakPolarHBondContact OD2-CA 3.46Å; D117-E337 PolarHBondContact OD2-N 3.42Å; D117-I338 HydrophobicContact CB-CB 4.41Å; D117-I338 HydrophobicContact CB-CD1 4.21Å; D117-I338 PolarHBondContact OD2-N 3.42Å; D117-R339 WeakPolarHBondContact OD1-CB 3.32Å; D117-R339 PolarHBondContact OD1-N 3.35Å
118	L	97.8	Very high	95.6	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-64.9	-46.9	174.9	179.6	60.3	0	0	0	112	V54 L57 L98 T102 F111 S114 V115 T116 D120 W121 C122 I176 L180	V54-L118 HydrophobicContact CG1-CB 4.14Å; V54-L118 HydrophobicContact CG2-CB 4.4Å; L57-L118 HydrophobicContact CD2-CD1 3.9Å; L98-L118 HydrophobicContact CD1-CD1 4.21Å; T102-L118 HydrophobicContact CG2-CD2 4.27Å; F111-L118 HydrophobicContact CD1-CD2 4.15Å; F111-L118 HydrophobicContact CE1-CD2 3.47Å; F111-L118 VanDerWaalsContact CE1-CD2 3.47Å; F111-L118 HydrophobicContact CZ-CD2 4.08Å; S114-L118 PolarHBondContact O-N 2.83Å; V115-L118 PolarHBondContact O-N 3.47Å; T116-L118 VanDerWaalsContact C-N 3.33Å; L118-D120 VanDerWaalsContact C-N 3.25Å; L118-D120 PolarHBondContact O-N 3Å; L118-W121 HydrophobicContact CD1-CE3 4.09Å; L118-W121 WeakPolarHBondContact O-CB 3.21Å; L118-W121 PolarHBondContact O-N 3.38Å; L118-W121 VanDerWaalsContact O-N 3.14Å; L118-C122 PolarHBondContact O-N 2.97Å; L118-C122 PolarHBondContact O-SG 3.37Å; L118-I176 HydrophobicContact CD1-CG2 4.27Å; L118-I176 HydrophobicContact CD2-CG2 3.98Å; L118-I176 HydrophobicContact CG-CG2 4.17Å; L118-L180 HydrophobicContact CD2-CD2 4.49Å; L118-L180 HydrophobicContact CG-CD1 4.45Å
119	G	97	Very high	96	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-60.2	-38.3	176.7	0	0	0	0	0	112.4	V115 T116 C122 H123	V115-G119 PolarHBondContact O-N 3.28Å; T116-G119 PolarHBondContact O-N 3.4Å; G119-C122 WeakPolarHBondContact O-CB 3.44Å; G119-C122 PolarHBondContact O-N 3.15Å; G119-H123 PolarHBondContact O-N 2.86Å
120	D	97.7	Very high	96.4	Very high	10 Å²	10	19.1 Å²	19.1	5%	0.053	11%	0.107	C	C	.	.	H	α-helix	trans	-63.6	-42.3	173.1	-94.8	26.1	0	0	0	113.2	T116 D117 L118 H123 R124 R198 H203	T116-D120 WeakPolarHBondContact O-CB 3.31Å; T116-D120 PolarHBondContact O-N 3.26Å; D117-D120 WeakPolarHBondContact O-CB 3.48Å; D117-D120 PolarHBondContact O-N 3.2Å; L118-D120 VanDerWaalsContact C-N 3.25Å; L118-D120 PolarHBondContact O-N 3Å; D120-H123 PolarHBondContact O-N 3.22Å; D120-R124 PolarHBondContact O-N 3.03Å; D120-R124 PolarHBondContact O-NH1 3.41Å; D120-R124 IonicContact OD2-NH1 2.67Å; D120-R198 VanDerWaalsContact CG-NH2 3.27Å; D120-R198 IonicContact OD1-CZ 3.64Å; D120-R198 VanDerWaalsContact OD1-CZ 3.25Å; D120-R198 IonicContact OD1-NE 3.44Å; D120-R198 PolarHBondContact OD1-NE 2.91Å; D120-R198 IonicContact OD1-NH2 2.89Å; D120-R198 PolarHBondContact OD1-NH2 3.47Å; D120-R198 IonicContact OD2-CZ 3.45Å; D120-R198 IonicContact OD2-NE 3.39Å; D120-R198 IonicContact OD2-NH2 2.67Å; D120-R198 PolarHBondContact OD2-NH2 3.28Å; D120-H203 IonicContact OD1-CD2 3.87Å; D120-H203 IonicContact OD1-CE1 3.89Å; D120-H203 PolarHBondContact OD1-CE1 3.29Å; D120-H203 IonicContact OD1-NE2 3.48Å; D120-H203 PolarHBondContact OD1-NE2 2.92Å
121	W	98.5	Very high	96.7	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-63.1	-43.8	173.9	175.4	92.3	0	0	0	111	L57 I58 E91 A95 D117 L118 H123 R124 S125 K169 A173 I176	L57-W121 HydrophobicContact CD1-CZ2 4.13Å; L57-W121 HydrophobicContact CD2-CB 4.35Å; L57-W121 HydrophobicContact CD2-CD2 3.6Å; L57-W121 HydrophobicContact CD2-CE3 4.07Å; L57-W121 HydrophobicContact CD2-CG 3.7Å; L57-W121 HydrophobicContact CD2-CZ2 4.44Å; L57-W121 HydrophobicContact CG-CD2 4.3Å; L57-W121 HydrophobicContact CG-CG 4.25Å; I58-W121 HydrophobicContact CD1-CB 3.91Å; I58-W121 HydrophobicContact CD1-CG 4.48Å; E91-W121 PolarHBondContact OE1-NE1 2.92Å; A95-W121 HydrophobicContact CB-CH2 3.58Å; A95-W121 HydrophobicContact CB-CZ2 3.89Å; D117-W121 WeakPolarHBondContact O-CB 3.26Å; D117-W121 PolarHBondContact O-N 3.11Å; L118-W121 HydrophobicContact CD1-CE3 4.09Å; L118-W121 WeakPolarHBondContact O-CB 3.21Å; L118-W121 PolarHBondContact O-N 3.38Å; L118-W121 VanDerWaalsContact O-N 3.14Å; W121-H123 PolarHBondContact O-N 3.36Å; W121-R124 PolarHBondContact O-N 2.98Å; W121-S125 WeakPolarHBondContact O-CB 3.47Å; W121-S125 PolarHBondContact O-N 2.85Å; W121-S125 PolarHBondContact O-OG 3.18Å; W121-S125 VanDerWaalsContact O-OG 3.12Å; W121-K169 HydrophobicContact CH2-CB 4.27Å; W121-K169 HydrophobicContact CZ2-CB 4.04Å; W121-K169 HydrophobicContact CZ2-CD 4.12Å; W121-K169 HydrophobicContact CZ2-CG 4.3Å; W121-A173 HydrophobicContact CH2-CB 4.32Å; W121-A173 HydrophobicContact CZ3-CB 3.88Å; W121-I176 HydrophobicContact CH2-CD1 4.43Å; W121-I176 HydrophobicContact CZ3-CD1 3.85Å
122	C	98.7	Very high	96.8	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-58.5	-47.8	175.8	-74.5	0	0	0	0	111.7	L118 G119 R124 S125 L126 A173 I176 V177	L118-C122 PolarHBondContact O-N 2.97Å; L118-C122 PolarHBondContact O-SG 3.37Å; G119-C122 WeakPolarHBondContact O-CB 3.44Å; G119-C122 PolarHBondContact O-N 3.15Å; C122-R124 PolarHBondContact O-N 3.24Å; C122-S125 PolarHBondContact O-N 3.49Å; C122-L126 WeakPolarHBondContact O-CB 3.39Å; C122-L126 VanDerWaalsContact O-CG 3.25Å; C122-L126 WeakPolarHBondContact O-CG 3.29Å; C122-L126 PolarHBondContact O-N 2.95Å; C122-A173 HydrophobicContact CB-CB 4.43Å; C122-I176 WeakPolarHBondContact SG-CG2 3.37Å; C122-V177 HydrophobicContact CB-CG2 3.45Å; C122-V177 VanDerWaalsContact CB-CG2 3.45Å
123	H	98.5	Very high	97.1	Very high	44 Å²	44	22.5 Å²	22.5	20%	0.204	12%	0.118	C	C	.	.	H	α-helix	trans	-53.6	-51.2	176.4	168.4	-119.4	0	0	0	111.7	G119 D120 W121 S125 L126 C127 H203 I205	G119-H123 PolarHBondContact O-N 2.86Å; D120-H123 PolarHBondContact O-N 3.22Å; W121-H123 PolarHBondContact O-N 3.36Å; H123-S125 PolarHBondContact O-N 3.43Å; H123-L126 PolarHBondContact O-N 2.89Å; H123-C127 PolarHBondContact NE2-SG 3.27Å; H123-C127 VanDerWaalsContact NE2-SG 3.38Å; H123-C127 WeakPolarHBondContact O-CB 3.46Å; H123-C127 PolarHBondContact O-N 2.76Å; H123-C127 PolarHBondContact O-SG 3.45Å; H123-H203 HydrophobicContact CB-CB 4.13Å; H123-H203 AromaticContact CD2-CG 3.87Å; H123-H203 AromaticContact CD2-ND1 3.93Å; H123-H203 AromaticContact CE1-ND1 3.56Å; H123-H203 AromaticContact CG-CG 3.53Å; H123-H203 AromaticContact CG-ND1 3.5Å; H123-H203 AromaticContact ND1-CE1 3.64Å; H123-H203 AromaticContact ND1-CG 3.82Å; H123-H203 AromaticContact ND1-ND1 3.26Å; H123-H203 PolarHBondContact ND1-ND1 3.3Å; H123-H203 AromaticContact NE2-ND1 3.98Å; H123-I205 HydrophobicContact CB-CD1 3.96Å
124	R	98.4	Very high	97.3	Very high	56 Å²	56	22.2 Å²	22.2	21%	0.211	12%	0.119	C	C	.	.	H	α-helix	trans	-63.1	-41.6	179.9	-70.3	-175.8	-65.8	-81.7	1.4	112.6	E61 D120 W121 C122 C127 Y128	E61-R124 WeakPolarHBondContact OE1-CD 3.42Å; E61-R124 IonicContact OE1-CZ 3.25Å; E61-R124 IonicContact OE1-NE 3.63Å; E61-R124 PolarHBondContact OE1-NE 3.28Å; E61-R124 IonicContact OE1-NH2 3Å; E61-R124 IonicContact OE2-CZ 3.73Å; E61-R124 IonicContact OE2-NE 2.81Å; E61-R124 PolarHBondContact OE2-NE 2.6Å; E61-R124 IonicContact OE2-NH2 2.8Å; E61-R124 PolarHBondContact OE2-NH2 3.27Å; D120-R124 PolarHBondContact O-N 3.03Å; D120-R124 PolarHBondContact O-NH1 3.41Å; D120-R124 IonicContact OD2-NH1 2.67Å; W121-R124 PolarHBondContact O-N 2.98Å; C122-R124 PolarHBondContact O-N 3.24Å; R124-C127 PolarHBondContact O-N 3.02Å; R124-Y128 PolarHBondContact O-N 3.01Å
125	S	98.7	Very high	97.3	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.007	13%	0.128	C	C	.	.	H	α-helix	trans	-64.7	-41.3	177.5	-66.8	0	0	0	0	112.2	W121 C122 H123 Y128 L129 K169	W121-S125 WeakPolarHBondContact O-CB 3.47Å; W121-S125 PolarHBondContact O-N 2.85Å; W121-S125 PolarHBondContact O-OG 3.18Å; W121-S125 VanDerWaalsContact O-OG 3.12Å; C122-S125 PolarHBondContact O-N 3.49Å; H123-S125 PolarHBondContact O-N 3.43Å; S125-Y128 PolarHBondContact O-N 3.06Å; S125-L129 PolarHBondContact O-N 3Å; S125-K169 WeakPolarHBondContact OG-CE 3.2Å
126	L	98.8	Very high	97.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-69.6	-40.5	176.4	-66	174.6	0	0	0	112.2	C122 H123 Y128 L129 V130 A173 I174 V177 I205 I208 L212	C122-L126 WeakPolarHBondContact O-CB 3.39Å; C122-L126 VanDerWaalsContact O-CG 3.25Å; C122-L126 WeakPolarHBondContact O-CG 3.29Å; C122-L126 PolarHBondContact O-N 2.95Å; H123-L126 PolarHBondContact O-N 2.89Å; L126-Y128 VanDerWaalsContact C-N 3.29Å; L126-Y128 PolarHBondContact O-N 3.43Å; L126-L129 WeakPolarHBondContact O-CB 3.49Å; L126-L129 PolarHBondContact O-N 2.93Å; L126-V130 WeakPolarHBondContact O-CG2 3.29Å; L126-V130 PolarHBondContact O-N 3.27Å; L126-A173 HydrophobicContact CD2-CB 3.98Å; L126-A173 HydrophobicContact CG-CB 4.03Å; L126-I174 HydrophobicContact CD2-CB 4.48Å; L126-I174 HydrophobicContact CD2-CG1 3.58Å; L126-V177 HydrophobicContact CD1-CG2 3.88Å; L126-I205 HydrophobicContact CD1-CD1 4.29Å; L126-I205 HydrophobicContact CD1-CG2 4.35Å; L126-I208 HydrophobicContact CB-CG2 3.68Å; L126-I208 HydrophobicContact CD1-CG2 4.4Å; L126-L212 HydrophobicContact CD2-CD1 3.84Å
127	C	98.5	Very high	97	Very high	43 Å²	43	32.2 Å²	32.2	29%	0.291	17%	0.169	S	C	.	.	H	α-helix	trans	-60.3	-40.5	173.7	-72	0	0	0	0	112	H123 R124 V130 T131	H123-C127 PolarHBondContact NE2-SG 3.27Å; H123-C127 VanDerWaalsContact NE2-SG 3.38Å; H123-C127 WeakPolarHBondContact O-CB 3.46Å; H123-C127 PolarHBondContact O-N 2.76Å; H123-C127 PolarHBondContact O-SG 3.45Å; R124-C127 PolarHBondContact O-N 3.02Å; C127-V130 PolarHBondContact O-N 2.85Å; C127-T131 WeakPolarHBondContact O-CB 3.44Å; C127-T131 PolarHBondContact O-N 3.34Å; C127-T131 PolarHBondContact O-OG1 2.88Å
128	Y	97.8	Very high	96.8	Very high	49 Å²	49	35.6 Å²	35.6	19%	0.192	19%	0.185	C	C	.	.	H	α-helix	trans	-59.4	-50.5	173.4	-177.4	-92.3	0	0	0	110.5	R124 S125 L126 V130 T131 Q132 Y142 E166	R124-Y128 PolarHBondContact O-N 3.01Å; S125-Y128 PolarHBondContact O-N 3.06Å; L126-Y128 VanDerWaalsContact C-N 3.29Å; L126-Y128 PolarHBondContact O-N 3.43Å; Y128-V130 PolarHBondContact O-N 2.91Å; Y128-T131 WeakPolarHBondContact O-CB 3.43Å; Y128-T131 PolarHBondContact O-N 3.32Å; Y128-Q132 HydrophobicContact CD1-CG 3.96Å; Y128-Q132 HydrophobicContact CD2-CG 4.4Å; Y128-Q132 HydrophobicContact CE1-CB 4.5Å; Y128-Q132 HydrophobicContact CE1-CG 3.55Å; Y128-Q132 HydrophobicContact CE2-CG 4.04Å; Y128-Q132 HydrophobicContact CG-CG 4.38Å; Y128-Q132 WeakPolarHBondContact O-CG 3.4Å; Y128-Q132 PolarHBondContact O-N 2.99Å; Y128-Y142 PolarHBondContact OH-OH 2.8Å; Y128-E166 HydrophobicContact CD1-CB 3.88Å; Y128-E166 WeakPolarHBondContact CD1-O 3.47Å; Y128-E166 HydrophobicContact CE1-CB 3.31Å; Y128-E166 HydrophobicContact CE1-CG 4.46Å; Y128-E166 HydrophobicContact CE2-CB 4.28Å
129	L	98.3	Very high	96.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-56.9	-46.1	179.4	-172.7	63.7	0	0	0	112.6	S125 L126 T131 Q132 S133 Y167 I171 I174 L212 P217	S125-L129 PolarHBondContact O-N 3Å; L126-L129 WeakPolarHBondContact O-CB 3.49Å; L126-L129 PolarHBondContact O-N 2.93Å; L129-T131 VanDerWaalsContact C-N 3.3Å; L129-T131 PolarHBondContact O-N 2.95Å; L129-Q132 PolarHBondContact O-N 2.67Å; L129-S133 WeakPolarHBondContact O-CB 3.42Å; L129-S133 PolarHBondContact O-N 2.97Å; L129-S133 PolarHBondContact O-OG 3.19Å; L129-Y167 HydrophobicContact CD1-CD1 4.11Å; L129-Y167 HydrophobicContact CD1-CD2 3.91Å; L129-Y167 HydrophobicContact CD1-CE1 3.96Å; L129-Y167 HydrophobicContact CD1-CE2 3.76Å; L129-Y167 HydrophobicContact CD1-CG 4.09Å; L129-I171 HydrophobicContact CD1-CD1 4.18Å; L129-I171 HydrophobicContact CD2-CD1 3.81Å; L129-I171 HydrophobicContact CD2-CG1 4.47Å; L129-I174 HydrophobicContact CD2-CD1 4.04Å; L129-L212 HydrophobicContact CB-CD2 4.32Å; L129-L212 HydrophobicContact CD2-CD2 3.73Å; L129-L212 HydrophobicContact CG-CD2 3.87Å; L129-P217 HydrophobicContact CD1-CB 3.76Å; L129-P217 HydrophobicContact CD1-CG 4.26Å; L129-P217 HydrophobicContact CD2-CB 4.2Å; L129-P217 HydrophobicContact CD2-CG 3.77Å; L129-P217 HydrophobicContact CG-CB 3.96Å; L129-P217 HydrophobicContact CG-CG 3.95Å
130	V	98.3	Very high	96.3	Very high	27 Å²	27	37.4 Å²	37.4	16%	0.164	20%	0.196	C	C	.	.	H	α-helix	trans	-57.8	-42.9	175.4	167	0	0	0	0	111.8	L126 C127 Y128 Q132 S133 I208 K211 L212 Q215	L126-V130 WeakPolarHBondContact O-CG2 3.29Å; L126-V130 PolarHBondContact O-N 3.27Å; C127-V130 PolarHBondContact O-N 2.85Å; Y128-V130 PolarHBondContact O-N 2.91Å; V130-Q132 VanDerWaalsContact C-N 3.27Å; V130-Q132 PolarHBondContact O-N 2.83Å; V130-S133 PolarHBondContact O-N 2.81Å; V130-I208 HydrophobicContact CG2-CG2 3.89Å; V130-K211 HydrophobicContact CG1-CG 3.73Å; V130-K211 HydrophobicContact CG2-CG 4.3Å; V130-L212 HydrophobicContact CG2-CD1 4.48Å; V130-L212 HydrophobicContact CG2-CD2 3.58Å; V130-L212 HydrophobicContact CG2-CG 3.73Å; V130-Q215 PolarHBondContact O-NE2 3.18Å; V130-Q215 PolarHBondContact O-OE1 3.21Å
131	T	97.2	Very high	96.1	Very high	79 Å²	79	40.3 Å²	40.3	49%	0.485	21%	0.214	S	C	.	.	H	α-helix	trans	-68.7	-27.9	-178.8	-54.1	0	0	0	0	112.1	C127 Y128 L129	C127-T131 WeakPolarHBondContact O-CB 3.44Å; C127-T131 PolarHBondContact O-N 3.34Å; C127-T131 PolarHBondContact O-OG1 2.88Å; Y128-T131 WeakPolarHBondContact O-CB 3.43Å; Y128-T131 PolarHBondContact O-N 3.32Å; L129-T131 VanDerWaalsContact C-N 3.3Å; L129-T131 PolarHBondContact O-N 2.95Å
132	Q	95.8	Very high	95.8	Very high	47 Å²	47	41 Å²	41	22%	0.22	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	6.3	-179	-62.4	-47.3	-53.9	0	0	113.5	Y128 L129 V130 Y142 Y167	Y128-Q132 HydrophobicContact CD1-CG 3.96Å; Y128-Q132 HydrophobicContact CD2-CG 4.4Å; Y128-Q132 HydrophobicContact CE1-CB 4.5Å; Y128-Q132 HydrophobicContact CE1-CG 3.55Å; Y128-Q132 HydrophobicContact CE2-CG 4.04Å; Y128-Q132 HydrophobicContact CG-CG 4.38Å; Y128-Q132 WeakPolarHBondContact O-CG 3.4Å; Y128-Q132 PolarHBondContact O-N 2.99Å; L129-Q132 PolarHBondContact O-N 2.67Å; V130-Q132 VanDerWaalsContact C-N 3.27Å; V130-Q132 PolarHBondContact O-N 2.83Å; Q132-Y142 HydrophobicContact CB-CE2 3.61Å; Q132-Y142 HydrophobicContact CG-CE2 4.1Å; Q132-Y142 WeakPolarHBondContact CG-OH 3.43Å; Q132-Y142 PolarHBondContact OE1-OH 3.01Å; Q132-Y167 HydrophobicContact CB-CD2 4.21Å; Q132-Y167 HydrophobicContact CB-CE2 4.36Å
133	S	96.5	Very high	95.4	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.014	22%	0.22	C	C	.	.			trans	-129.3	28.2	-176.2	-58.4	0	0	0	0	111.6	L129 V130 Q215 P217	L129-S133 WeakPolarHBondContact O-CB 3.42Å; L129-S133 PolarHBondContact O-N 2.97Å; L129-S133 PolarHBondContact O-OG 3.19Å; V130-S133 PolarHBondContact O-N 2.81Å; S133-Q215 WeakPolarHBondContact O-CB 2.98Å; S133-Q215 WeakPolarHBondContact O-CG 3.47Å; S133-Q215 PolarHBondContact O-NE2 3.35Å; S133-P217 WeakPolarHBondContact OG-CB 2.98Å
134	V	95.1	Very high	95.1	Very high	95 Å²	95	45.4 Å²	45.4	58%	0.576	24%	0.237	S	C	*	.	S	Bend	trans	-70.3	-40.9	-177.5	-179.1	0	0	0	0	110.6	E138	V134-E138 VanDerWaalsContact CB-OE2 3.23Å; V134-E138 WeakPolarHBondContact CB-OE2 3.48Å; V134-E138 PolarHBondContact N-OE2 3.4Å
135	S	94.2	Very high	94.8	Very high	38 Å²	38	44.4 Å²	44.4	27%	0.266	24%	0.236	S	C	.	.	S	Bend	trans	-128.8	166.7	179.7	86.7	0	0	0	0	112.3	E137 E138 K139	S135-E137 VanDerWaalsContact C-N 3.28Å; S135-E137 WeakPolarHBondContact CB-OE2 3.45Å; S135-E137 PolarHBondContact OG-N 3.07Å; S135-E137 PolarHBondContact OG-OE2 3.35Å; S135-E138 PolarHBondContact O-N 3.18Å; S135-E138 PolarHBondContact OG-N 3.44Å; S135-K139 PolarHBondContact O-N 3.2Å
136	E	92.2	Very high	94.5	Very high	49 Å²	49	47.7 Å²	47.7	23%	0.229	25%	0.25	C	C	.	.	H	α-helix	trans	-66.6	-34.4	176.1	-167.6	59.6	-143.9	0	0	111.1	E138 K139 S140 I220 I221	E136-E138 PolarHBondContact O-N 3.42Å; E136-K139 PolarHBondContact O-N 3.04Å; E136-K139 IonicContact OE1-NZ 2.74Å; E136-K139 WeakPolarHBondContact OE2-CE 3.38Å; E136-K139 IonicContact OE2-NZ 3.51Å; E136-K139 PolarHBondContact OE2-NZ 3.1Å; E136-S140 PolarHBondContact O-N 3.46Å; E136-S140 PolarHBondContact O-OG 3.44Å; E136-S140 VanDerWaalsContact O-OG 3.11Å; E136-I220 WeakPolarHBondContact OE1-CA 3.31Å; E136-I221 HydrophobicContact CG-CB 4.39Å; E136-I221 HydrophobicContact CG-CD1 4.31Å; E136-I221 HydrophobicContact CG-CG1 4.49Å; E136-I221 PolarHBondContact OE1-N 3.13Å
137	E	91.7	Very high	93.9	Very high	134 Å²	134	51.7 Å²	51.7	63%	0.626	27%	0.271	S	S	*	.	H	α-helix	trans	-62.2	-43.4	177.6	-58.5	75	-161.2	0	0	111.6	S135 K139 S140 V141	S135-E137 VanDerWaalsContact C-N 3.28Å; S135-E137 WeakPolarHBondContact CB-OE2 3.45Å; S135-E137 PolarHBondContact OG-N 3.07Å; S135-E137 PolarHBondContact OG-OE2 3.35Å; E137-K139 VanDerWaalsContact C-N 3.33Å; E137-K139 PolarHBondContact O-N 3.48Å; E137-S140 PolarHBondContact O-N 2.92Å; E137-V141 WeakPolarHBondContact O-CG2 3.43Å; E137-V141 PolarHBondContact O-N 3.46Å; E137-V141 VanDerWaalsContact O-N 3.14Å
138	E	92.3	Very high	93.4	Very high	73 Å²	73	53.6 Å²	53.6	34%	0.341	28%	0.275	S	S	.	.	H	α-helix	trans	-61.2	-43.3	176	-70.4	-177.6	166.3	0	0	111.3	V134 S135 E136 V141 Y142	V134-E138 VanDerWaalsContact CB-OE2 3.23Å; V134-E138 WeakPolarHBondContact CB-OE2 3.48Å; V134-E138 PolarHBondContact N-OE2 3.4Å; S135-E138 PolarHBondContact O-N 3.18Å; S135-E138 PolarHBondContact OG-N 3.44Å; E136-E138 PolarHBondContact O-N 3.42Å; E138-V141 WeakPolarHBondContact O-CB 3.45Å; E138-V141 PolarHBondContact O-N 2.67Å; E138-Y142 WeakPolarHBondContact O-CD2 3.35Å
139	K	94.2	Very high	92.5	Very high	13 Å²	13	57.8 Å²	57.8	6%	0.057	31%	0.305	C	S	.	.	H	α-helix	trans	-63.9	-46.1	176.2	-68.3	-172.3	-62.8	167.2	0	111.7	S135 E136 E137 V141 Y142 F143 Q215 I219 I220	S135-K139 PolarHBondContact O-N 3.2Å; E136-K139 PolarHBondContact O-N 3.04Å; E136-K139 IonicContact OE1-NZ 2.74Å; E136-K139 WeakPolarHBondContact OE2-CE 3.38Å; E136-K139 IonicContact OE2-NZ 3.51Å; E136-K139 PolarHBondContact OE2-NZ 3.1Å; E137-K139 VanDerWaalsContact C-N 3.33Å; E137-K139 PolarHBondContact O-N 3.48Å; K139-V141 PolarHBondContact O-N 2.96Å; K139-Y142 WeakPolarHBondContact O-CB 3.38Å; K139-Y142 PolarHBondContact O-N 3.49Å; K139-F143 PolarHBondContact O-N 3.26Å; K139-Q215 PolarHBondContact NZ-O 2.81Å; K139-I219 PolarHBondContact NZ-O 2.86Å; K139-I220 HydrophobicContact CB-CD1 4.08Å; K139-I220 HydrophobicContact CB-CG1 4Å; K139-I220 HydrophobicContact CB-CG2 4.32Å; K139-I220 WeakPolarHBondContact O-CD1 3.33Å
140	S	91.9	Very high	91.7	Very high	25 Å²	25	61.5 Å²	61.5	18%	0.175	33%	0.331	C	S	.	.	H	α-helix	trans	-56.9	-34.6	178.2	-63.7	0	0	0	0	112.5	E136 E137 Y142 F143 E144 I221	E136-S140 PolarHBondContact O-N 3.46Å; E136-S140 PolarHBondContact O-OG 3.44Å; E136-S140 VanDerWaalsContact O-OG 3.11Å; E137-S140 PolarHBondContact O-N 2.92Å; S140-Y142 VanDerWaalsContact C-N 3.34Å; S140-Y142 PolarHBondContact O-N 3.03Å; S140-F143 WeakPolarHBondContact O-CB 3.47Å; S140-F143 PolarHBondContact O-N 3.16Å; S140-E144 WeakPolarHBondContact O-CG 3.37Å; S140-E144 PolarHBondContact O-N 3.33Å; S140-I221 PolarHBondContact OG-O 2.93Å
141	V	92.5	Very high	91	Very high	72 Å²	72	62 Å²	62	44%	0.436	33%	0.333	S	S	.	.	H	α-helix	trans	-58	-45	173.1	171.4	0	0	0	0	111.2	E137 E138 K139 F143 E144 L145	E137-V141 WeakPolarHBondContact O-CG2 3.43Å; E137-V141 PolarHBondContact O-N 3.46Å; E137-V141 VanDerWaalsContact O-N 3.14Å; E138-V141 WeakPolarHBondContact O-CB 3.45Å; E138-V141 PolarHBondContact O-N 2.67Å; K139-V141 PolarHBondContact O-N 2.96Å; V141-F143 VanDerWaalsContact C-N 3.34Å; V141-F143 PolarHBondContact O-N 3.15Å; V141-E144 PolarHBondContact O-N 2.96Å; V141-L145 HydrophobicContact CG1-CD1 3.88Å; V141-L145 HydrophobicContact CG1-CG 4.12Å; V141-L145 WeakPolarHBondContact O-CB 3.36Å; V141-L145 VanDerWaalsContact O-CG 3.23Å; V141-L145 WeakPolarHBondContact O-CG 3.45Å; V141-L145 PolarHBondContact O-N 3.25Å
142	Y	91.9	Very high	90.5	Very high	14 Å²	14	63.8 Å²	63.8	6%	0.055	34%	0.344	C	S	.	.	H	α-helix	trans	-65.5	-36.6	178.8	-74.3	-82.4	0	0	0	113	Y128 Q132 E138 K139 S140 L145 K146 K163 Y167	Y128-Y142 PolarHBondContact OH-OH 2.8Å; Q132-Y142 HydrophobicContact CB-CE2 3.61Å; Q132-Y142 HydrophobicContact CG-CE2 4.1Å; Q132-Y142 WeakPolarHBondContact CG-OH 3.43Å; Q132-Y142 PolarHBondContact OE1-OH 3.01Å; E138-Y142 WeakPolarHBondContact O-CD2 3.35Å; K139-Y142 WeakPolarHBondContact O-CB 3.38Å; K139-Y142 PolarHBondContact O-N 3.49Å; S140-Y142 VanDerWaalsContact C-N 3.34Å; S140-Y142 PolarHBondContact O-N 3.03Å; Y142-L145 PolarHBondContact O-N 2.96Å; Y142-K146 WeakPolarHBondContact O-CB 3.41Å; Y142-K146 PolarHBondContact O-N 2.92Å; Y142-K163 HydrophobicContact CE1-CB 3.99Å; Y142-K163 WeakPolarHBondContact CE1-O 3.4Å; Y142-Y167 AromaticContact CD1-CD2 3.66Å; Y142-Y167 HydrophobicContact CD1-CD2 3.66Å; Y142-Y167 HydrophobicContact CD1-CE2 4.5Å; Y142-Y167 AromaticContact CD1-CG 3.88Å; Y142-Y167 HydrophobicContact CD1-CG 3.88Å; Y142-Y167 AromaticContact CD2-CD2 3.74Å; Y142-Y167 HydrophobicContact CD2-CD2 3.74Å; Y142-Y167 AromaticContact CD2-CE2 3.87Å; Y142-Y167 HydrophobicContact CD2-CE2 3.87Å; Y142-Y167 AromaticContact CE1-CD2 3.92Å; Y142-Y167 HydrophobicContact CE1-CD2 3.92Å; Y142-Y167 HydrophobicContact CE1-CG 4.33Å; Y142-Y167 HydrophobicContact CE2-CD2 4.06Å; Y142-Y167 HydrophobicContact CE2-CE2 4.38Å; Y142-Y167 AromaticContact CG-CD2 3.58Å; Y142-Y167 HydrophobicContact CG-CD2 3.58Å; Y142-Y167 AromaticContact CG-CE2 3.98Å; Y142-Y167 HydrophobicContact CG-CE2 3.98Å; Y142-Y167 HydrophobicContact CG-CG 4.08Å
143	F	91.3	Very high	90.3	Very high	16 Å²	16	63 Å²	63	7%	0.07	34%	0.343	C	S	.	.	H	α-helix	trans	-60.5	-47.1	173.9	176.6	-96.8	0	0	0	111.5	K139 S140 V141 K146 N147 I220 H233 W241	K139-F143 PolarHBondContact O-N 3.26Å; S140-F143 WeakPolarHBondContact O-CB 3.47Å; S140-F143 PolarHBondContact O-N 3.16Å; V141-F143 VanDerWaalsContact C-N 3.34Å; V141-F143 PolarHBondContact O-N 3.15Å; F143-K146 PolarHBondContact O-N 3.18Å; F143-N147 WeakPolarHBondContact CE1-ND2 3.48Å; F143-N147 VanDerWaalsContact CE2-ND2 3.35Å; F143-N147 WeakPolarHBondContact CE2-ND2 3.27Å; F143-N147 WeakPolarHBondContact CZ-ND2 3.36Å; F143-N147 PolarHBondContact O-N 2.88Å; F143-N147 VanDerWaalsContact O-N 3.14Å; F143-N147 PolarHBondContact O-ND2 3.47Å; F143-I220 HydrophobicContact CB-CD1 4.15Å; F143-I220 HydrophobicContact CB-CG2 3.84Å; F143-I220 HydrophobicContact CG-CG2 4.37Å; F143-H233 HydrophobicContact CD2-CB 4.41Å; F143-H233 HydrophobicContact CE2-CB 3.94Å; F143-H233 AromaticContact CE2-CD2 3.58Å; F143-H233 AromaticContact CE2-CG 3.54Å; F143-H233 AromaticContact CE2-ND1 3.91Å; F143-H233 AromaticContact CE2-NE2 3.97Å; F143-H233 AromaticContact CZ-CD2 3.77Å; F143-H233 AromaticContact CZ-CE1 3.68Å; F143-H233 AromaticContact CZ-CG 3.9Å; F143-H233 AromaticContact CZ-ND1 3.85Å; F143-H233 AromaticContact CZ-NE2 3.63Å; F143-W241 HydrophobicContact CD2-CB 3.91Å; F143-W241 AromaticContact CD2-CD1 3.72Å; F143-W241 HydrophobicContact CD2-CD2 4.1Å; F143-W241 AromaticContact CD2-CG 3.63Å; F143-W241 HydrophobicContact CD2-CG 3.63Å; F143-W241 HydrophobicContact CE2-CB 3.72Å; F143-W241 AromaticContact CE2-CG 3.99Å; F143-W241 HydrophobicContact CE2-CG 3.99Å
144	E	91.4	Very high	90.1	Very high	121 Å²	121	65.2 Å²	65.2	57%	0.565	36%	0.355	S	S	*	.	H	α-helix	trans	-63.6	-44.5	176.4	-69.2	178.3	-173.6	0	0	112.1	S140 V141 K146 N147 K148	S140-E144 WeakPolarHBondContact O-CG 3.37Å; S140-E144 PolarHBondContact O-N 3.33Å; V141-E144 PolarHBondContact O-N 2.96Å; E144-K146 VanDerWaalsContact C-N 3.31Å; E144-K146 PolarHBondContact O-N 3.14Å; E144-N147 PolarHBondContact O-N 3.43Å; E144-K148 WeakPolarHBondContact O-CB 3.49Å; E144-K148 PolarHBondContact O-N 2.9Å
145	L	93.1	Very high	89.9	Confident	34 Å²	34	62 Å²	62	18%	0.178	33%	0.334	C	S	.	.	H	α-helix	trans	-61.9	-37.8	178.4	-70.4	-179.2	0	0	0	112.3	V141 Y142 R160 K163 V164	V141-L145 HydrophobicContact CG1-CD1 3.88Å; V141-L145 HydrophobicContact CG1-CG 4.12Å; V141-L145 WeakPolarHBondContact O-CB 3.36Å; V141-L145 VanDerWaalsContact O-CG 3.23Å; V141-L145 WeakPolarHBondContact O-CG 3.45Å; V141-L145 PolarHBondContact O-N 3.25Å; Y142-L145 PolarHBondContact O-N 2.96Å; L145-R160 HydrophobicContact CB-CG 3.94Å; L145-R160 HydrophobicContact CD2-CB 4.39Å; L145-R160 HydrophobicContact CD2-CG 3.82Å; L145-R160 HydrophobicContact CG-CG 4.35Å; L145-R160 WeakPolarHBondContact O-CD 3.26Å; L145-R160 PolarHBondContact O-NE 3.18Å; L145-K163 HydrophobicContact CD1-CB 4.16Å; L145-K163 HydrophobicContact CD1-CD 3.98Å; L145-V164 HydrophobicContact CB-CG2 3.82Å
146	K	90.6	Very high	89.8	Confident	70 Å²	70	65.4 Å²	65.4	30%	0.304	34%	0.344	S	S	.	.	H	α-helix	trans	-69.8	-39.7	178.9	-179.8	68.5	178.3	-178.3	0	112.2	Y142 F143 E144 V164 E168 G239	Y142-K146 WeakPolarHBondContact O-CB 3.41Å; Y142-K146 PolarHBondContact O-N 2.92Å; F143-K146 PolarHBondContact O-N 3.18Å; E144-K146 VanDerWaalsContact C-N 3.31Å; E144-K146 PolarHBondContact O-N 3.14Å; K146-V164 HydrophobicContact CB-CG1 4.43Å; K146-V164 HydrophobicContact CB-CG2 4.37Å; K146-V164 HydrophobicContact CD-CG1 3.45Å; K146-V164 VanDerWaalsContact CD-CG1 3.45Å; K146-E168 WeakPolarHBondContact CD-OE1 3.4Å; K146-E168 WeakPolarHBondContact CE-OE1 3.39Å; K146-E168 IonicContact NZ-OE1 2.79Å; K146-E168 PolarHBondContact NZ-OE1 2.8Å; K146-E168 IonicContact NZ-OE2 3.15Å; K146-G239 WeakPolarHBondContact CE-O 3.49Å; K146-G239 PolarHBondContact NZ-O 3.06Å
147	N	87.5	Confident	89.8	Confident	84 Å²	84	64 Å²	64	45%	0.449	34%	0.339	S	S	.	.	H	α-helix	trans	-81.7	-15	-178.2	-68	-24.7	0	0	0	113.3	F143 E144 V149	F143-N147 WeakPolarHBondContact CE1-ND2 3.48Å; F143-N147 VanDerWaalsContact CE2-ND2 3.35Å; F143-N147 WeakPolarHBondContact CE2-ND2 3.27Å; F143-N147 WeakPolarHBondContact CZ-ND2 3.36Å; F143-N147 PolarHBondContact O-N 2.88Å; F143-N147 VanDerWaalsContact O-N 3.14Å; F143-N147 PolarHBondContact O-ND2 3.47Å; E144-N147 PolarHBondContact O-N 3.43Å; N147-V149 PolarHBondContact O-N 2.99Å
148	K	87.5	Confident	89.9	Confident	84 Å²	84	57.7 Å²	57.7	37%	0.365	31%	0.309	S	S	.	.			trans	-71.7	117.2	175.4	-174.3	174.1	-179.1	-175.1	0	111.3	E144 S150 D151 R160	E144-K148 WeakPolarHBondContact O-CB 3.49Å; E144-K148 PolarHBondContact O-N 2.9Å; K148-S150 WeakPolarHBondContact CE-O 3.4Å; K148-S150 WeakPolarHBondContact CG-O 3.32Å; K148-D151 IonicContact NZ-OD1 2.72Å; K148-D151 PolarHBondContact NZ-OD1 3.4Å; K148-D151 IonicContact NZ-OD2 2.68Å; K148-D151 PolarHBondContact NZ-OD2 2.91Å; K148-R160 PolarHBondContact O-NE 3.23Å; K148-R160 VanDerWaalsContact O-NE 3.14Å; K148-R160 PolarHBondContact O-NH2 2.89Å
149	V	79.3	Confident	90	Very high	136 Å²	136	57 Å²	57	82%	0.824	31%	0.308	S	S	*	.			trans	-62.8	-48.8	-178.5	-179.9	0	0	0	0	112.3	N147 R160	N147-V149 PolarHBondContact O-N 2.99Å; V149-R160 PolarHBondContact O-NH2 3.45Å; V149-R160 VanDerWaalsContact O-NH2 3.09Å
150	S	80.6	Confident	90	Very high	78 Å²	78	56.5 Å²	56.5	55%	0.545	31%	0.306	S	S	.	.			trans	-151.9	160.5	-180	64.8	0	0	0	0	111.9	K148	K148-S150 WeakPolarHBondContact CE-O 3.4Å; K148-S150 WeakPolarHBondContact CG-O 3.32Å
151	D	84.6	Confident	90	Very high	39 Å²	39	57.2 Å²	57.2	21%	0.209	31%	0.306	C	S	.	.			trans	-103	174.3	172.4	-136.3	-46.7	0	0	0	112.9	K148 S153 K156 D157 R160	K148-D151 IonicContact NZ-OD1 2.72Å; K148-D151 PolarHBondContact NZ-OD1 3.4Å; K148-D151 IonicContact NZ-OD2 2.68Å; K148-D151 PolarHBondContact NZ-OD2 2.91Å; D151-S153 PolarHBondContact O-N 3.36Å; D151-K156 HydrophobicContact CB-CB 3.79Å; D151-D157 HydrophobicContact CB-CB 4.09Å; D151-D157 PolarHBondContact N-OD1 3.21Å; D151-R160 VanDerWaalsContact N-NH1 3.2Å
152	T	85.6	Confident	90.2	Very high	116 Å²	116	55.3 Å²	55.3	71%	0.712	29%	0.291	S	S	*	.	S	Bend	trans	-66.9	-20.5	179.8	61.3	0	0	0	0	113.6	K156	T152-K156 PolarHBondContact OG1-NZ 3.45Å
153	S	92	Very high	90.3	Very high	31 Å²	31	58 Å²	58	22%	0.217	30%	0.303	C	S	.	.	S	Bend	trans	-144.8	153.1	179.6	83.8	0	0	0	0	110.6	E77 D151 L155 K156 D157	E77-S153 WeakPolarHBondContact OE1-CB 3.28Å; D151-S153 PolarHBondContact O-N 3.36Å; S153-L155 VanDerWaalsContact C-N 3.26Å; S153-L155 PolarHBondContact O-N 3.46Å; S153-K156 PolarHBondContact O-N 3.4Å; S153-K156 PolarHBondContact OG-N 3.37Å; S153-D157 WeakPolarHBondContact O-CB 3.41Å; S153-D157 PolarHBondContact O-N 2.91Å
154	N	91.9	Very high	90.5	Very high	48 Å²	48	57.6 Å²	57.6	26%	0.257	30%	0.302	S	S	.	.	H	α-helix	trans	-58.2	-38.3	175.5	-65.9	-30	0	0	0	111.2	E77 P78 D157 L158	E77-N154 WeakPolarHBondContact OE1-CA 3.48Å; E77-N154 WeakPolarHBondContact OE1-CB 3.35Å; E77-N154 PolarHBondContact OE1-N 3.44Å; P78-N154 HydrophobicContact CG-CB 3.9Å; P78-N154 PolarHBondContact O-ND2 2.96Å; N154-D157 PolarHBondContact O-N 2.98Å; N154-L158 WeakPolarHBondContact O-CB 3.39Å; N154-L158 WeakPolarHBondContact O-CD1 2.95Å; N154-L158 WeakPolarHBondContact O-CG 3.4Å; N154-L158 PolarHBondContact O-N 3.2Å
155	L	92.2	Very high	90.7	Very high	26 Å²	26	52 Å²	52	14%	0.136	28%	0.276	C	S	.	.	H	α-helix	trans	-62.5	-44.6	176.2	-77.5	176.6	0	0	0	112.9	L72 E77 S153 L158 D159	L72-L155 HydrophobicContact CD2-CD2 3.87Å; E77-L155 PolarHBondContact OE1-N 3.17Å; E77-L155 WeakPolarHBondContact OE2-CB 3.33Å; E77-L155 WeakPolarHBondContact OE2-CD1 3.38Å; E77-L155 VanDerWaalsContact OE2-CG 3.24Å; E77-L155 WeakPolarHBondContact OE2-CG 3.35Å; S153-L155 VanDerWaalsContact C-N 3.26Å; S153-L155 PolarHBondContact O-N 3.46Å; L155-L158 PolarHBondContact O-N 3.27Å; L155-D159 PolarHBondContact O-N 3.2Å
156	K	91.6	Very high	90.9	Very high	111 Å²	111	51 Å²	51	48%	0.483	27%	0.27	S	S	.	.	H	α-helix	trans	-69.5	-37.6	177.1	-70.2	-176.6	-174.4	174.1	0	111.6	D151 T152 S153 L158 D159 R160	D151-K156 HydrophobicContact CB-CB 3.79Å; T152-K156 PolarHBondContact OG1-NZ 3.45Å; S153-K156 PolarHBondContact O-N 3.4Å; S153-K156 PolarHBondContact OG-N 3.37Å; K156-L158 VanDerWaalsContact C-N 3.31Å; K156-L158 PolarHBondContact O-N 3.49Å; K156-D159 PolarHBondContact O-N 3.27Å; K156-R160 WeakPolarHBondContact O-CB 3.36Å; K156-R160 PolarHBondContact O-N 3.07Å
157	D	92.4	Very high	91.2	Very high	20 Å²	20	47.8 Å²	47.8	11%	0.107	26%	0.256	C	S	.	.	H	α-helix	trans	-59.3	-44.6	174.7	-167.9	72.2	0	0	0	110.9	D151 S153 N154 R160 Q161	D151-D157 HydrophobicContact CB-CB 4.09Å; D151-D157 PolarHBondContact N-OD1 3.21Å; S153-D157 WeakPolarHBondContact O-CB 3.41Å; S153-D157 PolarHBondContact O-N 2.91Å; N154-D157 PolarHBondContact O-N 2.98Å; D157-R160 WeakPolarHBondContact O-CB 3.39Å; D157-R160 PolarHBondContact O-N 3.39Å; D157-R160 IonicContact OD1-CZ 3.66Å; D157-R160 IonicContact OD1-NH1 3.48Å; D157-R160 PolarHBondContact OD1-NH1 3.46Å; D157-R160 IonicContact OD1-NH2 3.94Å; D157-R160 PolarHBondContact OD1-NH2 3.36Å; D157-Q161 WeakPolarHBondContact O-CB 3.36Å; D157-Q161 VanDerWaalsContact O-CG 3.23Å; D157-Q161 WeakPolarHBondContact O-CG 3.28Å; D157-Q161 PolarHBondContact O-N 3.03Å
158	L	94.3	Very high	91.6	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-65.2	-42.2	176.2	-74.3	167.5	0	0	0	113.6	F68 P78 S81 L84 I88 N154 L155 K156 R160 Q161 Y162	F68-L158 HydrophobicContact CE2-CB 4.45Å; F68-L158 HydrophobicContact CZ-CB 4.22Å; P78-L158 HydrophobicContact CG-CD1 4.05Å; S81-L158 WeakPolarHBondContact O-CD2 3.22Å; L84-L158 HydrophobicContact CB-CD1 3.92Å; L84-L158 HydrophobicContact CB-CD2 3.53Å; L84-L158 HydrophobicContact CB-CG 4.39Å; L84-L158 HydrophobicContact CD1-CD1 3.46Å; L84-L158 VanDerWaalsContact CD1-CD1 3.46Å; L84-L158 HydrophobicContact CG-CD1 4.31Å; I88-L158 HydrophobicContact CD1-CD2 4.27Å; N154-L158 WeakPolarHBondContact O-CB 3.39Å; N154-L158 WeakPolarHBondContact O-CD1 2.95Å; N154-L158 WeakPolarHBondContact O-CG 3.4Å; N154-L158 PolarHBondContact O-N 3.2Å; L155-L158 PolarHBondContact O-N 3.27Å; K156-L158 VanDerWaalsContact C-N 3.31Å; K156-L158 PolarHBondContact O-N 3.49Å; L158-R160 VanDerWaalsContact C-N 3.34Å; L158-Q161 PolarHBondContact O-N 3.27Å; L158-Y162 VanDerWaalsContact O-CB 3.24Å; L158-Y162 WeakPolarHBondContact O-CB 3.38Å; L158-Y162 PolarHBondContact O-N 3.21Å
159	D	93.2	Very high	92	Very high	60 Å²	60	40.9 Å²	40.9	32%	0.321	22%	0.223	S	C	.	.	H	α-helix	trans	-62.9	-41.5	174.9	-178.6	70.4	0	0	0	111.6	L155 K156 Y162 K163	L155-D159 PolarHBondContact O-N 3.2Å; K156-D159 PolarHBondContact O-N 3.27Å; D159-Y162 PolarHBondContact O-N 3.46Å; D159-K163 WeakPolarHBondContact O-CG 3.43Å; D159-K163 PolarHBondContact O-N 2.74Å; D159-K163 VanDerWaalsContact O-N 3.08Å; D159-K163 IonicContact OD1-NZ 3.1Å; D159-K163 VanDerWaalsContact OD2-CE 3.28Å; D159-K163 WeakPolarHBondContact OD2-CE 3.45Å; D159-K163 IonicContact OD2-NZ 3.3Å; D159-K163 PolarHBondContact OD2-NZ 3.4Å
160	R	94.3	Very high	92.9	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.008	18%	0.183	C	C	.	.	H	α-helix	trans	-59	-55.5	173.2	176.7	177.2	96.1	-98.6	-7.8	111.2	L145 K148 V149 D151 K156 D157 L158 Y162 K163 V164	L145-R160 HydrophobicContact CB-CG 3.94Å; L145-R160 HydrophobicContact CD2-CB 4.39Å; L145-R160 HydrophobicContact CD2-CG 3.82Å; L145-R160 HydrophobicContact CG-CG 4.35Å; L145-R160 WeakPolarHBondContact O-CD 3.26Å; L145-R160 PolarHBondContact O-NE 3.18Å; K148-R160 PolarHBondContact O-NE 3.23Å; K148-R160 VanDerWaalsContact O-NE 3.14Å; K148-R160 PolarHBondContact O-NH2 2.89Å; V149-R160 PolarHBondContact O-NH2 3.45Å; V149-R160 VanDerWaalsContact O-NH2 3.09Å; D151-R160 VanDerWaalsContact N-NH1 3.2Å; K156-R160 WeakPolarHBondContact O-CB 3.36Å; K156-R160 PolarHBondContact O-N 3.07Å; D157-R160 WeakPolarHBondContact O-CB 3.39Å; D157-R160 PolarHBondContact O-N 3.39Å; D157-R160 IonicContact OD1-CZ 3.66Å; D157-R160 IonicContact OD1-NH1 3.48Å; D157-R160 PolarHBondContact OD1-NH1 3.46Å; D157-R160 IonicContact OD1-NH2 3.94Å; D157-R160 PolarHBondContact OD1-NH2 3.36Å; L158-R160 VanDerWaalsContact C-N 3.34Å; R160-Y162 VanDerWaalsContact C-N 3.26Å; R160-Y162 PolarHBondContact O-N 2.82Å; R160-K163 PolarHBondContact O-N 3.29Å; R160-K163 VanDerWaalsContact O-N 3.15Å; R160-V164 HydrophobicContact CG-CG2 4.46Å; R160-V164 WeakPolarHBondContact O-CG2 3.09Å; R160-V164 PolarHBondContact O-N 2.87Å
161	Q	93.3	Very high	93.7	Very high	40 Å²	40	31 Å²	31	19%	0.187	16%	0.159	C	C	.	.	H	α-helix	trans	-59.6	-39.5	-178.2	-68.8	-68.2	-6.1	0	0	111.4	Y85 D157 L158 V164 I165	Y85-Q161 HydrophobicContact CD2-CB 3.79Å; Y85-Q161 HydrophobicContact CD2-CG 3.8Å; Y85-Q161 HydrophobicContact CE2-CB 4.07Å; Y85-Q161 HydrophobicContact CE2-CG 3.97Å; D157-Q161 WeakPolarHBondContact O-CB 3.36Å; D157-Q161 VanDerWaalsContact O-CG 3.23Å; D157-Q161 WeakPolarHBondContact O-CG 3.28Å; D157-Q161 PolarHBondContact O-N 3.03Å; L158-Q161 PolarHBondContact O-N 3.27Å; Q161-V164 PolarHBondContact O-N 3.34Å; Q161-I165 WeakPolarHBondContact O-CB 3.43Å; Q161-I165 WeakPolarHBondContact O-CD1 3.31Å; Q161-I165 VanDerWaalsContact O-CG1 3.27Å; Q161-I165 WeakPolarHBondContact O-CG1 3.19Å; Q161-I165 PolarHBondContact O-N 3.4Å
162	Y	95.2	Very high	94.2	Very high	32 Å²	32	30.5 Å²	30.5	13%	0.125	16%	0.155	C	C	.	.	H	α-helix	trans	-57.3	-51.2	173.8	174.8	-94.6	0	0	0	112.1	K64 F68 I88 L158 D159 R160 V164 I165 E166	K64-Y162 HydrophobicContact CB-CE2 4.17Å; K64-Y162 HydrophobicContact CD-CD2 4.04Å; K64-Y162 HydrophobicContact CD-CE2 3.87Å; F68-Y162 AromaticContact CD1-CD2 3.84Å; F68-Y162 HydrophobicContact CD1-CD2 3.84Å; F68-Y162 HydrophobicContact CD1-CE2 4.18Å; F68-Y162 HydrophobicContact CD1-CG 4.41Å; F68-Y162 AromaticContact CE1-CD2 3.57Å; F68-Y162 HydrophobicContact CE1-CD2 3.57Å; F68-Y162 HydrophobicContact CE1-CE2 4.31Å; F68-Y162 AromaticContact CE1-CG 3.73Å; F68-Y162 HydrophobicContact CE1-CG 3.73Å; I88-Y162 HydrophobicContact CG2-CD2 4.14Å; L158-Y162 VanDerWaalsContact O-CB 3.24Å; L158-Y162 WeakPolarHBondContact O-CB 3.38Å; L158-Y162 PolarHBondContact O-N 3.21Å; D159-Y162 PolarHBondContact O-N 3.46Å; R160-Y162 VanDerWaalsContact C-N 3.26Å; R160-Y162 PolarHBondContact O-N 2.82Å; Y162-V164 PolarHBondContact O-N 3.43Å; Y162-I165 PolarHBondContact O-N 2.89Å; Y162-E166 HydrophobicContact CD1-CG 4.24Å; Y162-E166 HydrophobicContact CD2-CG 4.33Å; Y162-E166 HydrophobicContact CE1-CG 3.79Å; Y162-E166 HydrophobicContact CE2-CG 3.92Å; Y162-E166 HydrophobicContact CG-CG 4.48Å; Y162-E166 WeakPolarHBondContact O-CB 3.37Å; Y162-E166 VanDerWaalsContact O-CG 3.28Å; Y162-E166 WeakPolarHBondContact O-CG 3.01Å; Y162-E166 PolarHBondContact O-N 3.33Å
163	K	95.3	Very high	94.8	Very high	71 Å²	71	25 Å²	25	31%	0.309	12%	0.121	S	C	.	.	H	α-helix	trans	-60.2	-46.2	179	-74.3	168.7	177.2	162.4	0	112.2	Y142 L145 D159 R160 I165 E166 Y167	Y142-K163 HydrophobicContact CE1-CB 3.99Å; Y142-K163 WeakPolarHBondContact CE1-O 3.4Å; L145-K163 HydrophobicContact CD1-CB 4.16Å; L145-K163 HydrophobicContact CD1-CD 3.98Å; D159-K163 WeakPolarHBondContact O-CG 3.43Å; D159-K163 PolarHBondContact O-N 2.74Å; D159-K163 VanDerWaalsContact O-N 3.08Å; D159-K163 IonicContact OD1-NZ 3.1Å; D159-K163 VanDerWaalsContact OD2-CE 3.28Å; D159-K163 WeakPolarHBondContact OD2-CE 3.45Å; D159-K163 IonicContact OD2-NZ 3.3Å; D159-K163 PolarHBondContact OD2-NZ 3.4Å; R160-K163 PolarHBondContact O-N 3.29Å; R160-K163 VanDerWaalsContact O-N 3.15Å; K163-I165 PolarHBondContact O-N 3.27Å; K163-E166 PolarHBondContact O-N 3.03Å; K163-Y167 PolarHBondContact O-N 3.49Å; K163-Y167 VanDerWaalsContact O-N 3.08Å
164	V	94.9	Very high	95.1	Very high	7 Å²	7	23.6 Å²	23.6	4%	0.042	11%	0.111	C	C	.	.	H	α-helix	trans	-57.9	-50.4	177.6	169.2	0	0	0	0	110.7	L145 K146 R160 Q161 Y162 E166 Y167 E168	L145-V164 HydrophobicContact CB-CG2 3.82Å; K146-V164 HydrophobicContact CB-CG1 4.43Å; K146-V164 HydrophobicContact CB-CG2 4.37Å; K146-V164 HydrophobicContact CD-CG1 3.45Å; K146-V164 VanDerWaalsContact CD-CG1 3.45Å; R160-V164 HydrophobicContact CG-CG2 4.46Å; R160-V164 WeakPolarHBondContact O-CG2 3.09Å; R160-V164 PolarHBondContact O-N 2.87Å; Q161-V164 PolarHBondContact O-N 3.34Å; Y162-V164 PolarHBondContact O-N 3.43Å; V164-E166 PolarHBondContact O-N 2.91Å; V164-Y167 WeakPolarHBondContact O-CB 3.23Å; V164-Y167 PolarHBondContact O-N 3.29Å; V164-E168 WeakPolarHBondContact CG1-OE1 3.45Å; V164-E168 WeakPolarHBondContact O-CG 3.47Å; V164-E168 PolarHBondContact O-N 3.34Å
165	I	95.5	Very high	95.4	Very high	3 Å²	3	22 Å²	22	2%	0.015	10%	0.103	C	C	.	.	H	α-helix	trans	-64	-38.8	-179.2	-72.9	163.9	0	0	0	112.1	Y85 I88 Y89 L92 Q161 Y162 K163 Y167 E168 K169	Y85-I165 HydrophobicContact CD2-CD1 4.42Å; Y85-I165 HydrophobicContact CE2-CD1 3.97Å; I88-I165 HydrophobicContact CB-CD1 4.31Å; I88-I165 HydrophobicContact CG2-CB 4.19Å; I88-I165 HydrophobicContact CG2-CD1 3.62Å; I88-I165 HydrophobicContact CG2-CG2 4.1Å; Y89-I165 HydrophobicContact CD2-CD1 4.31Å; L92-I165 HydrophobicContact CB-CG2 4.07Å; Q161-I165 WeakPolarHBondContact O-CB 3.43Å; Q161-I165 WeakPolarHBondContact O-CD1 3.31Å; Q161-I165 VanDerWaalsContact O-CG1 3.27Å; Q161-I165 WeakPolarHBondContact O-CG1 3.19Å; Q161-I165 PolarHBondContact O-N 3.4Å; Y162-I165 PolarHBondContact O-N 2.89Å; K163-I165 PolarHBondContact O-N 3.27Å; I165-Y167 VanDerWaalsContact C-N 3.31Å; I165-Y167 PolarHBondContact O-N 3.44Å; I165-E168 PolarHBondContact O-N 3.49Å; I165-K169 PolarHBondContact O-N 3.25Å
166	E	96.9	Very high	95.7	Very high	12 Å²	12	20.8 Å²	20.8	6%	0.056	10%	0.097	C	C	.	.	H	α-helix	trans	-64.9	-33.9	176	-71.3	-67.6	116.5	0	0	112.6	K64 Y128 Y162 K163 V164 K169 G170	K64-E166 VanDerWaalsContact CE-OE1 3.29Å; K64-E166 WeakPolarHBondContact CE-OE1 3.08Å; K64-E166 IonicContact NZ-OE1 2.64Å; K64-E166 PolarHBondContact NZ-OE1 2.91Å; Y128-E166 HydrophobicContact CD1-CB 3.88Å; Y128-E166 WeakPolarHBondContact CD1-O 3.47Å; Y128-E166 HydrophobicContact CE1-CB 3.31Å; Y128-E166 HydrophobicContact CE1-CG 4.46Å; Y128-E166 HydrophobicContact CE2-CB 4.28Å; Y162-E166 HydrophobicContact CD1-CG 4.24Å; Y162-E166 HydrophobicContact CD2-CG 4.33Å; Y162-E166 HydrophobicContact CE1-CG 3.79Å; Y162-E166 HydrophobicContact CE2-CG 3.92Å; Y162-E166 HydrophobicContact CG-CG 4.48Å; Y162-E166 WeakPolarHBondContact O-CB 3.37Å; Y162-E166 VanDerWaalsContact O-CG 3.28Å; Y162-E166 WeakPolarHBondContact O-CG 3.01Å; Y162-E166 PolarHBondContact O-N 3.33Å; K163-E166 PolarHBondContact O-N 3.03Å; V164-E166 PolarHBondContact O-N 2.91Å; E166-K169 VanDerWaalsContact CD-CE 3.4Å; E166-K169 WeakPolarHBondContact O-CG 3.02Å; E166-K169 VanDerWaalsContact OE1-CE 3.32Å; E166-K169 WeakPolarHBondContact OE1-CE 3.47Å; E166-K169 IonicContact OE1-NZ 3.99Å; E166-K169 PolarHBondContact OE1-NZ 3.11Å; E166-K169 WeakPolarHBondContact OE2-CE 3.41Å; E166-K169 IonicContact OE2-NZ 3.44Å; E166-K169 PolarHBondContact OE2-NZ 3.44Å; E166-G170 PolarHBondContact O-N 2.64Å
167	Y	96.7	Very high	96	Very high	4 Å²	4	15.5 Å²	15.5	2%	0.016	7%	0.074	C	C	.	.	H	α-helix	trans	-68.7	-47	174	-164.6	-85.6	0	0	0	111.2	L129 Q132 Y142 K163 V164 I165 K169 G170 I171 P217 W241	L129-Y167 HydrophobicContact CD1-CD1 4.11Å; L129-Y167 HydrophobicContact CD1-CD2 3.91Å; L129-Y167 HydrophobicContact CD1-CE1 3.96Å; L129-Y167 HydrophobicContact CD1-CE2 3.76Å; L129-Y167 HydrophobicContact CD1-CG 4.09Å; Q132-Y167 HydrophobicContact CB-CD2 4.21Å; Q132-Y167 HydrophobicContact CB-CE2 4.36Å; Y142-Y167 AromaticContact CD1-CD2 3.66Å; Y142-Y167 HydrophobicContact CD1-CD2 3.66Å; Y142-Y167 HydrophobicContact CD1-CE2 4.5Å; Y142-Y167 AromaticContact CD1-CG 3.88Å; Y142-Y167 HydrophobicContact CD1-CG 3.88Å; Y142-Y167 AromaticContact CD2-CD2 3.74Å; Y142-Y167 HydrophobicContact CD2-CD2 3.74Å; Y142-Y167 AromaticContact CD2-CE2 3.87Å; Y142-Y167 HydrophobicContact CD2-CE2 3.87Å; Y142-Y167 AromaticContact CE1-CD2 3.92Å; Y142-Y167 HydrophobicContact CE1-CD2 3.92Å; Y142-Y167 HydrophobicContact CE1-CG 4.33Å; Y142-Y167 HydrophobicContact CE2-CD2 4.06Å; Y142-Y167 HydrophobicContact CE2-CE2 4.38Å; Y142-Y167 AromaticContact CG-CD2 3.58Å; Y142-Y167 HydrophobicContact CG-CD2 3.58Å; Y142-Y167 AromaticContact CG-CE2 3.98Å; Y142-Y167 HydrophobicContact CG-CE2 3.98Å; Y142-Y167 HydrophobicContact CG-CG 4.08Å; K163-Y167 PolarHBondContact O-N 3.49Å; K163-Y167 VanDerWaalsContact O-N 3.08Å; V164-Y167 WeakPolarHBondContact O-CB 3.23Å; V164-Y167 PolarHBondContact O-N 3.29Å; I165-Y167 VanDerWaalsContact C-N 3.31Å; I165-Y167 PolarHBondContact O-N 3.44Å; Y167-K169 PolarHBondContact O-N 2.67Å; Y167-G170 WeakPolarHBondContact O-CA 3.31Å; Y167-G170 PolarHBondContact O-N 3.02Å; Y167-G170 VanDerWaalsContact O-N 3.12Å; Y167-I171 PolarHBondContact O-N 3.43Å; Y167-P217 HydrophobicContact CE1-CB 4.48Å; Y167-P217 VanDerWaalsContact OH-CA 3.3Å; Y167-P217 WeakPolarHBondContact OH-CA 3.45Å; Y167-P217 VanDerWaalsContact OH-CB 3.24Å; Y167-P217 WeakPolarHBondContact OH-CB 3.06Å; Y167-P217 PolarHBondContact OH-O 2.89Å; Y167-W241 HydrophobicContact CE1-CH2 4.35Å; Y167-W241 HydrophobicContact CE1-CZ2 4.11Å
168	E	95.9	Very high	96.2	Very high	18 Å²	18	16.4 Å²	16.4	8%	0.084	8%	0.076	C	C	.	.	H	α-helix	trans	-63.4	-43.9	-177.7	-70.5	-173.8	-144.4	0	0	113.4	L92 K146 V164 I165 G170 I171 K172 W235	L92-E168 HydrophobicContact CD1-CB 3.94Å; L92-E168 HydrophobicContact CD2-CB 4.08Å; L92-E168 WeakPolarHBondContact CD2-OE2 3.37Å; K146-E168 WeakPolarHBondContact CD-OE1 3.4Å; K146-E168 WeakPolarHBondContact CE-OE1 3.39Å; K146-E168 IonicContact NZ-OE1 2.79Å; K146-E168 PolarHBondContact NZ-OE1 2.8Å; K146-E168 IonicContact NZ-OE2 3.15Å; V164-E168 WeakPolarHBondContact CG1-OE1 3.45Å; V164-E168 WeakPolarHBondContact O-CG 3.47Å; V164-E168 PolarHBondContact O-N 3.34Å; I165-E168 PolarHBondContact O-N 3.49Å; E168-G170 PolarHBondContact O-N 3.37Å; E168-I171 WeakPolarHBondContact O-CB 3.32Å; E168-I171 PolarHBondContact O-N 2.9Å; E168-K172 PolarHBondContact O-N 3.06Å; E168-W235 HydrophobicContact CB-CZ2 4.33Å; E168-W235 HydrophobicContact CG-CH2 3.4Å; E168-W235 VanDerWaalsContact CG-CH2 3.4Å; E168-W235 HydrophobicContact CG-CZ2 3.63Å; E168-W235 HydrophobicContact CG-CZ3 4.45Å
169	K	96.2	Very high	96.3	Very high	5 Å²	5	16.7 Å²	16.7	2%	0.022	8%	0.077	C	C	.	.	H	α-helix	trans	-64	-28.8	176.8	76.5	-180	-160.1	177	0	111.6	E91 L92 W121 S125 I165 E166 Y167 I171 K172 A173	E91-K169 WeakPolarHBondContact OE1-CD 3.37Å; E91-K169 IonicContact OE1-NZ 2.67Å; E91-K169 PolarHBondContact OE1-NZ 2.8Å; E91-K169 IonicContact OE2-NZ 3.4Å; L92-K169 HydrophobicContact CD1-CB 4.18Å; W121-K169 HydrophobicContact CH2-CB 4.27Å; W121-K169 HydrophobicContact CZ2-CB 4.04Å; W121-K169 HydrophobicContact CZ2-CD 4.12Å; W121-K169 HydrophobicContact CZ2-CG 4.3Å; S125-K169 WeakPolarHBondContact OG-CE 3.2Å; I165-K169 PolarHBondContact O-N 3.25Å; E166-K169 VanDerWaalsContact CD-CE 3.4Å; E166-K169 WeakPolarHBondContact O-CG 3.02Å; E166-K169 VanDerWaalsContact OE1-CE 3.32Å; E166-K169 WeakPolarHBondContact OE1-CE 3.47Å; E166-K169 IonicContact OE1-NZ 3.99Å; E166-K169 PolarHBondContact OE1-NZ 3.11Å; E166-K169 WeakPolarHBondContact OE2-CE 3.41Å; E166-K169 IonicContact OE2-NZ 3.44Å; E166-K169 PolarHBondContact OE2-NZ 3.44Å; Y167-K169 PolarHBondContact O-N 2.67Å; K169-I171 VanDerWaalsContact C-N 3.32Å; K169-K172 PolarHBondContact O-N 3.48Å; K169-A173 WeakPolarHBondContact O-CB 3.37Å; K169-A173 PolarHBondContact O-N 2.74Å
170	G	97.8	Very high	96.4	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-60.6	-42.2	172	0	0	0	0	0	111.6	E166 Y167 E168 A173 I174	E166-G170 PolarHBondContact O-N 2.64Å; Y167-G170 WeakPolarHBondContact O-CA 3.31Å; Y167-G170 PolarHBondContact O-N 3.02Å; Y167-G170 VanDerWaalsContact O-N 3.12Å; E168-G170 PolarHBondContact O-N 3.37Å; G170-A173 WeakPolarHBondContact O-CB 3.39Å; G170-A173 PolarHBondContact O-N 2.85Å; G170-I174 PolarHBondContact O-N 2.94Å
171	I	97.1	Very high	96.4	Very high	7 Å²	7	13.8 Å²	13.8	4%	0.036	6%	0.062	C	C	.	.	H	α-helix	trans	-65.2	-42	174.3	-57	-68.2	0	0	0	110.8	L129 Y167 E168 K169 A173 I174 P217 P254	L129-I171 HydrophobicContact CD1-CD1 4.18Å; L129-I171 HydrophobicContact CD2-CD1 3.81Å; L129-I171 HydrophobicContact CD2-CG1 4.47Å; Y167-I171 PolarHBondContact O-N 3.43Å; E168-I171 WeakPolarHBondContact O-CB 3.32Å; E168-I171 PolarHBondContact O-N 2.9Å; K169-I171 VanDerWaalsContact C-N 3.32Å; I171-A173 VanDerWaalsContact C-N 3.3Å; I171-A173 PolarHBondContact O-N 2.94Å; I171-I174 HydrophobicContact CD1-CD1 4.35Å; I171-I174 WeakPolarHBondContact O-CB 3.46Å; I171-I174 PolarHBondContact O-N 3.34Å; I171-P217 HydrophobicContact CD1-CB 4.21Å; I171-P217 HydrophobicContact CD1-CG 4.22Å; I171-P254 HydrophobicContact CG2-CB 4.43Å; I171-P254 HydrophobicContact CG2-CG 3.96Å
172	K	96.6	Very high	96.3	Very high	27 Å²	27	14.3 Å²	14.3	12%	0.117	6%	0.064	C	C	.	.	H	α-helix	trans	-62	-36.4	175.6	-62.5	-71	172.8	180	0	112.7	L92 A95 N96 E99 E168 K169 I174 T175 I176	L92-K172 HydrophobicContact CD1-CG 4.03Å; A95-K172 HydrophobicContact CB-CB 4.34Å; N96-K172 WeakPolarHBondContact OD1-CE 3.46Å; N96-K172 PolarHBondContact OD1-NZ 2.92Å; E99-K172 IonicContact OE1-NZ 2.86Å; E99-K172 WeakPolarHBondContact OE2-CD 3.3Å; E99-K172 WeakPolarHBondContact OE2-CE 3.43Å; E99-K172 IonicContact OE2-NZ 3.37Å; E99-K172 PolarHBondContact OE2-NZ 2.9Å; E168-K172 PolarHBondContact O-N 3.06Å; K169-K172 PolarHBondContact O-N 3.48Å; K172-I174 PolarHBondContact O-N 3.22Å; K172-T175 PolarHBondContact O-N 2.98Å; K172-I176 WeakPolarHBondContact O-CG1 3.45Å; K172-I176 PolarHBondContact O-N 3.48Å
173	A	98.5	Very high	96.2	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-62.6	-27.1	177.6	0	0	0	0	0	113.1	W121 C122 L126 K169 G170 I171 V177	W121-A173 HydrophobicContact CH2-CB 4.32Å; W121-A173 HydrophobicContact CZ3-CB 3.88Å; C122-A173 HydrophobicContact CB-CB 4.43Å; L126-A173 HydrophobicContact CD2-CB 3.98Å; L126-A173 HydrophobicContact CG-CB 4.03Å; K169-A173 WeakPolarHBondContact O-CB 3.37Å; K169-A173 PolarHBondContact O-N 2.74Å; G170-A173 WeakPolarHBondContact O-CB 3.39Å; G170-A173 PolarHBondContact O-N 2.85Å; I171-A173 VanDerWaalsContact C-N 3.3Å; I171-A173 PolarHBondContact O-N 2.94Å; A173-V177 WeakPolarHBondContact O-CB 3.37Å; A173-V177 VanDerWaalsContact O-CG2 3.31Å; A173-V177 WeakPolarHBondContact O-CG2 3.39Å; A173-V177 PolarHBondContact O-N 2.81Å
174	I	98.5	Very high	95.9	Very high	2 Å²	2	10.4 Å²	10.4	1%	0.01	5%	0.049	C	C	.	.	H	α-helix	trans	-60.4	-52.2	175.6	-65.7	169.1	0	0	0	110.2	L126 L129 G170 I171 K172 V177 R178 L212 W218 P254 Q257 I258	L126-I174 HydrophobicContact CD2-CB 4.48Å; L126-I174 HydrophobicContact CD2-CG1 3.58Å; L129-I174 HydrophobicContact CD2-CD1 4.04Å; G170-I174 PolarHBondContact O-N 2.94Å; I171-I174 HydrophobicContact CD1-CD1 4.35Å; I171-I174 WeakPolarHBondContact O-CB 3.46Å; I171-I174 PolarHBondContact O-N 3.34Å; K172-I174 PolarHBondContact O-N 3.22Å; I174-V177 PolarHBondContact O-N 3.26Å; I174-R178 PolarHBondContact O-N 2.77Å; I174-R178 VanDerWaalsContact O-N 3.07Å; I174-L212 HydrophobicContact CD1-CD1 4.44Å; I174-L212 HydrophobicContact CG1-CD1 4.3Å; I174-W218 HydrophobicContact CD1-CE3 4.25Å; I174-W218 HydrophobicContact CD1-CZ3 3.97Å; I174-P254 HydrophobicContact CD1-CB 4.23Å; I174-Q257 HydrophobicContact CG2-CB 3.96Å; I174-I258 HydrophobicContact CD1-CD1 4.21Å; I174-I258 HydrophobicContact CG2-CD1 4.14Å; I174-I258 HydrophobicContact CG2-CG1 3.49Å; I174-I258 VanDerWaalsContact CG2-CG1 3.49Å
175	T	97.5	Very high	95.7	Very high	16 Å²	16	10.1 Å²	10.1	10%	0.098	5%	0.047	C	C	.	.	H	α-helix	trans	-63.6	-45.9	-179.4	-47.9	0	0	0	0	111.2	E99 K172 V177 R178 H179	E99-T175 HydrophobicContact CG-CG2 3.68Å; E99-T175 WeakPolarHBondContact OE1-CB 3.28Å; E99-T175 WeakPolarHBondContact OE1-CG2 3.35Å; E99-T175 PolarHBondContact OE1-OG1 3.44Å; K172-T175 PolarHBondContact O-N 2.98Å; T175-V177 VanDerWaalsContact C-N 3.32Å; T175-V177 PolarHBondContact O-N 3.17Å; T175-R178 WeakPolarHBondContact O-CB 3.25Å; T175-R178 PolarHBondContact O-N 3.23Å; T175-R178 VanDerWaalsContact O-N 3.14Å; T175-H179 VanDerWaalsContact CG2-CE1 3.44Å; T175-H179 WeakPolarHBondContact CG2-CE1 3.43Å; T175-H179 PolarHBondContact O-N 2.86Å
176	I	98.1	Very high	95.3	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-58.5	-45.3	178.5	-65.7	165.7	0	0	0	110.5	E99 T102 L118 W121 C122 K172 R178 H179 L180	E99-I176 HydrophobicContact CB-CD1 4.41Å; E99-I176 HydrophobicContact CB-CG1 4.04Å; T102-I176 HydrophobicContact CG2-CG2 4.42Å; L118-I176 HydrophobicContact CD1-CG2 4.27Å; L118-I176 HydrophobicContact CD2-CG2 3.98Å; L118-I176 HydrophobicContact CG-CG2 4.17Å; W121-I176 HydrophobicContact CH2-CD1 4.43Å; W121-I176 HydrophobicContact CZ3-CD1 3.85Å; C122-I176 WeakPolarHBondContact SG-CG2 3.37Å; K172-I176 WeakPolarHBondContact O-CG1 3.45Å; K172-I176 PolarHBondContact O-N 3.48Å; I176-R178 VanDerWaalsContact C-N 3.34Å; I176-R178 PolarHBondContact O-N 3.49Å; I176-H179 WeakPolarHBondContact O-CB 3.45Å; I176-H179 PolarHBondContact O-N 2.97Å; I176-L180 HydrophobicContact CG2-CD1 4.12Å; I176-L180 HydrophobicContact CG2-CG 4.28Å; I176-L180 WeakPolarHBondContact O-CG 3.49Å; I176-L180 PolarHBondContact O-N 3.47Å
177	V	97.8	Very high	94.4	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-61.7	-41.2	177.5	160.7	0	0	0	0	112.1	C122 L126 A173 I174 T175 H179 L180 F181 I205	C122-V177 HydrophobicContact CB-CG2 3.45Å; C122-V177 VanDerWaalsContact CB-CG2 3.45Å; L126-V177 HydrophobicContact CD1-CG2 3.88Å; A173-V177 WeakPolarHBondContact O-CB 3.37Å; A173-V177 VanDerWaalsContact O-CG2 3.31Å; A173-V177 WeakPolarHBondContact O-CG2 3.39Å; A173-V177 PolarHBondContact O-N 2.81Å; I174-V177 PolarHBondContact O-N 3.26Å; T175-V177 VanDerWaalsContact C-N 3.32Å; T175-V177 PolarHBondContact O-N 3.17Å; V177-H179 VanDerWaalsContact C-N 3.32Å; V177-H179 PolarHBondContact O-N 3.14Å; V177-L180 PolarHBondContact O-N 2.72Å; V177-F181 HydrophobicContact CG1-CD2 3.53Å; V177-F181 HydrophobicContact CG1-CE2 3.51Å; V177-F181 VanDerWaalsContact O-CD2 3.29Å; V177-F181 WeakPolarHBondContact O-CD2 3.32Å; V177-F181 PolarHBondContact O-N 3.24Å; V177-I205 HydrophobicContact CG1-CG2 3.61Å
178	R	96.6	Very high	93.5	Very high	38 Å²	38	23 Å²	23	14%	0.143	12%	0.124	C	C	.	.	H	α-helix	trans	-57.9	-47.3	174.8	178.3	-89.6	179.7	-157.6	-25.3	110.7	I174 T175 I176 F181 E182 C261	I174-R178 PolarHBondContact O-N 2.77Å; I174-R178 VanDerWaalsContact O-N 3.07Å; T175-R178 WeakPolarHBondContact O-CB 3.25Å; T175-R178 PolarHBondContact O-N 3.23Å; T175-R178 VanDerWaalsContact O-N 3.14Å; I176-R178 VanDerWaalsContact C-N 3.34Å; I176-R178 PolarHBondContact O-N 3.49Å; R178-F181 PolarHBondContact O-N 2.79Å; R178-E182 IonicContact CZ-OE1 3.79Å; R178-E182 IonicContact CZ-OE2 2.8Å; R178-E182 IonicContact NE-OE2 2.62Å; R178-E182 IonicContact NH1-OE1 2.9Å; R178-E182 IonicContact NH1-OE2 2.76Å; R178-E182 PolarHBondContact NH1-OE2 3.36Å; R178-E182 IonicContact NH2-OE1 3.79Å; R178-E182 PolarHBondContact NH2-OE1 3.4Å; R178-E182 IonicContact NH2-OE2 2.83Å; R178-E182 PolarHBondContact NH2-OE2 2.9Å; R178-E182 PolarHBondContact O-N 3.46Å; R178-C261 HydrophobicContact CB-CB 3.98Å; R178-C261 HydrophobicContact CG-CB 4.01Å
179	H	95.6	Very high	92.3	Very high	7 Å²	7	23.6 Å²	23.6	3%	0.032	13%	0.13	C	C	.	.	H	α-helix	trans	-62.2	-42.4	177	-63.6	163.1	0	0	0	112.6	E99 T102 Y103 T175 I176 V177 E182 N183	E99-H179 PolarHBondContact O-CE1 3.3Å; E99-H179 PolarHBondContact O-ND1 2.9Å; T102-H179 VanDerWaalsContact O-CB 3.31Å; T102-H179 WeakPolarHBondContact O-CB 3.42Å; T102-H179 PolarHBondContact OG1-ND1 3.13Å; Y103-H179 AromaticContact CD2-NE2 3.69Å; Y103-H179 PolarHBondContact N-ND1 2.88Å; T175-H179 VanDerWaalsContact CG2-CE1 3.44Å; T175-H179 WeakPolarHBondContact CG2-CE1 3.43Å; T175-H179 PolarHBondContact O-N 2.86Å; I176-H179 WeakPolarHBondContact O-CB 3.45Å; I176-H179 PolarHBondContact O-N 2.97Å; V177-H179 VanDerWaalsContact C-N 3.32Å; V177-H179 PolarHBondContact O-N 3.14Å; H179-E182 PolarHBondContact O-N 3.22Å; H179-N183 WeakPolarHBondContact O-CB 3.44Å; H179-N183 PolarHBondContact O-N 3.43Å; H179-N183 PolarHBondContact O-ND2 3.42Å
180	L	95.5	Very high	91.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-63.5	-42	176.9	-68.2	179	0	0	0	111.6	V115 L118 I176 V177 N183 C184 L191 L199	V115-L180 HydrophobicContact CG2-CD2 3.67Å; L118-L180 HydrophobicContact CD2-CD2 4.49Å; L118-L180 HydrophobicContact CG-CD1 4.45Å; I176-L180 HydrophobicContact CG2-CD1 4.12Å; I176-L180 HydrophobicContact CG2-CG 4.28Å; I176-L180 WeakPolarHBondContact O-CG 3.49Å; I176-L180 PolarHBondContact O-N 3.47Å; V177-L180 PolarHBondContact O-N 2.72Å; L180-N183 CarbonylContact O-C 3.52Å; L180-N183 PolarHBondContact O-N 3.27Å; L180-C184 WeakPolarHBondContact O-CB 3.48Å; L180-C184 PolarHBondContact O-N 2.97Å; L180-C184 PolarHBondContact O-SG 3.06Å; L180-L191 HydrophobicContact CD2-CD1 4.36Å; L180-L199 HydrophobicContact CB-CD1 3.97Å; L180-L199 HydrophobicContact CD1-CD1 4.34Å
181	F	94.6	Very high	90.4	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-66.4	-43.2	177.4	-84.2	-58.6	0	0	0	113	V177 R178 N183 C184 L185 L199 L200 I205 C261 I265	V177-F181 HydrophobicContact CG1-CD2 3.53Å; V177-F181 HydrophobicContact CG1-CE2 3.51Å; V177-F181 VanDerWaalsContact O-CD2 3.29Å; V177-F181 WeakPolarHBondContact O-CD2 3.32Å; V177-F181 PolarHBondContact O-N 3.24Å; R178-F181 PolarHBondContact O-N 2.79Å; F181-N183 VanDerWaalsContact C-N 3.26Å; F181-N183 PolarHBondContact O-N 3.47Å; F181-C184 PolarHBondContact O-N 2.84Å; F181-L185 HydrophobicContact CB-CD1 4.42Å; F181-L185 HydrophobicContact CD1-CD1 3.76Å; F181-L185 HydrophobicContact CD1-CG 4.14Å; F181-L185 HydrophobicContact CG-CD1 4.48Å; F181-L185 VanDerWaalsContact O-CB 3.31Å; F181-L185 WeakPolarHBondContact O-CB 3.44Å; F181-L185 WeakPolarHBondContact O-CG 3.5Å; F181-L185 PolarHBondContact O-N 3.26Å; F181-L199 HydrophobicContact CD1-CD1 4.5Å; F181-L199 HydrophobicContact CE1-CB 3.65Å; F181-L199 HydrophobicContact CE1-CD1 4.26Å; F181-L199 HydrophobicContact CE2-CB 4.28Å; F181-L199 HydrophobicContact CZ-CB 3.48Å; F181-L199 VanDerWaalsContact CZ-CB 3.48Å; F181-L199 HydrophobicContact CZ-CD1 4.31Å; F181-L199 HydrophobicContact CZ-CG 4.49Å; F181-L200 HydrophobicContact CD1-CD2 4.48Å; F181-L200 HydrophobicContact CE1-CD2 3.57Å; F181-L200 HydrophobicContact CE1-CG 3.84Å; F181-L200 HydrophobicContact CZ-CD2 4.02Å; F181-I205 HydrophobicContact CE2-CB 4.04Å; F181-I205 HydrophobicContact CE2-CG2 3.7Å; F181-I205 HydrophobicContact CZ-CB 4.04Å; F181-I205 HydrophobicContact CZ-CG2 4.23Å; F181-C261 WeakPolarHBondContact CD2-SG 3.07Å; F181-I265 HydrophobicContact CB-CG1 4.46Å; F181-I265 HydrophobicContact CD1-CD1 4.25Å; F181-I265 HydrophobicContact CD1-CG1 3.91Å; F181-I265 HydrophobicContact CD2-CD1 3.85Å; F181-I265 HydrophobicContact CD2-CG1 4.3Å; F181-I265 HydrophobicContact CE1-CD1 4.22Å; F181-I265 HydrophobicContact CE1-CG1 4.15Å; F181-I265 HydrophobicContact CE2-CD1 3.77Å; F181-I265 HydrophobicContact CE2-CG1 4.47Å; F181-I265 HydrophobicContact CG-CD1 4.06Å; F181-I265 HydrophobicContact CG-CG1 3.99Å; F181-I265 HydrophobicContact CZ-CD1 3.96Å; F181-I265 HydrophobicContact CZ-CG1 4.39Å
182	E	92.4	Very high	89.5	Confident	52 Å²	52	27.1 Å²	27.1	24%	0.243	16%	0.161	C	C	.	.	H	α-helix	trans	-55.3	-45.1	173.4	-176.5	171.6	-140.9	0	0	111	R178 H179 C184 N186	R178-E182 IonicContact CZ-OE1 3.79Å; R178-E182 IonicContact CZ-OE2 2.8Å; R178-E182 IonicContact NE-OE2 2.62Å; R178-E182 IonicContact NH1-OE1 2.9Å; R178-E182 IonicContact NH1-OE2 2.76Å; R178-E182 PolarHBondContact NH1-OE2 3.36Å; R178-E182 IonicContact NH2-OE1 3.79Å; R178-E182 PolarHBondContact NH2-OE1 3.4Å; R178-E182 IonicContact NH2-OE2 2.83Å; R178-E182 PolarHBondContact NH2-OE2 2.9Å; R178-E182 PolarHBondContact O-N 3.46Å; H179-E182 PolarHBondContact O-N 3.22Å; E182-C184 PolarHBondContact O-N 3.36Å; E182-N186 WeakPolarHBondContact O-CB 3.46Å; E182-N186 PolarHBondContact O-ND2 3.32Å
183	N	91.9	Very high	88.5	Confident	14 Å²	14	30.4 Å²	30.4	8%	0.075	19%	0.186	C	C	.	.	H	α-helix	trans	-85.5	1.1	-179.1	-71	-77.6	0	0	0	115.1	S105 V108 H179 L180 F181 S189 L191	S105-N183 WeakPolarHBondContact CA-OD1 3.49Å; S105-N183 WeakPolarHBondContact CB-OD1 3.47Å; V108-N183 HydrophobicContact CB-CB 4.39Å; V108-N183 HydrophobicContact CG1-CB 3.66Å; H179-N183 WeakPolarHBondContact O-CB 3.44Å; H179-N183 PolarHBondContact O-N 3.43Å; H179-N183 PolarHBondContact O-ND2 3.42Å; L180-N183 CarbonylContact O-C 3.52Å; L180-N183 PolarHBondContact O-N 3.27Å; F181-N183 VanDerWaalsContact C-N 3.26Å; F181-N183 PolarHBondContact O-N 3.47Å; N183-S189 WeakPolarHBondContact O-CB 3.3Å; N183-S189 PolarHBondContact O-OG 3.32Å; N183-L191 HydrophobicContact CB-CD1 3.76Å; N183-L191 HydrophobicContact CB-CG 4.29Å; N183-L191 WeakPolarHBondContact O-CB 3.46Å
184	C	90.6	Very high	87.9	Confident	7 Å²	7	32.3 Å²	32.3	5%	0.047	19%	0.194	C	C	.	.	H	α-helix	trans	-121.1	-12.4	175.1	71.8	0	0	0	0	113.7	L180 F181 E182 L191 I195 G196	L180-C184 WeakPolarHBondContact O-CB 3.48Å; L180-C184 PolarHBondContact O-N 2.97Å; L180-C184 PolarHBondContact O-SG 3.06Å; F181-C184 PolarHBondContact O-N 2.84Å; E182-C184 PolarHBondContact O-N 3.36Å; C184-L191 HydrophobicContact CB-CD1 4.24Å; C184-I195 HydrophobicContact CB-CG2 3.54Å; C184-G196 WeakPolarHBondContact SG-CA 3.39Å
185	L	89.7	Confident	87.5	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-103.2	0.8	176.6	-58.2	-175.4	0	0	0	113.2	F181 L200 Q264 I265 N269 S270 S271 L273	F181-L185 HydrophobicContact CB-CD1 4.42Å; F181-L185 HydrophobicContact CD1-CD1 3.76Å; F181-L185 HydrophobicContact CD1-CG 4.14Å; F181-L185 HydrophobicContact CG-CD1 4.48Å; F181-L185 VanDerWaalsContact O-CB 3.31Å; F181-L185 WeakPolarHBondContact O-CB 3.44Å; F181-L185 WeakPolarHBondContact O-CG 3.5Å; F181-L185 PolarHBondContact O-N 3.26Å; L185-L200 HydrophobicContact CD2-CD1 4.04Å; L185-Q264 HydrophobicContact CB-CG 4.49Å; L185-I265 HydrophobicContact CD1-CB 4.24Å; L185-I265 HydrophobicContact CD1-CG1 3.8Å; L185-N269 HydrophobicContact CB-CB 4.37Å; L185-N269 HydrophobicContact CD1-CB 4.45Å; L185-N269 PolarHBondContact O-OD1 3.42Å; L185-S270 PolarHBondContact O-N 2.75Å; L185-S270 PolarHBondContact O-OG 3.49Å; L185-S271 PolarHBondContact O-N 2.9Å; L185-S271 VanDerWaalsContact O-N 3.12Å; L185-L273 HydrophobicContact CD2-CB 4.43Å; L185-L273 HydrophobicContact CD2-CD1 4.34Å
186	N	87.3	Confident	87.2	Confident	56 Å²	56	31.5 Å²	31.5	30%	0.299	19%	0.189	S	C	.	.	S	Bend	trans	-92.5	135.2	171.5	-75	-17.7	0	0	0	110.9	E182 D188 S189 Q264 S270	E182-N186 WeakPolarHBondContact O-CB 3.46Å; E182-N186 PolarHBondContact O-ND2 3.32Å; N186-D188 PolarHBondContact O-N 3.37Å; N186-S189 WeakPolarHBondContact O-CB 3.37Å; N186-S189 PolarHBondContact O-N 2.87Å; N186-S189 PolarHBondContact O-OG 2.95Å; N186-Q264 PolarHBondContact OD1-NE2 2.91Å; N186-S270 WeakPolarHBondContact CA-OG 3.38Å
187	S	77.1	Confident	86.9	Confident	86 Å²	86	33.9 Å²	33.9	60%	0.601	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-30.5	176.7	55.2	0	0	0	0	113.5	S189 S270	S187-S189 VanDerWaalsContact C-N 3.31Å; S187-S270 PolarHBondContact N-OG 3.38Å
188	D	77.6	Confident	86.6	Confident	147 Å²	147	35.2 Å²	35.2	79%	0.786	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.8	9	-171.9	-55.9	-11.5	0	0	0	112.3	N186	N186-D188 PolarHBondContact O-N 3.37Å
189	S	72.1	Confident	86.6	Confident	32 Å²	32	33.4 Å²	33.4	22%	0.224	20%	0.197	C	C	.	.			trans	-83.5	140.3	-176	62.7	0	0	0	0	113.4	N183 N186 S187 L191	N183-S189 WeakPolarHBondContact O-CB 3.3Å; N183-S189 PolarHBondContact O-OG 3.32Å; N186-S189 WeakPolarHBondContact O-CB 3.37Å; N186-S189 PolarHBondContact O-N 2.87Å; N186-S189 PolarHBondContact O-OG 2.95Å; S187-S189 VanDerWaalsContact C-N 3.31Å; S189-L191 VanDerWaalsContact C-N 3.33Å
190	G	73.2	Confident	86.5	Confident	44 Å²	44	33.1 Å²	33.1	45%	0.454	20%	0.195	S	C	.	.			trans	-84.6	5.2	172.8	0	0	0	0	0	115.2
191	L	80.4	Confident	86.4	Confident	11 Å²	11	36.9 Å²	36.9	6%	0.058	21%	0.21	C	C	.	.	S	Bend	trans	-73.6	146.1	174.8	-80	-176.7	0	0	0	112.3	V108 V115 L180 N183 C184 S189 I195	V108-L191 HydrophobicContact CG1-CD1 3.39Å; V108-L191 HydrophobicContact CG1-CD2 3.51Å; V108-L191 HydrophobicContact CG1-CG 3.39Å; V108-L191 VanDerWaalsContact O-CD2 3.3Å; V108-L191 WeakPolarHBondContact O-CD2 3.46Å; V115-L191 HydrophobicContact CB-CD2 4.4Å; V115-L191 HydrophobicContact CG1-CD2 4.44Å; V115-L191 HydrophobicContact CG2-CD1 4.46Å; V115-L191 HydrophobicContact CG2-CD2 4.03Å; L180-L191 HydrophobicContact CD2-CD1 4.36Å; N183-L191 HydrophobicContact CB-CD1 3.76Å; N183-L191 HydrophobicContact CB-CG 4.29Å; N183-L191 WeakPolarHBondContact O-CB 3.46Å; C184-L191 HydrophobicContact CB-CD1 4.24Å; S189-L191 VanDerWaalsContact C-N 3.33Å; L191-I195 HydrophobicContact CB-CG2 4.28Å; L191-I195 HydrophobicContact CD1-CG2 4.11Å
192	P	77.7	Confident	86.3	Confident	31 Å²	31	39.7 Å²	39.7	20%	0.201	23%	0.227	C	C	.	.			trans	-58.7	128.9	170.6	-24.1	34.2	0	0	0	111.8	H194 I195	P192-H194 WeakPolarHBondContact CB-CD2 3.4Å; P192-H194 WeakPolarHBondContact CB-NE2 3.41Å; P192-H194 PolarHBondContact O-N 2.94Å; P192-I195 WeakPolarHBondContact O-CG2 3.45Å; P192-I195 PolarHBondContact O-N 3.02Å; P192-I195 VanDerWaalsContact O-N 3.12Å
193	P	76.3	Confident	86.4	Confident	96 Å²	96	38.4 Å²	38.4	62%	0.623	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-17.9	-175.6	23.9	-34.4	0	0	0	113.7	I195 G196 R197	P193-I195 PolarHBondContact O-N 3.43Å; P193-G196 PolarHBondContact O-N 3.18Å; P193-R197 PolarHBondContact O-N 3.27Å
194	H	85.4	Confident	86.6	Confident	40 Å²	40	38.9 Å²	38.9	19%	0.185	22%	0.224	C	C	.	.	H	α-helix	trans	-62.5	-26.2	177	67.9	61.4	0	0	0	112.8	T116 P192 R197 R198 A334	T116-H194 PolarHBondContact OG1-CE1 3.44Å; P192-H194 WeakPolarHBondContact CB-CD2 3.4Å; P192-H194 WeakPolarHBondContact CB-NE2 3.41Å; P192-H194 PolarHBondContact O-N 2.94Å; H194-R197 PolarHBondContact O-N 3.4Å; H194-R198 WeakPolarHBondContact O-CB 3.42Å; H194-R198 PolarHBondContact O-N 2.87Å; H194-A334 HydrophobicContact CB-CB 4.38Å
195	I	90.3	Very high	87	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-69.1	-45	-178.7	-170.1	59.6	0	0	0	111	V115 C184 L191 P192 P193 R197 R198 L199	V115-I195 HydrophobicContact CG1-CB 4.18Å; V115-I195 HydrophobicContact CG1-CD1 4.37Å; V115-I195 HydrophobicContact CG1-CG1 4.23Å; V115-I195 HydrophobicContact CG2-CD1 4.43Å; V115-I195 HydrophobicContact CG2-CG1 4.08Å; V115-I195 WeakPolarHBondContact O-CD1 3.32Å; C184-I195 HydrophobicContact CB-CG2 3.54Å; L191-I195 HydrophobicContact CB-CG2 4.28Å; L191-I195 HydrophobicContact CD1-CG2 4.11Å; P192-I195 WeakPolarHBondContact O-CG2 3.45Å; P192-I195 PolarHBondContact O-N 3.02Å; P192-I195 VanDerWaalsContact O-N 3.12Å; P193-I195 PolarHBondContact O-N 3.43Å; I195-R197 PolarHBondContact O-N 3.29Å; I195-R198 PolarHBondContact O-N 3.12Å; I195-R198 VanDerWaalsContact O-N 3.1Å; I195-L199 HydrophobicContact CD1-CG 4.32Å; I195-L199 HydrophobicContact CG1-CD1 4.1Å; I195-L199 HydrophobicContact CG1-CG 4.35Å; I195-L199 WeakPolarHBondContact O-CG 3.42Å; I195-L199 PolarHBondContact O-N 3.33Å
196	G	91.4	Very high	87.4	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-58.4	-41.8	175.5	0	0	0	0	0	110.9	C184 P193 L199 L200	C184-G196 WeakPolarHBondContact SG-CA 3.39Å; P193-G196 PolarHBondContact O-N 3.18Å; G196-L199 PolarHBondContact O-N 2.91Å; G196-L200 VanDerWaalsContact O-CB 3.28Å; G196-L200 WeakPolarHBondContact O-CB 3.44Å; G196-L200 VanDerWaalsContact O-CG 3.22Å; G196-L200 WeakPolarHBondContact O-CG 3.28Å; G196-L200 PolarHBondContact O-N 3.22Å
197	R	90.7	Very high	87.9	Confident	50 Å²	50	38.1 Å²	38.1	19%	0.189	22%	0.219	C	C	.	.	H	α-helix	trans	-62.2	-45.8	175.4	-167.8	-178.2	170.6	-81.5	-5	111.7	P193 H194 I195 L200 Y201 L273 L331 E333	P193-R197 PolarHBondContact O-N 3.27Å; H194-R197 PolarHBondContact O-N 3.4Å; I195-R197 PolarHBondContact O-N 3.29Å; R197-L200 PolarHBondContact O-N 3.2Å; R197-Y201 HydrophobicContact CB-CD2 4.21Å; R197-Y201 HydrophobicContact CB-CE2 4.47Å; R197-Y201 HydrophobicContact CG-CD2 3.46Å; R197-Y201 VanDerWaalsContact CG-CD2 3.46Å; R197-Y201 HydrophobicContact CG-CE2 3.87Å; R197-Y201 VanDerWaalsContact O-CD2 3.3Å; R197-Y201 WeakPolarHBondContact O-CD2 3.45Å; R197-Y201 PolarHBondContact O-N 3.48Å; R197-L273 HydrophobicContact CB-CD1 4.38Å; R197-L273 HydrophobicContact CB-CD2 4.13Å; R197-L273 HydrophobicContact CG-CD2 4.45Å; R197-L331 VanDerWaalsContact NH2-CD1 3.31Å; R197-E333 IonicContact CZ-OE1 2.64Å; R197-E333 VanDerWaalsContact NH1-CD 3.29Å; R197-E333 IonicContact NH1-OE1 2.86Å; R197-E333 PolarHBondContact NH1-OE1 3.46Å; R197-E333 IonicContact NH2-OE1 2.99Å; R197-E333 PolarHBondContact NH2-OE1 3.48Å
198	R	93.2	Very high	88.9	Confident	29 Å²	29	35.1 Å²	35.1	11%	0.109	20%	0.196	C	C	.	.	I	π-helix	trans	-62.2	-43.7	179.7	-168.5	171.1	-175.8	92.5	6.4	111.9	D120 H194 I195 T202 H203 A334	D120-R198 VanDerWaalsContact CG-NH2 3.27Å; D120-R198 IonicContact OD1-CZ 3.64Å; D120-R198 VanDerWaalsContact OD1-CZ 3.25Å; D120-R198 IonicContact OD1-NE 3.44Å; D120-R198 PolarHBondContact OD1-NE 2.91Å; D120-R198 IonicContact OD1-NH2 2.89Å; D120-R198 PolarHBondContact OD1-NH2 3.47Å; D120-R198 IonicContact OD2-CZ 3.45Å; D120-R198 IonicContact OD2-NE 3.39Å; D120-R198 IonicContact OD2-NH2 2.67Å; D120-R198 PolarHBondContact OD2-NH2 3.28Å; H194-R198 WeakPolarHBondContact O-CB 3.42Å; H194-R198 PolarHBondContact O-N 2.87Å; I195-R198 PolarHBondContact O-N 3.12Å; I195-R198 VanDerWaalsContact O-N 3.1Å; R198-T202 VanDerWaalsContact O-CB 3.27Å; R198-T202 WeakPolarHBondContact O-CB 2.97Å; R198-T202 PolarHBondContact O-N 3.42Å; R198-H203 PolarHBondContact O-N 2.6Å; R198-A334 PolarHBondContact NH1-O 3.06Å
199	L	95.4	Very high	89.9	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.158	C	C	.	.	I	π-helix	trans	-69.7	-39.7	177.4	-62.6	175	0	0	0	112.5	L180 F181 I195 G196 D204 I205	L180-L199 HydrophobicContact CB-CD1 3.97Å; L180-L199 HydrophobicContact CD1-CD1 4.34Å; F181-L199 HydrophobicContact CD1-CD1 4.5Å; F181-L199 HydrophobicContact CE1-CB 3.65Å; F181-L199 HydrophobicContact CE1-CD1 4.26Å; F181-L199 HydrophobicContact CE2-CB 4.28Å; F181-L199 HydrophobicContact CZ-CB 3.48Å; F181-L199 VanDerWaalsContact CZ-CB 3.48Å; F181-L199 HydrophobicContact CZ-CD1 4.31Å; F181-L199 HydrophobicContact CZ-CG 4.49Å; I195-L199 HydrophobicContact CD1-CG 4.32Å; I195-L199 HydrophobicContact CG1-CD1 4.1Å; I195-L199 HydrophobicContact CG1-CG 4.35Å; I195-L199 WeakPolarHBondContact O-CG 3.42Å; I195-L199 PolarHBondContact O-N 3.33Å; G196-L199 PolarHBondContact O-N 2.91Å; L199-D204 PolarHBondContact O-N 3.33Å; L199-I205 HydrophobicContact CB-CG1 4.14Å; L199-I205 HydrophobicContact CD2-CG1 4.02Å; L199-I205 WeakPolarHBondContact O-CB 3.43Å; L199-I205 VanDerWaalsContact O-CG1 3.29Å; L199-I205 WeakPolarHBondContact O-CG1 3.47Å; L199-I205 PolarHBondContact O-N 2.94Å
200	L	94.1	Very high	91.2	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.148	C	C	.	.	I	π-helix	trans	-76.5	-43	-178.6	-71.5	177.7	0	0	0	113.9	F181 L185 G196 R197 P206 I265 L273 Y275	F181-L200 HydrophobicContact CD1-CD2 4.48Å; F181-L200 HydrophobicContact CE1-CD2 3.57Å; F181-L200 HydrophobicContact CE1-CG 3.84Å; F181-L200 HydrophobicContact CZ-CD2 4.02Å; L185-L200 HydrophobicContact CD2-CD1 4.04Å; G196-L200 VanDerWaalsContact O-CB 3.28Å; G196-L200 WeakPolarHBondContact O-CB 3.44Å; G196-L200 VanDerWaalsContact O-CG 3.22Å; G196-L200 WeakPolarHBondContact O-CG 3.28Å; G196-L200 PolarHBondContact O-N 3.22Å; R197-L200 PolarHBondContact O-N 3.2Å; L200-P206 HydrophobicContact CD2-CG 3.96Å; L200-I265 HydrophobicContact CD2-CG1 4.33Å; L200-I265 HydrophobicContact CD2-CG2 3.7Å; L200-L273 HydrophobicContact CD1-CB 3.93Å; L200-Y275 HydrophobicContact CD2-CD2 4.22Å
201	Y	92.1	Very high	92.4	Very high	79 Å²	79	28.2 Å²	28.2	31%	0.31	14%	0.142	S	C	.	.	I	π-helix	trans	-114	-37.7	-168.2	-50.8	-75.2	0	0	0	113.8	R197 L273 K274	R197-Y201 HydrophobicContact CB-CD2 4.21Å; R197-Y201 HydrophobicContact CB-CE2 4.47Å; R197-Y201 HydrophobicContact CG-CD2 3.46Å; R197-Y201 VanDerWaalsContact CG-CD2 3.46Å; R197-Y201 HydrophobicContact CG-CE2 3.87Å; R197-Y201 VanDerWaalsContact O-CD2 3.3Å; R197-Y201 WeakPolarHBondContact O-CD2 3.45Å; R197-Y201 PolarHBondContact O-N 3.48Å; Y201-L273 HydrophobicContact CE2-CD2 4.19Å; Y201-K274 PolarHBondContact OH-N 3.02Å; Y201-K274 PolarHBondContact OH-O 3.07Å
202	T	92.9	Very high	93.2	Very high	60 Å²	60	27.7 Å²	27.7	37%	0.368	14%	0.139	S	C	.	.	I	π-helix	trans	-75.4	-47.2	-179.9	-50.8	0	0	0	0	110.8	R198	R198-T202 VanDerWaalsContact O-CB 3.27Å; R198-T202 WeakPolarHBondContact O-CB 2.97Å; R198-T202 PolarHBondContact O-N 3.42Å
203	H	95.5	Very high	94.2	Very high	24 Å²	24	26.2 Å²	26.2	11%	0.111	13%	0.13	C	C	.	.	S	Bend	trans	-98.3	-13.9	-177.8	-65.9	-39	0	0	0	114.4	D120 H123 R198 I205	D120-H203 IonicContact OD1-CD2 3.87Å; D120-H203 IonicContact OD1-CE1 3.89Å; D120-H203 PolarHBondContact OD1-CE1 3.29Å; D120-H203 IonicContact OD1-NE2 3.48Å; D120-H203 PolarHBondContact OD1-NE2 2.92Å; H123-H203 HydrophobicContact CB-CB 4.13Å; H123-H203 AromaticContact CD2-CG 3.87Å; H123-H203 AromaticContact CD2-ND1 3.93Å; H123-H203 AromaticContact CE1-ND1 3.56Å; H123-H203 AromaticContact CG-CG 3.53Å; H123-H203 AromaticContact CG-ND1 3.5Å; H123-H203 AromaticContact ND1-CE1 3.64Å; H123-H203 AromaticContact ND1-CG 3.82Å; H123-H203 AromaticContact ND1-ND1 3.26Å; H123-H203 PolarHBondContact ND1-ND1 3.3Å; H123-H203 AromaticContact NE2-ND1 3.98Å; R198-H203 PolarHBondContact O-N 2.6Å; H203-I205 HydrophobicContact CB-CD1 3.89Å; H203-I205 HydrophobicContact CB-CG1 3.95Å; H203-I205 PolarHBondContact O-N 3.22Å
204	D	96.3	Very high	95.2	Very high	24 Å²	24	25 Å²	25	13%	0.128	12%	0.116	C	C	.	.			trans	46.9	46.6	-176.9	-148	-26.6	0	0	0	113.1	L199 P206 I207 Y275 R282	L199-D204 PolarHBondContact O-N 3.33Å; D204-P206 VanDerWaalsContact C-N 3.25Å; D204-I207 HydrophobicContact CB-CD1 4.25Å; D204-I207 PolarHBondContact O-N 2.78Å; D204-I207 VanDerWaalsContact O-N 3.1Å; D204-I207 WeakPolarHBondContact OD1-CG1 3.41Å; D204-I207 VanDerWaalsContact OD2-CD1 3.31Å; D204-I207 WeakPolarHBondContact OD2-CD1 3.49Å; D204-Y275 WeakPolarHBondContact OD1-CE2 3.37Å; D204-Y275 PolarHBondContact OD1-OH 3.2Å; D204-R282 IonicContact OD1-NE 3.54Å; D204-R282 IonicContact OD2-CZ 3.12Å; D204-R282 VanDerWaalsContact OD2-CZ 3.26Å; D204-R282 IonicContact OD2-NE 2.72Å; D204-R282 PolarHBondContact OD2-NE 2.93Å; D204-R282 IonicContact OD2-NH2 2.66Å; D204-R282 PolarHBondContact OD2-NH2 3.31Å
205	I	98.2	Very high	95.7	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-51.8	-37.8	-179	-61.7	-65.8	0	0	0	112.7	H123 L126 V177 F181 L199 H203 I207 I208 L209	H123-I205 HydrophobicContact CB-CD1 3.96Å; L126-I205 HydrophobicContact CD1-CD1 4.29Å; L126-I205 HydrophobicContact CD1-CG2 4.35Å; V177-I205 HydrophobicContact CG1-CG2 3.61Å; F181-I205 HydrophobicContact CE2-CB 4.04Å; F181-I205 HydrophobicContact CE2-CG2 3.7Å; F181-I205 HydrophobicContact CZ-CB 4.04Å; F181-I205 HydrophobicContact CZ-CG2 4.23Å; L199-I205 HydrophobicContact CB-CG1 4.14Å; L199-I205 HydrophobicContact CD2-CG1 4.02Å; L199-I205 WeakPolarHBondContact O-CB 3.43Å; L199-I205 VanDerWaalsContact O-CG1 3.29Å; L199-I205 WeakPolarHBondContact O-CG1 3.47Å; L199-I205 PolarHBondContact O-N 2.94Å; H203-I205 HydrophobicContact CB-CD1 3.89Å; H203-I205 HydrophobicContact CB-CG1 3.95Å; H203-I205 PolarHBondContact O-N 3.22Å; I205-I207 VanDerWaalsContact C-N 3.25Å; I205-I207 PolarHBondContact O-N 3.01Å; I205-I208 HydrophobicContact CD1-CD1 4.16Å; I205-I208 WeakPolarHBondContact O-CA 3.31Å; I205-I208 WeakPolarHBondContact O-CB 3.47Å; I205-I208 PolarHBondContact O-N 3.47Å; I205-L209 HydrophobicContact CG2-CD1 4.08Å; I205-L209 HydrophobicContact CG2-CD2 4.34Å; I205-L209 HydrophobicContact CG2-CG 3.9Å; I205-L209 WeakPolarHBondContact O-CG 3.37Å; I205-L209 PolarHBondContact O-N 3.08Å
206	P	98	Very high	96	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.006	12%	0.123	C	C	.	.	H	α-helix	trans	-55.4	-36.6	178.7	-25.5	35	0	0	0	113.8	L200 D204 L209 C210 L262 I265 Y275	L200-P206 HydrophobicContact CD2-CG 3.96Å; D204-P206 VanDerWaalsContact C-N 3.25Å; P206-L209 WeakPolarHBondContact O-CB 3.4Å; P206-L209 PolarHBondContact O-N 2.91Å; P206-C210 PolarHBondContact O-N 3.23Å; P206-C210 PolarHBondContact O-SG 3.5Å; P206-L262 HydrophobicContact CB-CD2 4.35Å; P206-I265 HydrophobicContact CG-CD1 4.17Å; P206-I265 HydrophobicContact CG-CG2 4.32Å; P206-Y275 HydrophobicContact CB-CE1 3.93Å; P206-Y275 HydrophobicContact CB-CE2 3.96Å; P206-Y275 HydrophobicContact CG-CD2 3.91Å; P206-Y275 HydrophobicContact CG-CE1 4.34Å; P206-Y275 HydrophobicContact CG-CE2 3.65Å; P206-Y275 HydrophobicContact CG-CG 4.36Å
207	I	97.8	Very high	96.3	Very high	47 Å²	47	26.7 Å²	26.7	24%	0.241	12%	0.123	C	C	.	.	H	α-helix	trans	-66.2	-42.4	174.8	-65.1	173.8	0	0	0	111.2	D204 I205 L209 C210 K211 H281 R282	D204-I207 HydrophobicContact CB-CD1 4.25Å; D204-I207 PolarHBondContact O-N 2.78Å; D204-I207 VanDerWaalsContact O-N 3.1Å; D204-I207 WeakPolarHBondContact OD1-CG1 3.41Å; D204-I207 VanDerWaalsContact OD2-CD1 3.31Å; D204-I207 WeakPolarHBondContact OD2-CD1 3.49Å; I205-I207 VanDerWaalsContact C-N 3.25Å; I205-I207 PolarHBondContact O-N 3.01Å; I207-L209 VanDerWaalsContact C-N 3.28Å; I207-L209 PolarHBondContact O-N 3.33Å; I207-C210 WeakPolarHBondContact O-CB 3.49Å; I207-C210 PolarHBondContact O-N 3.12Å; I207-K211 PolarHBondContact O-N 3.31Å; I207-H281 VanDerWaalsContact CD1-CD2 3.47Å; I207-H281 WeakPolarHBondContact CD1-CD2 3.41Å; I207-R282 HydrophobicContact CD1-CG 4Å; I207-R282 HydrophobicContact CG1-CG 4.35Å
208	I	98.6	Very high	96.5	Very high	22 Å²	22	24.3 Å²	24.3	11%	0.113	11%	0.114	C	C	.	.	H	α-helix	trans	-60.6	-43.3	178.3	-62.1	174.4	0	0	0	109.5	L126 V130 I205 K211 L212	L126-I208 HydrophobicContact CB-CG2 3.68Å; L126-I208 HydrophobicContact CD1-CG2 4.4Å; V130-I208 HydrophobicContact CG2-CG2 3.89Å; I205-I208 HydrophobicContact CD1-CD1 4.16Å; I205-I208 WeakPolarHBondContact O-CA 3.31Å; I205-I208 WeakPolarHBondContact O-CB 3.47Å; I205-I208 PolarHBondContact O-N 3.47Å; I208-K211 PolarHBondContact O-N 3.22Å; I208-L212 HydrophobicContact CG2-CD1 4.16Å; I208-L212 VanDerWaalsContact O-CG 3.3Å; I208-L212 WeakPolarHBondContact O-CG 3.21Å; I208-L212 PolarHBondContact O-N 3.3Å
209	L	98.7	Very high	96.6	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-60.8	-45.5	174.4	-66.1	-176.5	0	0	0	112.4	I205 P206 I207 K211 L212 L213 I258 C261 L262 I265	I205-L209 HydrophobicContact CG2-CD1 4.08Å; I205-L209 HydrophobicContact CG2-CD2 4.34Å; I205-L209 HydrophobicContact CG2-CG 3.9Å; I205-L209 WeakPolarHBondContact O-CG 3.37Å; I205-L209 PolarHBondContact O-N 3.08Å; P206-L209 WeakPolarHBondContact O-CB 3.4Å; P206-L209 PolarHBondContact O-N 2.91Å; I207-L209 VanDerWaalsContact C-N 3.28Å; I207-L209 PolarHBondContact O-N 3.33Å; L209-K211 VanDerWaalsContact C-N 3.29Å; L209-K211 PolarHBondContact O-N 3.38Å; L209-L212 PolarHBondContact O-N 3Å; L209-L213 PolarHBondContact O-N 3.36Å; L209-I258 HydrophobicContact CB-CG2 3.73Å; L209-I258 HydrophobicContact CD2-CG1 4.15Å; L209-I258 HydrophobicContact CD2-CG2 4.23Å; L209-I258 HydrophobicContact CG-CG2 4.36Å; L209-C261 HydrophobicContact CD1-CB 4.15Å; L209-C261 VanDerWaalsContact CD1-SG 3.54Å; L209-L262 HydrophobicContact CB-CD2 4.24Å; L209-L262 HydrophobicContact CD1-CD2 4.27Å; L209-I265 HydrophobicContact CD1-CD1 4.34Å
210	C	98.5	Very high	96.5	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.007	11%	0.113	C	C	.	.	H	α-helix	trans	-56.7	-45.2	173.9	-66.2	0	0	0	0	111.3	P206 I207 L212 L213 E214 A285 L289	P206-C210 PolarHBondContact O-N 3.23Å; P206-C210 PolarHBondContact O-SG 3.5Å; I207-C210 WeakPolarHBondContact O-CB 3.49Å; I207-C210 PolarHBondContact O-N 3.12Å; C210-L212 VanDerWaalsContact C-N 3.35Å; C210-L212 PolarHBondContact O-N 3.04Å; C210-L213 WeakPolarHBondContact O-CB 3.45Å; C210-L213 PolarHBondContact O-N 3.26Å; C210-E214 PolarHBondContact O-N 3.07Å; C210-A285 HydrophobicContact CB-CB 4.18Å; C210-L289 HydrophobicContact CB-CD1 4.38Å; C210-L289 HydrophobicContact CB-CD2 4.21Å; C210-L289 HydrophobicContact CB-CG 4.47Å
211	K	98.2	Very high	96.3	Very high	76 Å²	76	26.2 Å²	26.2	33%	0.33	13%	0.126	S	C	.	.	H	α-helix	trans	-64.9	-38.7	-179.3	-175.2	55.1	176.7	168.2	0	112.1	V130 I207 I208 L209 E214 Q215	V130-K211 HydrophobicContact CG1-CG 3.73Å; V130-K211 HydrophobicContact CG2-CG 4.3Å; I207-K211 PolarHBondContact O-N 3.31Å; I208-K211 PolarHBondContact O-N 3.22Å; L209-K211 VanDerWaalsContact C-N 3.29Å; L209-K211 PolarHBondContact O-N 3.38Å; K211-E214 WeakPolarHBondContact O-CB 3.4Å; K211-E214 PolarHBondContact O-N 3.28Å; K211-Q215 HydrophobicContact CD-CG 4.29Å; K211-Q215 WeakPolarHBondContact O-CG 2.97Å; K211-Q215 PolarHBondContact O-N 3.04Å
212	L	98.6	Very high	96	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-65.4	-36	175.4	-69.8	168.1	0	0	0	112.3	L126 L129 V130 I174 I208 L209 C210 E214 Q215 K216 P217 W218 I258	L126-L212 HydrophobicContact CD2-CD1 3.84Å; L129-L212 HydrophobicContact CB-CD2 4.32Å; L129-L212 HydrophobicContact CD2-CD2 3.73Å; L129-L212 HydrophobicContact CG-CD2 3.87Å; V130-L212 HydrophobicContact CG2-CD1 4.48Å; V130-L212 HydrophobicContact CG2-CD2 3.58Å; V130-L212 HydrophobicContact CG2-CG 3.73Å; I174-L212 HydrophobicContact CD1-CD1 4.44Å; I174-L212 HydrophobicContact CG1-CD1 4.3Å; I208-L212 HydrophobicContact CG2-CD1 4.16Å; I208-L212 VanDerWaalsContact O-CG 3.3Å; I208-L212 WeakPolarHBondContact O-CG 3.21Å; I208-L212 PolarHBondContact O-N 3.3Å; L209-L212 PolarHBondContact O-N 3Å; C210-L212 VanDerWaalsContact C-N 3.35Å; C210-L212 PolarHBondContact O-N 3.04Å; L212-E214 VanDerWaalsContact C-N 3.32Å; L212-E214 PolarHBondContact O-N 3.12Å; L212-Q215 PolarHBondContact O-N 3.46Å; L212-K216 WeakPolarHBondContact O-CA 3.44Å; L212-K216 PolarHBondContact O-N 2.94Å; L212-P217 HydrophobicContact CD2-CG 3.86Å; L212-P217 WeakPolarHBondContact O-CD 3.28Å; L212-W218 HydrophobicContact CB-CH2 4.47Å; L212-W218 HydrophobicContact CB-CZ3 4.39Å; L212-W218 WeakPolarHBondContact O-CH2 3.43Å; L212-I258 HydrophobicContact CB-CD1 3.95Å
213	L	98.1	Very high	95.4	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-65.3	-33.6	173	-75.8	172.7	0	0	0	112.9	L209 C210 K216 W218 E255 I258 W259 L262 L289 L292	L209-L213 PolarHBondContact O-N 3.36Å; C210-L213 WeakPolarHBondContact O-CB 3.45Å; C210-L213 PolarHBondContact O-N 3.26Å; L213-K216 VanDerWaalsContact O-CG 3.28Å; L213-K216 WeakPolarHBondContact O-CG 3.09Å; L213-W218 HydrophobicContact CD2-CH2 4.42Å; L213-W218 HydrophobicContact CD2-CZ2 4.39Å; L213-E255 HydrophobicContact CD2-CG 3.87Å; L213-I258 HydrophobicContact CD1-CG2 3.69Å; L213-I258 HydrophobicContact CD2-CB 4.14Å; L213-I258 HydrophobicContact CD2-CD1 4.39Å; L213-I258 HydrophobicContact CD2-CG2 4.07Å; L213-I258 HydrophobicContact CG-CB 4.24Å; L213-I258 HydrophobicContact CG-CD1 4.44Å; L213-I258 HydrophobicContact CG-CG2 3.63Å; L213-W259 HydrophobicContact CD1-CD2 3.92Å; L213-W259 HydrophobicContact CD1-CE3 3.82Å; L213-W259 HydrophobicContact CD1-CH2 3.68Å; L213-W259 HydrophobicContact CD1-CZ2 3.76Å; L213-W259 HydrophobicContact CD1-CZ3 3.7Å; L213-W259 HydrophobicContact CD2-CD2 4.21Å; L213-W259 HydrophobicContact CD2-CZ2 3.97Å; L213-W259 HydrophobicContact CG-CZ2 4.41Å; L213-L262 HydrophobicContact CD1-CD1 3.72Å; L213-L289 HydrophobicContact CB-CD2 3.94Å; L213-L289 HydrophobicContact CD1-CD1 4.02Å; L213-L289 HydrophobicContact CD1-CD2 3.82Å; L213-L292 HydrophobicContact CB-CD1 4.09Å
214	E	96.8	Very high	94.1	Very high	72 Å²	72	27 Å²	27	34%	0.336	13%	0.125	S	C	.	.	H	α-helix	trans	-68.8	-44.3	172.7	-67.4	178.7	-96.8	0	0	111.4	C210 K211 L212 K288	C210-E214 PolarHBondContact O-N 3.07Å; K211-E214 WeakPolarHBondContact O-CB 3.4Å; K211-E214 PolarHBondContact O-N 3.28Å; L212-E214 VanDerWaalsContact C-N 3.32Å; L212-E214 PolarHBondContact O-N 3.12Å; E214-K288 IonicContact OE2-NZ 3.85Å; E214-K288 PolarHBondContact OE2-NZ 2.65Å
215	Q	97	Very high	92.7	Very high	16 Å²	16	35 Å²	35	8%	0.075	16%	0.161	C	C	.	.	H	α-helix	trans	-81.9	-29.2	-172.8	-70.4	175.6	-46.2	0	0	114.3	V130 S133 K139 K211 L212	V130-Q215 PolarHBondContact O-NE2 3.18Å; V130-Q215 PolarHBondContact O-OE1 3.21Å; S133-Q215 WeakPolarHBondContact O-CB 2.98Å; S133-Q215 WeakPolarHBondContact O-CG 3.47Å; S133-Q215 PolarHBondContact O-NE2 3.35Å; K139-Q215 PolarHBondContact NZ-O 2.81Å; K211-Q215 HydrophobicContact CD-CG 4.29Å; K211-Q215 WeakPolarHBondContact O-CG 2.97Å; K211-Q215 PolarHBondContact O-N 3.04Å; L212-Q215 PolarHBondContact O-N 3.46Å
216	K	96.4	Very high	91.3	Very high	59 Å²	59	38.9 Å²	38.9	26%	0.257	19%	0.189	S	C	.	.			trans	46.2	65.5	-177	-55.9	-173.7	-174.4	176.9	0	112.8	L212 L213 W218 I219	L212-K216 WeakPolarHBondContact O-CA 3.44Å; L212-K216 PolarHBondContact O-N 2.94Å; L213-K216 VanDerWaalsContact O-CG 3.28Å; L213-K216 WeakPolarHBondContact O-CG 3.09Å; K216-W218 HydrophobicContact CB-CZ2 4.26Å; K216-W218 HydrophobicContact CG-CZ2 4.18Å; K216-W218 PolarHBondContact O-N 3.39Å; K216-I219 HydrophobicContact CB-CB 4.33Å; K216-I219 HydrophobicContact CB-CD1 4.21Å; K216-I219 HydrophobicContact CB-CG1 4.27Å; K216-I219 HydrophobicContact CD-CD1 3.78Å; K216-I219 PolarHBondContact O-N 3.4Å
217	P	96.7	Very high	89.9	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-20.1	180	21	-32.2	0	0	0	114.3	L129 S133 Y167 I171 L212 I219 W241	L129-P217 HydrophobicContact CD1-CB 3.76Å; L129-P217 HydrophobicContact CD1-CG 4.26Å; L129-P217 HydrophobicContact CD2-CB 4.2Å; L129-P217 HydrophobicContact CD2-CG 3.77Å; L129-P217 HydrophobicContact CG-CB 3.96Å; L129-P217 HydrophobicContact CG-CG 3.95Å; S133-P217 WeakPolarHBondContact OG-CB 2.98Å; Y167-P217 HydrophobicContact CE1-CB 4.48Å; Y167-P217 VanDerWaalsContact OH-CA 3.3Å; Y167-P217 WeakPolarHBondContact OH-CA 3.45Å; Y167-P217 VanDerWaalsContact OH-CB 3.24Å; Y167-P217 WeakPolarHBondContact OH-CB 3.06Å; Y167-P217 PolarHBondContact OH-O 2.89Å; I171-P217 HydrophobicContact CD1-CB 4.21Å; I171-P217 HydrophobicContact CD1-CG 4.22Å; L212-P217 HydrophobicContact CD2-CG 3.86Å; L212-P217 WeakPolarHBondContact O-CD 3.28Å; P217-I219 PolarHBondContact O-N 3.23Å; P217-W241 WeakPolarHBondContact O-CH2 3.21Å
218	W	96	Very high	88.6	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	5.6	175.1	52.2	85.9	0	0	0	113.8	I174 L212 L213 K216 I234 W235 H252 P254 E255 I258	I174-W218 HydrophobicContact CD1-CE3 4.25Å; I174-W218 HydrophobicContact CD1-CZ3 3.97Å; L212-W218 HydrophobicContact CB-CH2 4.47Å; L212-W218 HydrophobicContact CB-CZ3 4.39Å; L212-W218 WeakPolarHBondContact O-CH2 3.43Å; L213-W218 HydrophobicContact CD2-CH2 4.42Å; L213-W218 HydrophobicContact CD2-CZ2 4.39Å; K216-W218 HydrophobicContact CB-CZ2 4.26Å; K216-W218 HydrophobicContact CG-CZ2 4.18Å; K216-W218 PolarHBondContact O-N 3.39Å; W218-I234 WeakPolarHBondContact O-CA 3.02Å; W218-W235 HydrophobicContact CB-CB 3.71Å; W218-W235 PolarHBondContact O-N 3.12Å; W218-H252 AromaticContact CD1-CG 3.9Å; W218-H252 AromaticContact CD1-ND1 3.85Å; W218-H252 AromaticContact NE1-ND1 3.85Å; W218-P254 HydrophobicContact CB-CB 4.33Å; W218-P254 HydrophobicContact CB-CG 3.97Å; W218-P254 HydrophobicContact CD2-CB 3.76Å; W218-P254 HydrophobicContact CD2-CG 4.35Å; W218-P254 HydrophobicContact CE3-CB 3.52Å; W218-P254 HydrophobicContact CE3-CG 4.39Å; W218-P254 HydrophobicContact CG-CB 4.09Å; W218-P254 HydrophobicContact CG-CG 4.16Å; W218-P254 HydrophobicContact CZ3-CB 4.16Å; W218-E255 HydrophobicContact CZ2-CB 3.62Å; W218-E255 HydrophobicContact CZ2-CG 4.06Å; W218-I258 HydrophobicContact CH2-CD1 3.28Å; W218-I258 HydrophobicContact CZ2-CD1 4.37Å; W218-I258 HydrophobicContact CZ3-CD1 3.46Å; W218-I258 VanDerWaalsContact CZ3-CD1 3.46Å
219	I	94.9	Very high	87.7	Confident	17 Å²	17	54 Å²	54	9%	0.087	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	125.1	175.3	-54.9	-178.4	0	0	0	109.2	K139 K216 P217 Q232 H233	K139-I219 PolarHBondContact NZ-O 2.86Å; K216-I219 HydrophobicContact CB-CB 4.33Å; K216-I219 HydrophobicContact CB-CD1 4.21Å; K216-I219 HydrophobicContact CB-CG1 4.27Å; K216-I219 HydrophobicContact CD-CD1 3.78Å; K216-I219 PolarHBondContact O-N 3.4Å; P217-I219 PolarHBondContact O-N 3.23Å; I219-Q232 VanDerWaalsContact CG2-CD 3.48Å; I219-Q232 HydrophobicContact CG2-CG 3.52Å; I219-H233 WeakPolarHBondContact CA-O 3.3Å
220	I	93.7	Very high	86.9	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	140.7	-179.4	-54.2	-173.1	0	0	0	110.5	E136 K139 F143 Q232 H233 W241	E136-I220 WeakPolarHBondContact OE1-CA 3.31Å; K139-I220 HydrophobicContact CB-CD1 4.08Å; K139-I220 HydrophobicContact CB-CG1 4Å; K139-I220 HydrophobicContact CB-CG2 4.32Å; K139-I220 WeakPolarHBondContact O-CD1 3.33Å; F143-I220 HydrophobicContact CB-CD1 4.15Å; F143-I220 HydrophobicContact CB-CG2 3.84Å; F143-I220 HydrophobicContact CG-CG2 4.37Å; I220-Q232 CarbonylContact O-C 3.52Å; I220-H233 PolarHBondContact N-O 2.74Å; I220-H233 PolarHBondContact O-N 3.04Å; I220-W241 HydrophobicContact CB-CZ3 4.33Å; I220-W241 HydrophobicContact CD1-CD2 4.38Å; I220-W241 HydrophobicContact CD1-CE3 4.34Å; I220-W241 HydrophobicContact CD1-CH2 3.21Å; I220-W241 HydrophobicContact CD1-CZ2 3.2Å; I220-W241 HydrophobicContact CD1-CZ3 3.79Å; I220-W241 HydrophobicContact CG1-CE3 4.36Å; I220-W241 HydrophobicContact CG1-CH2 3.54Å; I220-W241 HydrophobicContact CG1-CZ2 4.06Å; I220-W241 HydrophobicContact CG1-CZ3 3.68Å
221	I	89.8	Confident	86.4	Confident	51 Å²	51	65 Å²	65	26%	0.262	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	111.8	169.8	-56	174.3	0	0	0	108.3	E136 S140 R230	E136-I221 HydrophobicContact CG-CB 4.39Å; E136-I221 HydrophobicContact CG-CD1 4.31Å; E136-I221 HydrophobicContact CG-CG1 4.49Å; E136-I221 PolarHBondContact OE1-N 3.13Å; S140-I221 PolarHBondContact OG-O 2.93Å; I221-R230 HydrophobicContact CG2-CB 3.99Å
222	G	85.5	Confident	86.1	Confident	2 Å²	2	64.7 Å²	64.7	2%	0.021	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	165.7	179.1	0	0	0	0	0	112.2	R230 R231	G222-R230 WeakPolarHBondContact O-CA 3.36Å; G222-R231 PolarHBondContact N-O 2.85Å; G222-R231 PolarHBondContact O-N 3.42Å
223	Y	79.6	Confident	85.8	Confident	140 Å²	140	65.5 Å²	65.5	55%	0.549	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	129.7	171	-67.5	-89.6	0	0	0	109.9	R230	Y223-R230 HydrophobicContact CD1-CG 4.02Å; Y223-R230 HydrophobicContact CE1-CG 3.5Å; Y223-R230 VanDerWaalsContact CE1-CG 3.5Å
224	D	69.7	Low	85.5	Confident	39 Å²	39	65.9 Å²	65.9	21%	0.209	31%	0.305	C	S	.	.			trans	-75.6	128.6	171.7	-169.6	-24.3	0	0	0	109.5	S226 K228 Q229 R231	D224-S226 PolarHBondContact O-N 3.04Å; D224-S226 PolarHBondContact OD1-N 2.89Å; D224-S226 VanDerWaalsContact OD1-N 3.08Å; D224-S226 PolarHBondContact OD1-OG 3.05Å; D224-S226 PolarHBondContact OD2-OG 3.38Å; D224-K228 WeakPolarHBondContact O-CA 3.44Å; D224-K228 PolarHBondContact O-N 3.46Å; D224-Q229 PolarHBondContact N-O 2.93Å; D224-R231 IonicContact OD2-CZ 2.86Å; D224-R231 IonicContact OD2-NE 3.63Å; D224-R231 IonicContact OD2-NH1 3.57Å; D224-R231 PolarHBondContact OD2-NH1 2.79Å; D224-R231 IonicContact OD2-NH2 2.69Å
225	E	66.9	Low	85.3	Confident	190 Å²	190	63.3 Å²	63.3	89%	0.888	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-31.4	179.6	-66.6	-170.8	162	0	0	112.1
226	S	67.5	Low	85	Confident	83 Å²	83	64.7 Å²	64.7	58%	0.58	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-42.7	-174	61.3	0	0	0	0	113.8	D224	D224-S226 PolarHBondContact O-N 3.04Å; D224-S226 PolarHBondContact OD1-N 2.89Å; D224-S226 VanDerWaalsContact OD1-N 3.08Å; D224-S226 PolarHBondContact OD1-OG 3.05Å; D224-S226 PolarHBondContact OD2-OG 3.38Å
227	N	68.1	Low	84.2	Confident	101 Å²	101	65.6 Å²	65.6	54%	0.54	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.7	-2.4	-171.2	-74.7	-27.2	0	0	0	114.4	Q229	N227-Q229 HydrophobicContact CB-CG 4.19Å; N227-Q229 PolarHBondContact O-N 2.94Å
228	K	72.1	Confident	83.4	Confident	177 Å²	177	68.2 Å²	68.2	77%	0.77	32%	0.318	S	S	*	.			trans	51.8	20.6	-172.8	-61.1	-174.5	177.6	-178.5	0	114.3	D224	D224-K228 WeakPolarHBondContact O-CA 3.44Å; D224-K228 PolarHBondContact O-N 3.46Å
229	Q	79.7	Confident	82.9	Confident	110 Å²	110	68.7 Å²	68.7	51%	0.514	32%	0.323	S	S	.	.			trans	-82.9	142.6	175.6	-72.5	-175.7	-14	0	0	109.7	D224 N227 R231	D224-Q229 PolarHBondContact N-O 2.93Å; N227-Q229 HydrophobicContact CB-CG 4.19Å; N227-Q229 PolarHBondContact O-N 2.94Å; Q229-R231 PolarHBondContact O-N 2.91Å
230	R	81.7	Confident	82.6	Confident	152 Å²	152	70 Å²	70	57%	0.574	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.6	123.7	171.2	-65.6	-177.4	75.7	-170.7	3.8	108.5	I221 G222 Y223	I221-R230 HydrophobicContact CG2-CB 3.99Å; G222-R230 WeakPolarHBondContact O-CA 3.36Å; Y223-R230 HydrophobicContact CD1-CG 4.02Å; Y223-R230 HydrophobicContact CE1-CG 3.5Å; Y223-R230 VanDerWaalsContact CE1-CG 3.5Å
231	R	88.2	Confident	82.4	Confident	79 Å²	79	71.1 Å²	71.1	30%	0.298	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	145.7	176.3	-68.1	-171.4	179.3	163.8	5.4	110.7	G222 D224 Q229 H233	G222-R231 PolarHBondContact N-O 2.85Å; G222-R231 PolarHBondContact O-N 3.42Å; D224-R231 IonicContact OD2-CZ 2.86Å; D224-R231 IonicContact OD2-NE 3.63Å; D224-R231 IonicContact OD2-NH1 3.57Å; D224-R231 PolarHBondContact OD2-NH1 2.79Å; D224-R231 IonicContact OD2-NH2 2.69Å; Q229-R231 PolarHBondContact O-N 2.91Å; R231-H233 PolarHBondContact O-ND1 3.29Å
232	Q	90.9	Very high	82.4	Confident	71 Å²	71	68.9 Å²	68.9	33%	0.332	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	134	173.2	-172	173.2	-61.8	0	0	109.5	I219 I220 D244	I219-Q232 VanDerWaalsContact CG2-CD 3.48Å; I219-Q232 HydrophobicContact CG2-CG 3.52Å; I220-Q232 CarbonylContact O-C 3.52Å; Q232-D244 HydrophobicContact CB-CB 3.95Å; Q232-D244 HydrophobicContact CG-CB 4.13Å; Q232-D244 PolarHBondContact NE2-OD2 3.04Å; Q232-D244 WeakPolarHBondContact O-CB 3.37Å; Q232-D244 PolarHBondContact O-N 3.1Å
233	H	92.3	Very high	82.6	Confident	16 Å²	16	70 Å²	70	7%	0.074	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	142.3	175	-63.7	77.1	0	0	0	109	F143 I219 I220 R231 W241 I242	F143-H233 HydrophobicContact CD2-CB 4.41Å; F143-H233 HydrophobicContact CE2-CB 3.94Å; F143-H233 AromaticContact CE2-CD2 3.58Å; F143-H233 AromaticContact CE2-CG 3.54Å; F143-H233 AromaticContact CE2-ND1 3.91Å; F143-H233 AromaticContact CE2-NE2 3.97Å; F143-H233 AromaticContact CZ-CD2 3.77Å; F143-H233 AromaticContact CZ-CE1 3.68Å; F143-H233 AromaticContact CZ-CG 3.9Å; F143-H233 AromaticContact CZ-ND1 3.85Å; F143-H233 AromaticContact CZ-NE2 3.63Å; I219-H233 WeakPolarHBondContact CA-O 3.3Å; I220-H233 PolarHBondContact N-O 2.74Å; I220-H233 PolarHBondContact O-N 3.04Å; R231-H233 PolarHBondContact O-ND1 3.29Å; H233-W241 HydrophobicContact CB-CB 4.28Å; H233-W241 HydrophobicContact CB-CE3 4.31Å; H233-I242 CarbonylContact C-O 3.47Å; H233-I242 VanDerWaalsContact CA-O 3.28Å; H233-I242 WeakPolarHBondContact CA-O 3.15Å
234	I	93.1	Very high	82.9	Confident	9 Å²	9	66 Å²	66	5%	0.046	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	141.8	-177.9	-69.8	162.6	0	0	0	109.4	W218 H236 W241 I242 D244 T247 H252	W218-I234 WeakPolarHBondContact O-CA 3.02Å; I234-H236 PolarHBondContact O-N 2.95Å; I234-W241 WeakPolarHBondContact O-CA 3.43Å; I234-I242 PolarHBondContact N-O 3.32Å; I234-I242 PolarHBondContact O-N 3.19Å; I234-D244 HydrophobicContact CD1-CB 3.81Å; I234-D244 WeakPolarHBondContact CD1-OD1 3.28Å; I234-D244 HydrophobicContact CG1-CB 4.36Å; I234-T247 WeakPolarHBondContact CD1-OG1 3.5Å; I234-H252 VanDerWaalsContact CD1-CD2 3.43Å; I234-H252 WeakPolarHBondContact CD1-CD2 3.4Å; I234-H252 WeakPolarHBondContact CD1-NE2 3.47Å; I234-H252 HydrophobicContact CG2-CB 4.47Å; I234-H252 VanDerWaalsContact CG2-CD2 3.45Å; I234-H252 WeakPolarHBondContact CG2-CD2 3.48Å
235	W	92.5	Very high	83.4	Confident	17 Å²	17	69.8 Å²	69.8	6%	0.064	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	120.7	173.2	-172.6	-101.1	0	0	0	111.2	E168 W218 G239 W241	E168-W235 HydrophobicContact CB-CZ2 4.33Å; E168-W235 HydrophobicContact CG-CH2 3.4Å; E168-W235 VanDerWaalsContact CG-CH2 3.4Å; E168-W235 HydrophobicContact CG-CZ2 3.63Å; E168-W235 HydrophobicContact CG-CZ3 4.45Å; W218-W235 HydrophobicContact CB-CB 3.71Å; W218-W235 PolarHBondContact O-N 3.12Å; W235-G239 VanDerWaalsContact CH2-C 3.46Å; W235-G239 VanDerWaalsContact CH2-O 3.26Å; W235-G239 WeakPolarHBondContact CH2-O 3.48Å; W235-G239 VanDerWaalsContact CZ2-CA 3.44Å; W235-W241 HydrophobicContact CB-CE3 4.24Å; W235-W241 HydrophobicContact CB-CH2 3.97Å; W235-W241 HydrophobicContact CB-CZ3 3.71Å; W235-W241 HydrophobicContact CD2-CH2 4.38Å; W235-W241 HydrophobicContact CD2-CZ2 4.37Å; W235-W241 AromaticContact CE3-CD2 3.71Å; W235-W241 HydrophobicContact CE3-CD2 3.71Å; W235-W241 AromaticContact CE3-CE2 3.37Å; W235-W241 HydrophobicContact CE3-CE3 4.07Å; W235-W241 HydrophobicContact CE3-CG 4.31Å; W235-W241 AromaticContact CE3-CH2 3.72Å; W235-W241 HydrophobicContact CE3-CH2 3.72Å; W235-W241 AromaticContact CE3-CZ2 3.37Å; W235-W241 HydrophobicContact CE3-CZ2 3.37Å; W235-W241 HydrophobicContact CE3-CZ3 4.09Å; W235-W241 AromaticContact CE3-NE1 3.87Å; W235-W241 HydrophobicContact CZ3-CD2 4.19Å; W235-W241 AromaticContact CZ3-CE2 3.6Å; W235-W241 HydrophobicContact CZ3-CG 4.45Å; W235-W241 AromaticContact CZ3-CZ2 3.82Å; W235-W241 HydrophobicContact CZ3-CZ2 3.82Å; W235-W241 AromaticContact CZ3-NE1 3.6Å
236	H	89.4	Confident	83.7	Confident	46 Å²	46	66.3 Å²	66.3	21%	0.213	32%	0.324	C	S	.	.			trans	-98.8	156.5	177.8	-170.6	-103.6	0	0	0	112.1	I234 N238 G239 S240 I242	I234-H236 PolarHBondContact O-N 2.95Å; H236-N238 VanDerWaalsContact ND1-CG 3.28Å; H236-N238 PolarHBondContact ND1-OD1 3.13Å; H236-N238 PolarHBondContact O-N 2.97Å; H236-G239 PolarHBondContact O-N 3.3Å; H236-S240 WeakPolarHBondContact CB-O 3.37Å; H236-S240 PolarHBondContact N-O 3.12Å; H236-I242 HydrophobicContact CB-CD1 3.45Å; H236-I242 VanDerWaalsContact CB-CD1 3.45Å; H236-I242 HydrophobicContact CB-CG1 3.82Å
237	E	81.2	Confident	84	Confident	78 Å²	78	64.1 Å²	64.1	36%	0.364	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-22.3	-175.8	55.2	171.1	-161.3	0	0	114.7	R33 G239 K253	R33-E237 IonicContact CZ-OE1 2.6Å; R33-E237 IonicContact NE-OE1 3.53Å; R33-E237 PolarHBondContact NE-OE1 3.2Å; R33-E237 IonicContact NH2-OE1 3.98Å; R33-E237 PolarHBondContact NH2-OE1 3.08Å; E237-G239 VanDerWaalsContact C-N 3.28Å; E237-G239 PolarHBondContact O-N 3.33Å; E237-K253 HydrophobicContact CB-CD 4.43Å; E237-K253 IonicContact OE2-NZ 2.63Å; E237-K253 PolarHBondContact OE2-NZ 2.95Å
238	N	79	Confident	84.3	Confident	55 Å²	55	65.4 Å²	65.4	29%	0.294	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	4.5	179.3	70.6	-20	0	0	0	114	H236 S240 L403	H236-N238 VanDerWaalsContact ND1-CG 3.28Å; H236-N238 PolarHBondContact ND1-OD1 3.13Å; H236-N238 PolarHBondContact O-N 2.97Å; N238-S240 PolarHBondContact OD1-N 2.66Å; N238-L403 WeakPolarHBondContact ND2-CD1 3.49Å
239	G	86	Confident	84.6	Confident	10 Å²	10	60.6 Å²	60.6	10%	0.103	31%	0.312	C	S	.	.	S	Bend	trans	86.1	21.2	176.9	0	0	0	0	0	114.8	K146 W235 H236 E237	K146-G239 WeakPolarHBondContact CE-O 3.49Å; K146-G239 PolarHBondContact NZ-O 3.06Å; W235-G239 VanDerWaalsContact CH2-C 3.46Å; W235-G239 VanDerWaalsContact CH2-O 3.26Å; W235-G239 WeakPolarHBondContact CH2-O 3.48Å; W235-G239 VanDerWaalsContact CZ2-CA 3.44Å; H236-G239 PolarHBondContact O-N 3.3Å; E237-G239 VanDerWaalsContact C-N 3.28Å; E237-G239 PolarHBondContact O-N 3.33Å
240	S	88	Confident	84.9	Confident	45 Å²	45	58.4 Å²	58.4	32%	0.315	31%	0.306	S	S	.	.			trans	-123.7	152.8	179.6	-64.2	0	0	0	0	112.1	H236 N238	H236-S240 WeakPolarHBondContact CB-O 3.37Å; H236-S240 PolarHBondContact N-O 3.12Å; N238-S240 PolarHBondContact OD1-N 2.66Å
241	W	90.3	Very high	85.2	Confident	22 Å²	22	52.2 Å²	52.2	8%	0.083	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	127	171	-65	106.9	0	0	0	110.3	F143 Y167 P217 I220 H233 I234 W235	F143-W241 HydrophobicContact CD2-CB 3.91Å; F143-W241 AromaticContact CD2-CD1 3.72Å; F143-W241 HydrophobicContact CD2-CD2 4.1Å; F143-W241 AromaticContact CD2-CG 3.63Å; F143-W241 HydrophobicContact CD2-CG 3.63Å; F143-W241 HydrophobicContact CE2-CB 3.72Å; F143-W241 AromaticContact CE2-CG 3.99Å; F143-W241 HydrophobicContact CE2-CG 3.99Å; Y167-W241 HydrophobicContact CE1-CH2 4.35Å; Y167-W241 HydrophobicContact CE1-CZ2 4.11Å; P217-W241 WeakPolarHBondContact O-CH2 3.21Å; I220-W241 HydrophobicContact CB-CZ3 4.33Å; I220-W241 HydrophobicContact CD1-CD2 4.38Å; I220-W241 HydrophobicContact CD1-CE3 4.34Å; I220-W241 HydrophobicContact CD1-CH2 3.21Å; I220-W241 HydrophobicContact CD1-CZ2 3.2Å; I220-W241 HydrophobicContact CD1-CZ3 3.79Å; I220-W241 HydrophobicContact CG1-CE3 4.36Å; I220-W241 HydrophobicContact CG1-CH2 3.54Å; I220-W241 HydrophobicContact CG1-CZ2 4.06Å; I220-W241 HydrophobicContact CG1-CZ3 3.68Å; H233-W241 HydrophobicContact CB-CB 4.28Å; H233-W241 HydrophobicContact CB-CE3 4.31Å; I234-W241 WeakPolarHBondContact O-CA 3.43Å; W235-W241 HydrophobicContact CB-CE3 4.24Å; W235-W241 HydrophobicContact CB-CH2 3.97Å; W235-W241 HydrophobicContact CB-CZ3 3.71Å; W235-W241 HydrophobicContact CD2-CH2 4.38Å; W235-W241 HydrophobicContact CD2-CZ2 4.37Å; W235-W241 AromaticContact CE3-CD2 3.71Å; W235-W241 HydrophobicContact CE3-CD2 3.71Å; W235-W241 AromaticContact CE3-CE2 3.37Å; W235-W241 HydrophobicContact CE3-CE3 4.07Å; W235-W241 HydrophobicContact CE3-CG 4.31Å; W235-W241 AromaticContact CE3-CH2 3.72Å; W235-W241 HydrophobicContact CE3-CH2 3.72Å; W235-W241 AromaticContact CE3-CZ2 3.37Å; W235-W241 HydrophobicContact CE3-CZ2 3.37Å; W235-W241 HydrophobicContact CE3-CZ3 4.09Å; W235-W241 AromaticContact CE3-NE1 3.87Å; W235-W241 HydrophobicContact CZ3-CD2 4.19Å; W235-W241 AromaticContact CZ3-CE2 3.6Å; W235-W241 HydrophobicContact CZ3-CG 4.45Å; W235-W241 AromaticContact CZ3-CZ2 3.82Å; W235-W241 HydrophobicContact CZ3-CZ2 3.82Å; W235-W241 AromaticContact CZ3-NE1 3.6Å
242	I	89.1	Confident	85.4	Confident	4 Å²	4	49.4 Å²	49.4	2%	0.021	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	139	177.4	-55.7	-178.2	0	0	0	109.2	H233 I234 H236 K246 L403	H233-I242 CarbonylContact C-O 3.47Å; H233-I242 VanDerWaalsContact CA-O 3.28Å; H233-I242 WeakPolarHBondContact CA-O 3.15Å; I234-I242 PolarHBondContact N-O 3.32Å; I234-I242 PolarHBondContact O-N 3.19Å; H236-I242 HydrophobicContact CB-CD1 3.45Å; H236-I242 VanDerWaalsContact CB-CD1 3.45Å; H236-I242 HydrophobicContact CB-CG1 3.82Å; I242-K246 HydrophobicContact CG2-CB 4.06Å; I242-K246 HydrophobicContact CG2-CD 4.21Å; I242-L403 HydrophobicContact CD1-CD1 3.48Å; I242-L403 VanDerWaalsContact CD1-CD1 3.48Å; I242-L403 HydrophobicContact CD1-CG 3.93Å; I242-L403 HydrophobicContact CG1-CD1 3.79Å; I242-L403 HydrophobicContact CG1-CD2 4.46Å; I242-L403 HydrophobicContact CG1-CG 4.26Å
243	P	88.6	Confident	85.4	Confident	27 Å²	27	52.1 Å²	52.1	18%	0.175	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	135.9	170.3	-26.6	36.5	0	0	0	112.8	D245 K246	P243-D245 VanDerWaalsContact C-N 3.3Å; P243-D245 WeakPolarHBondContact CB-OD1 3.32Å; P243-D245 PolarHBondContact O-N 3.12Å; P243-K246 HydrophobicContact CB-CG 4.48Å; P243-K246 WeakPolarHBondContact O-CB 3.29Å; P243-K246 PolarHBondContact O-N 2.91Å; P243-K246 VanDerWaalsContact O-N 3.13Å
244	D	85.7	Confident	85.6	Confident	54 Å²	54	51.8 Å²	51.8	29%	0.289	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-61.9	-32.1	-174.9	-179.3	31.7	0	0	0	114	Q232 I234 K246 T247	Q232-D244 HydrophobicContact CB-CB 3.95Å; Q232-D244 HydrophobicContact CG-CB 4.13Å; Q232-D244 PolarHBondContact NE2-OD2 3.04Å; Q232-D244 WeakPolarHBondContact O-CB 3.37Å; Q232-D244 PolarHBondContact O-N 3.1Å; I234-D244 HydrophobicContact CD1-CB 3.81Å; I234-D244 WeakPolarHBondContact CD1-OD1 3.28Å; I234-D244 HydrophobicContact CG1-CB 4.36Å; D244-K246 PolarHBondContact O-N 2.96Å; D244-K246 VanDerWaalsContact O-N 3.08Å; D244-T247 PolarHBondContact O-N 2.8Å; D244-T247 PolarHBondContact O-OG1 2.93Å
245	D	81.8	Confident	85.8	Confident	120 Å²	120	51.5 Å²	51.5	64%	0.642	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-61.4	-19.5	176.2	60.3	-45.7	0	0	0	113.7	P243	P243-D245 VanDerWaalsContact C-N 3.3Å; P243-D245 WeakPolarHBondContact CB-OD1 3.32Å; P243-D245 PolarHBondContact O-N 3.12Å
246	K	73	Confident	85.9	Confident	117 Å²	117	51.8 Å²	51.8	51%	0.509	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-87.3	-7.2	176	-59.7	-172	179.4	-177.2	0	113.3	I242 P243 D244 P402	I242-K246 HydrophobicContact CG2-CB 4.06Å; I242-K246 HydrophobicContact CG2-CD 4.21Å; P243-K246 HydrophobicContact CB-CG 4.48Å; P243-K246 WeakPolarHBondContact O-CB 3.29Å; P243-K246 PolarHBondContact O-N 2.91Å; P243-K246 VanDerWaalsContact O-N 3.13Å; D244-K246 PolarHBondContact O-N 2.96Å; D244-K246 VanDerWaalsContact O-N 3.08Å; K246-P402 HydrophobicContact CB-CG 4.49Å; K246-P402 HydrophobicContact CD-CB 4.12Å
247	T	72.8	Confident	86.3	Confident	37 Å²	37	51.7 Å²	51.7	23%	0.227	29%	0.289	C	S	.	.			trans	-115.2	118.3	-178.1	51.1	0	0	0	0	111.1	I234 D244 S249	I234-T247 WeakPolarHBondContact CD1-OG1 3.5Å; D244-T247 PolarHBondContact O-N 2.8Å; D244-T247 PolarHBondContact O-OG1 2.93Å; T247-S249 PolarHBondContact O-N 3.13Å
248	S	75.2	Confident	87.1	Confident	127 Å²	127	48 Å²	48	89%	0.888	27%	0.272	S	S	*	.			trans	-79.7	5.7	175.2	-48.4	0	0	0	0	113.8
249	S	79.2	Confident	88	Confident	76 Å²	76	45.4 Å²	45.4	53%	0.531	26%	0.258	S	S	.	.			trans	-88.4	118.9	-170.3	-64.8	0	0	0	0	111.9	T247 I251	T247-S249 PolarHBondContact O-N 3.13Å; S249-I251 VanDerWaalsContact C-N 3.33Å
250	V	85	Confident	88.5	Confident	65 Å²	65	47.3 Å²	47.3	39%	0.394	27%	0.265	S	S	.	.	S	Bend	trans	-69	-32.2	176.4	-179.9	0	0	0	0	112.3	V296 K297 V300	V250-V296 HydrophobicContact CB-CG1 4.27Å; V250-V296 HydrophobicContact CG1-CB 4.09Å; V250-V296 HydrophobicContact CG1-CG1 3.6Å; V250-V296 HydrophobicContact CG2-CG1 3.78Å; V250-K297 HydrophobicContact CG1-CG 4.37Å; V250-V300 HydrophobicContact CB-CG2 4.35Å
251	I	88.7	Confident	89	Confident	21 Å²	21	45.3 Å²	45.3	11%	0.108	25%	0.251	C	S	.	.	S	Bend	trans	-116.9	124.5	177.4	-56.7	177.5	0	0	0	108.8	S249 E255 A256 K297 V300 L301	S249-I251 VanDerWaalsContact C-N 3.33Å; I251-E255 HydrophobicContact CG2-CB 4.17Å; I251-E255 HydrophobicContact CG2-CG 4.14Å; I251-A256 HydrophobicContact CG2-CB 3.82Å; I251-K297 HydrophobicContact CD1-CB 3.89Å; I251-K297 HydrophobicContact CD1-CG 4.03Å; I251-K297 HydrophobicContact CG1-CB 4.26Å; I251-K297 HydrophobicContact CG1-CD 4.31Å; I251-K297 HydrophobicContact CG1-CG 3.85Å; I251-V300 HydrophobicContact CD1-CB 4.25Å; I251-V300 HydrophobicContact CD1-CG1 4.2Å; I251-L301 HydrophobicContact CD1-CB 3.98Å
252	H	91.3	Very high	89.3	Confident	21 Å²	21	44.3 Å²	44.3	10%	0.097	25%	0.247	C	C	.	.			trans	-79.7	153.4	176.9	-44.1	96.5	0	0	0	111.1	W218 I234 E255 A256	W218-H252 AromaticContact CD1-CG 3.9Å; W218-H252 AromaticContact CD1-ND1 3.85Å; W218-H252 AromaticContact NE1-ND1 3.85Å; I234-H252 VanDerWaalsContact CD1-CD2 3.43Å; I234-H252 WeakPolarHBondContact CD1-CD2 3.4Å; I234-H252 WeakPolarHBondContact CD1-NE2 3.47Å; I234-H252 HydrophobicContact CG2-CB 4.47Å; I234-H252 VanDerWaalsContact CG2-CD2 3.45Å; I234-H252 WeakPolarHBondContact CG2-CD2 3.48Å; H252-E255 HydrophobicContact CB-CB 4.45Å; H252-E255 IonicContact ND1-OE2 2.74Å; H252-E255 PolarHBondContact ND1-OE2 3.05Å; H252-E255 WeakPolarHBondContact O-CB 3.45Å; H252-E255 PolarHBondContact O-N 3.31Å; H252-E255 VanDerWaalsContact O-N 3.11Å; H252-A256 PolarHBondContact O-N 2.82Å
253	K	91.8	Very high	89.7	Confident	127 Å²	127	46.2 Å²	46.2	55%	0.552	26%	0.256	S	S	*	.	H	α-helix	trans	-55	-50.8	-175.9	-66.3	-169.4	178.5	-162.9	0	113.8	E237 E255 A256 Q257	E237-K253 HydrophobicContact CB-CD 4.43Å; E237-K253 IonicContact OE2-NZ 2.63Å; E237-K253 PolarHBondContact OE2-NZ 2.95Å; K253-E255 VanDerWaalsContact C-N 3.25Å; K253-E255 PolarHBondContact O-N 3.23Å; K253-A256 PolarHBondContact O-N 2.85Å; K253-Q257 WeakPolarHBondContact O-CG 3.32Å; K253-Q257 PolarHBondContact O-N 3.49Å
254	P	95.9	Very high	90	Very high	9 Å²	9	46.1 Å²	46.1	6%	0.058	25%	0.253	C	S	.	.	H	α-helix	trans	-62	-35.4	179.9	-23.8	36.2	0	0	0	112.6	I171 I174 W218 Q257 I258	I171-P254 HydrophobicContact CG2-CB 4.43Å; I171-P254 HydrophobicContact CG2-CG 3.96Å; I174-P254 HydrophobicContact CD1-CB 4.23Å; W218-P254 HydrophobicContact CB-CB 4.33Å; W218-P254 HydrophobicContact CB-CG 3.97Å; W218-P254 HydrophobicContact CD2-CB 3.76Å; W218-P254 HydrophobicContact CD2-CG 4.35Å; W218-P254 HydrophobicContact CE3-CB 3.52Å; W218-P254 HydrophobicContact CE3-CG 4.39Å; W218-P254 HydrophobicContact CG-CB 4.09Å; W218-P254 HydrophobicContact CG-CG 4.16Å; W218-P254 HydrophobicContact CZ3-CB 4.16Å; P254-Q257 PolarHBondContact O-N 3.26Å; P254-I258 WeakPolarHBondContact O-CG1 3.23Å; P254-I258 PolarHBondContact O-N 3.41Å; P254-I258 VanDerWaalsContact O-N 3.11Å
255	E	96.7	Very high	90.5	Very high	3 Å²	3	43.7 Å²	43.7	1%	0.014	24%	0.24	C	C	.	.	H	α-helix	trans	-64.2	-46.6	175.4	-175.5	167.2	177.3	0	0	111.7	L213 W218 I251 H252 K253 Q257 I258 W259 K297	L213-E255 HydrophobicContact CD2-CG 3.87Å; W218-E255 HydrophobicContact CZ2-CB 3.62Å; W218-E255 HydrophobicContact CZ2-CG 4.06Å; I251-E255 HydrophobicContact CG2-CB 4.17Å; I251-E255 HydrophobicContact CG2-CG 4.14Å; H252-E255 HydrophobicContact CB-CB 4.45Å; H252-E255 IonicContact ND1-OE2 2.74Å; H252-E255 PolarHBondContact ND1-OE2 3.05Å; H252-E255 WeakPolarHBondContact O-CB 3.45Å; H252-E255 PolarHBondContact O-N 3.31Å; H252-E255 VanDerWaalsContact O-N 3.11Å; K253-E255 VanDerWaalsContact C-N 3.25Å; K253-E255 PolarHBondContact O-N 3.23Å; E255-Q257 VanDerWaalsContact C-N 3.31Å; E255-Q257 PolarHBondContact O-N 3.05Å; E255-I258 PolarHBondContact O-N 3.4Å; E255-W259 PolarHBondContact O-N 3.46Å; E255-W259 PolarHBondContact OE1-NE1 3.43Å; E255-K297 VanDerWaalsContact OE1-CE 3.29Å; E255-K297 WeakPolarHBondContact OE1-CE 3.25Å; E255-K297 IonicContact OE1-NZ 3.97Å; E255-K297 PolarHBondContact OE1-NZ 3.29Å
256	A	96	Very high	91.1	Very high	24 Å²	24	39.2 Å²	39.2	20%	0.198	22%	0.216	C	C	.	.	H	α-helix	trans	-58.8	-43	175.2	0	0	0	0	0	111.6	I251 H252 K253 I258 W259 L260	I251-A256 HydrophobicContact CG2-CB 3.82Å; H252-A256 PolarHBondContact O-N 2.82Å; K253-A256 PolarHBondContact O-N 2.85Å; A256-I258 VanDerWaalsContact C-N 3.32Å; A256-I258 PolarHBondContact O-N 2.96Å; A256-W259 PolarHBondContact O-N 2.88Å; A256-L260 WeakPolarHBondContact O-CB 3.35Å; A256-L260 VanDerWaalsContact O-CG 3.3Å; A256-L260 WeakPolarHBondContact O-CG 2.75Å; A256-L260 PolarHBondContact O-N 2.89Å
257	Q	97	Very high	92.1	Very high	44 Å²	44	36.8 Å²	36.8	21%	0.206	21%	0.208	C	C	.	.	H	α-helix	trans	-59.6	-42.7	177.5	-66.4	-57.3	-16.6	0	0	111.9	I174 K253 P254 E255 C261	I174-Q257 HydrophobicContact CG2-CB 3.96Å; K253-Q257 WeakPolarHBondContact O-CG 3.32Å; K253-Q257 PolarHBondContact O-N 3.49Å; P254-Q257 PolarHBondContact O-N 3.26Å; E255-Q257 VanDerWaalsContact C-N 3.31Å; E255-Q257 PolarHBondContact O-N 3.05Å; Q257-C261 WeakPolarHBondContact O-CB 3.14Å; Q257-C261 PolarHBondContact O-N 3.3Å
258	I	98.4	Very high	93	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-66.7	-44.8	178.1	-63.3	165.6	0	0	0	111.1	I174 L209 L212 L213 W218 P254 E255 A256 L260 C261 L262	I174-I258 HydrophobicContact CD1-CD1 4.21Å; I174-I258 HydrophobicContact CG2-CD1 4.14Å; I174-I258 HydrophobicContact CG2-CG1 3.49Å; I174-I258 VanDerWaalsContact CG2-CG1 3.49Å; L209-I258 HydrophobicContact CB-CG2 3.73Å; L209-I258 HydrophobicContact CD2-CG1 4.15Å; L209-I258 HydrophobicContact CD2-CG2 4.23Å; L209-I258 HydrophobicContact CG-CG2 4.36Å; L212-I258 HydrophobicContact CB-CD1 3.95Å; L213-I258 HydrophobicContact CD1-CG2 3.69Å; L213-I258 HydrophobicContact CD2-CB 4.14Å; L213-I258 HydrophobicContact CD2-CD1 4.39Å; L213-I258 HydrophobicContact CD2-CG2 4.07Å; L213-I258 HydrophobicContact CG-CB 4.24Å; L213-I258 HydrophobicContact CG-CD1 4.44Å; L213-I258 HydrophobicContact CG-CG2 3.63Å; W218-I258 HydrophobicContact CH2-CD1 3.28Å; W218-I258 HydrophobicContact CZ2-CD1 4.37Å; W218-I258 HydrophobicContact CZ3-CD1 3.46Å; W218-I258 VanDerWaalsContact CZ3-CD1 3.46Å; P254-I258 WeakPolarHBondContact O-CG1 3.23Å; P254-I258 PolarHBondContact O-N 3.41Å; P254-I258 VanDerWaalsContact O-N 3.11Å; E255-I258 PolarHBondContact O-N 3.4Å; A256-I258 VanDerWaalsContact C-N 3.32Å; A256-I258 PolarHBondContact O-N 2.96Å; I258-L260 PolarHBondContact O-N 2.92Å; I258-C261 WeakPolarHBondContact O-CB 3.32Å; I258-C261 PolarHBondContact O-N 2.95Å; I258-L262 HydrophobicContact CG2-CD1 4.09Å; I258-L262 HydrophobicContact CG2-CG 4.34Å; I258-L262 WeakPolarHBondContact O-CG 3.34Å; I258-L262 PolarHBondContact O-N 3.43Å
259	W	97.9	Very high	93.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-61.2	-45.6	178.9	-75.6	126.6	0	0	0	112.6	L213 E255 A256 C261 L262 F263 L289 L292 L293 L301 L304 L307	L213-W259 HydrophobicContact CD1-CD2 3.92Å; L213-W259 HydrophobicContact CD1-CE3 3.82Å; L213-W259 HydrophobicContact CD1-CH2 3.68Å; L213-W259 HydrophobicContact CD1-CZ2 3.76Å; L213-W259 HydrophobicContact CD1-CZ3 3.7Å; L213-W259 HydrophobicContact CD2-CD2 4.21Å; L213-W259 HydrophobicContact CD2-CZ2 3.97Å; L213-W259 HydrophobicContact CG-CZ2 4.41Å; E255-W259 PolarHBondContact O-N 3.46Å; E255-W259 PolarHBondContact OE1-NE1 3.43Å; A256-W259 PolarHBondContact O-N 2.88Å; W259-C261 VanDerWaalsContact C-N 3.3Å; W259-C261 PolarHBondContact O-N 3.08Å; W259-L262 HydrophobicContact CE3-CD1 4.36Å; W259-L262 HydrophobicContact CZ3-CD1 4.5Å; W259-L262 PolarHBondContact O-N 3.47Å; W259-F263 WeakPolarHBondContact O-CB 3.35Å; W259-F263 PolarHBondContact O-N 2.99Å; W259-L289 HydrophobicContact CH2-CB 3.94Å; W259-L289 HydrophobicContact CH2-CD1 4.35Å; W259-L289 HydrophobicContact CH2-CD2 4.43Å; W259-L289 HydrophobicContact CH2-CG 4.48Å; W259-L289 HydrophobicContact CZ3-CB 4.15Å; W259-L289 HydrophobicContact CZ3-CD1 3.97Å; W259-L292 HydrophobicContact CH2-CB 4.14Å; W259-L292 HydrophobicContact CZ2-CB 3.95Å; W259-L293 HydrophobicContact CD2-CD2 4.25Å; W259-L293 HydrophobicContact CE3-CD2 3.99Å; W259-L293 HydrophobicContact CH2-CD2 3.57Å; W259-L293 HydrophobicContact CH2-CG 3.81Å; W259-L293 HydrophobicContact CZ2-CD2 3.87Å; W259-L293 HydrophobicContact CZ2-CG 4.41Å; W259-L293 HydrophobicContact CZ3-CD1 4.39Å; W259-L293 HydrophobicContact CZ3-CD2 3.65Å; W259-L293 HydrophobicContact CZ3-CG 4.06Å; W259-L301 HydrophobicContact CB-CD2 4.48Å; W259-L304 HydrophobicContact CB-CD1 4.19Å; W259-L304 HydrophobicContact CB-CD2 3.74Å; W259-L304 HydrophobicContact CD2-CD1 4.27Å; W259-L304 HydrophobicContact CG-CD1 3.98Å; W259-L304 HydrophobicContact CG-CD2 4.25Å; W259-L307 HydrophobicContact CE3-CD2 3.71Å; W259-L307 HydrophobicContact CZ3-CD2 3.97Å
260	L	96.5	Very high	94.2	Very high	51 Å²	51	31 Å²	31	27%	0.267	17%	0.17	S	C	.	.	H	α-helix	trans	-63.6	-37.6	175.6	-69.5	175.3	0	0	0	111.8	A256 I258 F263 Q264 L301 V303	A256-L260 WeakPolarHBondContact O-CB 3.35Å; A256-L260 VanDerWaalsContact O-CG 3.3Å; A256-L260 WeakPolarHBondContact O-CG 2.75Å; A256-L260 PolarHBondContact O-N 2.89Å; I258-L260 PolarHBondContact O-N 2.92Å; L260-F263 PolarHBondContact O-N 3.39Å; L260-Q264 WeakPolarHBondContact O-CB 3.43Å; L260-Q264 PolarHBondContact O-N 2.74Å; L260-L301 HydrophobicContact CD2-CD1 4.3Å; L260-L301 HydrophobicContact CD2-CD2 4.18Å; L260-L301 HydrophobicContact CG-CD2 4.38Å; L260-V303 HydrophobicContact CD2-CG2 4.06Å
261	C	97.7	Very high	94.2	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.014	16%	0.158	C	C	.	.	H	α-helix	trans	-63.1	-48.1	175.2	-172.5	0	0	0	0	111.6	R178 F181 L209 Q257 I258 W259 F263 Q264 I265	R178-C261 HydrophobicContact CB-CB 3.98Å; R178-C261 HydrophobicContact CG-CB 4.01Å; F181-C261 WeakPolarHBondContact CD2-SG 3.07Å; L209-C261 HydrophobicContact CD1-CB 4.15Å; L209-C261 VanDerWaalsContact CD1-SG 3.54Å; Q257-C261 WeakPolarHBondContact O-CB 3.14Å; Q257-C261 PolarHBondContact O-N 3.3Å; I258-C261 WeakPolarHBondContact O-CB 3.32Å; I258-C261 PolarHBondContact O-N 2.95Å; W259-C261 VanDerWaalsContact C-N 3.3Å; W259-C261 PolarHBondContact O-N 3.08Å; C261-F263 VanDerWaalsContact C-N 3.33Å; C261-F263 PolarHBondContact O-N 3.44Å; C261-Q264 WeakPolarHBondContact O-CB 3.3Å; C261-Q264 PolarHBondContact O-N 2.69Å; C261-I265 WeakPolarHBondContact O-CD1 3.45Å; C261-I265 VanDerWaalsContact O-CG1 3.29Å; C261-I265 WeakPolarHBondContact O-CG1 3.48Å; C261-I265 PolarHBondContact O-N 3.11Å
262	L	97.9	Very high	94.1	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-63.2	-39.1	176.1	-70.6	174.5	0	0	0	112.1	P206 L209 L213 I258 W259 I265 L266 L289	P206-L262 HydrophobicContact CB-CD2 4.35Å; L209-L262 HydrophobicContact CB-CD2 4.24Å; L209-L262 HydrophobicContact CD1-CD2 4.27Å; L213-L262 HydrophobicContact CD1-CD1 3.72Å; I258-L262 HydrophobicContact CG2-CD1 4.09Å; I258-L262 HydrophobicContact CG2-CG 4.34Å; I258-L262 WeakPolarHBondContact O-CG 3.34Å; I258-L262 PolarHBondContact O-N 3.43Å; W259-L262 HydrophobicContact CE3-CD1 4.36Å; W259-L262 HydrophobicContact CZ3-CD1 4.5Å; W259-L262 PolarHBondContact O-N 3.47Å; L262-I265 PolarHBondContact O-N 3.45Å; L262-L266 HydrophobicContact CB-CD1 4.46Å; L262-L266 VanDerWaalsContact O-CB 3.31Å; L262-L266 WeakPolarHBondContact O-CB 3.35Å; L262-L266 VanDerWaalsContact O-CG 3.25Å; L262-L266 WeakPolarHBondContact O-CG 3.5Å; L262-L266 PolarHBondContact O-N 3.43Å; L262-L289 HydrophobicContact CD1-CD1 3.57Å
263	F	96.7	Very high	93.9	Very high	44 Å²	44	33.4 Å²	33.4	19%	0.193	19%	0.192	C	C	.	.	H	α-helix	trans	-59.6	-46	172.9	178.7	-90.8	0	0	0	111.5	W259 L260 C261 I265 L266 L267 A268 V303	W259-F263 WeakPolarHBondContact O-CB 3.35Å; W259-F263 PolarHBondContact O-N 2.99Å; L260-F263 PolarHBondContact O-N 3.39Å; C261-F263 VanDerWaalsContact C-N 3.33Å; C261-F263 PolarHBondContact O-N 3.44Å; F263-I265 VanDerWaalsContact C-N 3.34Å; F263-I265 PolarHBondContact O-N 2.98Å; F263-L266 PolarHBondContact O-N 3.49Å; F263-L267 HydrophobicContact CD2-CB 4.26Å; F263-L267 HydrophobicContact CD2-CD1 3.78Å; F263-L267 HydrophobicContact CE2-CB 4.13Å; F263-L267 HydrophobicContact CE2-CD1 3.77Å; F263-L267 HydrophobicContact CZ-CB 4.47Å; F263-L267 PolarHBondContact O-N 2.94Å; F263-A268 HydrophobicContact CD1-CB 4.11Å; F263-A268 HydrophobicContact CE1-CB 3.73Å; F263-A268 PolarHBondContact O-N 3.05Å; F263-A268 VanDerWaalsContact O-N 3.11Å; F263-V303 HydrophobicContact CD2-CB 4.24Å; F263-V303 WeakPolarHBondContact CD2-O 3.17Å; F263-V303 HydrophobicContact CE2-CB 4.02Å; F263-V303 WeakPolarHBondContact CE2-O 3.45Å; F263-V303 HydrophobicContact CZ-CB 4.23Å
264	Q	94.6	Very high	93.8	Very high	25 Å²	25	33 Å²	33	12%	0.117	19%	0.191	C	C	.	.	H	α-helix	trans	-59.2	-44.7	176.1	-176.7	62.7	31.1	0	0	111.8	L185 N186 L260 C261 A268 N269	L185-Q264 HydrophobicContact CB-CG 4.49Å; N186-Q264 PolarHBondContact OD1-NE2 2.91Å; L260-Q264 WeakPolarHBondContact O-CB 3.43Å; L260-Q264 PolarHBondContact O-N 2.74Å; C261-Q264 WeakPolarHBondContact O-CB 3.3Å; C261-Q264 PolarHBondContact O-N 2.69Å; Q264-A268 PolarHBondContact NE2-O 3.49Å; Q264-A268 CarbonylContact O-C 3.28Å; Q264-N269 WeakPolarHBondContact O-CA 3.24Å; Q264-N269 WeakPolarHBondContact O-CB 3.41Å; Q264-N269 PolarHBondContact O-N 3.01Å
265	I	95.7	Very high	93.6	Very high	3 Å²	3	33.4 Å²	33.4	2%	0.015	19%	0.191	C	C	.	.	H	α-helix	trans	-66.9	-44.2	-177.9	-67.8	155.5	0	0	0	112.1	F181 L185 L200 P206 L209 C261 L262 F263 N269 Y275	F181-I265 HydrophobicContact CB-CG1 4.46Å; F181-I265 HydrophobicContact CD1-CD1 4.25Å; F181-I265 HydrophobicContact CD1-CG1 3.91Å; F181-I265 HydrophobicContact CD2-CD1 3.85Å; F181-I265 HydrophobicContact CD2-CG1 4.3Å; F181-I265 HydrophobicContact CE1-CD1 4.22Å; F181-I265 HydrophobicContact CE1-CG1 4.15Å; F181-I265 HydrophobicContact CE2-CD1 3.77Å; F181-I265 HydrophobicContact CE2-CG1 4.47Å; F181-I265 HydrophobicContact CG-CD1 4.06Å; F181-I265 HydrophobicContact CG-CG1 3.99Å; F181-I265 HydrophobicContact CZ-CD1 3.96Å; F181-I265 HydrophobicContact CZ-CG1 4.39Å; L185-I265 HydrophobicContact CD1-CB 4.24Å; L185-I265 HydrophobicContact CD1-CG1 3.8Å; L200-I265 HydrophobicContact CD2-CG1 4.33Å; L200-I265 HydrophobicContact CD2-CG2 3.7Å; P206-I265 HydrophobicContact CG-CD1 4.17Å; P206-I265 HydrophobicContact CG-CG2 4.32Å; L209-I265 HydrophobicContact CD1-CD1 4.34Å; C261-I265 WeakPolarHBondContact O-CD1 3.45Å; C261-I265 VanDerWaalsContact O-CG1 3.29Å; C261-I265 WeakPolarHBondContact O-CG1 3.48Å; C261-I265 PolarHBondContact O-N 3.11Å; L262-I265 PolarHBondContact O-N 3.45Å; F263-I265 VanDerWaalsContact C-N 3.34Å; F263-I265 PolarHBondContact O-N 2.98Å; I265-N269 WeakPolarHBondContact O-CB 3.3Å; I265-N269 PolarHBondContact O-ND2 3.42Å; I265-Y275 HydrophobicContact CG2-CG 4.35Å
266	L	95.2	Very high	93.3	Very high	27 Å²	27	35 Å²	35	14%	0.141	20%	0.2	C	C	.	.	H	α-helix	trans	-92.7	-32.4	-167.4	-61.9	170.5	0	0	0	113.4	L262 F263 Y275 L286 L307 F310	L262-L266 HydrophobicContact CB-CD1 4.46Å; L262-L266 VanDerWaalsContact O-CB 3.31Å; L262-L266 WeakPolarHBondContact O-CB 3.35Å; L262-L266 VanDerWaalsContact O-CG 3.25Å; L262-L266 WeakPolarHBondContact O-CG 3.5Å; L262-L266 PolarHBondContact O-N 3.43Å; F263-L266 PolarHBondContact O-N 3.49Å; L266-Y275 HydrophobicContact CD2-CD1 3.92Å; L266-L286 HydrophobicContact CD1-CD2 3.82Å; L266-L286 HydrophobicContact CD2-CD1 4.38Å; L266-L307 HydrophobicContact CD1-CD1 3.73Å; L266-F310 HydrophobicContact CB-CE1 4.28Å; L266-F310 HydrophobicContact CD1-CD1 4.46Å; L266-F310 HydrophobicContact CD1-CE1 4.1Å; L266-F310 HydrophobicContact CD2-CE1 4.21Å; L266-F310 HydrophobicContact CD2-CZ 4.41Å; L266-F310 HydrophobicContact CG-CE1 4.43Å
267	L	94.2	Very high	93	Very high	66 Å²	66	34.2 Å²	34.2	35%	0.346	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.6	-45.1	-169	-62.6	-179.7	0	0	0	113.8	F263 N269 D306 L307 F310	F263-L267 HydrophobicContact CD2-CB 4.26Å; F263-L267 HydrophobicContact CD2-CD1 3.78Å; F263-L267 HydrophobicContact CE2-CB 4.13Å; F263-L267 HydrophobicContact CE2-CD1 3.77Å; F263-L267 HydrophobicContact CZ-CB 4.47Å; F263-L267 PolarHBondContact O-N 2.94Å; L267-N269 VanDerWaalsContact C-N 3.34Å; L267-D306 HydrophobicContact CD1-CB 4.01Å; L267-L307 HydrophobicContact CD1-CB 4.25Å; L267-F310 HydrophobicContact CD1-CB 4.48Å; L267-F310 HydrophobicContact CD2-CB 3.93Å; L267-F310 HydrophobicContact CD2-CD2 3.88Å; L267-F310 HydrophobicContact CD2-CG 3.96Å
268	A	91.9	Very high	92.5	Very high	38 Å²	38	34.6 Å²	34.6	31%	0.314	20%	0.2	S	C	.	.	S	Bend	trans	-92.5	9.4	-176.6	0	0	0	0	0	114.2	F263 Q264 S270	F263-A268 HydrophobicContact CD1-CB 4.11Å; F263-A268 HydrophobicContact CE1-CB 3.73Å; F263-A268 PolarHBondContact O-N 3.05Å; F263-A268 VanDerWaalsContact O-N 3.11Å; Q264-A268 PolarHBondContact NE2-O 3.49Å; Q264-A268 CarbonylContact O-C 3.28Å; A268-S270 PolarHBondContact O-N 3.04Å
269	N	90.9	Very high	92.1	Very high	15 Å²	15	36.6 Å²	36.6	8%	0.08	21%	0.212	C	C	.	.			trans	-73.4	108.3	-178.9	-179.2	-8.2	0	0	0	111.7	L185 Q264 I265 L267 S271 L273 K274	L185-N269 HydrophobicContact CB-CB 4.37Å; L185-N269 HydrophobicContact CD1-CB 4.45Å; L185-N269 PolarHBondContact O-OD1 3.42Å; Q264-N269 WeakPolarHBondContact O-CA 3.24Å; Q264-N269 WeakPolarHBondContact O-CB 3.41Å; Q264-N269 PolarHBondContact O-N 3.01Å; I265-N269 WeakPolarHBondContact O-CB 3.3Å; I265-N269 PolarHBondContact O-ND2 3.42Å; L267-N269 VanDerWaalsContact C-N 3.34Å; N269-S271 WeakPolarHBondContact OD1-CB 3.44Å; N269-S271 PolarHBondContact OD1-N 2.92Å; N269-S271 PolarHBondContact OD1-OG 2.8Å; N269-L273 PolarHBondContact ND2-O 3.07Å; N269-K274 PolarHBondContact O-NZ 3.45Å
270	S	87.6	Confident	91.8	Very high	64 Å²	64	38.8 Å²	38.8	45%	0.448	24%	0.235	S	C	.	.			trans	-93	-4.8	176.5	52.9	0	0	0	0	113.6	L185 N186 S187 A268	L185-S270 PolarHBondContact O-N 2.75Å; L185-S270 PolarHBondContact O-OG 3.49Å; N186-S270 WeakPolarHBondContact CA-OG 3.38Å; S187-S270 PolarHBondContact N-OG 3.38Å; A268-S270 PolarHBondContact O-N 3.04Å
271	S	86.5	Confident	91.7	Very high	20 Å²	20	41.6 Å²	41.6	14%	0.14	25%	0.246	C	C	.	.	S	Bend	trans	-74.8	168.8	175.8	81	0	0	0	0	113.4	L185 N269 L273 K274	L185-S271 PolarHBondContact O-N 2.9Å; L185-S271 VanDerWaalsContact O-N 3.12Å; N269-S271 WeakPolarHBondContact OD1-CB 3.44Å; N269-S271 PolarHBondContact OD1-N 2.92Å; N269-S271 PolarHBondContact OD1-OG 2.8Å; S271-L273 PolarHBondContact O-N 2.62Å; S271-L273 PolarHBondContact OG-N 2.64Å; S271-L273 PolarHBondContact OG-O 2.83Å; S271-K274 PolarHBondContact O-NZ 2.76Å; S271-K274 VanDerWaalsContact O-NZ 3.09Å
272	S	85.2	Confident	91.6	Very high	115 Å²	115	42.7 Å²	42.7	80%	0.804	25%	0.25	S	S	*	.	S	Bend	trans	-72.1	-15	172.4	60.5	0	0	0	0	113.7
273	L	87.9	Confident	91.4	Very high	24 Å²	24	44.1 Å²	44.1	13%	0.126	26%	0.255	C	S	.	.			trans	-79.2	126.9	179.2	-56	172.4	0	0	0	108.9	L185 R197 L200 Y201 N269 S271	L185-L273 HydrophobicContact CD2-CB 4.43Å; L185-L273 HydrophobicContact CD2-CD1 4.34Å; R197-L273 HydrophobicContact CB-CD1 4.38Å; R197-L273 HydrophobicContact CB-CD2 4.13Å; R197-L273 HydrophobicContact CG-CD2 4.45Å; L200-L273 HydrophobicContact CD1-CB 3.93Å; Y201-L273 HydrophobicContact CE2-CD2 4.19Å; N269-L273 PolarHBondContact ND2-O 3.07Å; S271-L273 PolarHBondContact O-N 2.62Å; S271-L273 PolarHBondContact OG-N 2.64Å; S271-L273 PolarHBondContact OG-O 2.83Å
274	K	88.6	Confident	91.4	Very high	119 Å²	119	46 Å²	46	52%	0.517	27%	0.27	S	S	.	.			trans	-125.4	126	177	-61.3	-61.1	177.5	-156.9	0	110.2	Y201 N269 S271 D276	Y201-K274 PolarHBondContact OH-N 3.02Å; Y201-K274 PolarHBondContact OH-O 3.07Å; N269-K274 PolarHBondContact O-NZ 3.45Å; S271-K274 PolarHBondContact O-NZ 2.76Å; S271-K274 VanDerWaalsContact O-NZ 3.09Å; K274-D276 PolarHBondContact O-N 3.37Å
275	Y	92.1	Very high	91.5	Very high	16 Å²	16	45.4 Å²	45.4	6%	0.063	27%	0.27	C	S	.	.			trans	-71.4	115.9	177.7	-175.4	-113.8	0	0	0	110.2	L200 D204 P206 I265 L266 C277 R282 L286	L200-Y275 HydrophobicContact CD2-CD2 4.22Å; D204-Y275 WeakPolarHBondContact OD1-CE2 3.37Å; D204-Y275 PolarHBondContact OD1-OH 3.2Å; P206-Y275 HydrophobicContact CB-CE1 3.93Å; P206-Y275 HydrophobicContact CB-CE2 3.96Å; P206-Y275 HydrophobicContact CG-CD2 3.91Å; P206-Y275 HydrophobicContact CG-CE1 4.34Å; P206-Y275 HydrophobicContact CG-CE2 3.65Å; P206-Y275 HydrophobicContact CG-CG 4.36Å; I265-Y275 HydrophobicContact CG2-CG 4.35Å; L266-Y275 HydrophobicContact CD2-CD1 3.92Å; Y275-C277 PolarHBondContact O-N 2.98Å; Y275-C277 PolarHBondContact O-SG 3.24Å; Y275-C277 VanDerWaalsContact O-SG 3.37Å; Y275-R282 HydrophobicContact CE1-CB 4.29Å; Y275-R282 VanDerWaalsContact CZ-CD 3.42Å; Y275-R282 VanDerWaalsContact OH-CD 3.26Å; Y275-R282 WeakPolarHBondContact OH-CD 3.33Å; Y275-R282 WeakPolarHBondContact OH-CG 3.38Å; Y275-L286 HydrophobicContact CE1-CD1 4.16Å
276	D	90.1	Very high	91.6	Very high	38 Å²	38	45.3 Å²	45.3	20%	0.203	27%	0.27	C	S	.	.			trans	-72	100.9	-177.5	-177.6	8.2	0	0	0	111	K274 S278 V279 R282	K274-D276 PolarHBondContact O-N 3.37Å; D276-S278 VanDerWaalsContact C-N 3.31Å; D276-S278 VanDerWaalsContact OD1-CB 3.27Å; D276-S278 WeakPolarHBondContact OD1-CB 3.26Å; D276-S278 PolarHBondContact OD1-N 3.39Å; D276-S278 PolarHBondContact OD1-OG 3.37Å; D276-S278 PolarHBondContact OD2-OG 3.43Å; D276-V279 HydrophobicContact CB-CG2 4.18Å; D276-V279 VanDerWaalsContact OD2-CG2 3.25Å; D276-V279 WeakPolarHBondContact OD2-CG2 3.18Å; D276-R282 WeakPolarHBondContact O-CD 3.38Å
277	C	91	Very high	91.7	Very high	6 Å²	6	45.6 Å²	45.6	4%	0.041	27%	0.271	C	S	.	.			trans	-84	-4.8	179	-61.7	0	0	0	0	113.1	Y275 V279 R283 L286 L314	Y275-C277 PolarHBondContact O-N 2.98Å; Y275-C277 PolarHBondContact O-SG 3.24Å; Y275-C277 VanDerWaalsContact O-SG 3.37Å; C277-V279 VanDerWaalsContact C-N 3.34Å; C277-R283 WeakPolarHBondContact O-CB 3.09Å; C277-L286 HydrophobicContact CB-CD1 4.3Å; C277-L314 HydrophobicContact CB-CD1 3.97Å; C277-L314 HydrophobicContact CB-CD2 4.42Å
278	S	86.5	Confident	91.8	Very high	52 Å²	52	47.3 Å²	47.3	36%	0.364	28%	0.276	S	S	.	.			trans	-77.8	-22.9	178	75.7	0	0	0	0	112.2	D276 G280 Y320	D276-S278 VanDerWaalsContact C-N 3.31Å; D276-S278 VanDerWaalsContact OD1-CB 3.27Å; D276-S278 WeakPolarHBondContact OD1-CB 3.26Å; D276-S278 PolarHBondContact OD1-N 3.39Å; D276-S278 PolarHBondContact OD1-OG 3.37Å; D276-S278 PolarHBondContact OD2-OG 3.43Å; S278-G280 PolarHBondContact O-N 3.18Å; S278-Y320 PolarHBondContact N-O 3.45Å
279	V	90.1	Very high	92.1	Very high	42 Å²	42	45.6 Å²	45.6	26%	0.255	26%	0.261	S	S	.	.	S	Bend	trans	-61.4	123	176.1	-172.5	0	0	0	0	110.5	D276 C277 H281 R282 R283	D276-V279 HydrophobicContact CB-CG2 4.18Å; D276-V279 VanDerWaalsContact OD2-CG2 3.25Å; D276-V279 WeakPolarHBondContact OD2-CG2 3.18Å; C277-V279 VanDerWaalsContact C-N 3.34Å; V279-H281 WeakPolarHBondContact CG1-CE1 3.45Å; V279-H281 WeakPolarHBondContact CG1-ND1 3.38Å; V279-H281 PolarHBondContact O-N 3.37Å; V279-R282 HydrophobicContact CB-CB 4.25Å; V279-R282 HydrophobicContact CB-CG 4.04Å; V279-R282 HydrophobicContact CG1-CG 4.36Å; V279-R282 WeakPolarHBondContact O-CB 3.44Å; V279-R282 PolarHBondContact O-N 2.95Å; V279-R283 PolarHBondContact O-N 2.97Å
280	G	91.2	Very high	92.3	Very high	46 Å²	46	48.8 Å²	48.8	47%	0.474	27%	0.272	S	S	.	.	H	α-helix	trans	-51.3	-47.2	-169.6	0	0	0	0	0	114.8	S278 R282 R283 T284	S278-G280 PolarHBondContact O-N 3.18Å; G280-R282 PolarHBondContact O-N 2.83Å; G280-R283 PolarHBondContact O-N 3.46Å; G280-T284 WeakPolarHBondContact O-CB 3.48Å; G280-T284 PolarHBondContact O-N 3.43Å; G280-T284 PolarHBondContact O-OG1 2.93Å
281	H	94.4	Very high	92.7	Very high	111 Å²	111	50.4 Å²	50.4	51%	0.514	28%	0.281	S	S	.	.	H	α-helix	trans	-69.4	-34.1	-179.1	62.9	-99.8	0	0	0	113.1	I207 V279 A285	I207-H281 VanDerWaalsContact CD1-CD2 3.47Å; I207-H281 WeakPolarHBondContact CD1-CD2 3.41Å; V279-H281 WeakPolarHBondContact CG1-CE1 3.45Å; V279-H281 WeakPolarHBondContact CG1-ND1 3.38Å; V279-H281 PolarHBondContact O-N 3.37Å; H281-A285 WeakPolarHBondContact O-CB 3.32Å; H281-A285 PolarHBondContact O-N 3.14Å
282	R	95.1	Very high	93.1	Very high	25 Å²	25	51.2 Å²	51.2	9%	0.094	28%	0.284	C	S	.	.	H	α-helix	trans	-67	-47.7	175.2	-64.1	-176.7	168.2	163	1.8	110.7	D204 I207 Y275 D276 V279 G280 T284 A285 L286	D204-R282 IonicContact OD1-NE 3.54Å; D204-R282 IonicContact OD2-CZ 3.12Å; D204-R282 VanDerWaalsContact OD2-CZ 3.26Å; D204-R282 IonicContact OD2-NE 2.72Å; D204-R282 PolarHBondContact OD2-NE 2.93Å; D204-R282 IonicContact OD2-NH2 2.66Å; D204-R282 PolarHBondContact OD2-NH2 3.31Å; I207-R282 HydrophobicContact CD1-CG 4Å; I207-R282 HydrophobicContact CG1-CG 4.35Å; Y275-R282 HydrophobicContact CE1-CB 4.29Å; Y275-R282 VanDerWaalsContact CZ-CD 3.42Å; Y275-R282 VanDerWaalsContact OH-CD 3.26Å; Y275-R282 WeakPolarHBondContact OH-CD 3.33Å; Y275-R282 WeakPolarHBondContact OH-CG 3.38Å; D276-R282 WeakPolarHBondContact O-CD 3.38Å; V279-R282 HydrophobicContact CB-CB 4.25Å; V279-R282 HydrophobicContact CB-CG 4.04Å; V279-R282 HydrophobicContact CG1-CG 4.36Å; V279-R282 WeakPolarHBondContact O-CB 3.44Å; V279-R282 PolarHBondContact O-N 2.95Å; G280-R282 PolarHBondContact O-N 2.83Å; R282-T284 PolarHBondContact O-N 3.39Å; R282-A285 PolarHBondContact O-N 3.4Å; R282-L286 WeakPolarHBondContact O-CG 2.98Å; R282-L286 PolarHBondContact O-N 3.03Å
283	R	94.6	Very high	93.6	Very high	31 Å²	31	45.9 Å²	45.9	12%	0.117	25%	0.246	C	C	.	.	H	α-helix	trans	-54.9	-50.6	174.4	-174.2	-177.7	171.2	83.4	1	111	C277 V279 G280 A285 L286 L287 L314 S315 N317	C277-R283 WeakPolarHBondContact O-CB 3.09Å; V279-R283 PolarHBondContact O-N 2.97Å; G280-R283 PolarHBondContact O-N 3.46Å; R283-A285 PolarHBondContact O-N 2.93Å; R283-L286 PolarHBondContact O-N 2.95Å; R283-L287 HydrophobicContact CG-CD1 3.92Å; R283-L287 HydrophobicContact CG-CG 4.4Å; R283-L287 WeakPolarHBondContact O-CB 3.28Å; R283-L287 VanDerWaalsContact O-CG 3.29Å; R283-L287 WeakPolarHBondContact O-CG 3.38Å; R283-L287 PolarHBondContact O-N 3.02Å; R283-L314 HydrophobicContact CG-CD2 4.42Å; R283-L314 HydrophobicContact CG-CG 4.38Å; R283-L314 PolarHBondContact NH1-O 3.38Å; R283-L314 PolarHBondContact NH2-O 3.25Å; R283-S315 PolarHBondContact NH2-O 3.19Å; R283-S315 VanDerWaalsContact NH2-O 3.15Å; R283-N317 PolarHBondContact NH1-O 3.48Å
284	T	96	Very high	94	Very high	82 Å²	82	47.8 Å²	47.8	50%	0.503	26%	0.259	S	S	.	.	H	α-helix	trans	-59.5	-44.8	178.7	-59.6	0	0	0	0	111.9	G280 R282 L287 K288	G280-T284 WeakPolarHBondContact O-CB 3.48Å; G280-T284 PolarHBondContact O-N 3.43Å; G280-T284 PolarHBondContact O-OG1 2.93Å; R282-T284 PolarHBondContact O-N 3.39Å; T284-L287 PolarHBondContact O-N 3.02Å; T284-K288 WeakPolarHBondContact O-CG 3.31Å; T284-K288 PolarHBondContact O-N 3.08Å
285	A	97	Very high	94.3	Very high	14 Å²	14	47.4 Å²	47.4	12%	0.116	26%	0.259	C	S	.	.	H	α-helix	trans	-61.9	-45	178.3	0	0	0	0	0	112.2	C210 H281 R282 R283 K288	C210-A285 HydrophobicContact CB-CB 4.18Å; H281-A285 WeakPolarHBondContact O-CB 3.32Å; H281-A285 PolarHBondContact O-N 3.14Å; R282-A285 PolarHBondContact O-N 3.4Å; R283-A285 PolarHBondContact O-N 2.93Å; A285-K288 PolarHBondContact O-N 3.18Å
286	L	97.4	Very high	94.3	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-63.9	-44.2	177.3	-73.2	171	0	0	0	112.4	L266 Y275 C277 R282 R283 K288 L289 L311 L314	L266-L286 HydrophobicContact CD1-CD2 3.82Å; L266-L286 HydrophobicContact CD2-CD1 4.38Å; Y275-L286 HydrophobicContact CE1-CD1 4.16Å; C277-L286 HydrophobicContact CB-CD1 4.3Å; R282-L286 WeakPolarHBondContact O-CG 2.98Å; R282-L286 PolarHBondContact O-N 3.03Å; R283-L286 PolarHBondContact O-N 2.95Å; L286-K288 PolarHBondContact O-N 3.28Å; L286-L289 VanDerWaalsContact O-CB 3.24Å; L286-L289 WeakPolarHBondContact O-CB 3.36Å; L286-L289 WeakPolarHBondContact O-CG 3.29Å; L286-L289 PolarHBondContact O-N 3.5Å; L286-L311 HydrophobicContact CB-CD2 3.88Å; L286-L314 HydrophobicContact CB-CD2 4.21Å; L286-L314 HydrophobicContact CD1-CD2 4.1Å
287	L	96.9	Very high	94.5	Very high	33 Å²	33	49.2 Å²	49.2	17%	0.173	27%	0.272	C	S	.	.	H	α-helix	trans	-67.4	-22.7	-177.5	-70.9	179.7	0	0	0	113.7	R283 T284 L289 R290 L311 L314	R283-L287 HydrophobicContact CG-CD1 3.92Å; R283-L287 HydrophobicContact CG-CG 4.4Å; R283-L287 WeakPolarHBondContact O-CB 3.28Å; R283-L287 VanDerWaalsContact O-CG 3.29Å; R283-L287 WeakPolarHBondContact O-CG 3.38Å; R283-L287 PolarHBondContact O-N 3.02Å; T284-L287 PolarHBondContact O-N 3.02Å; L287-L289 PolarHBondContact O-N 3.38Å; L287-R290 PolarHBondContact O-N 3.05Å; L287-R290 PolarHBondContact O-NE 3.47Å; L287-L311 VanDerWaalsContact CD2-O 3.22Å; L287-L311 WeakPolarHBondContact CD2-O 3.45Å; L287-L314 HydrophobicContact CD2-CB 4.34Å; L287-L314 HydrophobicContact CD2-CD2 4.27Å; L287-L314 HydrophobicContact CD2-CG 4.33Å; L287-L314 HydrophobicContact CG-CD2 4.46Å
288	K	97.1	Very high	94.7	Very high	102 Å²	102	49.3 Å²	49.3	44%	0.443	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-17.8	171.3	-74.2	175	170.5	-165.4	0	113.5	E214 T284 A285 L286 P291	E214-K288 IonicContact OE2-NZ 3.85Å; E214-K288 PolarHBondContact OE2-NZ 2.65Å; T284-K288 WeakPolarHBondContact O-CG 3.31Å; T284-K288 PolarHBondContact O-N 3.08Å; A285-K288 PolarHBondContact O-N 3.18Å; L286-K288 PolarHBondContact O-N 3.28Å; K288-P291 VanDerWaalsContact O-CD 3.32Å; K288-P291 WeakPolarHBondContact O-CD 3.29Å; K288-P291 WeakPolarHBondContact O-CG 3.46Å
289	L	97.2	Very high	95	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.01	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-22.1	178.9	-59.2	-173.3	0	0	0	113.3	C210 L213 W259 L262 L286 L287 L292 L293 L311	C210-L289 HydrophobicContact CB-CD1 4.38Å; C210-L289 HydrophobicContact CB-CD2 4.21Å; C210-L289 HydrophobicContact CB-CG 4.47Å; L213-L289 HydrophobicContact CB-CD2 3.94Å; L213-L289 HydrophobicContact CD1-CD1 4.02Å; L213-L289 HydrophobicContact CD1-CD2 3.82Å; W259-L289 HydrophobicContact CH2-CB 3.94Å; W259-L289 HydrophobicContact CH2-CD1 4.35Å; W259-L289 HydrophobicContact CH2-CD2 4.43Å; W259-L289 HydrophobicContact CH2-CG 4.48Å; W259-L289 HydrophobicContact CZ3-CB 4.15Å; W259-L289 HydrophobicContact CZ3-CD1 3.97Å; L262-L289 HydrophobicContact CD1-CD1 3.57Å; L286-L289 VanDerWaalsContact O-CB 3.24Å; L286-L289 WeakPolarHBondContact O-CB 3.36Å; L286-L289 WeakPolarHBondContact O-CG 3.29Å; L286-L289 PolarHBondContact O-N 3.5Å; L287-L289 PolarHBondContact O-N 3.38Å; L289-L292 HydrophobicContact CD2-CD1 3.94Å; L289-L292 WeakPolarHBondContact O-CA 3.47Å; L289-L292 VanDerWaalsContact O-CB 3.3Å; L289-L292 WeakPolarHBondContact O-CB 3.45Å; L289-L292 PolarHBondContact O-N 3.3Å; L289-L293 PolarHBondContact O-N 3.33Å; L289-L311 HydrophobicContact CB-CD1 4.01Å
290	R	95.7	Very high	95.1	Very high	81 Å²	81	55 Å²	55	31%	0.306	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-48.9	-52.5	-179.7	-68.2	-172.9	-59.8	167.2	0.1	114.1	L287 L292 L293 L311 E312 S315	L287-R290 PolarHBondContact O-N 3.05Å; L287-R290 PolarHBondContact O-NE 3.47Å; R290-L292 PolarHBondContact O-N 2.9Å; R290-L293 PolarHBondContact O-N 2.9Å; R290-L293 VanDerWaalsContact O-N 3.15Å; R290-L311 HydrophobicContact CG-CB 3.63Å; R290-L311 HydrophobicContact CG-CD1 4.1Å; R290-L311 HydrophobicContact CG-CG 4.5Å; R290-E312 WeakPolarHBondContact CD-OE2 3.2Å; R290-E312 IonicContact CZ-OE2 3.02Å; R290-E312 IonicContact NH1-OE2 3.93Å; R290-E312 PolarHBondContact NH1-OE2 2.63Å; R290-S315 PolarHBondContact NH1-OG 3.05Å
291	P	95.4	Very high	95.2	Very high	99 Å²	99	54.4 Å²	54.4	64%	0.643	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-65.7	-17.8	178	26.5	-37.1	0	0	0	113.9	K288 L293	K288-P291 VanDerWaalsContact O-CD 3.32Å; K288-P291 WeakPolarHBondContact O-CD 3.29Å; K288-P291 WeakPolarHBondContact O-CG 3.46Å; P291-L293 VanDerWaalsContact C-N 3.33Å
292	L	96	Very high	95.2	Very high	36 Å²	36	52.9 Å²	52.9	19%	0.188	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-80	-16	177.4	-54.6	-179.2	0	0	0	112.6	L213 W259 L289 R290 T294 K297	L213-L292 HydrophobicContact CB-CD1 4.09Å; W259-L292 HydrophobicContact CH2-CB 4.14Å; W259-L292 HydrophobicContact CZ2-CB 3.95Å; L289-L292 HydrophobicContact CD2-CD1 3.94Å; L289-L292 WeakPolarHBondContact O-CA 3.47Å; L289-L292 VanDerWaalsContact O-CB 3.3Å; L289-L292 WeakPolarHBondContact O-CB 3.45Å; L289-L292 PolarHBondContact O-N 3.3Å; R290-L292 PolarHBondContact O-N 2.9Å; L292-T294 PolarHBondContact O-N 2.94Å; L292-K297 WeakPolarHBondContact O-CD 3.34Å; L292-K297 WeakPolarHBondContact O-CE 3.45Å; L292-K297 PolarHBondContact O-NZ 2.72Å
293	L	96	Very high	95.1	Very high	4 Å²	4	54.1 Å²	54.1	2%	0.021	30%	0.296	C	S	.	.			trans	-88.8	70.9	176.9	-66.6	174.7	0	0	0	110.6	W259 L289 R290 P291 L298 L304 L307 R308 L311	W259-L293 HydrophobicContact CD2-CD2 4.25Å; W259-L293 HydrophobicContact CE3-CD2 3.99Å; W259-L293 HydrophobicContact CH2-CD2 3.57Å; W259-L293 HydrophobicContact CH2-CG 3.81Å; W259-L293 HydrophobicContact CZ2-CD2 3.87Å; W259-L293 HydrophobicContact CZ2-CG 4.41Å; W259-L293 HydrophobicContact CZ3-CD1 4.39Å; W259-L293 HydrophobicContact CZ3-CD2 3.65Å; W259-L293 HydrophobicContact CZ3-CG 4.06Å; L289-L293 PolarHBondContact O-N 3.33Å; R290-L293 PolarHBondContact O-N 2.9Å; R290-L293 VanDerWaalsContact O-N 3.15Å; P291-L293 VanDerWaalsContact C-N 3.33Å; L293-L298 HydrophobicContact CB-CD2 4.43Å; L293-L304 HydrophobicContact CD2-CB 4.08Å; L293-L304 HydrophobicContact CD2-CD1 3.86Å; L293-L304 HydrophobicContact CD2-CG 4.46Å; L293-L307 HydrophobicContact CD1-CG 4.46Å; L293-R308 HydrophobicContact CB-CG 4.47Å; L293-R308 HydrophobicContact CD1-CB 3.76Å; L293-R308 HydrophobicContact CD1-CG 4.26Å; L293-L311 HydrophobicContact CD1-CD1 3.92Å
294	T	95	Very high	95.1	Very high	64 Å²	64	52.7 Å²	52.7	39%	0.393	29%	0.29	S	S	.	.			trans	-73.6	155.8	177.6	61.7	0	0	0	0	111.7	L292 V296 K297 L298	L292-T294 PolarHBondContact O-N 2.94Å; T294-V296 VanDerWaalsContact C-N 3.25Å; T294-V296 PolarHBondContact O-N 3.16Å; T294-K297 WeakPolarHBondContact O-CB 3.32Å; T294-K297 PolarHBondContact O-N 3.2Å; T294-L298 WeakPolarHBondContact O-CG 3.34Å; T294-L298 PolarHBondContact O-N 2.75Å; T294-L298 VanDerWaalsContact O-N 3.13Å
295	E	94.9	Very high	95.2	Very high	111 Å²	111	51.7 Å²	51.7	52%	0.519	28%	0.282	S	S	.	.	H	α-helix	trans	-52.7	-43.1	179	-57.2	-54.1	147.2	0	0	112.3	K297 L298 D299 R308	E295-K297 PolarHBondContact O-N 3.33Å; E295-L298 WeakPolarHBondContact O-CA 3.36Å; E295-L298 WeakPolarHBondContact O-CB 3.45Å; E295-L298 PolarHBondContact O-N 3.02Å; E295-D299 PolarHBondContact O-N 2.95Å; E295-R308 IonicContact OE1-CZ 2.94Å; E295-R308 IonicContact OE1-NH1 3.34Å; E295-R308 PolarHBondContact OE1-NH1 2.93Å; E295-R308 IonicContact OE1-NH2 3.93Å; E295-R308 PolarHBondContact OE1-NH2 3.11Å; E295-R308 IonicContact OE2-NH1 2.72Å
296	V	93.5	Very high	95.2	Very high	79 Å²	79	54.6 Å²	54.6	48%	0.479	30%	0.295	S	S	.	.	H	α-helix	trans	-59.2	-34.2	178.8	-161.6	0	0	0	0	112.2	V250 T294 V300	V250-V296 HydrophobicContact CB-CG1 4.27Å; V250-V296 HydrophobicContact CG1-CB 4.09Å; V250-V296 HydrophobicContact CG1-CG1 3.6Å; V250-V296 HydrophobicContact CG2-CG1 3.78Å; T294-V296 VanDerWaalsContact C-N 3.25Å; T294-V296 PolarHBondContact O-N 3.16Å; V296-V300 WeakPolarHBondContact O-CG2 3.14Å; V296-V300 PolarHBondContact O-N 3.48Å
297	K	93.7	Very high	95.1	Very high	13 Å²	13	54.7 Å²	54.7	6%	0.057	30%	0.295	C	S	.	.	H	α-helix	trans	-75	-34.8	175.3	-68.6	-171.7	-169.1	171.6	0	112.3	V250 I251 E255 L292 T294 E295 D299 V300 L301	V250-K297 HydrophobicContact CG1-CG 4.37Å; I251-K297 HydrophobicContact CD1-CB 3.89Å; I251-K297 HydrophobicContact CD1-CG 4.03Å; I251-K297 HydrophobicContact CG1-CB 4.26Å; I251-K297 HydrophobicContact CG1-CD 4.31Å; I251-K297 HydrophobicContact CG1-CG 3.85Å; E255-K297 VanDerWaalsContact OE1-CE 3.29Å; E255-K297 WeakPolarHBondContact OE1-CE 3.25Å; E255-K297 IonicContact OE1-NZ 3.97Å; E255-K297 PolarHBondContact OE1-NZ 3.29Å; L292-K297 WeakPolarHBondContact O-CD 3.34Å; L292-K297 WeakPolarHBondContact O-CE 3.45Å; L292-K297 PolarHBondContact O-NZ 2.72Å; T294-K297 WeakPolarHBondContact O-CB 3.32Å; T294-K297 PolarHBondContact O-N 3.2Å; E295-K297 PolarHBondContact O-N 3.33Å; K297-D299 VanDerWaalsContact C-N 3.32Å; K297-V300 PolarHBondContact O-N 2.93Å; K297-L301 PolarHBondContact O-N 3.32Å
298	L	94.9	Very high	95.1	Very high	7 Å²	7	56.7 Å²	56.7	4%	0.037	30%	0.301	C	S	.	.	H	α-helix	trans	-67.3	-36.8	176.7	-57.9	-175.9	0	0	0	111.1	L293 T294 E295 L301 P302 L304 I305	L293-L298 HydrophobicContact CB-CD2 4.43Å; T294-L298 WeakPolarHBondContact O-CG 3.34Å; T294-L298 PolarHBondContact O-N 2.75Å; T294-L298 VanDerWaalsContact O-N 3.13Å; E295-L298 WeakPolarHBondContact O-CA 3.36Å; E295-L298 WeakPolarHBondContact O-CB 3.45Å; E295-L298 PolarHBondContact O-N 3.02Å; L298-L301 CarbonylContact O-C 3.54Å; L298-L301 VanDerWaalsContact O-C 3.25Å; L298-L301 PolarHBondContact O-N 3.29Å; L298-P302 VanDerWaalsContact O-CA 3.25Å; L298-P302 WeakPolarHBondContact O-CA 3.5Å; L298-L304 HydrophobicContact CD2-CB 3.54Å; L298-I305 HydrophobicContact CB-CG1 3.98Å; L298-I305 HydrophobicContact CD1-CG1 4.31Å; L298-I305 HydrophobicContact CD2-CG1 4.32Å; L298-I305 HydrophobicContact CG-CG1 4.42Å
299	D	93.7	Very high	95.1	Very high	126 Å²	126	59.4 Å²	59.4	67%	0.674	31%	0.308	S	S	*	.	H	α-helix	trans	-63.6	-41.2	175.7	-67.4	-25.3	0	0	0	111.9	E295 K297	E295-D299 PolarHBondContact O-N 2.95Å; K297-D299 VanDerWaalsContact C-N 3.32Å
300	V	92.2	Very high	95	Very high	87 Å²	87	60.6 Å²	60.6	53%	0.527	31%	0.313	S	S	.	.	H	α-helix	trans	-76.8	-34.2	178.9	175.3	0	0	0	0	112.2	V250 I251 V296 K297	V250-V300 HydrophobicContact CB-CG2 4.35Å; I251-V300 HydrophobicContact CD1-CB 4.25Å; I251-V300 HydrophobicContact CD1-CG1 4.2Å; V296-V300 WeakPolarHBondContact O-CG2 3.14Å; V296-V300 PolarHBondContact O-N 3.48Å; K297-V300 PolarHBondContact O-N 2.93Å
301	L	92	Very high	95	Very high	35 Å²	35	56.8 Å²	56.8	18%	0.183	30%	0.299	C	S	.	.			trans	-131.8	79.9	-178.5	-165.8	60.6	0	0	0	111.3	I251 W259 L260 K297 L298 V303 L304	I251-L301 HydrophobicContact CD1-CB 3.98Å; W259-L301 HydrophobicContact CB-CD2 4.48Å; L260-L301 HydrophobicContact CD2-CD1 4.3Å; L260-L301 HydrophobicContact CD2-CD2 4.18Å; L260-L301 HydrophobicContact CG-CD2 4.38Å; K297-L301 PolarHBondContact O-N 3.32Å; L298-L301 CarbonylContact O-C 3.54Å; L298-L301 VanDerWaalsContact O-C 3.25Å; L298-L301 PolarHBondContact O-N 3.29Å; L301-V303 HydrophobicContact CD1-CG2 3.88Å; L301-V303 HydrophobicContact CD2-CG2 4.36Å; L301-V303 HydrophobicContact CG-CG2 3.7Å; L301-V303 PolarHBondContact O-N 3.05Å; L301-V303 VanDerWaalsContact O-N 3.08Å; L301-L304 HydrophobicContact CB-CD1 4.09Å; L301-L304 HydrophobicContact CB-CG 4.08Å; L301-L304 HydrophobicContact CD2-CD1 3.86Å; L301-L304 HydrophobicContact CD2-CD2 4.02Å; L301-L304 HydrophobicContact CD2-CG 3.81Å; L301-L304 HydrophobicContact CG-CD1 4.24Å; L301-L304 HydrophobicContact CG-CD2 4.44Å; L301-L304 HydrophobicContact CG-CG 3.89Å; L301-L304 WeakPolarHBondContact O-CB 3.28Å; L301-L304 WeakPolarHBondContact O-CG 3.5Å; L301-L304 PolarHBondContact O-N 2.98Å
302	P	94.8	Very high	95	Very high	78 Å²	78	55.5 Å²	55.5	51%	0.506	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-26.1	-171.9	-29	36.7	0	0	0	115.5	L298 L304 I305	L298-P302 VanDerWaalsContact O-CA 3.25Å; L298-P302 WeakPolarHBondContact O-CA 3.5Å; P302-L304 PolarHBondContact O-N 3.04Å; P302-L304 VanDerWaalsContact O-N 3.08Å; P302-I305 HydrophobicContact CB-CD1 4.29Å; P302-I305 VanDerWaalsContact O-CB 3.25Å; P302-I305 WeakPolarHBondContact O-CB 3.36Å; P302-I305 VanDerWaalsContact O-CG1 3.24Å; P302-I305 WeakPolarHBondContact O-CG1 3.29Å; P302-I305 PolarHBondContact O-N 2.9Å
303	V	93.1	Very high	94.9	Very high	52 Å²	52	57 Å²	57	32%	0.315	29%	0.29	S	S	.	.	H	α-helix	trans	-58	-23	174.7	-64	0	0	0	0	112.8	L260 F263 L301 I305 D306	L260-V303 HydrophobicContact CD2-CG2 4.06Å; F263-V303 HydrophobicContact CD2-CB 4.24Å; F263-V303 WeakPolarHBondContact CD2-O 3.17Å; F263-V303 HydrophobicContact CE2-CB 4.02Å; F263-V303 WeakPolarHBondContact CE2-O 3.45Å; F263-V303 HydrophobicContact CZ-CB 4.23Å; L301-V303 HydrophobicContact CD1-CG2 3.88Å; L301-V303 HydrophobicContact CD2-CG2 4.36Å; L301-V303 HydrophobicContact CG-CG2 3.7Å; L301-V303 PolarHBondContact O-N 3.05Å; L301-V303 VanDerWaalsContact O-N 3.08Å; V303-I305 PolarHBondContact O-N 2.74Å; V303-D306 PolarHBondContact O-N 2.79Å
304	L	95.7	Very high	94.7	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-73.6	-13.3	176.8	-57.4	-170.9	0	0	0	113.7	W259 L293 L298 L301 P302 D306 L307 R308	W259-L304 HydrophobicContact CB-CD1 4.19Å; W259-L304 HydrophobicContact CB-CD2 3.74Å; W259-L304 HydrophobicContact CD2-CD1 4.27Å; W259-L304 HydrophobicContact CG-CD1 3.98Å; W259-L304 HydrophobicContact CG-CD2 4.25Å; L293-L304 HydrophobicContact CD2-CB 4.08Å; L293-L304 HydrophobicContact CD2-CD1 3.86Å; L293-L304 HydrophobicContact CD2-CG 4.46Å; L298-L304 HydrophobicContact CD2-CB 3.54Å; L301-L304 HydrophobicContact CB-CD1 4.09Å; L301-L304 HydrophobicContact CB-CG 4.08Å; L301-L304 HydrophobicContact CD2-CD1 3.86Å; L301-L304 HydrophobicContact CD2-CD2 4.02Å; L301-L304 HydrophobicContact CD2-CG 3.81Å; L301-L304 HydrophobicContact CG-CD1 4.24Å; L301-L304 HydrophobicContact CG-CD2 4.44Å; L301-L304 HydrophobicContact CG-CG 3.89Å; L301-L304 WeakPolarHBondContact O-CB 3.28Å; L301-L304 WeakPolarHBondContact O-CG 3.5Å; L301-L304 PolarHBondContact O-N 2.98Å; P302-L304 PolarHBondContact O-N 3.04Å; P302-L304 VanDerWaalsContact O-N 3.08Å; L304-D306 VanDerWaalsContact C-N 3.31Å; L304-L307 HydrophobicContact CD2-CD2 4.09Å; L304-L307 PolarHBondContact O-N 2.92Å; L304-R308 WeakPolarHBondContact O-CB 3.37Å; L304-R308 PolarHBondContact O-N 2.96Å
305	I	97.2	Very high	94.6	Very high	62 Å²	62	55.4 Å²	55.4	32%	0.318	28%	0.282	S	S	.	.	H	α-helix	trans	-62	-45.1	174.4	-64.7	168.9	0	0	0	109.4	L298 P302 V303 L307 R308 R309	L298-I305 HydrophobicContact CB-CG1 3.98Å; L298-I305 HydrophobicContact CD1-CG1 4.31Å; L298-I305 HydrophobicContact CD2-CG1 4.32Å; L298-I305 HydrophobicContact CG-CG1 4.42Å; P302-I305 HydrophobicContact CB-CD1 4.29Å; P302-I305 VanDerWaalsContact O-CB 3.25Å; P302-I305 WeakPolarHBondContact O-CB 3.36Å; P302-I305 VanDerWaalsContact O-CG1 3.24Å; P302-I305 WeakPolarHBondContact O-CG1 3.29Å; P302-I305 PolarHBondContact O-N 2.9Å; V303-I305 PolarHBondContact O-N 2.74Å; I305-L307 VanDerWaalsContact C-N 3.35Å; I305-R308 PolarHBondContact O-N 2.89Å; I305-R309 WeakPolarHBondContact O-CG 3.17Å; I305-R309 PolarHBondContact O-N 3.32Å
306	D	96.5	Very high	94.5	Very high	75 Å²	75	56.6 Å²	56.6	40%	0.401	29%	0.292	S	S	.	.	H	α-helix	trans	-70.8	-34.5	179	-63.8	-38.7	0	0	0	111.6	L267 V303 L304 R309 F310	L267-D306 HydrophobicContact CD1-CB 4.01Å; V303-D306 PolarHBondContact O-N 2.79Å; L304-D306 VanDerWaalsContact C-N 3.31Å; D306-R309 PolarHBondContact O-N 3.37Å; D306-R309 IonicContact OD1-CZ 3.55Å; D306-R309 IonicContact OD1-NH1 3.63Å; D306-R309 PolarHBondContact OD1-NH1 3.41Å; D306-F310 WeakPolarHBondContact O-CB 3.46Å; D306-F310 PolarHBondContact O-N 3.28Å
307	L	96.5	Very high	94.1	Very high	2 Å²	2	56.3 Å²	56.3	1%	0.01	29%	0.287	C	S	.	.	H	α-helix	trans	-61.7	-44.4	170.8	-176.3	60.7	0	0	0	111.6	W259 L266 L267 L293 L304 I305 F310 L311	W259-L307 HydrophobicContact CE3-CD2 3.71Å; W259-L307 HydrophobicContact CZ3-CD2 3.97Å; L266-L307 HydrophobicContact CD1-CD1 3.73Å; L267-L307 HydrophobicContact CD1-CB 4.25Å; L293-L307 HydrophobicContact CD1-CG 4.46Å; L304-L307 HydrophobicContact CD2-CD2 4.09Å; L304-L307 PolarHBondContact O-N 2.92Å; I305-L307 VanDerWaalsContact C-N 3.35Å; L307-F310 HydrophobicContact CD1-CD1 4.48Å; L307-F310 WeakPolarHBondContact O-CB 3.26Å; L307-F310 PolarHBondContact O-N 3.46Å; L307-L311 WeakPolarHBondContact O-CG 3.23Å; L307-L311 PolarHBondContact O-N 3.24Å
308	R	96.9	Very high	93.1	Very high	75 Å²	75	62.7 Å²	62.7	28%	0.283	32%	0.317	S	S	.	.	H	α-helix	trans	-61.4	-47.3	175.7	-173.1	175.6	174.2	-168.6	3.5	111	L293 E295 L304 I305 F310 L311 E312	L293-R308 HydrophobicContact CB-CG 4.47Å; L293-R308 HydrophobicContact CD1-CB 3.76Å; L293-R308 HydrophobicContact CD1-CG 4.26Å; E295-R308 IonicContact OE1-CZ 2.94Å; E295-R308 IonicContact OE1-NH1 3.34Å; E295-R308 PolarHBondContact OE1-NH1 2.93Å; E295-R308 IonicContact OE1-NH2 3.93Å; E295-R308 PolarHBondContact OE1-NH2 3.11Å; E295-R308 IonicContact OE2-NH1 2.72Å; L304-R308 WeakPolarHBondContact O-CB 3.37Å; L304-R308 PolarHBondContact O-N 2.96Å; I305-R308 PolarHBondContact O-N 2.89Å; R308-F310 VanDerWaalsContact C-N 3.3Å; R308-F310 PolarHBondContact O-N 3.01Å; R308-L311 PolarHBondContact O-N 3.42Å; R308-L311 VanDerWaalsContact O-N 3.14Å; R308-E312 WeakPolarHBondContact O-CG 3.44Å; R308-E312 PolarHBondContact O-N 3.33Å
309	R	95.9	Very high	91.7	Very high	159 Å²	159	67.5 Å²	67.5	60%	0.6	35%	0.352	S	S	*	.	H	α-helix	trans	-56.9	-43.7	176	-72.9	170.1	177.7	165.8	-3.9	111.8	I305 D306 E312 H313	I305-R309 WeakPolarHBondContact O-CG 3.17Å; I305-R309 PolarHBondContact O-N 3.32Å; D306-R309 PolarHBondContact O-N 3.37Å; D306-R309 IonicContact OD1-CZ 3.55Å; D306-R309 IonicContact OD1-NH1 3.63Å; D306-R309 PolarHBondContact OD1-NH1 3.41Å; R309-E312 PolarHBondContact O-N 3.01Å; R309-H313 WeakPolarHBondContact O-CB 3.44Å; R309-H313 PolarHBondContact O-N 3.41Å
310	F	95.4	Very high	90	Very high	27 Å²	27	66.3 Å²	66.3	12%	0.118	34%	0.338	C	S	.	.	H	α-helix	trans	-59.8	-45.8	175.1	170.9	-95.5	0	0	0	112	L266 L267 D306 L307 R308 E312 H313 L314 Y320	L266-F310 HydrophobicContact CB-CE1 4.28Å; L266-F310 HydrophobicContact CD1-CD1 4.46Å; L266-F310 HydrophobicContact CD1-CE1 4.1Å; L266-F310 HydrophobicContact CD2-CE1 4.21Å; L266-F310 HydrophobicContact CD2-CZ 4.41Å; L266-F310 HydrophobicContact CG-CE1 4.43Å; L267-F310 HydrophobicContact CD1-CB 4.48Å; L267-F310 HydrophobicContact CD2-CB 3.93Å; L267-F310 HydrophobicContact CD2-CD2 3.88Å; L267-F310 HydrophobicContact CD2-CG 3.96Å; D306-F310 WeakPolarHBondContact O-CB 3.46Å; D306-F310 PolarHBondContact O-N 3.28Å; L307-F310 HydrophobicContact CD1-CD1 4.48Å; L307-F310 WeakPolarHBondContact O-CB 3.26Å; L307-F310 PolarHBondContact O-N 3.46Å; R308-F310 VanDerWaalsContact C-N 3.3Å; R308-F310 PolarHBondContact O-N 3.01Å; F310-E312 PolarHBondContact O-N 3.29Å; F310-H313 PolarHBondContact O-N 3.09Å; F310-L314 HydrophobicContact CE1-CD2 4.41Å; F310-L314 WeakPolarHBondContact O-CB 3.09Å; F310-L314 PolarHBondContact O-N 2.9Å; F310-Y320 AromaticContact CE2-CD1 3.91Å; F310-Y320 HydrophobicContact CE2-CD1 3.91Å; F310-Y320 HydrophobicContact CE2-CE1 4.2Å
311	L	95.9	Very high	88.2	Confident	1 Å²	1	64.1 Å²	64.1	1%	0.005	33%	0.334	C	S	.	.	H	α-helix	trans	-66.7	-35.8	178.3	-66.1	177.6	0	0	0	112.7	L286 L287 L289 R290 L293 L307 R308 L314 S315	L286-L311 HydrophobicContact CB-CD2 3.88Å; L287-L311 VanDerWaalsContact CD2-O 3.22Å; L287-L311 WeakPolarHBondContact CD2-O 3.45Å; L289-L311 HydrophobicContact CB-CD1 4.01Å; R290-L311 HydrophobicContact CG-CB 3.63Å; R290-L311 HydrophobicContact CG-CD1 4.1Å; R290-L311 HydrophobicContact CG-CG 4.5Å; L293-L311 HydrophobicContact CD1-CD1 3.92Å; L307-L311 WeakPolarHBondContact O-CG 3.23Å; L307-L311 PolarHBondContact O-N 3.24Å; R308-L311 PolarHBondContact O-N 3.42Å; R308-L311 VanDerWaalsContact O-N 3.14Å; L311-L314 HydrophobicContact CD2-CD2 4.46Å; L311-S315 PolarHBondContact O-N 3.33Å
312	E	95.1	Very high	85.8	Confident	72 Å²	72	65.7 Å²	65.7	34%	0.336	36%	0.358	S	S	.	.	H	α-helix	trans	-65.2	-44	172.9	-64.7	-51.5	161.7	0	0	111.3	R290 R308 R309 F310 L314 S315 L316	R290-E312 WeakPolarHBondContact CD-OE2 3.2Å; R290-E312 IonicContact CZ-OE2 3.02Å; R290-E312 IonicContact NH1-OE2 3.93Å; R290-E312 PolarHBondContact NH1-OE2 2.63Å; R308-E312 WeakPolarHBondContact O-CG 3.44Å; R308-E312 PolarHBondContact O-N 3.33Å; R309-E312 PolarHBondContact O-N 3.01Å; F310-E312 PolarHBondContact O-N 3.29Å; E312-L314 PolarHBondContact O-N 2.88Å; E312-S315 WeakPolarHBondContact O-CB 3.34Å; E312-S315 PolarHBondContact O-N 2.9Å; E312-S315 VanDerWaalsContact O-N 3.11Å; E312-S315 PolarHBondContact O-OG 3.03Å; E312-L316 PolarHBondContact O-N 2.76Å
313	H	93.6	Very high	83.4	Confident	68 Å²	68	68.4 Å²	68.4	32%	0.315	37%	0.374	S	S	.	.	H	α-helix	trans	-65	-41.3	177.5	-166.6	86.2	0	0	0	112.2	R309 F310 S315 L316 N317 Y320	R309-H313 WeakPolarHBondContact O-CB 3.44Å; R309-H313 PolarHBondContact O-N 3.41Å; F310-H313 PolarHBondContact O-N 3.09Å; H313-S315 VanDerWaalsContact C-N 3.26Å; H313-S315 PolarHBondContact O-N 3.3Å; H313-L316 PolarHBondContact O-N 3.32Å; H313-N317 PolarHBondContact CE1-ND2 3.21Å; H313-N317 PolarHBondContact NE2-ND2 3.11Å; H313-N317 PolarHBondContact O-N 3.45Å; H313-Y320 AromaticContact CD2-CD2 3.77Å; H313-Y320 AromaticContact CD2-CE2 2.98Å; H313-Y320 WeakPolarHBondContact CD2-CE2 3.29Å; H313-Y320 AromaticContact CD2-CZ 3.18Å; H313-Y320 PolarHBondContact CD2-OH 3.23Å; H313-Y320 AromaticContact NE2-CE2 3Å; H313-Y320 WeakPolarHBondContact NE2-CE2 3.33Å; H313-Y320 AromaticContact NE2-CZ 3.38Å; H313-Y320 PolarHBondContact NE2-OH 2.61Å; H313-Y320 VanDerWaalsContact NE2-OH 3.1Å
314	L	92.8	Very high	81.4	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-56.4	-44.7	171.4	-176.5	66.2	0	0	0	109.4	C277 R283 L286 L287 F310 L311 E312 L316 N317	C277-L314 HydrophobicContact CB-CD1 3.97Å; C277-L314 HydrophobicContact CB-CD2 4.42Å; R283-L314 HydrophobicContact CG-CD2 4.42Å; R283-L314 HydrophobicContact CG-CG 4.38Å; R283-L314 PolarHBondContact NH1-O 3.38Å; R283-L314 PolarHBondContact NH2-O 3.25Å; L286-L314 HydrophobicContact CB-CD2 4.21Å; L286-L314 HydrophobicContact CD1-CD2 4.1Å; L287-L314 HydrophobicContact CD2-CB 4.34Å; L287-L314 HydrophobicContact CD2-CD2 4.27Å; L287-L314 HydrophobicContact CD2-CG 4.33Å; L287-L314 HydrophobicContact CG-CD2 4.46Å; F310-L314 HydrophobicContact CE1-CD2 4.41Å; F310-L314 WeakPolarHBondContact O-CB 3.09Å; F310-L314 PolarHBondContact O-N 2.9Å; L311-L314 HydrophobicContact CD2-CD2 4.46Å; E312-L314 PolarHBondContact O-N 2.88Å; L314-L316 PolarHBondContact O-N 3.02Å; L314-N317 CarbonylContact O-C 3.56Å; L314-N317 PolarHBondContact O-N 3.48Å
315	S	92.7	Very high	79.2	Confident	35 Å²	35	76.6 Å²	76.6	25%	0.245	42%	0.42	C	S	.	.	H	α-helix	trans	-59.3	-32.6	-179.3	84.4	0	0	0	0	114	R283 R290 L311 E312 H313	R283-S315 PolarHBondContact NH2-O 3.19Å; R283-S315 VanDerWaalsContact NH2-O 3.15Å; R290-S315 PolarHBondContact NH1-OG 3.05Å; L311-S315 PolarHBondContact O-N 3.33Å; E312-S315 WeakPolarHBondContact O-CB 3.34Å; E312-S315 PolarHBondContact O-N 2.9Å; E312-S315 VanDerWaalsContact O-N 3.11Å; E312-S315 PolarHBondContact O-OG 3.03Å; H313-S315 VanDerWaalsContact C-N 3.26Å; H313-S315 PolarHBondContact O-N 3.3Å
316	L	91.8	Very high	77	Confident	136 Å²	136	83.1 Å²	83.1	71%	0.712	45%	0.446	S	S	*	.	H	α-helix	trans	-85.2	-34.5	-179.7	-61.8	173.6	0	0	0	112.8	E312 H313 L314	E312-L316 PolarHBondContact O-N 2.76Å; H313-L316 PolarHBondContact O-N 3.32Å; L314-L316 PolarHBondContact O-N 3.02Å
317	N	86.6	Confident	74.9	Confident	72 Å²	72	85.8 Å²	85.8	39%	0.385	46%	0.459	S	S	.	.			trans	-115.7	116.2	-173.5	-69.5	-32.4	0	0	0	111.3	R283 H313 L314 S319 Y320	R283-N317 PolarHBondContact NH1-O 3.48Å; H313-N317 PolarHBondContact CE1-ND2 3.21Å; H313-N317 PolarHBondContact NE2-ND2 3.11Å; H313-N317 PolarHBondContact O-N 3.45Å; L314-N317 CarbonylContact O-C 3.56Å; L314-N317 PolarHBondContact O-N 3.48Å; N317-S319 VanDerWaalsContact C-N 3.29Å; N317-S319 PolarHBondContact O-N 3.46Å; N317-Y320 HydrophobicContact CB-CD2 4.16Å; N317-Y320 HydrophobicContact CB-CE2 4.44Å
318	E	72	Confident	72.9	Confident	147 Å²	147	90.5 Å²	90.5	69%	0.687	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-25.4	176.3	-66.6	-173.4	164.4	0	0	112.5	Y320	E318-Y320 VanDerWaalsContact C-N 3.31Å; E318-Y320 PolarHBondContact O-N 2.93Å; E318-Y320 VanDerWaalsContact O-N 3.17Å
319	S	65.7	Low	70.8	Confident	109 Å²	109	95.9 Å²	95.9	76%	0.762	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	27.5	-170.3	-44.9	0	0	0	0	115.6	N317 G321	N317-S319 VanDerWaalsContact C-N 3.29Å; N317-S319 PolarHBondContact O-N 3.46Å; S319-G321 PolarHBondContact O-N 3.36Å; S319-G321 VanDerWaalsContact O-N 3.14Å
320	Y	58	Low	68.8	Low	100 Å²	100	93.7 Å²	93.7	39%	0.392	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	88.3	170.5	-99.7	-106.8	0	0	0	110.1	S278 F310 H313 N317 E318	S278-Y320 PolarHBondContact N-O 3.45Å; F310-Y320 AromaticContact CE2-CD1 3.91Å; F310-Y320 HydrophobicContact CE2-CD1 3.91Å; F310-Y320 HydrophobicContact CE2-CE1 4.2Å; H313-Y320 AromaticContact CD2-CD2 3.77Å; H313-Y320 AromaticContact CD2-CE2 2.98Å; H313-Y320 WeakPolarHBondContact CD2-CE2 3.29Å; H313-Y320 AromaticContact CD2-CZ 3.18Å; H313-Y320 PolarHBondContact CD2-OH 3.23Å; H313-Y320 AromaticContact NE2-CE2 3Å; H313-Y320 WeakPolarHBondContact NE2-CE2 3.33Å; H313-Y320 AromaticContact NE2-CZ 3.38Å; H313-Y320 PolarHBondContact NE2-OH 2.61Å; H313-Y320 VanDerWaalsContact NE2-OH 3.1Å; N317-Y320 HydrophobicContact CB-CD2 4.16Å; N317-Y320 HydrophobicContact CB-CE2 4.44Å; E318-Y320 VanDerWaalsContact C-N 3.31Å; E318-Y320 PolarHBondContact O-N 2.93Å; E318-Y320 VanDerWaalsContact O-N 3.17Å
321	G	54.3	Low	67.4	Low	42 Å²	42	96.2 Å²	96.2	43%	0.433	54%	0.537	S	S	.	.	T	Hydrogen-bonded Turn	trans	148	8.9	176.8	0	0	0	0	0	116.8	S319 T323	S319-G321 PolarHBondContact O-N 3.36Å; S319-G321 VanDerWaalsContact O-N 3.14Å; G321-T323 PolarHBondContact O-N 2.95Å; G321-T323 VanDerWaalsContact O-N 3.07Å
322	G	42.1	Very low	66.1	Low	67 Å²	67	103.6 Å²	103.6	69%	0.691	58%	0.575	S	S	*	*			trans	-74.5	97.5	-174.7	0	0	0	0	0	114.3
323	T	44.2	Very low	65.1	Low	136 Å²	136	104.4 Å²	104.4	83%	0.834	58%	0.578	S	S	*	*				158.1	88.5	127.1	52.6	0	0	0	0	109.2	G321	G321-T323 PolarHBondContact O-N 2.95Å; G321-T323 VanDerWaalsContact O-N 3.07Å
324	S	51.4	Low	64.5	Low	55 Å²	55	102.4 Å²	102.4	39%	0.385	57%	0.573	S	S	.	*			trans	-137.5	4.5	169.8	78.2	0	0	0	0	116.4	K326 I327	S324-K326 PolarHBondContact O-N 3.41Å; S324-I327 PolarHBondContact O-N 3.3Å
325	D	49.2	Very low	64	Low	169 Å²	169	106 Å²	106	90%	0.904	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.9	-19.4	172.9	-76.3	-13.9	0	0	0	113.4
326	K	50	Low	63.8	Low	199 Å²	199	104.9 Å²	104.9	87%	0.865	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.6	-6.1	-179.7	-70	-172.8	177.1	-179.2	0	116.2	S324	S324-K326 PolarHBondContact O-N 3.41Å
327	I	53.3	Low	63.8	Low	131 Å²	131	104.6 Å²	104.6	67%	0.672	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.3	-16.2	-174.5	-61.5	176.2	0	0	0	112.9	S324 M329	S324-I327 PolarHBondContact O-N 3.3Å; I327-M329 VanDerWaalsContact C-N 3.25Å; I327-M329 PolarHBondContact O-N 3.26Å; I327-M329 VanDerWaalsContact O-N 3.07Å
328	N	54.7	Low	64.3	Low	101 Å²	101	102.1 Å²	102.1	54%	0.54	57%	0.569	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83	23	-173.6	-70.4	-26.9	0	0	0	115.5	C330 L331	N328-C330 VanDerWaalsContact C-N 3.33Å; N328-C330 PolarHBondContact O-N 2.82Å; N328-L331 HydrophobicContact CB-CD1 4.08Å
329	M	52.1	Low	65.4	Low	187 Å²	187	98.3 Å²	98.3	92%	0.921	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-17.1	-168.6	-147	172.6	95	0	0	114.9	I327	I327-M329 VanDerWaalsContact C-N 3.25Å; I327-M329 PolarHBondContact O-N 3.26Å; I327-M329 VanDerWaalsContact O-N 3.07Å
330	C	54.9	Low	66.8	Low	113 Å²	113	98.2 Å²	98.2	76%	0.764	54%	0.536	S	S	*	.	S	Bend	trans	-164.5	119	167.7	-171.4	0	0	0	0	109.1	N328	N328-C330 VanDerWaalsContact C-N 3.33Å; N328-C330 PolarHBondContact O-N 2.82Å
331	L	65.4	Low	68.7	Low	81 Å²	81	96.7 Å²	96.7	42%	0.424	54%	0.54	S	S	.	.			trans	-118.4	123.1	-173.3	-65.6	163.5	0	0	0	109.7	R197 N328	R197-L331 VanDerWaalsContact NH2-CD1 3.31Å; N328-L331 HydrophobicContact CB-CD1 4.08Å
332	I	68.6	Low	70.7	Confident	156 Å²	156	94.9 Å²	94.9	80%	0.8	52%	0.52	S	S	*	.			trans	-100.6	112.1	172.9	-57.7	176.2	0	0	0	107
333	E	75.1	Confident	73.3	Confident	88 Å²	88	94.3 Å²	94.3	41%	0.411	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-99.8	134.6	174.1	-75.4	-174.4	-171.6	0	0	110.4	R197	R197-E333 IonicContact CZ-OE1 2.64Å; R197-E333 VanDerWaalsContact NH1-CD 3.29Å; R197-E333 IonicContact NH1-OE1 2.86Å; R197-E333 PolarHBondContact NH1-OE1 3.46Å; R197-E333 IonicContact NH2-OE1 2.99Å; R197-E333 PolarHBondContact NH2-OE1 3.48Å
334	A	79.1	Confident	75.8	Confident	26 Å²	26	92.1 Å²	92.1	22%	0.215	49%	0.493	C	S	.	.	P	Polyproline II helix	trans	-69.1	136.4	168.5	0	0	0	0	0	110	T116 H194 R198	T116-A334 HydrophobicContact CG2-CB 4.31Å; H194-A334 HydrophobicContact CB-CB 4.38Å; R198-A334 PolarHBondContact NH1-O 3.06Å
335	V	83.8	Confident	77.9	Confident	77 Å²	77	94.9 Å²	94.9	47%	0.467	50%	0.498	S	S	.	.	P	Polyproline II helix	trans	-98.4	136.3	179.7	177.7	0	0	0	0	108.5	E337 E340	V335-E337 PolarHBondContact O-N 2.94Å; V335-E340 HydrophobicContact CG1-CG 4.46Å; V335-E340 WeakPolarHBondContact CG1-OE1 3.41Å; V335-E340 WeakPolarHBondContact CG1-OE2 3.36Å
336	P	87.3	Confident	80.1	Confident	11 Å²	11	88.1 Å²	88.1	7%	0.071	46%	0.46	C	S	.	.			trans	-69	91.4	177.2	29.1	-35.5	0	0	0	111	T116 D117 I338 E340	T116-P336 HydrophobicContact CG2-CB 4.33Å; D117-P336 WeakPolarHBondContact OD1-CB 3.41Å; D117-P336 WeakPolarHBondContact OD2-CA 3.46Å; P336-I338 PolarHBondContact O-N 3.06Å; P336-E340 HydrophobicContact CG-CG 4.49Å; P336-E340 WeakPolarHBondContact O-CB 3.49Å; P336-E340 WeakPolarHBondContact O-CG 3.49Å; P336-E340 PolarHBondContact O-N 3.48Å
337	E	92.6	Very high	82.2	Confident	130 Å²	130	85.3 Å²	85.3	61%	0.607	45%	0.448	S	S	*	.	H	α-helix	trans	-64.8	-37.8	-171.8	-61.5	-168.2	166.8	0	0	112.9	D117 V335 S341	D117-E337 PolarHBondContact OD2-N 3.42Å; V335-E337 PolarHBondContact O-N 2.94Å; E337-S341 WeakPolarHBondContact O-CB 3.48Å; E337-S341 PolarHBondContact O-N 3.42Å
338	I	96.7	Very high	84.2	Confident	20 Å²	20	86.2 Å²	86.2	10%	0.103	45%	0.454	C	S	.	.	H	α-helix	trans	-66	-54	-173.9	-63.4	169.1	0	0	0	109.3	V54 H55 I58 D117 P336 E340 S341 L342	V54-I338 HydrophobicContact CG1-CD1 4.15Å; H55-I338 HydrophobicContact CB-CD1 4.02Å; H55-I338 HydrophobicContact CB-CG2 4.12Å; I58-I338 HydrophobicContact CB-CG2 3.85Å; I58-I338 HydrophobicContact CG1-CG2 4.19Å; I58-I338 HydrophobicContact CG2-CG2 3.94Å; D117-I338 HydrophobicContact CB-CB 4.41Å; D117-I338 HydrophobicContact CB-CD1 4.21Å; D117-I338 PolarHBondContact OD2-N 3.42Å; P336-I338 PolarHBondContact O-N 3.06Å; I338-E340 PolarHBondContact O-N 3.36Å; I338-S341 PolarHBondContact O-N 3.49Å; I338-L342 HydrophobicContact CG2-CD1 3.92Å; I338-L342 WeakPolarHBondContact O-CB 3.27Å; I338-L342 VanDerWaalsContact O-CG 3.31Å; I338-L342 WeakPolarHBondContact O-CG 3.43Å; I338-L342 PolarHBondContact O-N 2.94Å
339	R	96	Very high	86.2	Confident	67 Å²	67	86.6 Å²	86.6	25%	0.253	45%	0.451	S	S	.	.	H	α-helix	trans	-63	-44.5	-177.3	-166.3	178.1	-177.7	-83.2	-0.5	111.3	I58 L62 D117 L342 V343	I58-R339 HydrophobicContact CG2-CB 3.72Å; I58-R339 HydrophobicContact CG2-CG 3.95Å; L62-R339 HydrophobicContact CD1-CG 3.96Å; L62-R339 HydrophobicContact CD2-CG 4.16Å; L62-R339 HydrophobicContact CG-CG 4.25Å; D117-R339 WeakPolarHBondContact OD1-CB 3.32Å; D117-R339 PolarHBondContact OD1-N 3.35Å; R339-L342 PolarHBondContact O-N 3.02Å; R339-V343 WeakPolarHBondContact O-CB 3.38Å; R339-V343 VanDerWaalsContact O-CG2 3.28Å; R339-V343 WeakPolarHBondContact O-CG2 3.35Å; R339-V343 PolarHBondContact O-N 3.15Å
340	E	95.3	Very high	88.3	Confident	106 Å²	106	79.2 Å²	79.2	50%	0.495	41%	0.413	S	S	.	.	H	α-helix	trans	-64.9	-43.9	179.7	-71.5	-171.1	-178.1	0	0	112.3	V335 P336 I338 L342 V343 S344	V335-E340 HydrophobicContact CG1-CG 4.46Å; V335-E340 WeakPolarHBondContact CG1-OE1 3.41Å; V335-E340 WeakPolarHBondContact CG1-OE2 3.36Å; P336-E340 HydrophobicContact CG-CG 4.49Å; P336-E340 WeakPolarHBondContact O-CB 3.49Å; P336-E340 WeakPolarHBondContact O-CG 3.49Å; P336-E340 PolarHBondContact O-N 3.48Å; I338-E340 PolarHBondContact O-N 3.36Å; E340-L342 VanDerWaalsContact C-N 3.34Å; E340-L342 PolarHBondContact O-N 3.45Å; E340-V343 PolarHBondContact O-N 3.47Å; E340-S344 WeakPolarHBondContact O-CB 3.15Å; E340-S344 PolarHBondContact O-N 3.25Å
341	S	96.6	Very high	90.3	Very high	68 Å²	68	82.4 Å²	82.4	48%	0.476	41%	0.409	S	S	.	.	H	α-helix	trans	-57.9	-45.7	174.9	178.7	0	0	0	0	111.6	E337 I338 S344 K345	E337-S341 WeakPolarHBondContact O-CB 3.48Å; E337-S341 PolarHBondContact O-N 3.42Å; I338-S341 PolarHBondContact O-N 3.49Å; S341-S344 PolarHBondContact O-N 3.32Å; S341-K345 WeakPolarHBondContact O-CB 3.39Å; S341-K345 PolarHBondContact O-N 3.34Å
342	L	96.5	Very high	91.8	Very high	5 Å²	5	86.2 Å²	86.2	3%	0.026	42%	0.422	C	S	.	.	H	α-helix	trans	-64	-45.2	177.3	-74.3	168.3	0	0	0	112.4	Y6 I58 M59 L62 I338 R339 E340 S344 K345 Y346	Y6-L342 HydrophobicContact CE2-CD2 4.35Å; I58-L342 HydrophobicContact CG2-CD1 4.02Å; M59-L342 HydrophobicContact CB-CD1 4.42Å; M59-L342 HydrophobicContact CG-CD1 3.5Å; M59-L342 VanDerWaalsContact CG-CD1 3.5Å; M59-L342 HydrophobicContact CG-CD2 3.83Å; M59-L342 HydrophobicContact CG-CG 4.32Å; M59-L342 HydrophobicContact SD-CD2 4.32Å; L62-L342 HydrophobicContact CD1-CB 3.53Å; L62-L342 HydrophobicContact CD1-CD1 3.93Å; L62-L342 HydrophobicContact CD1-CG 4.39Å; I338-L342 HydrophobicContact CG2-CD1 3.92Å; I338-L342 WeakPolarHBondContact O-CB 3.27Å; I338-L342 VanDerWaalsContact O-CG 3.31Å; I338-L342 WeakPolarHBondContact O-CG 3.43Å; I338-L342 PolarHBondContact O-N 2.94Å; R339-L342 PolarHBondContact O-N 3.02Å; E340-L342 VanDerWaalsContact C-N 3.34Å; E340-L342 PolarHBondContact O-N 3.45Å; L342-S344 VanDerWaalsContact C-N 3.34Å; L342-S344 PolarHBondContact O-N 3.36Å; L342-K345 PolarHBondContact O-N 2.64Å; L342-Y346 HydrophobicContact CD2-CD2 4.27Å; L342-Y346 HydrophobicContact CD2-CE2 4Å; L342-Y346 WeakPolarHBondContact O-CD2 3.35Å; L342-Y346 PolarHBondContact O-N 3.08Å; L342-Y346 VanDerWaalsContact O-N 3.08Å
343	V	96.2	Very high	93.2	Very high	55 Å²	55	79.7 Å²	79.7	33%	0.333	39%	0.389	S	S	.	.	H	α-helix	trans	-61.6	-43.3	178	170.1	0	0	0	0	111.1	L62 R339 E340 K347	L62-V343 HydrophobicContact CD1-CG2 4.07Å; L62-V343 HydrophobicContact CD2-CG2 4.03Å; R339-V343 WeakPolarHBondContact O-CB 3.38Å; R339-V343 VanDerWaalsContact O-CG2 3.28Å; R339-V343 WeakPolarHBondContact O-CG2 3.35Å; R339-V343 PolarHBondContact O-N 3.15Å; E340-V343 PolarHBondContact O-N 3.47Å; V343-K347 PolarHBondContact O-N 3.47Å; V343-K347 VanDerWaalsContact O-N 3.09Å
344	S	96.5	Very high	94.2	Very high	90 Å²	90	75.5 Å²	75.5	63%	0.629	37%	0.37	S	S	*	.	H	α-helix	trans	-65.2	-50.1	177.3	-175.6	0	0	0	0	111.9	E340 S341 L342 Y346 K347	E340-S344 WeakPolarHBondContact O-CB 3.15Å; E340-S344 PolarHBondContact O-N 3.25Å; S341-S344 PolarHBondContact O-N 3.32Å; L342-S344 VanDerWaalsContact C-N 3.34Å; L342-S344 PolarHBondContact O-N 3.36Å; S344-Y346 VanDerWaalsContact C-N 3.34Å; S344-Y346 PolarHBondContact O-N 3.36Å; S344-K347 VanDerWaalsContact O-CB 3.31Å; S344-K347 WeakPolarHBondContact O-CB 3.21Å; S344-K347 PolarHBondContact O-N 2.68Å
345	K	96.1	Very high	95	Very high	113 Å²	113	77.4 Å²	77.4	49%	0.491	38%	0.378	S	S	.	.	H	α-helix	trans	-60.7	-38.8	-177.2	-179	176.7	-179.4	177.1	0	113.8	S341 L342 K349	S341-K345 WeakPolarHBondContact O-CB 3.39Å; S341-K345 PolarHBondContact O-N 3.34Å; L342-K345 PolarHBondContact O-N 2.64Å; K345-K349 PolarHBondContact O-NZ 3.43Å
346	Y	95.6	Very high	95.5	Very high	26 Å²	26	76.4 Å²	76.4	10%	0.102	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	11	-177.1	-67.3	-78.2	0	0	0	113.8	Y6 L342 S344 N348 K349 W350 L353	Y6-Y346 HydrophobicContact CD2-CD1 4.08Å; Y6-Y346 AromaticContact CD2-CD2 3.77Å; Y6-Y346 HydrophobicContact CD2-CD2 3.77Å; Y6-Y346 AromaticContact CD2-CE1 3.8Å; Y6-Y346 HydrophobicContact CD2-CE1 3.8Å; Y6-Y346 AromaticContact CD2-CE2 3.48Å; Y6-Y346 HydrophobicContact CD2-CE2 3.48Å; Y6-Y346 VanDerWaalsContact CD2-CE2 3.48Å; Y6-Y346 HydrophobicContact CD2-CG 4.06Å; Y6-Y346 AromaticContact CD2-CZ 3.49Å; Y6-Y346 VanDerWaalsContact CD2-CZ 3.49Å; Y6-Y346 AromaticContact CE2-CD2 3.7Å; Y6-Y346 HydrophobicContact CE2-CD2 3.7Å; Y6-Y346 AromaticContact CE2-CE2 3.7Å; Y6-Y346 HydrophobicContact CE2-CE2 3.7Å; Y6-Y346 HydrophobicContact CE2-CG 4.22Å; L342-Y346 HydrophobicContact CD2-CD2 4.27Å; L342-Y346 HydrophobicContact CD2-CE2 4Å; L342-Y346 WeakPolarHBondContact O-CD2 3.35Å; L342-Y346 PolarHBondContact O-N 3.08Å; L342-Y346 VanDerWaalsContact O-N 3.08Å; S344-Y346 VanDerWaalsContact C-N 3.34Å; S344-Y346 PolarHBondContact O-N 3.36Å; Y346-N348 PolarHBondContact O-N 3.48Å; Y346-K349 WeakPolarHBondContact O-CB 3.46Å; Y346-K349 PolarHBondContact O-N 2.73Å; Y346-W350 HydrophobicContact CD2-CH2 4.48Å; Y346-W350 HydrophobicContact CG-CH2 4.28Å; Y346-W350 HydrophobicContact CG-CZ3 4.36Å; Y346-W350 PolarHBondContact O-NE1 2.92Å; Y346-L353 HydrophobicContact CD1-CD1 3.64Å; Y346-L353 HydrophobicContact CE1-CD1 4.01Å; Y346-L353 HydrophobicContact CG-CD1 4.33Å
347	K	94.8	Very high	95.9	Very high	141 Å²	141	76 Å²	76	61%	0.613	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.4	127.9	172.6	-171.9	175.8	-179	178.2	0	110.4	V343 S344 K349	V343-K347 PolarHBondContact O-N 3.47Å; V343-K347 VanDerWaalsContact O-N 3.09Å; S344-K347 VanDerWaalsContact O-CB 3.31Å; S344-K347 WeakPolarHBondContact O-CB 3.21Å; S344-K347 PolarHBondContact O-N 2.68Å; K347-K349 PolarHBondContact O-N 2.9Å; K347-K349 VanDerWaalsContact O-N 3.09Å
348	N	94.7	Very high	95.9	Very high	149 Å²	149	71.5 Å²	71.5	80%	0.797	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	8	-177.5	-53.5	-25	0	0	0	116.2	Y346	Y346-N348 PolarHBondContact O-N 3.48Å
349	K	96.4	Very high	95.8	Very high	109 Å²	109	76.4 Å²	76.4	47%	0.474	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-4.3	179.2	-61.9	173.5	-168.7	160.9	0	113.3	K345 Y346 K347 R351 K352 L353	K345-K349 PolarHBondContact O-NZ 3.43Å; Y346-K349 WeakPolarHBondContact O-CB 3.46Å; Y346-K349 PolarHBondContact O-N 2.73Å; K347-K349 PolarHBondContact O-N 2.9Å; K347-K349 VanDerWaalsContact O-N 3.09Å; K349-R351 PolarHBondContact O-N 3.45Å; K349-K352 WeakPolarHBondContact O-CB 3.37Å; K349-K352 PolarHBondContact O-N 3.25Å; K349-K352 VanDerWaalsContact O-N 3.16Å; K349-L353 PolarHBondContact O-N 3.22Å
350	W	96.9	Very high	95.6	Very high	32 Å²	32	74.9 Å²	74.9	12%	0.121	36%	0.364	C	S	.	.	H	α-helix	trans	-58.5	-45.6	-175.8	-55.3	116.4	0	0	0	113.7	Y6 K66 V67 I70 Y346 K352 L353 A354	Y6-W350 HydrophobicContact CD2-CZ3 4.4Å; Y6-W350 HydrophobicContact CE2-CH2 4.21Å; Y6-W350 AromaticContact CE2-CZ3 3.8Å; Y6-W350 HydrophobicContact CE2-CZ3 3.8Å; K66-W350 HydrophobicContact CB-CB 4.26Å; K66-W350 HydrophobicContact CB-CD2 3.55Å; K66-W350 HydrophobicContact CB-CE3 3.58Å; K66-W350 HydrophobicContact CB-CG 3.86Å; K66-W350 HydrophobicContact CB-CZ3 4.11Å; K66-W350 HydrophobicContact CG-CD2 4.01Å; K66-W350 HydrophobicContact CG-CE3 4.26Å; K66-W350 HydrophobicContact CG-CG 4.43Å; K66-W350 HydrophobicContact CG-CH2 4.46Å; K66-W350 HydrophobicContact CG-CZ2 4.23Å; K66-W350 HydrophobicContact CG-CZ3 4.48Å; V67-W350 HydrophobicContact CG2-CE3 3.96Å; I70-W350 HydrophobicContact CD1-CB 4.16Å; Y346-W350 HydrophobicContact CD2-CH2 4.48Å; Y346-W350 HydrophobicContact CG-CH2 4.28Å; Y346-W350 HydrophobicContact CG-CZ3 4.36Å; Y346-W350 PolarHBondContact O-NE1 2.92Å; W350-K352 PolarHBondContact O-N 2.94Å; W350-L353 HydrophobicContact CE3-CD1 4.12Å; W350-L353 HydrophobicContact CZ3-CD1 4.38Å; W350-L353 WeakPolarHBondContact O-CB 3.41Å; W350-L353 PolarHBondContact O-N 3.42Å; W350-A354 PolarHBondContact O-N 2.95Å
351	R	96.8	Very high	95.5	Very high	180 Å²	180	70.6 Å²	70.6	68%	0.679	35%	0.345	S	S	*	.	H	α-helix	trans	-64.6	-40	176.3	-175	172.9	-76.4	166.3	-4.7	111.8	I70 K349 L353 A354 T355	I70-R351 HydrophobicContact CD1-CB 4.28Å; K349-R351 PolarHBondContact O-N 3.45Å; R351-L353 VanDerWaalsContact C-N 3.3Å; R351-L353 PolarHBondContact O-N 3.35Å; R351-A354 WeakPolarHBondContact O-CB 3.46Å; R351-A354 PolarHBondContact O-N 3.11Å; R351-A354 VanDerWaalsContact O-N 3.15Å; R351-T355 PolarHBondContact O-N 3.01Å; R351-T355 PolarHBondContact O-OG1 2.76Å
352	K	96.5	Very high	95.2	Very high	162 Å²	162	70.5 Å²	70.5	70%	0.704	34%	0.337	S	S	*	.	H	α-helix	trans	-61.1	-39.5	174.3	-176.2	177.9	179.8	175.9	0	111.7	K349 W350 L356	K349-K352 WeakPolarHBondContact O-CB 3.37Å; K349-K352 PolarHBondContact O-N 3.25Å; K349-K352 VanDerWaalsContact O-N 3.16Å; W350-K352 PolarHBondContact O-N 2.94Å; K352-L356 VanDerWaalsContact O-CB 3.23Å; K352-L356 WeakPolarHBondContact O-CB 3.31Å; K352-L356 PolarHBondContact O-N 3.49Å
353	L	96.9	Very high	95	Very high	18 Å²	18	72.4 Å²	72.4	9%	0.094	35%	0.351	C	S	.	.	H	α-helix	trans	-66.1	-38.2	174.4	-71.8	174.8	0	0	0	112.2	Y6 V67 Y346 K349 W350 R351 L356 F357	Y6-L353 HydrophobicContact CD2-CD1 3.82Å; Y6-L353 HydrophobicContact CG-CD1 4.25Å; V67-L353 HydrophobicContact CG2-CB 4.1Å; V67-L353 HydrophobicContact CG2-CD1 4.47Å; Y346-L353 HydrophobicContact CD1-CD1 3.64Å; Y346-L353 HydrophobicContact CE1-CD1 4.01Å; Y346-L353 HydrophobicContact CG-CD1 4.33Å; K349-L353 PolarHBondContact O-N 3.22Å; W350-L353 HydrophobicContact CE3-CD1 4.12Å; W350-L353 HydrophobicContact CZ3-CD1 4.38Å; W350-L353 WeakPolarHBondContact O-CB 3.41Å; W350-L353 PolarHBondContact O-N 3.42Å; R351-L353 VanDerWaalsContact C-N 3.3Å; R351-L353 PolarHBondContact O-N 3.35Å; L353-L356 HydrophobicContact CD2-CD2 4.48Å; L353-L356 PolarHBondContact O-N 2.86Å; L353-F357 VanDerWaalsContact O-CB 3.25Å; L353-F357 WeakPolarHBondContact O-CB 3.44Å; L353-F357 PolarHBondContact O-N 3.2Å
354	A	96.4	Very high	94.7	Very high	1 Å²	1	76.4 Å²	76.4	1%	0.008	37%	0.371	C	S	.	.	H	α-helix	trans	-62	-47.9	175.6	0	0	0	0	0	111.6	V67 I70 I71 W350 R351 F357 K358	V67-A354 HydrophobicContact CG1-CB 3.86Å; I70-A354 HydrophobicContact CB-CB 4.14Å; I70-A354 HydrophobicContact CG2-CB 3.87Å; I71-A354 HydrophobicContact CG1-CB 3.94Å; W350-A354 PolarHBondContact O-N 2.95Å; R351-A354 WeakPolarHBondContact O-CB 3.46Å; R351-A354 PolarHBondContact O-N 3.11Å; R351-A354 VanDerWaalsContact O-N 3.15Å; A354-F357 PolarHBondContact O-N 3.39Å; A354-K358 WeakPolarHBondContact O-CG 3.22Å; A354-K358 PolarHBondContact O-N 3.38Å
355	T	95.5	Very high	94.4	Very high	65 Å²	65	80.1 Å²	80.1	40%	0.399	37%	0.371	S	S	.	.	H	α-helix	trans	-62.8	-47.6	176.4	-51.3	0	0	0	0	111.4	R351 F357 K358 E359	R351-T355 PolarHBondContact O-N 3.01Å; R351-T355 PolarHBondContact O-OG1 2.76Å; T355-F357 VanDerWaalsContact C-N 3.31Å; T355-F357 PolarHBondContact O-N 3.4Å; T355-K358 PolarHBondContact O-N 3.01Å; T355-E359 HydrophobicContact CG2-CG 4.43Å; T355-E359 WeakPolarHBondContact CG2-OE1 3.41Å; T355-E359 WeakPolarHBondContact O-CG 3.2Å; T355-E359 PolarHBondContact O-N 3.14Å
356	L	95.6	Very high	94.1	Very high	56 Å²	56	74.7 Å²	74.7	29%	0.293	35%	0.347	S	S	.	.	H	α-helix	trans	-57	-45.4	177.3	177.3	66.3	0	0	0	111.6	K352 L353 E359 Q360	K352-L356 VanDerWaalsContact O-CB 3.23Å; K352-L356 WeakPolarHBondContact O-CB 3.31Å; K352-L356 PolarHBondContact O-N 3.49Å; L353-L356 HydrophobicContact CD2-CD2 4.48Å; L353-L356 PolarHBondContact O-N 2.86Å; L356-E359 PolarHBondContact O-N 3.39Å; L356-Q360 HydrophobicContact CD1-CG 4.15Å; L356-Q360 HydrophobicContact CG-CG 4.39Å; L356-Q360 WeakPolarHBondContact O-CB 3.24Å; L356-Q360 WeakPolarHBondContact O-CG 3.44Å; L356-Q360 PolarHBondContact O-N 3.39Å
357	F	95.4	Very high	94	Very high	4 Å²	4	77.4 Å²	77.4	2%	0.018	36%	0.359	C	S	.	.	H	α-helix	trans	-60.4	-48.6	178.5	-179.6	-92.3	0	0	0	111.2	F9 W63 I71 P83 L84 I87 L353 A354 T355 E359 Q360 T361	F9-F357 HydrophobicContact CB-CD2 4.16Å; F9-F357 HydrophobicContact CB-CE2 4.24Å; F9-F357 WeakPolarHBondContact O-CD2 3.45Å; F9-F357 WeakPolarHBondContact O-CE2 3.34Å; W63-F357 HydrophobicContact CH2-CE1 4.4Å; W63-F357 HydrophobicContact CH2-CZ 4.41Å; W63-F357 HydrophobicContact CZ2-CD1 4.16Å; W63-F357 AromaticContact CZ2-CD2 3.94Å; W63-F357 HydrophobicContact CZ2-CD2 3.94Å; W63-F357 HydrophobicContact CZ2-CE1 4.36Å; W63-F357 HydrophobicContact CZ2-CE2 4.15Å; W63-F357 AromaticContact CZ2-CG 3.94Å; W63-F357 HydrophobicContact CZ2-CG 3.94Å; W63-F357 HydrophobicContact CZ2-CZ 4.34Å; I71-F357 HydrophobicContact CD1-CD1 3.69Å; I71-F357 HydrophobicContact CD1-CE1 4.34Å; I71-F357 HydrophobicContact CD1-CG 4.41Å; P83-F357 HydrophobicContact CB-CZ 4.27Å; L84-F357 HydrophobicContact CD2-CD1 4.09Å; L84-F357 HydrophobicContact CD2-CE1 3.28Å; L84-F357 HydrophobicContact CD2-CZ 3.87Å; L84-F357 HydrophobicContact CG-CE1 3.86Å; L84-F357 HydrophobicContact CG-CZ 4.38Å; I87-F357 HydrophobicContact CD1-CD2 4.24Å; I87-F357 HydrophobicContact CD1-CE2 3.23Å; I87-F357 HydrophobicContact CD1-CZ 3.49Å; I87-F357 VanDerWaalsContact CD1-CZ 3.49Å; L353-F357 VanDerWaalsContact O-CB 3.25Å; L353-F357 WeakPolarHBondContact O-CB 3.44Å; L353-F357 PolarHBondContact O-N 3.2Å; A354-F357 PolarHBondContact O-N 3.39Å; T355-F357 VanDerWaalsContact C-N 3.31Å; T355-F357 PolarHBondContact O-N 3.4Å; F357-E359 PolarHBondContact O-N 3.05Å; F357-Q360 PolarHBondContact O-N 2.92Å; F357-T361 HydrophobicContact CD1-CG2 4.16Å; F357-T361 HydrophobicContact CD2-CG2 4.35Å; F357-T361 HydrophobicContact CE1-CG2 3.62Å; F357-T361 HydrophobicContact CE2-CG2 3.84Å; F357-T361 HydrophobicContact CG-CG2 4.5Å; F357-T361 HydrophobicContact CZ-CG2 3.47Å; F357-T361 VanDerWaalsContact CZ-CG2 3.47Å; F357-T361 WeakPolarHBondContact O-CG2 3.37Å; F357-T361 PolarHBondContact O-N 3.3Å; F357-T361 PolarHBondContact O-OG1 2.86Å
358	K	93.3	Very high	93.8	Very high	34 Å²	34	77.6 Å²	77.6	15%	0.148	36%	0.362	C	S	.	.	H	α-helix	trans	-57	-50.2	177	-74.7	178.6	169.3	-170.8	0	111.8	I71 D74 E76 A354 T355 Q360 T361 E362	I71-K358 HydrophobicContact CG1-CG 4.47Å; D74-K358 VanDerWaalsContact CB-NZ 3.27Å; D74-K358 IonicContact OD2-NZ 2.84Å; D74-K358 PolarHBondContact OD2-NZ 2.67Å; E76-K358 IonicContact OE2-NZ 2.96Å; E76-K358 PolarHBondContact OE2-NZ 3.36Å; A354-K358 WeakPolarHBondContact O-CG 3.22Å; A354-K358 PolarHBondContact O-N 3.38Å; T355-K358 PolarHBondContact O-N 3.01Å; K358-Q360 VanDerWaalsContact C-N 3.31Å; K358-Q360 PolarHBondContact O-N 3.36Å; K358-T361 PolarHBondContact O-N 3.11Å; K358-T361 PolarHBondContact O-OG1 3.19Å; K358-T361 VanDerWaalsContact O-OG1 3.1Å; K358-E362 VanDerWaalsContact O-CB 3.31Å; K358-E362 WeakPolarHBondContact O-CB 3.47Å; K358-E362 WeakPolarHBondContact O-CG 3.25Å; K358-E362 PolarHBondContact O-N 3.45Å
359	E	93.2	Very high	93.7	Very high	124 Å²	124	70.9 Å²	70.9	58%	0.579	33%	0.328	S	S	*	.	H	α-helix	trans	-58.4	-43.7	178.5	-72.1	171.6	178.4	0	0	111.5	T355 L356 F357 S363	T355-E359 HydrophobicContact CG2-CG 4.43Å; T355-E359 WeakPolarHBondContact CG2-OE1 3.41Å; T355-E359 WeakPolarHBondContact O-CG 3.2Å; T355-E359 PolarHBondContact O-N 3.14Å; L356-E359 PolarHBondContact O-N 3.39Å; F357-E359 PolarHBondContact O-N 3.05Å; E359-S363 WeakPolarHBondContact O-CB 3.26Å; E359-S363 PolarHBondContact O-N 3.08Å
360	Q	93.1	Very high	93.5	Very high	35 Å²	35	66.1 Å²	66.1	16%	0.164	31%	0.308	C	S	.	.	H	α-helix	trans	-65.3	-48.4	179	-76.4	174.2	-22.4	0	0	111.9	G7 L11 L356 F357 K358 E362 S363 G366	G7-Q360 PolarHBondContact O-NE2 3.07Å; G7-Q360 PolarHBondContact O-OE1 3.22Å; L11-Q360 HydrophobicContact CD2-CB 3.92Å; L11-Q360 HydrophobicContact CD2-CG 4.11Å; L356-Q360 HydrophobicContact CD1-CG 4.15Å; L356-Q360 HydrophobicContact CG-CG 4.39Å; L356-Q360 WeakPolarHBondContact O-CB 3.24Å; L356-Q360 WeakPolarHBondContact O-CG 3.44Å; L356-Q360 PolarHBondContact O-N 3.39Å; F357-Q360 PolarHBondContact O-N 2.92Å; K358-Q360 VanDerWaalsContact C-N 3.31Å; K358-Q360 PolarHBondContact O-N 3.36Å; Q360-E362 VanDerWaalsContact C-N 3.34Å; Q360-E362 PolarHBondContact O-N 2.93Å; Q360-S363 WeakPolarHBondContact O-CB 3.4Å; Q360-S363 PolarHBondContact O-N 2.73Å; Q360-S363 PolarHBondContact O-OG 3Å; Q360-G366 WeakPolarHBondContact O-CA 3.2Å
361	T	91.7	Very high	93.2	Very high	16 Å²	16	71.7 Å²	71.7	10%	0.098	33%	0.333	C	S	.	.	H	α-helix	trans	-69.1	-32.3	-178.5	52.6	0	0	0	0	113	P83 F357 K358	P83-T361 HydrophobicContact CB-CG2 3.8Å; P83-T361 HydrophobicContact CG-CG2 4.33Å; F357-T361 HydrophobicContact CD1-CG2 4.16Å; F357-T361 HydrophobicContact CD2-CG2 4.35Å; F357-T361 HydrophobicContact CE1-CG2 3.62Å; F357-T361 HydrophobicContact CE2-CG2 3.84Å; F357-T361 HydrophobicContact CG-CG2 4.5Å; F357-T361 HydrophobicContact CZ-CG2 3.47Å; F357-T361 VanDerWaalsContact CZ-CG2 3.47Å; F357-T361 WeakPolarHBondContact O-CG2 3.37Å; F357-T361 PolarHBondContact O-N 3.3Å; F357-T361 PolarHBondContact O-OG1 2.86Å; K358-T361 PolarHBondContact O-N 3.11Å; K358-T361 PolarHBondContact O-OG1 3.19Å; K358-T361 VanDerWaalsContact O-OG1 3.1Å
362	E	91.2	Very high	92.9	Very high	65 Å²	65	67.8 Å²	67.8	30%	0.304	32%	0.321	S	S	.	.	H	α-helix	trans	-84.6	-15.2	179.9	-69.9	-61.6	154.7	0	0	113.6	T79 K358 Q360 K367	T79-E362 WeakPolarHBondContact CB-OE1 3.41Å; T79-E362 WeakPolarHBondContact CB-OE2 3.5Å; T79-E362 PolarHBondContact N-OE1 3.31Å; T79-E362 VanDerWaalsContact OG1-CD 3.31Å; T79-E362 PolarHBondContact OG1-OE1 3.16Å; T79-E362 PolarHBondContact OG1-OE2 3.26Å; K358-E362 VanDerWaalsContact O-CB 3.31Å; K358-E362 WeakPolarHBondContact O-CB 3.47Å; K358-E362 WeakPolarHBondContact O-CG 3.25Å; K358-E362 PolarHBondContact O-N 3.45Å; Q360-E362 VanDerWaalsContact C-N 3.34Å; Q360-E362 PolarHBondContact O-N 2.93Å; E362-K367 VanDerWaalsContact O-CE 3.27Å; E362-K367 WeakPolarHBondContact O-CE 3.23Å; E362-K367 PolarHBondContact O-NZ 2.88Å; E362-K367 VanDerWaalsContact O-NZ 3.1Å; E362-K367 WeakPolarHBondContact OE2-CE 3.46Å; E362-K367 IonicContact OE2-NZ 2.8Å; E362-K367 PolarHBondContact OE2-NZ 3.04Å
363	S	92.1	Very high	92.7	Very high	46 Å²	46	60.5 Å²	60.5	32%	0.322	29%	0.292	S	S	.	.	S	Bend	trans	-62.1	152	171.4	77.9	0	0	0	0	111.9	E359 Q360 R365 G366 K367	E359-S363 WeakPolarHBondContact O-CB 3.26Å; E359-S363 PolarHBondContact O-N 3.08Å; Q360-S363 WeakPolarHBondContact O-CB 3.4Å; Q360-S363 PolarHBondContact O-N 2.73Å; Q360-S363 PolarHBondContact O-OG 3Å; S363-R365 PolarHBondContact O-N 3.2Å; S363-G366 PolarHBondContact O-N 3.48Å; S363-G366 PolarHBondContact OG-N 3.25Å; S363-G366 VanDerWaalsContact OG-N 3.09Å; S363-K367 PolarHBondContact O-N 3.25Å
364	N	91	Very high	92.3	Very high	139 Å²	139	61 Å²	61	74%	0.743	30%	0.298	S	S	*	.	H	α-helix	trans	-54.2	-42.1	176.8	-71.1	-16.8	0	0	0	112.1	G366 K367 E368	N364-G366 PolarHBondContact O-N 3.41Å; N364-K367 PolarHBondContact O-N 2.9Å; N364-E368 WeakPolarHBondContact O-CB 3.47Å; N364-E368 PolarHBondContact O-N 3.44Å
365	R	89.6	Confident	92	Very high	167 Å²	167	65.1 Å²	65.1	63%	0.63	32%	0.319	S	S	*	.	H	α-helix	trans	-62.9	-40.6	176.8	-177.4	-178.2	136.8	-177.6	-4.4	112.2	S363 A369	S363-R365 PolarHBondContact O-N 3.2Å; R365-A369 WeakPolarHBondContact O-CB 3.5Å; R365-A369 PolarHBondContact O-N 3.08Å
366	G	90.4	Very high	91.4	Very high	0 Å²	0	66 Å²	66	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-67.8	-41	177.1	0	0	0	0	0	112.8	Q360 S363 N364 A369 S370	Q360-G366 WeakPolarHBondContact O-CA 3.2Å; S363-G366 PolarHBondContact O-N 3.48Å; S363-G366 PolarHBondContact OG-N 3.25Å; S363-G366 VanDerWaalsContact OG-N 3.09Å; N364-G366 PolarHBondContact O-N 3.41Å; G366-A369 PolarHBondContact O-N 2.78Å; G366-S370 WeakPolarHBondContact O-CB 3.32Å; G366-S370 PolarHBondContact O-N 3.19Å; G366-S370 PolarHBondContact O-OG 2.92Å
367	K	92.2	Very high	90.8	Very high	83 Å²	83	64.9 Å²	64.9	36%	0.361	31%	0.311	S	S	.	.	H	α-helix	trans	-62.5	-44.6	175.4	-72.1	176.2	173.4	159.8	0	111.9	E362 S363 N364 S370 K371	E362-K367 VanDerWaalsContact O-CE 3.27Å; E362-K367 WeakPolarHBondContact O-CE 3.23Å; E362-K367 PolarHBondContact O-NZ 2.88Å; E362-K367 VanDerWaalsContact O-NZ 3.1Å; E362-K367 WeakPolarHBondContact OE2-CE 3.46Å; E362-K367 IonicContact OE2-NZ 2.8Å; E362-K367 PolarHBondContact OE2-NZ 3.04Å; S363-K367 PolarHBondContact O-N 3.25Å; N364-K367 PolarHBondContact O-N 2.9Å; K367-S370 PolarHBondContact O-N 2.92Å; K367-K371 WeakPolarHBondContact O-CB 3.35Å; K367-K371 PolarHBondContact O-N 3.31Å
368	E	91.9	Very high	90.1	Very high	144 Å²	144	69.5 Å²	69.5	67%	0.673	34%	0.34	S	S	*	.	H	α-helix	trans	-64.7	-46.1	176.5	-173.8	174.1	-169.9	0	0	112	N364 S370 K371 K372	N364-E368 WeakPolarHBondContact O-CB 3.47Å; N364-E368 PolarHBondContact O-N 3.44Å; E368-S370 VanDerWaalsContact C-N 3.3Å; E368-S370 PolarHBondContact O-N 3.44Å; E368-K371 PolarHBondContact O-N 2.91Å; E368-K372 WeakPolarHBondContact O-CB 3.28Å; E368-K372 PolarHBondContact O-N 3.41Å
369	A	91.2	Very high	89.4	Confident	9 Å²	9	73.5 Å²	73.5	7%	0.074	36%	0.359	C	S	.	.	H	α-helix	trans	-59.3	-41.7	175.5	0	0	0	0	0	112	E12 F15 R365 G366 K372 A373	E12-A369 HydrophobicContact CB-CB 3.95Å; F15-A369 HydrophobicContact CD2-CB 4.33Å; F15-A369 HydrophobicContact CE2-CB 4.47Å; R365-A369 WeakPolarHBondContact O-CB 3.5Å; R365-A369 PolarHBondContact O-N 3.08Å; G366-A369 PolarHBondContact O-N 2.78Å; A369-K372 PolarHBondContact O-N 3.44Å; A369-A373 VanDerWaalsContact O-CB 3.29Å; A369-A373 WeakPolarHBondContact O-CB 3.34Å; A369-A373 PolarHBondContact O-N 2.89Å
370	S	92.1	Very high	88.4	Confident	9 Å²	9	68.1 Å²	68.1	6%	0.063	34%	0.336	C	S	.	.	H	α-helix	trans	-65.6	-42.5	177.3	-57.8	0	0	0	0	111.8	F82 P83 G366 K367 E368 A373 A374	F82-S370 WeakPolarHBondContact CE1-O 3.36Å; P83-S370 WeakPolarHBondContact CG-OG 3.34Å; G366-S370 WeakPolarHBondContact O-CB 3.32Å; G366-S370 PolarHBondContact O-N 3.19Å; G366-S370 PolarHBondContact O-OG 2.92Å; K367-S370 PolarHBondContact O-N 2.92Å; E368-S370 VanDerWaalsContact C-N 3.3Å; E368-S370 PolarHBondContact O-N 3.44Å; S370-A373 PolarHBondContact O-N 2.89Å; S370-A374 WeakPolarHBondContact O-CB 3.43Å; S370-A374 PolarHBondContact O-N 3.49Å
371	K	91.4	Very high	87.4	Confident	148 Å²	148	70.4 Å²	70.4	64%	0.643	35%	0.345	S	S	*	.	H	α-helix	trans	-62.4	-46.4	176	-175	-178.5	177.5	-174	0	111.4	K367 E368 A373 A374 L375	K367-K371 WeakPolarHBondContact O-CB 3.35Å; K367-K371 PolarHBondContact O-N 3.31Å; E368-K371 PolarHBondContact O-N 2.91Å; K371-A373 PolarHBondContact O-N 3.15Å; K371-A374 PolarHBondContact O-N 2.76Å; K371-L375 HydrophobicContact CG-CD1 4.42Å; K371-L375 WeakPolarHBondContact O-CG 3.24Å; K371-L375 PolarHBondContact O-N 2.99Å
372	K	90.8	Very high	86.4	Confident	98 Å²	98	71.4 Å²	71.4	43%	0.426	35%	0.353	S	S	.	.	H	α-helix	trans	-60	-45.2	176.3	-178	-179.5	176.8	-177	0	111.6	E12 E368 A369 L375 Q376	E12-K372 IonicContact OE1-NZ 2.65Å; E12-K372 PolarHBondContact OE1-NZ 3.48Å; E368-K372 WeakPolarHBondContact O-CB 3.28Å; E368-K372 PolarHBondContact O-N 3.41Å; A369-K372 PolarHBondContact O-N 3.44Å; K372-L375 PolarHBondContact O-N 2.65Å; K372-Q376 WeakPolarHBondContact O-CG 3.34Å; K372-Q376 PolarHBondContact O-N 3.5Å
373	A	91.3	Very high	85.1	Confident	10 Å²	10	71.9 Å²	71.9	8%	0.083	36%	0.355	C	S	.	.	H	α-helix	trans	-63.6	-41.8	177	0	0	0	0	0	112	F15 F82 A369 S370 K371 Q376 W377	F15-A373 HydrophobicContact CB-CB 3.62Å; F15-A373 HydrophobicContact CD1-CB 3.66Å; F15-A373 HydrophobicContact CD2-CB 4.04Å; F15-A373 HydrophobicContact CE1-CB 4.29Å; F15-A373 HydrophobicContact CG-CB 3.52Å; F82-A373 HydrophobicContact CE1-CB 4.03Å; F82-A373 HydrophobicContact CZ-CB 4.22Å; A369-A373 VanDerWaalsContact O-CB 3.29Å; A369-A373 WeakPolarHBondContact O-CB 3.34Å; A369-A373 PolarHBondContact O-N 2.89Å; S370-A373 PolarHBondContact O-N 2.89Å; K371-A373 PolarHBondContact O-N 3.15Å; A373-Q376 PolarHBondContact O-N 2.79Å; A373-W377 WeakPolarHBondContact O-CB 3.46Å; A373-W377 PolarHBondContact O-N 2.86Å
374	A	90.1	Very high	83.7	Confident	28 Å²	28	72.5 Å²	72.5	23%	0.231	35%	0.353	C	S	.	.	H	α-helix	trans	-60.8	-45.6	176.4	0	0	0	0	0	111.6	F82 S370 K371 W377 T378	F82-A374 HydrophobicContact CD2-CB 4.08Å; F82-A374 HydrophobicContact CE1-CB 4.12Å; F82-A374 HydrophobicContact CE2-CB 3.62Å; F82-A374 HydrophobicContact CG-CB 4.49Å; F82-A374 VanDerWaalsContact CZ-CA 3.41Å; F82-A374 HydrophobicContact CZ-CB 3.66Å; S370-A374 WeakPolarHBondContact O-CB 3.43Å; S370-A374 PolarHBondContact O-N 3.49Å; K371-A374 PolarHBondContact O-N 2.76Å; A374-W377 PolarHBondContact O-N 3.27Å; A374-W377 VanDerWaalsContact O-N 3.16Å; A374-T378 PolarHBondContact O-N 3.09Å; A374-T378 PolarHBondContact O-OG1 2.67Å; A374-T378 VanDerWaalsContact O-OG1 3.11Å
375	L	88.3	Confident	82.2	Confident	87 Å²	87	69.4 Å²	69.4	46%	0.455	33%	0.334	S	S	.	.	H	α-helix	trans	-60.1	-47.2	176.3	-70.4	169.1	0	0	0	112	K371 K372 W377 T378 E379	K371-L375 HydrophobicContact CG-CD1 4.42Å; K371-L375 WeakPolarHBondContact O-CG 3.24Å; K371-L375 PolarHBondContact O-N 2.99Å; K372-L375 PolarHBondContact O-N 2.65Å; L375-W377 PolarHBondContact O-N 3.27Å; L375-T378 PolarHBondContact O-N 3.33Å; L375-E379 PolarHBondContact O-N 2.93Å
376	Q	84.7	Confident	81.2	Confident	83 Å²	83	63.6 Å²	63.6	39%	0.388	32%	0.315	S	S	.	.	H	α-helix	trans	-61.1	-35.2	175.8	-72.3	178.4	-11.6	0	0	112.4	K372 A373 A380	K372-Q376 WeakPolarHBondContact O-CG 3.34Å; K372-Q376 PolarHBondContact O-N 3.5Å; A373-Q376 PolarHBondContact O-N 2.79Å; Q376-A380 WeakPolarHBondContact O-CB 3.36Å; Q376-A380 PolarHBondContact O-N 3.5Å
377	W	82.1	Confident	79.8	Confident	33 Å²	33	64.9 Å²	64.9	13%	0.125	32%	0.324	C	S	.	.	H	α-helix	trans	-71.9	-42.4	179.5	-155.5	-2.4	0	0	0	111.6	H18 F82 Y85 T86 Y89 A373 A374 L375 E379 A380 F381	H18-W377 AromaticContact NE2-CZ2 3.94Å; F82-W377 HydrophobicContact CD2-CE3 4.43Å; F82-W377 HydrophobicContact CD2-CZ3 4.45Å; F82-W377 AromaticContact CE2-CE3 3.36Å; F82-W377 HydrophobicContact CE2-CE3 3.36Å; F82-W377 AromaticContact CE2-CZ3 3.73Å; F82-W377 HydrophobicContact CE2-CZ3 3.73Å; F82-W377 AromaticContact CZ-CE3 3.59Å; F82-W377 HydrophobicContact CZ-CE3 3.59Å; F82-W377 HydrophobicContact CZ-CZ3 4.1Å; Y85-W377 HydrophobicContact CD1-CH2 4.1Å; Y85-W377 HydrophobicContact CD1-CZ3 4.18Å; Y85-W377 AromaticContact CE1-CH2 3.62Å; Y85-W377 HydrophobicContact CE1-CH2 3.62Å; Y85-W377 HydrophobicContact CE1-CZ3 4.08Å; T86-W377 HydrophobicContact CG2-CE3 4.27Å; T86-W377 HydrophobicContact CG2-CH2 4.09Å; T86-W377 HydrophobicContact CG2-CZ3 3.65Å; T86-W377 WeakPolarHBondContact OG1-CZ3 3.42Å; Y89-W377 AromaticContact CD1-CH2 3.84Å; Y89-W377 HydrophobicContact CD1-CH2 3.84Å; Y89-W377 AromaticContact CD1-CZ2 3.63Å; Y89-W377 HydrophobicContact CD1-CZ2 3.63Å; Y89-W377 HydrophobicContact CE1-CH2 4.45Å; Y89-W377 AromaticContact CE1-CZ2 3.79Å; Y89-W377 HydrophobicContact CE1-CZ2 3.79Å; Y89-W377 HydrophobicContact CG-CH2 4.37Å; Y89-W377 HydrophobicContact CG-CZ2 4.47Å; A373-W377 WeakPolarHBondContact O-CB 3.46Å; A373-W377 PolarHBondContact O-N 2.86Å; A374-W377 PolarHBondContact O-N 3.27Å; A374-W377 VanDerWaalsContact O-N 3.16Å; L375-W377 PolarHBondContact O-N 3.27Å; W377-E379 VanDerWaalsContact C-N 3.33Å; W377-E379 PolarHBondContact O-N 3.42Å; W377-A380 PolarHBondContact O-N 2.88Å; W377-F381 AromaticContact CD1-CD2 3.46Å; W377-F381 VanDerWaalsContact CD1-CD2 3.46Å; W377-F381 AromaticContact CD1-CE2 3.32Å; W377-F381 AromaticContact CE2-CE2 3.83Å; W377-F381 HydrophobicContact CG-CD2 4.47Å; W377-F381 HydrophobicContact CG-CE2 4.44Å; W377-F381 HydrophobicContact CZ2-CE2 4.47Å; W377-F381 AromaticContact NE1-CD2 3.6Å; W377-F381 AromaticContact NE1-CE2 2.92Å; W377-F381 AromaticContact NE1-CZ 3.74Å; W377-F381 PolarHBondContact O-N 3.42Å
378	T	81.5	Confident	78.4	Confident	101 Å²	101	66.5 Å²	66.5	62%	0.62	33%	0.333	S	S	*	.	H	α-helix	trans	-60.1	-42.3	172.3	-59.2	0	0	0	0	111.4	A374 L375 F381 S382	A374-T378 PolarHBondContact O-N 3.09Å; A374-T378 PolarHBondContact O-OG1 2.67Å; A374-T378 VanDerWaalsContact O-OG1 3.11Å; L375-T378 PolarHBondContact O-N 3.33Å; T378-F381 CarbonylContact O-C 3.53Å; T378-F381 PolarHBondContact O-N 3.15Å; T378-S382 PolarHBondContact O-N 3.16Å
379	E	78.1	Confident	76.9	Confident	118 Å²	118	62 Å²	62	55%	0.551	31%	0.313	S	S	*	.	H	α-helix	trans	-62.2	-43.4	175.9	-174.1	-178.4	-166.4	0	0	112	L375 W377 F381 S382	L375-E379 PolarHBondContact O-N 2.93Å; W377-E379 VanDerWaalsContact C-N 3.33Å; W377-E379 PolarHBondContact O-N 3.42Å; E379-F381 PolarHBondContact O-N 2.98Å; E379-S382 WeakPolarHBondContact O-CB 3.48Å; E379-S382 PolarHBondContact O-N 3.49Å; E379-S382 PolarHBondContact O-OG 3.22Å
380	A	73	Confident	75.6	Confident	11 Å²	11	63.2 Å²	63.2	9%	0.091	32%	0.317	C	S	.	.	H	α-helix	trans	-62.4	-30.6	178.9	0	0	0	0	0	113.3	Q376 W377	Q376-A380 WeakPolarHBondContact O-CB 3.36Å; Q376-A380 PolarHBondContact O-N 3.5Å; W377-A380 PolarHBondContact O-N 2.88Å
381	F	71.3	Confident	73.8	Confident	83 Å²	83	66.3 Å²	66.3	36%	0.364	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	13	175.3	-69.2	-56	0	0	0	113.8	M26 W377 T378 E379 L386	M26-F381 HydrophobicContact CE-CD1 4.09Å; M26-F381 HydrophobicContact CE-CE1 4.03Å; M26-F381 HydrophobicContact SD-CE1 4.06Å; W377-F381 AromaticContact CD1-CD2 3.46Å; W377-F381 VanDerWaalsContact CD1-CD2 3.46Å; W377-F381 AromaticContact CD1-CE2 3.32Å; W377-F381 AromaticContact CE2-CE2 3.83Å; W377-F381 HydrophobicContact CG-CD2 4.47Å; W377-F381 HydrophobicContact CG-CE2 4.44Å; W377-F381 HydrophobicContact CZ2-CE2 4.47Å; W377-F381 AromaticContact NE1-CD2 3.6Å; W377-F381 AromaticContact NE1-CE2 2.92Å; W377-F381 AromaticContact NE1-CZ 3.74Å; W377-F381 PolarHBondContact O-N 3.42Å; T378-F381 CarbonylContact O-C 3.53Å; T378-F381 PolarHBondContact O-N 3.15Å; E379-F381 PolarHBondContact O-N 2.98Å; F381-L386 HydrophobicContact CD1-CD2 4.33Å; F381-L386 WeakPolarHBondContact O-CD1 3.23Å
382	S	70.1	Confident	71.8	Confident	37 Å²	37	62.1 Å²	62.1	26%	0.259	33%	0.328	S	S	.	.	S	Bend	trans	-58.3	144.9	171.6	64.8	0	0	0	0	110.1	T378 E379 E384 H385 L386	T378-S382 PolarHBondContact O-N 3.16Å; E379-S382 WeakPolarHBondContact O-CB 3.48Å; E379-S382 PolarHBondContact O-N 3.49Å; E379-S382 PolarHBondContact O-OG 3.22Å; S382-E384 PolarHBondContact O-N 3.3Å; S382-E384 VanDerWaalsContact O-N 3.12Å; S382-H385 PolarHBondContact O-N 3.03Å; S382-H385 PolarHBondContact OG-N 2.9Å; S382-L386 PolarHBondContact O-N 3.36Å
383	E	65	Low	69.8	Low	76 Å²	76	59.3 Å²	59.3	36%	0.355	32%	0.319	S	S	.	.	H	α-helix	trans	-55.1	-32.2	176.5	-170.8	-177.2	158.8	0	0	111.1	S387 Q425 W427	E383-S387 WeakPolarHBondContact O-CB 3.16Å; E383-S387 PolarHBondContact O-N 3.41Å; E383-S387 PolarHBondContact O-OG 3.38Å; E383-Q425 PolarHBondContact OE2-NE2 3.04Å; E383-W427 PolarHBondContact OE1-NE1 3.02Å
384	E	61.8	Low	67.6	Low	58 Å²	58	62.4 Å²	62.4	27%	0.271	33%	0.333	S	S	.	.	H	α-helix	trans	-64.3	-47.4	175.3	178.5	151.8	-132.5	0	0	112.7	S382 S387 Q388 R419 R424	S382-E384 PolarHBondContact O-N 3.3Å; S382-E384 VanDerWaalsContact O-N 3.12Å; E384-S387 PolarHBondContact O-N 2.98Å; E384-Q388 VanDerWaalsContact O-CG 3.31Å; E384-Q388 WeakPolarHBondContact O-CG 3.17Å; E384-Q388 PolarHBondContact O-N 2.94Å; E384-R419 IonicContact OE1-CZ 3.01Å; E384-R419 IonicContact OE1-NH1 2.76Å; E384-R419 IonicContact OE1-NH2 3.99Å; E384-R419 PolarHBondContact OE1-NH2 3.47Å; E384-R424 IonicContact OE1-NH1 2.83Å; E384-R424 PolarHBondContact OE1-NH1 3.31Å; E384-R424 IonicContact OE2-NH1 3.26Å; E384-R424 PolarHBondContact OE2-NH1 3.14Å; E384-R424 VanDerWaalsContact OE2-NH1 3.1Å
385	H	60.3	Low	65.2	Low	74 Å²	74	63.8 Å²	63.8	34%	0.343	35%	0.351	S	S	.	.	H	α-helix	trans	-67.6	-44.2	177.2	-89.7	-132.2	0	0	0	112.2	S382 S387 Q388 L389	S382-H385 PolarHBondContact O-N 3.03Å; S382-H385 PolarHBondContact OG-N 2.9Å; H385-S387 VanDerWaalsContact C-N 3.32Å; H385-S387 PolarHBondContact O-N 3.25Å; H385-Q388 PolarHBondContact O-N 3.38Å; H385-L389 WeakPolarHBondContact O-CG 3.45Å; H385-L389 PolarHBondContact O-N 3.48Å
386	L	67.2	Low	62.7	Low	46 Å²	46	67 Å²	67	24%	0.241	37%	0.369	C	S	.	.	H	α-helix	trans	-62.6	-42.3	176.4	-69.3	173.4	0	0	0	110.9	M26 F381 S382 Q388 L389 F390	M26-L386 HydrophobicContact CE-CD2 3.91Å; F381-L386 HydrophobicContact CD1-CD2 4.33Å; F381-L386 WeakPolarHBondContact O-CD1 3.23Å; S382-L386 PolarHBondContact O-N 3.36Å; L386-Q388 VanDerWaalsContact C-N 3.32Å; L386-Q388 PolarHBondContact O-N 3.28Å; L386-L389 PolarHBondContact O-N 3.07Å; L386-F390 HydrophobicContact CB-CD2 4.37Å; L386-F390 HydrophobicContact CD2-CD2 4.27Å; L386-F390 HydrophobicContact CD2-CE2 3.8Å; L386-F390 WeakPolarHBondContact O-CB 3.23Å; L386-F390 WeakPolarHBondContact O-CD2 3.5Å; L386-F390 PolarHBondContact O-N 3.37Å
387	S	61.9	Low	60.5	Low	26 Å²	26	66.4 Å²	66.4	18%	0.182	37%	0.373	C	S	.	.	H	α-helix	trans	-62.7	-38.6	175.2	-64.2	0	0	0	0	111.7	E383 E384 H385 S391	E383-S387 WeakPolarHBondContact O-CB 3.16Å; E383-S387 PolarHBondContact O-N 3.41Å; E383-S387 PolarHBondContact O-OG 3.38Å; E384-S387 PolarHBondContact O-N 2.98Å; H385-S387 VanDerWaalsContact C-N 3.32Å; H385-S387 PolarHBondContact O-N 3.25Å; S387-S391 WeakPolarHBondContact O-CA 3.48Å; S387-S391 WeakPolarHBondContact O-CB 3.46Å; S387-S391 PolarHBondContact O-N 3.48Å
388	Q	62.3	Low	58.5	Low	118 Å²	118	68.9 Å²	68.9	55%	0.551	41%	0.409	S	S	*	.	H	α-helix	trans	-65.5	-48	175.5	-74.3	172.5	10.9	0	0	111.6	E384 H385 L386 F390 S391	E384-Q388 VanDerWaalsContact O-CG 3.31Å; E384-Q388 WeakPolarHBondContact O-CG 3.17Å; E384-Q388 PolarHBondContact O-N 2.94Å; H385-Q388 PolarHBondContact O-N 3.38Å; L386-Q388 VanDerWaalsContact C-N 3.32Å; L386-Q388 PolarHBondContact O-N 3.28Å; Q388-F390 VanDerWaalsContact C-N 3.33Å; Q388-F390 PolarHBondContact O-N 2.88Å; Q388-S391 PolarHBondContact O-N 3.34Å; Q388-S391 PolarHBondContact O-OG 2.9Å
389	L	60.2	Low	56.7	Low	49 Å²	49	70.7 Å²	70.7	26%	0.257	42%	0.415	S	S	.	.	H	α-helix	trans	-63.4	-36.4	179.6	-73.7	170.9	0	0	0	112.9	M26 H385 L386	M26-L389 HydrophobicContact CB-CD1 4.46Å; M26-L389 HydrophobicContact CE-CD1 3.61Å; H385-L389 WeakPolarHBondContact O-CG 3.45Å; H385-L389 PolarHBondContact O-N 3.48Å; L386-L389 PolarHBondContact O-N 3.07Å
390	F	64.2	Low	55.1	Low	35 Å²	35	71.5 Å²	71.5	15%	0.154	42%	0.419	C	S	.	.	H	α-helix	trans	-108	10.6	-177.3	-59.6	-65.9	0	0	0	113.7	A30 L386 Q388 S392 T393 L394	A30-F390 HydrophobicContact CB-CE1 4.13Å; L386-F390 HydrophobicContact CB-CD2 4.37Å; L386-F390 HydrophobicContact CD2-CD2 4.27Å; L386-F390 HydrophobicContact CD2-CE2 3.8Å; L386-F390 WeakPolarHBondContact O-CB 3.23Å; L386-F390 WeakPolarHBondContact O-CD2 3.5Å; L386-F390 PolarHBondContact O-N 3.37Å; Q388-F390 VanDerWaalsContact C-N 3.33Å; Q388-F390 PolarHBondContact O-N 2.88Å; F390-S392 VanDerWaalsContact C-N 3.27Å; F390-S392 PolarHBondContact O-N 3.38Å; F390-T393 WeakPolarHBondContact O-CA 3.45Å; F390-T393 WeakPolarHBondContact O-CB 3.42Å; F390-T393 PolarHBondContact O-N 3.39Å; F390-L394 PolarHBondContact O-N 3.45Å
391	S	55.2	Low	53.8	Low	74 Å²	74	73.1 Å²	73.1	52%	0.517	43%	0.426	S	S	.	.	H	α-helix	trans	-58.4	-36.9	-177.4	49.8	0	0	0	0	112.8	S387 Q388 T393	S387-S391 WeakPolarHBondContact O-CA 3.48Å; S387-S391 WeakPolarHBondContact O-CB 3.46Å; S387-S391 PolarHBondContact O-N 3.48Å; Q388-S391 PolarHBondContact O-N 3.34Å; Q388-S391 PolarHBondContact O-OG 2.9Å; S391-T393 VanDerWaalsContact C-N 3.31Å
392	S	49.6	Very low	52.7	Low	60 Å²	60	72 Å²	72	42%	0.42	43%	0.426	S	S	.	.	H	α-helix	trans	-70.2	-26.5	175.2	55.1	0	0	0	0	113	I34 F390	I34-S392 WeakPolarHBondContact CD1-OG 3.39Å; F390-S392 VanDerWaalsContact C-N 3.27Å; F390-S392 PolarHBondContact O-N 3.38Å
393	T	47.2	Very low	51.3	Low	38 Å²	38	73.4 Å²	73.4	23%	0.233	43%	0.431	C	S	.	.	H	α-helix	trans	-81.4	-38	179.3	-41.3	0	0	0	0	111.7	F390 S391 G395	F390-T393 WeakPolarHBondContact O-CA 3.45Å; F390-T393 WeakPolarHBondContact O-CB 3.42Å; F390-T393 PolarHBondContact O-N 3.39Å; S391-T393 VanDerWaalsContact C-N 3.31Å; T393-G395 PolarHBondContact O-N 3.45Å
394	L	45.3	Very low	50.6	Low	75 Å²	75	74.9 Å²	74.9	39%	0.393	43%	0.434	S	S	.	.	H	α-helix	trans	-71.3	-17.4	-179.8	-69	168	0	0	0	113.4	F390	F390-L394 PolarHBondContact O-N 3.45Å
395	G	39.5	Very low	50.2	Low	58 Å²	58	76.8 Å²	76.8	60%	0.598	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-26.3	-174.6	0	0	0	0	0	116.2	T393	T393-G395 PolarHBondContact O-N 3.45Å
396	N	37.3	Very low	50.3	Low	155 Å²	155	75.2 Å²	75.2	83%	0.829	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.6	-10	-161.8	-79	-6.9	0	0	0	117.1
397	S	38.1	Very low	50.4	Low	70 Å²	70	75 Å²	75	49%	0.49	45%	0.448	S	S	.	.			trans	-92.7	109	170	57.1	0	0	0	0	109.4	D399	S397-D399 PolarHBondContact O-N 3.01Å
398	G	40.1	Very low	51.2	Low	84 Å²	84	80.5 Å²	80.5	87%	0.866	47%	0.465	S	S	*	.			trans	-65.5	1.3	172.3	0	0	0	0	0	114.6
399	D	43.2	Very low	52.2	Low	140 Å²	140	75 Å²	75	75%	0.749	44%	0.439	S	S	*	.	S	Bend	trans	-80.9	121.2	171.8	-75.5	-29.4	0	0	0	110.1	S397 N401	S397-D399 PolarHBondContact O-N 3.01Å; D399-N401 PolarHBondContact O-N 2.98Å
400	E	43.8	Very low	53.3	Low	135 Å²	135	75.6 Å²	75.6	63%	0.631	45%	0.447	S	S	*	.			trans	-58.1	100.2	169.4	-68.1	-167.7	149.8	0	0	108.7	P402 R408	E400-P402 VanDerWaalsContact O-CD 3.23Å; E400-P402 WeakPolarHBondContact O-CD 3.46Å; E400-R408 IonicContact OE1-NH2 3.41Å; E400-R408 PolarHBondContact OE1-NH2 3.24Å
401	N	46.1	Very low	54.2	Low	44 Å²	44	76.7 Å²	76.7	24%	0.235	46%	0.456	C	S	.	.			trans	-63.5	117.4	173.6	-172	-36.3	0	0	0	108.4	D399 L403 Y404	D399-N401 PolarHBondContact O-N 2.98Å; N401-L403 PolarHBondContact O-N 3.38Å; N401-L403 PolarHBondContact OD1-N 2.94Å; N401-Y404 CarbonylContact O-C 3.52Å; N401-Y404 VanDerWaalsContact O-C 3.28Å; N401-Y404 PolarHBondContact O-N 2.74Å; N401-Y404 VanDerWaalsContact O-N 3.12Å
402	P	47.9	Very low	55.6	Low	59 Å²	59	76.1 Å²	76.1	38%	0.383	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-17.5	-172.9	-27.2	35.2	0	0	0	115.3	K246 E400	K246-P402 HydrophobicContact CB-CG 4.49Å; K246-P402 HydrophobicContact CD-CB 4.12Å; E400-P402 VanDerWaalsContact O-CD 3.23Å; E400-P402 WeakPolarHBondContact O-CD 3.46Å
403	L	41.6	Very low	57.1	Low	67 Å²	67	74.9 Å²	74.9	35%	0.351	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.9	-14.9	-176.9	-65	178.7	0	0	0	113.9	N238 I242 N401 P405	N238-L403 WeakPolarHBondContact ND2-CD1 3.49Å; I242-L403 HydrophobicContact CD1-CD1 3.48Å; I242-L403 VanDerWaalsContact CD1-CD1 3.48Å; I242-L403 HydrophobicContact CD1-CG 3.93Å; I242-L403 HydrophobicContact CG1-CD1 3.79Å; I242-L403 HydrophobicContact CG1-CD2 4.46Å; I242-L403 HydrophobicContact CG1-CG 4.26Å; N401-L403 PolarHBondContact O-N 3.38Å; N401-L403 PolarHBondContact OD1-N 2.94Å; L403-P405 VanDerWaalsContact C-CD 3.45Å
404	Y	50.4	Low	58.7	Low	107 Å²	107	79 Å²	79	42%	0.42	47%	0.465	S	S	.	.	S	Bend	trans	-125.9	68.8	170.2	-59.2	-79.6	0	0	0	108.4	N401 T406	N401-Y404 CarbonylContact O-C 3.52Å; N401-Y404 VanDerWaalsContact O-C 3.28Å; N401-Y404 PolarHBondContact O-N 2.74Å; N401-Y404 VanDerWaalsContact O-N 3.12Å; Y404-T406 PolarHBondContact O-N 3.01Å; Y404-T406 VanDerWaalsContact O-N 3.17Å
405	P	53.8	Low	60.3	Low	98 Å²	98	80.8 Å²	80.8	64%	0.636	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-55.4	128.9	174.5	23.3	-31.3	0	0	0	107.8	L403 P407	L403-P405 VanDerWaalsContact C-CD 3.45Å; P405-P407 VanDerWaalsContact O-N 3.13Å
406	T	62.6	Low	62.2	Low	42 Å²	42	78.2 Å²	78.2	26%	0.258	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-47.9	125.5	171.9	27.4	0	0	0	0	108.1	Y404 R408	Y404-T406 PolarHBondContact O-N 3.01Å; Y404-T406 VanDerWaalsContact O-N 3.17Å; T406-R408 PolarHBondContact O-N 3.48Å
407	P	68.4	Low	64.1	Low	41 Å²	41	75 Å²	75	27%	0.266	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-56.3	130.6	-176.6	20.1	-30.2	0	0	0	108.6	P405 A416 W427	P405-P407 VanDerWaalsContact O-N 3.13Å; P407-A416 HydrophobicContact CB-CB 4.46Å; P407-A416 VanDerWaalsContact O-CB 3.32Å; P407-A416 WeakPolarHBondContact O-CB 3.47Å; P407-A416 PolarHBondContact O-N 3.35Å; P407-W427 HydrophobicContact CB-CB 3.7Å; P407-W427 HydrophobicContact CB-CD2 3.74Å; P407-W427 HydrophobicContact CB-CE3 4.19Å; P407-W427 HydrophobicContact CB-CG 3.52Å; P407-W427 HydrophobicContact CG-CB 4.48Å; P407-W427 HydrophobicContact CG-CD2 3.68Å; P407-W427 HydrophobicContact CG-CE3 3.71Å; P407-W427 HydrophobicContact CG-CG 4.05Å; P407-W427 HydrophobicContact CG-CZ3 4.16Å
408	R	79	Confident	66	Low	142 Å²	142	77.4 Å²	77.4	54%	0.536	44%	0.438	S	S	.	.	B	Isolated β-bridge	trans	-108.1	145.4	-179.3	-71.4	-175.8	178.4	-135.6	9.4	109.9	E400 T406 G413 E414	E400-R408 IonicContact OE1-NH2 3.41Å; E400-R408 PolarHBondContact OE1-NH2 3.24Å; T406-R408 PolarHBondContact O-N 3.48Å; R408-G413 WeakPolarHBondContact CD-O 3.47Å; R408-G413 PolarHBondContact NH1-O 2.9Å; R408-E414 CarbonylContact C-O 3.25Å; R408-E414 WeakPolarHBondContact CA-O 3.33Å
409	C	82.6	Confident	67.9	Low	1 Å²	1	77.5 Å²	77.5	1%	0.007	41%	0.412	C	S	.	.			trans	-67.7	124.8	178.9	-177.7	0	0	0	0	110.1	T411 C412 G413 E414 A416 C429 C433	C409-T411 PolarHBondContact O-N 2.88Å; C409-C412 VanDerWaalsContact CB-SG 3.58Å; C409-C412 PolarHBondContact O-N 3.34Å; C409-G413 VanDerWaalsContact O-CA 3.3Å; C409-G413 WeakPolarHBondContact O-CA 3.41Å; C409-G413 PolarHBondContact O-N 2.95Å; C409-E414 PolarHBondContact N-O 3.14Å; C409-A416 HydrophobicContact CB-CB 4.47Å; C409-C429 HydrophobicContact CB-CB 4.09Å; C409-C433 WeakPolarHBondContact SG-CB 3.36Å
410	P	82.8	Confident	69.7	Low	63 Å²	63	70.9 Å²	70.9	41%	0.409	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-12.2	-179.9	26.6	-34.6	0	0	0	113.1	E426 W427 Y428	P410-E426 HydrophobicContact CG-CG 4.34Å; P410-W427 WeakPolarHBondContact CD-O 3.44Å; P410-Y428 HydrophobicContact CG-CD1 4.28Å; P410-Y428 HydrophobicContact CG-CE1 3.86Å
411	T	83.3	Confident	71.5	Confident	57 Å²	57	69.3 Å²	69.3	35%	0.35	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-41.2	-178.2	-46	0	0	0	0	113.5	C409 C433 K436	C409-T411 PolarHBondContact O-N 2.88Å; T411-C433 HydrophobicContact CG2-CB 4.22Å; T411-C433 PolarHBondContact OG1-O 2.89Å; T411-K436 HydrophobicContact CG2-CB 4.04Å; T411-K436 HydrophobicContact CG2-CD 4.29Å
412	C	85	Confident	72.9	Confident	62 Å²	62	72.9 Å²	72.9	42%	0.419	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.1	-13.3	-176.4	64.2	0	0	0	0	114.3	C409 E414 C429	C409-C412 VanDerWaalsContact CB-SG 3.58Å; C409-C412 PolarHBondContact O-N 3.34Å; C412-E414 HydrophobicContact CB-CG 4.5Å; C412-E414 PolarHBondContact O-N 3.3Å; C412-C429 PolarHBondContact SG-SG 2.91Å
413	G	82.3	Confident	74.4	Confident	35 Å²	35	70.2 Å²	70.2	36%	0.361	37%	0.374	S	S	.	.			trans	78.8	-3.8	-177.9	0	0	0	0	0	115.5	R408 C409	R408-G413 WeakPolarHBondContact CD-O 3.47Å; R408-G413 PolarHBondContact NH1-O 2.9Å; C409-G413 VanDerWaalsContact O-CA 3.3Å; C409-G413 WeakPolarHBondContact O-CA 3.41Å; C409-G413 PolarHBondContact O-N 2.95Å
414	E	80.7	Confident	76.1	Confident	124 Å²	124	72.2 Å²	72.2	58%	0.579	38%	0.377	S	S	*	.	S	Bend	trans	-71.1	161.5	174.6	-62.9	179.6	158.7	0	0	111.9	R408 C409 C412 A416 C429	R408-E414 CarbonylContact C-O 3.25Å; R408-E414 WeakPolarHBondContact CA-O 3.33Å; C409-E414 PolarHBondContact N-O 3.14Å; C412-E414 HydrophobicContact CB-CG 4.5Å; C412-E414 PolarHBondContact O-N 3.3Å; E414-A416 PolarHBondContact O-N 3.05Å; E414-C429 HydrophobicContact CB-CB 4.27Å
415	I	78	Confident	77.2	Confident	112 Å²	112	71.6 Å²	71.6	57%	0.574	38%	0.378	S	S	*	.	B	Isolated β-bridge	trans	-57	125.8	175.6	-60.2	170.7	0	0	0	109.2
416	A	79.5	Confident	78.5	Confident	5 Å²	5	69.8 Å²	69.8	4%	0.041	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-88.5	123.5	179.4	0	0	0	0	0	110.8	P407 C409 E414 W427 Y428	P407-A416 HydrophobicContact CB-CB 4.46Å; P407-A416 VanDerWaalsContact O-CB 3.32Å; P407-A416 WeakPolarHBondContact O-CB 3.47Å; P407-A416 PolarHBondContact O-N 3.35Å; C409-A416 HydrophobicContact CB-CB 4.47Å; E414-A416 PolarHBondContact O-N 3.05Å; A416-W427 HydrophobicContact CB-CB 3.58Å; A416-Y428 WeakPolarHBondContact CA-O 3.42Å; A416-Y428 VanDerWaalsContact CB-C 3.41Å; A416-Y428 WeakPolarHBondContact CB-O 3.44Å
417	S	77.8	Confident	79.4	Confident	86 Å²	86	70.3 Å²	70.3	60%	0.601	36%	0.358	S	S	*	.			trans	-105.1	-11.9	178.4	58.8	0	0	0	0	113.2	Y428 C429	S417-Y428 PolarHBondContact N-O 3.33Å; S417-Y428 VanDerWaalsContact N-O 3.14Å; S417-C429 PolarHBondContact OG-O 3.23Å
418	K	77.2	Confident	80.2	Confident	122 Å²	122	68.3 Å²	68.3	53%	0.53	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	133.2	-173.7	-63.4	-176.7	-177	178.7	0	110.9	Y428	K418-Y428 PolarHBondContact N-O 2.77Å; K418-Y428 PolarHBondContact O-N 2.93Å; K418-Y428 VanDerWaalsContact O-O 3.06Å
419	R	80.1	Confident	80.5	Confident	85 Å²	85	63.1 Å²	63.1	32%	0.321	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	156.7	175.7	62.8	-172.4	179.1	164.4	2.7	112.6	E384 S421 E426 W427	E384-R419 IonicContact OE1-CZ 3.01Å; E384-R419 IonicContact OE1-NH1 2.76Å; E384-R419 IonicContact OE1-NH2 3.99Å; E384-R419 PolarHBondContact OE1-NH2 3.47Å; R419-S421 PolarHBondContact O-N 3.09Å; R419-E426 CarbonylContact C-O 3.6Å; R419-E426 VanDerWaalsContact CA-O 3.28Å; R419-E426 WeakPolarHBondContact CA-O 3.42Å; R419-W427 HydrophobicContact CB-CD2 4.29Å; R419-W427 HydrophobicContact CB-CE3 4.43Å
420	C	81.5	Confident	80.7	Confident	1 Å²	1	63.9 Å²	63.9	1%	0.007	34%	0.338	C	S	.	.			trans	-56.8	121.9	171.4	-176.7	0	0	0	0	110	R422 R424 E426 Y428 H441	C420-R422 PolarHBondContact O-N 3.22Å; C420-R422 VanDerWaalsContact O-N 3.13Å; C420-R424 WeakPolarHBondContact O-CA 3.43Å; C420-R424 PolarHBondContact O-N 2.65Å; C420-E426 HydrophobicContact CB-CB 4.48Å; C420-E426 PolarHBondContact N-O 2.79Å; C420-Y428 HydrophobicContact CB-CE2 4.26Å; C420-H441 PolarHBondContact SG-NE2 3.22Å; C420-H441 VanDerWaalsContact SG-NE2 3.37Å
421	S	80	Confident	80.8	Confident	102 Å²	102	70.2 Å²	70.2	71%	0.713	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-18.1	-177	54.7	0	0	0	0	114.2	R419	R419-S421 PolarHBondContact O-N 3.09Å
422	R	76.8	Confident	81	Confident	119 Å²	119	75 Å²	75	45%	0.449	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-63.6	-174.5	-163.9	174.8	-178.8	-149.5	-8.8	112.1	C420 D446 T449	C420-R422 PolarHBondContact O-N 3.22Å; C420-R422 VanDerWaalsContact O-N 3.13Å; R422-D446 IonicContact CZ-OD1 3.93Å; R422-D446 IonicContact NH1-OD1 2.93Å; R422-D446 PolarHBondContact NH1-OD1 3.02Å; R422-D446 IonicContact NH2-OD1 2.73Å; R422-D446 PolarHBondContact NH2-OD1 2.94Å; R422-T449 HydrophobicContact CG-CG2 4.41Å
423	C	79.1	Confident	81.2	Confident	3 Å²	3	72.7 Å²	72.7	2%	0.02	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-19.2	177.5	68	0	0	0	0	114.2	Q425 H441 C445 L448	C423-Q425 PolarHBondContact O-N 3.3Å; C423-H441 PolarHBondContact SG-CE1 2.94Å; C423-H441 PolarHBondContact SG-NE2 3.05Å; C423-C445 HydrophobicContact CB-CB 4.41Å; C423-L448 HydrophobicContact CB-CB 3.9Å; C423-L448 HydrophobicContact CB-CD1 4.22Å
424	R	77.2	Confident	81.4	Confident	109 Å²	109	72.9 Å²	72.9	41%	0.411	35%	0.348	S	S	.	.	S	Bend	trans	58.6	4.5	-175.5	-57.6	179.6	-176.9	-174.8	-0.1	116.7	E384 C420	E384-R424 IonicContact OE1-NH1 2.83Å; E384-R424 PolarHBondContact OE1-NH1 3.31Å; E384-R424 IonicContact OE2-NH1 3.26Å; E384-R424 PolarHBondContact OE2-NH1 3.14Å; E384-R424 VanDerWaalsContact OE2-NH1 3.1Å; C420-R424 WeakPolarHBondContact O-CA 3.43Å; C420-R424 PolarHBondContact O-N 2.65Å
425	Q	74.4	Confident	81.8	Confident	94 Å²	94	71.5 Å²	71.5	44%	0.439	35%	0.348	S	S	.	.			trans	-92.1	-24.3	-174.7	-163.3	56.6	44.6	0	0	114.3	E383 C423 L448	E383-Q425 PolarHBondContact OE2-NE2 3.04Å; C423-Q425 PolarHBondContact O-N 3.3Å; Q425-L448 HydrophobicContact CB-CD1 3.82Å; Q425-L448 HydrophobicContact CG-CD1 4.04Å
426	E	79.2	Confident	82.2	Confident	60 Å²	60	73.3 Å²	73.3	28%	0.28	35%	0.352	S	S	.	.			trans	-107.8	138.1	-175.3	-168.8	70.1	-107.7	0	0	111.3	P410 R419 C420 Y428 H441	P410-E426 HydrophobicContact CG-CG 4.34Å; R419-E426 CarbonylContact C-O 3.6Å; R419-E426 VanDerWaalsContact CA-O 3.28Å; R419-E426 WeakPolarHBondContact CA-O 3.42Å; C420-E426 HydrophobicContact CB-CB 4.48Å; C420-E426 PolarHBondContact N-O 2.79Å; E426-Y428 HydrophobicContact CB-CE2 3.94Å; E426-Y428 HydrophobicContact CG-CE1 4.21Å; E426-Y428 HydrophobicContact CG-CE2 3.62Å; E426-Y428 VanDerWaalsContact CG-CZ 3.44Å; E426-Y428 VanDerWaalsContact CG-OH 3.29Å; E426-Y428 WeakPolarHBondContact CG-OH 3.02Å; E426-H441 WeakPolarHBondContact CB-CE1 3.27Å; E426-H441 IonicContact OE2-ND1 2.84Å
427	W	82.8	Confident	82.7	Confident	53 Å²	53	74.8 Å²	74.8	20%	0.201	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	136.6	-172.4	-69.8	85.2	0	0	0	112	E383 P407 P410 A416 R419	E383-W427 PolarHBondContact OE1-NE1 3.02Å; P407-W427 HydrophobicContact CB-CB 3.7Å; P407-W427 HydrophobicContact CB-CD2 3.74Å; P407-W427 HydrophobicContact CB-CE3 4.19Å; P407-W427 HydrophobicContact CB-CG 3.52Å; P407-W427 HydrophobicContact CG-CB 4.48Å; P407-W427 HydrophobicContact CG-CD2 3.68Å; P407-W427 HydrophobicContact CG-CE3 3.71Å; P407-W427 HydrophobicContact CG-CG 4.05Å; P407-W427 HydrophobicContact CG-CZ3 4.16Å; P410-W427 WeakPolarHBondContact CD-O 3.44Å; A416-W427 HydrophobicContact CB-CB 3.58Å; R419-W427 HydrophobicContact CB-CD2 4.29Å; R419-W427 HydrophobicContact CB-CE3 4.43Å
428	Y	84.2	Confident	83.1	Confident	0 Å²	0	75 Å²	75	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	150.1	-178.2	-57.5	-83.6	0	0	0	112	P410 A416 S417 K418 C420 E426 G430 C433 Q434 H437	P410-Y428 HydrophobicContact CG-CD1 4.28Å; P410-Y428 HydrophobicContact CG-CE1 3.86Å; A416-Y428 WeakPolarHBondContact CA-O 3.42Å; A416-Y428 VanDerWaalsContact CB-C 3.41Å; A416-Y428 WeakPolarHBondContact CB-O 3.44Å; S417-Y428 PolarHBondContact N-O 3.33Å; S417-Y428 VanDerWaalsContact N-O 3.14Å; K418-Y428 PolarHBondContact N-O 2.77Å; K418-Y428 PolarHBondContact O-N 2.93Å; K418-Y428 VanDerWaalsContact O-O 3.06Å; C420-Y428 HydrophobicContact CB-CE2 4.26Å; E426-Y428 HydrophobicContact CB-CE2 3.94Å; E426-Y428 HydrophobicContact CG-CE1 4.21Å; E426-Y428 HydrophobicContact CG-CE2 3.62Å; E426-Y428 VanDerWaalsContact CG-CZ 3.44Å; E426-Y428 VanDerWaalsContact CG-OH 3.29Å; E426-Y428 WeakPolarHBondContact CG-OH 3.02Å; Y428-G430 VanDerWaalsContact C-N 3.26Å; Y428-G430 PolarHBondContact O-N 3.22Å; Y428-C433 HydrophobicContact CD1-CB 4.36Å; Y428-Q434 HydrophobicContact CD1-CB 4.06Å; Y428-Q434 HydrophobicContact CD2-CB 3.81Å; Y428-Q434 HydrophobicContact CD2-CG 3.79Å; Y428-Q434 HydrophobicContact CE1-CB 4.35Å; Y428-Q434 HydrophobicContact CE2-CB 4.12Å; Y428-Q434 HydrophobicContact CE2-CG 3.71Å; Y428-Q434 HydrophobicContact CG-CB 3.76Å; Y428-Q434 HydrophobicContact CG-CG 4.26Å; Y428-H437 HydrophobicContact CE1-CB 3.59Å; Y428-H437 AromaticContact CE1-CG 3.91Å; Y428-H437 AromaticContact CE1-ND1 3.63Å; Y428-H437 AromaticContact CZ-ND1 3.7Å; Y428-H437 PolarHBondContact OH-ND1 3.04Å
429	C	86.3	Confident	83.5	Confident	33 Å²	33	76.5 Å²	76.5	22%	0.223	36%	0.358	C	S	.	.	S	Bend	trans	-69.3	-27.9	173.3	68.7	0	0	0	0	111.9	C409 C412 E414 S417	C409-C429 HydrophobicContact CB-CB 4.09Å; C412-C429 PolarHBondContact SG-SG 2.91Å; E414-C429 HydrophobicContact CB-CB 4.27Å; S417-C429 PolarHBondContact OG-O 3.23Å
430	G	85.9	Confident	83.7	Confident	16 Å²	16	80.7 Å²	80.7	17%	0.165	38%	0.379	C	S	.	.	S	Bend	trans	-170.3	174	-178.4	0	0	0	0	0	113	Y428 E432 C433 Q434	Y428-G430 VanDerWaalsContact C-N 3.26Å; Y428-G430 PolarHBondContact O-N 3.22Å; G430-E432 VanDerWaalsContact C-N 3.25Å; G430-E432 PolarHBondContact O-N 2.98Å; G430-C433 PolarHBondContact O-N 3.15Å; G430-Q434 PolarHBondContact O-N 3.07Å
431	R	86.1	Confident	84	Confident	196 Å²	196	80.9 Å²	80.9	74%	0.74	38%	0.38	S	S	*	.	H	α-helix	trans	-62.1	-33.4	-177.5	-173.4	175.8	-179.4	178.2	0.1	112.3	Q434 V435	R431-Q434 PolarHBondContact O-N 3.45Å; R431-V435 HydrophobicContact CG-CG2 4.33Å; R431-V435 WeakPolarHBondContact O-CG2 3.35Å; R431-V435 PolarHBondContact O-N 3.16Å
432	E	87.2	Confident	84.3	Confident	157 Å²	157	80.6 Å²	80.6	73%	0.734	37%	0.366	S	S	*	.	H	α-helix	trans	-61.4	-47	179.6	-62.1	-179.5	-172	0	0	112	G430 V435 K436	G430-E432 VanDerWaalsContact C-N 3.25Å; G430-E432 PolarHBondContact O-N 2.98Å; E432-V435 PolarHBondContact O-N 3Å; E432-K436 WeakPolarHBondContact O-CG 3.42Å; E432-K436 PolarHBondContact O-N 3.48Å
433	C	88.9	Confident	84.7	Confident	15 Å²	15	80.3 Å²	80.3	10%	0.101	37%	0.373	C	S	.	.	H	α-helix	trans	-66.3	-39.5	175.8	-73	0	0	0	0	112	C409 T411 Y428 G430 V435 K436 H437	C409-C433 WeakPolarHBondContact SG-CB 3.36Å; T411-C433 HydrophobicContact CG2-CB 4.22Å; T411-C433 PolarHBondContact OG1-O 2.89Å; Y428-C433 HydrophobicContact CD1-CB 4.36Å; G430-C433 PolarHBondContact O-N 3.15Å; C433-V435 VanDerWaalsContact C-N 3.33Å; C433-V435 PolarHBondContact O-N 2.69Å; C433-K436 PolarHBondContact O-N 3.16Å; C433-H437 WeakPolarHBondContact O-CB 3.49Å; C433-H437 PolarHBondContact O-N 3.24Å
434	Q	87.1	Confident	84.8	Confident	38 Å²	38	82.4 Å²	82.4	18%	0.178	39%	0.39	C	S	.	.	H	α-helix	trans	-59.1	-43.9	175.5	-174.8	-176.6	4.5	0	0	112.1	Y428 G430 R431 H437 W438	Y428-Q434 HydrophobicContact CD1-CB 4.06Å; Y428-Q434 HydrophobicContact CD2-CB 3.81Å; Y428-Q434 HydrophobicContact CD2-CG 3.79Å; Y428-Q434 HydrophobicContact CE1-CB 4.35Å; Y428-Q434 HydrophobicContact CE2-CB 4.12Å; Y428-Q434 HydrophobicContact CE2-CG 3.71Å; Y428-Q434 HydrophobicContact CG-CB 3.76Å; Y428-Q434 HydrophobicContact CG-CG 4.26Å; G430-Q434 PolarHBondContact O-N 3.07Å; R431-Q434 PolarHBondContact O-N 3.45Å; Q434-H437 PolarHBondContact O-N 3.25Å; Q434-W438 PolarHBondContact O-N 2.91Å
435	V	88.2	Confident	85	Confident	95 Å²	95	77.2 Å²	77.2	58%	0.576	37%	0.371	S	S	*	.	H	α-helix	trans	-67.3	-40.6	178.1	173.8	0	0	0	0	111	R431 E432 C433 H437 W438	R431-V435 HydrophobicContact CG-CG2 4.33Å; R431-V435 WeakPolarHBondContact O-CG2 3.35Å; R431-V435 PolarHBondContact O-N 3.16Å; E432-V435 PolarHBondContact O-N 3Å; C433-V435 VanDerWaalsContact C-N 3.33Å; C433-V435 PolarHBondContact O-N 2.69Å; V435-H437 VanDerWaalsContact C-N 3.34Å; V435-H437 PolarHBondContact O-N 3.14Å; V435-W438 VanDerWaalsContact O-CB 3.29Å; V435-W438 WeakPolarHBondContact O-CB 3.42Å; V435-W438 PolarHBondContact O-N 3.4Å
436	K	87.6	Confident	85.5	Confident	151 Å²	151	74.7 Å²	74.7	66%	0.657	36%	0.36	S	S	*	.	H	α-helix	trans	-62	-39.8	175.3	-75.7	178.4	-178.4	175.3	0	112.4	T411 E432 C433 W438	T411-K436 HydrophobicContact CG2-CB 4.04Å; T411-K436 HydrophobicContact CG2-CD 4.29Å; E432-K436 WeakPolarHBondContact O-CG 3.42Å; E432-K436 PolarHBondContact O-N 3.48Å; C433-K436 PolarHBondContact O-N 3.16Å; K436-W438 VanDerWaalsContact C-N 3.34Å
437	H	88.7	Confident	85.6	Confident	36 Å²	36	77.5 Å²	77.5	17%	0.167	38%	0.377	C	S	.	.	H	α-helix	trans	-80.4	-14.2	179.5	-165.5	-126.5	0	0	0	113.7	Y428 C433 Q434 V435 L439 K440 H441	Y428-H437 HydrophobicContact CE1-CB 3.59Å; Y428-H437 AromaticContact CE1-CG 3.91Å; Y428-H437 AromaticContact CE1-ND1 3.63Å; Y428-H437 AromaticContact CZ-ND1 3.7Å; Y428-H437 PolarHBondContact OH-ND1 3.04Å; C433-H437 WeakPolarHBondContact O-CB 3.49Å; C433-H437 PolarHBondContact O-N 3.24Å; Q434-H437 PolarHBondContact O-N 3.25Å; V435-H437 VanDerWaalsContact C-N 3.34Å; V435-H437 PolarHBondContact O-N 3.14Å; H437-L439 VanDerWaalsContact C-N 3.26Å; H437-L439 PolarHBondContact O-N 3.02Å; H437-L439 VanDerWaalsContact O-N 3.11Å; H437-K440 PolarHBondContact O-N 3.36Å; H437-H441 PolarHBondContact O-N 3.32Å
438	W	86	Confident	85.4	Confident	90 Å²	90	78.2 Å²	78.2	34%	0.341	38%	0.384	S	S	.	.	H	α-helix	trans	-52.6	-40.1	-172.1	-175.5	-113.4	0	0	0	113.7	Q434 V435 K436 K440 H441 K442	Q434-W438 PolarHBondContact O-N 2.91Å; V435-W438 VanDerWaalsContact O-CB 3.29Å; V435-W438 WeakPolarHBondContact O-CB 3.42Å; V435-W438 PolarHBondContact O-N 3.4Å; K436-W438 VanDerWaalsContact C-N 3.34Å; W438-K440 VanDerWaalsContact C-N 3.26Å; W438-K440 PolarHBondContact O-N 2.92Å; W438-H441 PolarHBondContact O-N 3.43Å; W438-K442 HydrophobicContact CZ2-CB 4.47Å; W438-K442 HydrophobicContact CZ2-CG 4.14Å; W438-K442 VanDerWaalsContact O-CB 3.24Å; W438-K442 WeakPolarHBondContact O-CB 3.4Å; W438-K442 PolarHBondContact O-N 3.48Å
439	L	85.5	Confident	85.1	Confident	154 Å²	154	79.5 Å²	79.5	81%	0.806	39%	0.392	S	S	*	.	H	α-helix	trans	-58.2	-34.2	177.7	-79.7	147.7	0	0	0	113.5	H437	H437-L439 VanDerWaalsContact C-N 3.26Å; H437-L439 PolarHBondContact O-N 3.02Å; H437-L439 VanDerWaalsContact O-N 3.11Å
440	K	85.6	Confident	84.7	Confident	172 Å²	172	84 Å²	84	75%	0.748	41%	0.41	S	S	*	.	H	α-helix	trans	-89.4	-34.2	177.1	-66.2	-175	178.9	-177.5	0	112.3	H437 W438	H437-K440 PolarHBondContact O-N 3.36Å; W438-K440 VanDerWaalsContact C-N 3.26Å; W438-K440 PolarHBondContact O-N 2.92Å
441	H	86.5	Confident	84	Confident	5 Å²	5	85.7 Å²	85.7	2%	0.023	42%	0.422	C	S	.	.	H	α-helix	trans	-78.9	-26.7	-176.5	-179.4	63.2	0	0	0	113.5	C420 C423 E426 H437 W438 D443 A444 C445	C420-H441 PolarHBondContact SG-NE2 3.22Å; C420-H441 VanDerWaalsContact SG-NE2 3.37Å; C423-H441 PolarHBondContact SG-CE1 2.94Å; C423-H441 PolarHBondContact SG-NE2 3.05Å; E426-H441 WeakPolarHBondContact CB-CE1 3.27Å; E426-H441 IonicContact OE2-ND1 2.84Å; H437-H441 PolarHBondContact O-N 3.32Å; W438-H441 PolarHBondContact O-N 3.43Å; H441-D443 PolarHBondContact O-N 3.4Å; H441-A444 PolarHBondContact O-N 2.68Å; H441-C445 WeakPolarHBondContact NE2-CB 3.46Å; H441-C445 WeakPolarHBondContact O-CB 3.31Å; H441-C445 PolarHBondContact O-N 3.07Å
442	K	87.9	Confident	83.2	Confident	96 Å²	96	79.7 Å²	79.7	42%	0.417	40%	0.404	S	S	.	.	H	α-helix	trans	-53.3	-50.8	-171.3	-176.4	-176.1	175.6	-164.6	0	112.8	W438 A444 C445 D446	W438-K442 HydrophobicContact CZ2-CB 4.47Å; W438-K442 HydrophobicContact CZ2-CG 4.14Å; W438-K442 VanDerWaalsContact O-CB 3.24Å; W438-K442 WeakPolarHBondContact O-CB 3.4Å; W438-K442 PolarHBondContact O-N 3.48Å; K442-A444 PolarHBondContact O-N 3.09Å; K442-C445 WeakPolarHBondContact O-CB 3.44Å; K442-C445 PolarHBondContact O-N 3.1Å; K442-C445 VanDerWaalsContact O-N 3.15Å; K442-D446 PolarHBondContact O-N 3.49Å
443	D	84	Confident	82.3	Confident	113 Å²	113	75.2 Å²	75.2	60%	0.604	39%	0.388	S	S	*	.	H	α-helix	trans	-63.6	-43.2	-176.8	-59.4	-23.1	0	0	0	111.5	H441 D446 L447	H441-D443 PolarHBondContact O-N 3.4Å; D443-D446 PolarHBondContact O-N 3.22Å; D443-L447 WeakPolarHBondContact O-CG 3.45Å; D443-L447 PolarHBondContact O-N 3.1Å
444	A	81.7	Confident	81	Confident	47 Å²	47	77.7 Å²	77.7	39%	0.388	41%	0.405	S	S	.	.	H	α-helix	trans	-66.4	-37.4	174.6	0	0	0	0	0	112.2	H441 K442 L447 L448	H441-A444 PolarHBondContact O-N 2.68Å; K442-A444 PolarHBondContact O-N 3.09Å; A444-L447 PolarHBondContact O-N 3.42Å; A444-L448 WeakPolarHBondContact O-CB 3.06Å; A444-L448 WeakPolarHBondContact O-CD1 3.34Å; A444-L448 WeakPolarHBondContact O-CG 3.19Å; A444-L448 PolarHBondContact O-N 3.38Å
445	C	81.7	Confident	79.3	Confident	0 Å²	0	80.4 Å²	80.4	0%	0	42%	0.421	C	S	.	.	H	α-helix	trans	-65.8	-41.2	178.8	-172.5	0	0	0	0	111.8	C423 H441 K442 T449	C423-C445 HydrophobicContact CB-CB 4.41Å; H441-C445 WeakPolarHBondContact NE2-CB 3.46Å; H441-C445 WeakPolarHBondContact O-CB 3.31Å; H441-C445 PolarHBondContact O-N 3.07Å; K442-C445 WeakPolarHBondContact O-CB 3.44Å; K442-C445 PolarHBondContact O-N 3.1Å; K442-C445 VanDerWaalsContact O-N 3.15Å; C445-T449 VanDerWaalsContact O-CB 3.31Å; C445-T449 WeakPolarHBondContact O-CB 3.34Å; C445-T449 PolarHBondContact O-N 3.23Å; C445-T449 PolarHBondContact O-OG1 3.24Å
446	D	84.9	Confident	77.6	Confident	41 Å²	41	82.5 Å²	82.5	22%	0.219	42%	0.422	C	S	.	.	H	α-helix	trans	-62.7	-48.8	176.3	-73.6	-33.3	0	0	0	110.3	R422 K442 D443 L448 T449 E450	R422-D446 IonicContact CZ-OD1 3.93Å; R422-D446 IonicContact NH1-OD1 2.93Å; R422-D446 PolarHBondContact NH1-OD1 3.02Å; R422-D446 IonicContact NH2-OD1 2.73Å; R422-D446 PolarHBondContact NH2-OD1 2.94Å; K442-D446 PolarHBondContact O-N 3.49Å; D443-D446 PolarHBondContact O-N 3.22Å; D446-L448 PolarHBondContact O-N 3.44Å; D446-T449 PolarHBondContact O-N 2.85Å; D446-E450 WeakPolarHBondContact O-CG 3.09Å; D446-E450 PolarHBondContact O-N 3.43Å
447	L	81.9	Confident	75.7	Confident	120 Å²	120	82 Å²	82	63%	0.628	43%	0.427	S	S	*	.	H	α-helix	trans	-58.5	-45.3	176.1	-69.7	171.9	0	0	0	113.2	D443 A444 T449 E450 A451	D443-L447 WeakPolarHBondContact O-CG 3.45Å; D443-L447 PolarHBondContact O-N 3.1Å; A444-L447 PolarHBondContact O-N 3.42Å; L447-T449 VanDerWaalsContact C-N 3.34Å; L447-E450 PolarHBondContact O-N 3.37Å; L447-A451 PolarHBondContact O-N 2.87Å
448	L	78.7	Confident	73.7	Confident	67 Å²	67	84.5 Å²	84.5	35%	0.351	45%	0.448	S	S	.	.	H	α-helix	trans	-65.9	-38.2	178.2	-72.1	167.4	0	0	0	111.7	C423 Q425 A444 D446 A451 I452	C423-L448 HydrophobicContact CB-CB 3.9Å; C423-L448 HydrophobicContact CB-CD1 4.22Å; Q425-L448 HydrophobicContact CB-CD1 3.82Å; Q425-L448 HydrophobicContact CG-CD1 4.04Å; A444-L448 WeakPolarHBondContact O-CB 3.06Å; A444-L448 WeakPolarHBondContact O-CD1 3.34Å; A444-L448 WeakPolarHBondContact O-CG 3.19Å; A444-L448 PolarHBondContact O-N 3.38Å; D446-L448 PolarHBondContact O-N 3.44Å; L448-A451 PolarHBondContact O-N 2.69Å; L448-I452 WeakPolarHBondContact O-CD1 3.24Å; L448-I452 WeakPolarHBondContact O-CG1 3.39Å; L448-I452 PolarHBondContact O-N 3.49Å
449	T	76	Confident	71.5	Confident	28 Å²	28	89.2 Å²	89.2	17%	0.172	48%	0.48	C	S	.	.	H	α-helix	trans	-70.5	-38	178.8	-52.9	0	0	0	0	111.3	R422 C445 D446 L447 I452 T453	R422-T449 HydrophobicContact CG-CG2 4.41Å; C445-T449 VanDerWaalsContact O-CB 3.31Å; C445-T449 WeakPolarHBondContact O-CB 3.34Å; C445-T449 PolarHBondContact O-N 3.23Å; C445-T449 PolarHBondContact O-OG1 3.24Å; D446-T449 PolarHBondContact O-N 2.85Å; L447-T449 VanDerWaalsContact C-N 3.34Å; T449-I452 PolarHBondContact O-N 2.88Å; T449-T453 HydrophobicContact CG2-CG2 4.41Å; T449-T453 WeakPolarHBondContact O-CB 3.45Å; T449-T453 WeakPolarHBondContact O-CG2 3.39Å; T449-T453 PolarHBondContact O-N 3.27Å; T449-T453 PolarHBondContact O-OG1 3.29Å
450	E	78.5	Confident	70.8	Confident	126 Å²	126	86 Å²	86	59%	0.589	46%	0.464	S	S	*	.	H	α-helix	trans	-60.4	-45.2	173	-77	177.3	-174.6	0	0	111.3	D446 L447 I452 T453 S454	D446-E450 WeakPolarHBondContact O-CG 3.09Å; D446-E450 PolarHBondContact O-N 3.43Å; L447-E450 PolarHBondContact O-N 3.37Å; E450-I452 PolarHBondContact O-N 3.22Å; E450-T453 WeakPolarHBondContact CA-OG1 3.48Å; E450-T453 PolarHBondContact O-N 2.73Å; E450-T453 PolarHBondContact O-OG1 2.93Å; E450-T453 VanDerWaalsContact O-OG1 3.08Å; E450-S454 PolarHBondContact O-N 2.68Å; E450-S454 PolarHBondContact O-OG 3.36Å
451	A	71.7	Confident	70	Confident	52 Å²	52	81.5 Å²	81.5	43%	0.43	45%	0.449	S	S	.	.	H	α-helix	trans	-61.7	-39.7	175.1	0	0	0	0	0	112.9	L447 L448 S454 D455	L447-A451 PolarHBondContact O-N 2.87Å; L448-A451 PolarHBondContact O-N 2.69Å; A451-S454 PolarHBondContact O-OG 3.39Å; A451-D455 PolarHBondContact O-N 2.72Å
452	I	68.8	Low	69.1	Low	71 Å²	71	85.7 Å²	85.7	36%	0.364	47%	0.473	S	S	.	.	H	α-helix	trans	-70.8	-33.5	177.5	-66.4	162.4	0	0	0	111.6	L448 T449 E450 K456	L448-I452 WeakPolarHBondContact O-CD1 3.24Å; L448-I452 WeakPolarHBondContact O-CG1 3.39Å; L448-I452 PolarHBondContact O-N 3.49Å; T449-I452 PolarHBondContact O-N 2.88Å; E450-I452 PolarHBondContact O-N 3.22Å; I452-K456 PolarHBondContact O-N 3.37Å
453	T	68.2	Low	68	Low	63 Å²	63	85.1 Å²	85.1	39%	0.387	48%	0.476	S	S	.	.	H	α-helix	trans	-82.1	-32.2	-177.9	46.3	0	0	0	0	113.1	T449 E450 D455 K456 N457	T449-T453 HydrophobicContact CG2-CG2 4.41Å; T449-T453 WeakPolarHBondContact O-CB 3.45Å; T449-T453 WeakPolarHBondContact O-CG2 3.39Å; T449-T453 PolarHBondContact O-N 3.27Å; T449-T453 PolarHBondContact O-OG1 3.29Å; E450-T453 WeakPolarHBondContact CA-OG1 3.48Å; E450-T453 PolarHBondContact O-N 2.73Å; E450-T453 PolarHBondContact O-OG1 2.93Å; E450-T453 VanDerWaalsContact O-OG1 3.08Å; T453-D455 VanDerWaalsContact C-N 3.28Å; T453-D455 PolarHBondContact O-N 3.08Å; T453-K456 PolarHBondContact O-N 2.84Å; T453-N457 PolarHBondContact O-N 2.67Å
454	S	62.2	Low	67	Low	67 Å²	67	83.4 Å²	83.4	47%	0.469	47%	0.468	S	S	.	.	H	α-helix	trans	-62.5	-36.6	169.4	57.5	0	0	0	0	111.7	E450 A451 S458	E450-S454 PolarHBondContact O-N 2.68Å; E450-S454 PolarHBondContact O-OG 3.36Å; A451-S454 PolarHBondContact O-OG 3.39Å; S454-S458 WeakPolarHBondContact O-CB 3.34Å; S454-S458 PolarHBondContact O-N 2.64Å; S454-S458 PolarHBondContact O-OG 3.27Å
455	D	50.8	Low	66	Low	94 Å²	94	85.8 Å²	85.8	50%	0.503	47%	0.473	S	S	.	.	H	α-helix	trans	-68.1	-36.6	172.9	-85.3	-12.6	0	0	0	112.8	A451 T453 S458	A451-D455 PolarHBondContact O-N 2.72Å; T453-D455 VanDerWaalsContact C-N 3.28Å; T453-D455 PolarHBondContact O-N 3.08Å; D455-S458 PolarHBondContact O-OG 3.2Å
456	K	52.3	Low	64.9	Low	140 Å²	140	91.9 Å²	91.9	61%	0.609	51%	0.507	S	S	*	.	H	α-helix	trans	-73.8	-33.2	177.9	-78.3	-174.5	179.8	-178.4	0	114.3	I452 T453 S458	I452-K456 PolarHBondContact O-N 3.37Å; T453-K456 PolarHBondContact O-N 2.84Å; K456-S458 VanDerWaalsContact C-N 3.31Å
457	N	48	Very low	63.4	Low	141 Å²	141	95.8 Å²	95.8	75%	0.754	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-6	180	-70.3	-18.1	0	0	0	113.2	T453	T453-N457 PolarHBondContact O-N 2.67Å
458	S	47.9	Very low	61.8	Low	88 Å²	88	93.8 Å²	93.8	62%	0.615	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	0.1	173	50.2	0	0	0	0	113.6	S454 D455 K456	S454-S458 WeakPolarHBondContact O-CB 3.34Å; S454-S458 PolarHBondContact O-N 2.64Å; S454-S458 PolarHBondContact O-OG 3.27Å; D455-S458 PolarHBondContact O-OG 3.2Å; K456-S458 VanDerWaalsContact C-N 3.31Å
459	N	39	Very low	60.3	Low	189 Å²	189	96.3 Å²	96.3	100%	1.011	54%	0.536	S	S	*	.			trans	-102.6	0	161.3	-75.3	-32.7	0	0	0	109.9

Retrieved 459 of 459 residues in 726.4 ms (Link to these results)

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