A0A077ZJ59_TRITR Loading...

Xenotropic and polytropic retrovirus receptor 1

AlphaFold DB , UniProt , Accession A0A077ZJ59, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 766 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	35.4	Very low	50.5	Low	157 Å²	157	56.5 Å²	56.5	77%	0.773	30%	0.296	S	S	*	.				0	136.9	0	-161.5	-175.9	-74.2	0	0	107.8	E5	M1-E5 HydrophobicContact CG-CB 4.22Å
2	K	54.5	Low	51.3	Low	100 Å²	100	51.9 Å²	51.9	44%	0.435	27%	0.272	S	S	.	.			trans	-70.4	146.1	-174.9	-67.6	178	177.8	178.9	0	110.5	A4 E5 H6	K2-A4 VanDerWaalsContact C-N 3.28Å; K2-A4 PolarHBondContact O-N 3.29Å; K2-E5 HydrophobicContact CB-CG 4.29Å; K2-E5 PolarHBondContact N-OE2 2.98Å; K2-E5 WeakPolarHBondContact O-CB 3.29Å; K2-E5 PolarHBondContact O-N 3.02Å; K2-H6 PolarHBondContact O-N 3.23Å
3	F	52.9	Low	51.4	Low	26 Å²	26	49.6 Å²	49.6	11%	0.114	26%	0.262	C	S	.	.	H	α-helix	trans	-56.5	-37.3	-177.3	175.7	-112.6	0	0	0	114.2	E5 H6 L7 Y22 T161 K165	F3-E5 VanDerWaalsContact C-N 3.32Å; F3-E5 PolarHBondContact O-N 3.28Å; F3-H6 PolarHBondContact O-N 3.21Å; F3-L7 HydrophobicContact CE1-CB 4.47Å; F3-L7 HydrophobicContact CE1-CD2 4.21Å; F3-L7 HydrophobicContact CE2-CB 4.38Å; F3-L7 HydrophobicContact CZ-CB 4.27Å; F3-L7 HydrophobicContact CZ-CD1 4.37Å; F3-L7 HydrophobicContact CZ-CD2 4.32Å; F3-L7 VanDerWaalsContact O-CB 3.24Å; F3-L7 WeakPolarHBondContact O-CB 3.22Å; F3-L7 PolarHBondContact O-N 3.13Å; F3-Y22 HydrophobicContact CD1-CD1 4.42Å; F3-Y22 HydrophobicContact CD1-CD2 4.2Å; F3-Y22 HydrophobicContact CD1-CE1 4.03Å; F3-Y22 AromaticContact CD1-CE2 3.78Å; F3-Y22 HydrophobicContact CD1-CE2 3.78Å; F3-Y22 AromaticContact CD1-CZ 3.7Å; F3-Y22 AromaticContact CE1-CD2 3.81Å; F3-Y22 HydrophobicContact CE1-CD2 3.81Å; F3-Y22 AromaticContact CE1-CE2 3.72Å; F3-Y22 HydrophobicContact CE1-CE2 3.72Å; F3-Y22 HydrophobicContact CE1-CG 4.3Å; F3-T161 HydrophobicContact CE2-CG2 3.75Å; F3-T161 HydrophobicContact CZ-CG2 3.91Å; F3-K165 HydrophobicContact CB-CD 3.99Å; F3-K165 HydrophobicContact CD1-CB 4.23Å; F3-K165 HydrophobicContact CD1-CD 3.32Å; F3-K165 HydrophobicContact CD1-CG 4.41Å; F3-K165 HydrophobicContact CD2-CD 3.59Å; F3-K165 HydrophobicContact CE1-CB 4.13Å; F3-K165 HydrophobicContact CE1-CD 3.54Å; F3-K165 HydrophobicContact CE1-CG 4.42Å; F3-K165 HydrophobicContact CE2-CD 3.76Å; F3-K165 HydrophobicContact CG-CD 3.31Å; F3-K165 HydrophobicContact CZ-CD 3.73Å
4	A	49.9	Very low	51.4	Low	20 Å²	20	50.6 Å²	50.6	17%	0.165	26%	0.264	C	S	.	.	H	α-helix	trans	-64.4	-38.3	177.2	0	0	0	0	0	112.4	K2 A8 Y22 M23	K2-A4 VanDerWaalsContact C-N 3.28Å; K2-A4 PolarHBondContact O-N 3.29Å; A4-A8 VanDerWaalsContact O-CB 3.29Å; A4-A8 WeakPolarHBondContact O-CB 3.37Å; A4-A8 PolarHBondContact O-N 3.45Å; A4-Y22 HydrophobicContact CB-CD1 3.95Å; A4-Y22 HydrophobicContact CB-CE1 4.1Å; A4-M23 HydrophobicContact CB-SD 3.63Å
5	E	47.9	Very low	53.1	Low	97 Å²	97	48.9 Å²	48.9	45%	0.453	25%	0.253	S	S	.	.	H	α-helix	trans	-68.6	-42.7	175.6	-64.5	163.7	179.6	0	0	110.2	M1 K2 F3 A8 T9	M1-E5 HydrophobicContact CG-CB 4.22Å; K2-E5 HydrophobicContact CB-CG 4.29Å; K2-E5 PolarHBondContact N-OE2 2.98Å; K2-E5 WeakPolarHBondContact O-CB 3.29Å; K2-E5 PolarHBondContact O-N 3.02Å; F3-E5 VanDerWaalsContact C-N 3.32Å; F3-E5 PolarHBondContact O-N 3.28Å; E5-A8 PolarHBondContact O-N 3.17Å; E5-T9 WeakPolarHBondContact O-CG2 3.13Å; E5-T9 PolarHBondContact O-N 3.37Å; E5-T9 PolarHBondContact O-OG1 3.07Å
6	H	48	Very low	54	Low	36 Å²	36	51.3 Å²	51.3	17%	0.167	26%	0.258	C	S	.	.	H	α-helix	trans	-65.7	-45.3	177.4	-168.2	69	0	0	0	112.3	K2 F3 A8 T9 H10	K2-H6 PolarHBondContact O-N 3.23Å; F3-H6 PolarHBondContact O-N 3.21Å; H6-A8 VanDerWaalsContact C-N 3.32Å; H6-A8 PolarHBondContact O-N 3.43Å; H6-T9 WeakPolarHBondContact CA-OG1 3.48Å; H6-T9 PolarHBondContact O-N 3.22Å; H6-T9 VanDerWaalsContact O-N 3.15Å; H6-T9 PolarHBondContact O-OG1 2.77Å; H6-H10 AromaticContact CD2-CD2 3.81Å; H6-H10 AromaticContact CE1-CD2 3.26Å; H6-H10 PolarHBondContact CE1-CD2 3.48Å; H6-H10 AromaticContact CE1-NE2 2.96Å; H6-H10 PolarHBondContact CE1-NE2 3.36Å; H6-H10 AromaticContact CG-CD2 3.85Å; H6-H10 AromaticContact ND1-CD2 3.5Å; H6-H10 AromaticContact ND1-NE2 3.48Å; H6-H10 PolarHBondContact ND1-NE2 2.92Å; H6-H10 AromaticContact NE2-CD2 3.45Å; H6-H10 PolarHBondContact NE2-CD2 2.89Å; H6-H10 AromaticContact NE2-NE2 3.51Å; H6-H10 PolarHBondContact O-CD2 3.33Å; H6-H10 PolarHBondContact O-N 3.33Å
7	L	55.2	Low	55.4	Low	7 Å²	7	58.9 Å²	58.9	4%	0.037	29%	0.289	C	S	.	.	H	α-helix	trans	-55.4	-52	173.5	-179.1	63.7	0	0	0	109	F3 T9 H10 L11 I20 Y22 L158	F3-L7 HydrophobicContact CE1-CB 4.47Å; F3-L7 HydrophobicContact CE1-CD2 4.21Å; F3-L7 HydrophobicContact CE2-CB 4.38Å; F3-L7 HydrophobicContact CZ-CB 4.27Å; F3-L7 HydrophobicContact CZ-CD1 4.37Å; F3-L7 HydrophobicContact CZ-CD2 4.32Å; F3-L7 VanDerWaalsContact O-CB 3.24Å; F3-L7 WeakPolarHBondContact O-CB 3.22Å; F3-L7 PolarHBondContact O-N 3.13Å; L7-T9 VanDerWaalsContact C-N 3.26Å; L7-T9 PolarHBondContact O-N 2.91Å; L7-H10 PolarHBondContact O-N 3.18Å; L7-L11 HydrophobicContact CD1-CD2 3.63Å; L7-L11 HydrophobicContact CG-CD2 3.81Å; L7-L11 WeakPolarHBondContact O-CD2 3.44Å; L7-L11 WeakPolarHBondContact O-CG 3.29Å; L7-L11 PolarHBondContact O-N 2.96Å; L7-I20 HydrophobicContact CD2-CG2 4.37Å; L7-Y22 HydrophobicContact CD2-CG 4.37Å; L7-L158 HydrophobicContact CD1-CB 4.06Å; L7-L158 HydrophobicContact CD1-CD2 4.04Å; L7-L158 HydrophobicContact CD1-CG 4.46Å
8	A	51.4	Low	57.1	Low	49 Å²	49	59.3 Å²	59.3	41%	0.405	29%	0.29	S	S	.	.	H	α-helix	trans	-59.4	-29.5	178.7	0	0	0	0	0	114.3	A4 E5 H6 R659	A4-A8 VanDerWaalsContact O-CB 3.29Å; A4-A8 WeakPolarHBondContact O-CB 3.37Å; A4-A8 PolarHBondContact O-N 3.45Å; E5-A8 PolarHBondContact O-N 3.17Å; H6-A8 VanDerWaalsContact C-N 3.32Å; H6-A8 PolarHBondContact O-N 3.43Å; A8-R659 PolarHBondContact O-NH2 3.49Å
9	T	48.3	Very low	58.6	Low	63 Å²	63	56.3 Å²	56.3	39%	0.387	28%	0.275	S	S	.	.	H	α-helix	trans	-77	-32.7	174.5	50.9	0	0	0	0	112.9	E5 H6 L7 R659	E5-T9 WeakPolarHBondContact O-CG2 3.13Å; E5-T9 PolarHBondContact O-N 3.37Å; E5-T9 PolarHBondContact O-OG1 3.07Å; H6-T9 WeakPolarHBondContact CA-OG1 3.48Å; H6-T9 PolarHBondContact O-N 3.22Å; H6-T9 VanDerWaalsContact O-N 3.15Å; H6-T9 PolarHBondContact O-OG1 2.77Å; L7-T9 VanDerWaalsContact C-N 3.26Å; L7-T9 PolarHBondContact O-N 2.91Å; T9-R659 PolarHBondContact O-NH2 3.18Å; T9-R659 VanDerWaalsContact O-NH2 3.12Å
10	H	52.1	Low	60.1	Low	47 Å²	47	54 Å²	54	22%	0.218	26%	0.264	C	S	.	.	H	α-helix	trans	-94	-5.4	-176.8	-72.9	-81.1	0	0	0	114.7	H6 L7 T12 L158	H6-H10 AromaticContact CD2-CD2 3.81Å; H6-H10 AromaticContact CE1-CD2 3.26Å; H6-H10 PolarHBondContact CE1-CD2 3.48Å; H6-H10 AromaticContact CE1-NE2 2.96Å; H6-H10 PolarHBondContact CE1-NE2 3.36Å; H6-H10 AromaticContact CG-CD2 3.85Å; H6-H10 AromaticContact ND1-CD2 3.5Å; H6-H10 AromaticContact ND1-NE2 3.48Å; H6-H10 PolarHBondContact ND1-NE2 2.92Å; H6-H10 AromaticContact NE2-CD2 3.45Å; H6-H10 PolarHBondContact NE2-CD2 2.89Å; H6-H10 AromaticContact NE2-NE2 3.51Å; H6-H10 PolarHBondContact O-CD2 3.33Å; H6-H10 PolarHBondContact O-N 3.33Å; L7-H10 PolarHBondContact O-N 3.18Å; H10-T12 PolarHBondContact O-N 3.26Å; H10-L158 HydrophobicContact CB-CD1 4.09Å; H10-L158 HydrophobicContact CB-CD2 4.32Å
11	L	59.9	Low	61.4	Low	20 Å²	20	54.7 Å²	54.7	11%	0.105	27%	0.269	C	S	.	.	S	Bend	trans	-61.5	132.7	176.9	-62.6	-171.2	0	0	0	111.8	L7 P13 R16 Y19	L7-L11 HydrophobicContact CD1-CD2 3.63Å; L7-L11 HydrophobicContact CG-CD2 3.81Å; L7-L11 WeakPolarHBondContact O-CD2 3.44Å; L7-L11 WeakPolarHBondContact O-CG 3.29Å; L7-L11 PolarHBondContact O-N 2.96Å; L11-P13 VanDerWaalsContact O-CD 3.22Å; L11-P13 WeakPolarHBondContact O-CD 3.41Å; L11-R16 HydrophobicContact CD1-CG 3.9Å; L11-Y19 HydrophobicContact CB-CD2 4.3Å; L11-Y19 HydrophobicContact CB-CE2 4.15Å; L11-Y19 HydrophobicContact CD1-CD2 4.48Å; L11-Y19 HydrophobicContact CD2-CD1 3.53Å; L11-Y19 HydrophobicContact CD2-CD2 3.73Å; L11-Y19 HydrophobicContact CD2-CE1 3.79Å; L11-Y19 HydrophobicContact CD2-CE2 4Å; L11-Y19 HydrophobicContact CD2-CG 3.5Å; L11-Y19 HydrophobicContact CG-CD2 4.37Å
12	T	60	Low	63.7	Low	1 Å²	1	48 Å²	48	1%	0.006	24%	0.235	C	C	.	.			trans	-59.5	112.7	162.2	-45.6	0	0	0	0	109.7	H10 E14 W15 R16 Y19 L151 I661	H10-T12 PolarHBondContact O-N 3.26Å; T12-E14 VanDerWaalsContact C-N 3.28Å; T12-E14 WeakPolarHBondContact CG2-OE2 3.43Å; T12-E14 PolarHBondContact O-N 3.02Å; T12-W15 HydrophobicContact CG2-CD2 3.68Å; T12-W15 HydrophobicContact CG2-CE3 3.76Å; T12-W15 HydrophobicContact CG2-CG 4.05Å; T12-W15 HydrophobicContact CG2-CZ3 4.23Å; T12-W15 CarbonylContact O-C 3.48Å; T12-W15 PolarHBondContact O-N 3.46Å; T12-R16 PolarHBondContact O-N 3.2Å; T12-R16 VanDerWaalsContact O-N 3.07Å; T12-Y19 WeakPolarHBondContact CB-OH 3.37Å; T12-Y19 PolarHBondContact N-OH 3.11Å; T12-Y19 PolarHBondContact OG1-OH 3.4Å; T12-L151 HydrophobicContact CG2-CD1 4.29Å; T12-L151 HydrophobicContact CG2-CD2 4.03Å; T12-I661 HydrophobicContact CG2-CD1 4.13Å
13	P	52.6	Low	64.9	Low	22 Å²	22	47.9 Å²	47.9	14%	0.143	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-56.8	-41.2	-173.8	-26.7	36.3	0	0	0	112.9	L11 W15 R16 R659	L11-P13 VanDerWaalsContact O-CD 3.22Å; L11-P13 WeakPolarHBondContact O-CD 3.41Å; P13-W15 PolarHBondContact O-N 3.41Å; P13-W15 VanDerWaalsContact O-N 3.12Å; P13-R16 PolarHBondContact O-N 2.81Å; P13-R659 HydrophobicContact CB-CB 4.21Å; P13-R659 HydrophobicContact CG-CB 3.36Å
14	E	52	Low	66.5	Low	63 Å²	63	49.4 Å²	49.4	29%	0.294	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-58.7	-28.2	179.3	-59.6	68.2	-138.4	0	0	111.4	T12 V658	T12-E14 VanDerWaalsContact C-N 3.28Å; T12-E14 WeakPolarHBondContact CG2-OE2 3.43Å; T12-E14 PolarHBondContact O-N 3.02Å; E14-V658 WeakPolarHBondContact OE1-CA 3.33Å; E14-V658 WeakPolarHBondContact OE1-CB 3.31Å; E14-V658 VanDerWaalsContact OE1-CG1 3.23Å; E14-V658 WeakPolarHBondContact OE1-CG1 3.48Å; E14-V658 WeakPolarHBondContact OE1-CG2 3.42Å
15	W	76	Confident	68.4	Low	25 Å²	25	48.4 Å²	48.4	10%	0.095	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-114.1	9.5	-172	-48	-21	0	0	0	112.5	T12 P13 K17 Q18 Y19 F71 K75 L151 L152 Y155	T12-W15 HydrophobicContact CG2-CD2 3.68Å; T12-W15 HydrophobicContact CG2-CE3 3.76Å; T12-W15 HydrophobicContact CG2-CG 4.05Å; T12-W15 HydrophobicContact CG2-CZ3 4.23Å; T12-W15 CarbonylContact O-C 3.48Å; T12-W15 PolarHBondContact O-N 3.46Å; P13-W15 PolarHBondContact O-N 3.41Å; P13-W15 VanDerWaalsContact O-N 3.12Å; W15-K17 PolarHBondContact O-N 2.82Å; W15-K17 VanDerWaalsContact O-N 3.07Å; W15-Q18 HydrophobicContact CB-CB 4.35Å; W15-Q18 HydrophobicContact CB-CG 4.48Å; W15-Q18 WeakPolarHBondContact O-CA 3.32Å; W15-Q18 VanDerWaalsContact O-CB 3.25Å; W15-Q18 WeakPolarHBondContact O-CB 3.4Å; W15-Q18 PolarHBondContact O-N 3.41Å; W15-Y19 HydrophobicContact CB-CD2 4.34Å; W15-Y19 HydrophobicContact CB-CE2 3.95Å; W15-Y19 WeakPolarHBondContact O-CD2 3.43Å; W15-Y19 PolarHBondContact O-N 2.91Å; W15-F71 HydrophobicContact CB-CE1 4.04Å; W15-F71 HydrophobicContact CB-CZ 3.88Å; W15-F71 AromaticContact CD1-CZ 3.38Å; W15-F71 AromaticContact CD2-CE1 3.73Å; W15-F71 HydrophobicContact CD2-CE1 3.73Å; W15-F71 AromaticContact CD2-CZ 3.6Å; W15-F71 HydrophobicContact CD2-CZ 3.6Å; W15-F71 AromaticContact CE2-CZ 3.83Å; W15-F71 AromaticContact CE3-CE1 3.98Å; W15-F71 HydrophobicContact CE3-CE1 3.98Å; W15-F71 HydrophobicContact CE3-CZ 4.31Å; W15-F71 AromaticContact CG-CE1 3.75Å; W15-F71 HydrophobicContact CG-CE1 3.75Å; W15-F71 HydrophobicContact CG-CE2 4.36Å; W15-F71 AromaticContact CG-CZ 3.34Å; W15-F71 HydrophobicContact CG-CZ 3.34Å; W15-F71 AromaticContact NE1-CZ 3.72Å; W15-K75 HydrophobicContact CZ2-CD 4.28Å; W15-L151 HydrophobicContact CH2-CB 3.54Å; W15-L151 HydrophobicContact CZ2-CB 4.38Å; W15-L151 VanDerWaalsContact CZ3-C 3.41Å; W15-L151 HydrophobicContact CZ3-CB 3.83Å; W15-L151 WeakPolarHBondContact CZ3-O 3.41Å; W15-L152 HydrophobicContact CH2-CB 3.98Å; W15-L152 HydrophobicContact CH2-CD1 4.37Å; W15-L152 HydrophobicContact CZ3-CB 4.22Å; W15-L152 HydrophobicContact CZ3-CD1 4.27Å; W15-Y155 HydrophobicContact CB-CD2 4.43Å; W15-Y155 AromaticContact CE3-CD2 3.85Å; W15-Y155 HydrophobicContact CE3-CD2 3.85Å; W15-Y155 HydrophobicContact CE3-CG 4.1Å; W15-Y155 HydrophobicContact CZ3-CG 4.38Å
16	R	68.3	Low	70.2	Confident	88 Å²	88	46.3 Å²	46.3	33%	0.332	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-47.4	-45.3	-174.8	-175.9	-177	-69.4	162.5	1.2	112.9	L11 T12 P13 Q18 Y19 E584	L11-R16 HydrophobicContact CD1-CG 3.9Å; T12-R16 PolarHBondContact O-N 3.2Å; T12-R16 VanDerWaalsContact O-N 3.07Å; P13-R16 PolarHBondContact O-N 2.81Å; R16-Q18 PolarHBondContact O-N 2.84Å; R16-Y19 PolarHBondContact O-N 3.13Å; R16-E584 IonicContact NH1-OE1 2.8Å; R16-E584 PolarHBondContact NH1-OE1 3.15Å; R16-E584 IonicContact NH1-OE2 3.11Å; R16-E584 PolarHBondContact NH1-OE2 3.21Å
17	K	77.3	Confident	72	Confident	181 Å²	181	45.9 Å²	45.9	79%	0.787	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-70.1	-18.9	-180	-65	-177.3	178.7	178.2	0	114	W15 K67	W15-K17 PolarHBondContact O-N 2.82Å; W15-K17 VanDerWaalsContact O-N 3.07Å; K17-K67 WeakPolarHBondContact O-CD 3.47Å; K17-K67 WeakPolarHBondContact O-CE 3.31Å; K17-K67 PolarHBondContact O-NZ 3Å; K17-K67 VanDerWaalsContact O-NZ 3.13Å
18	Q	86	Confident	73.7	Confident	65 Å²	65	46.2 Å²	46.2	30%	0.304	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-88.3	-22.7	-178.5	-51.7	-61.9	-28.1	0	0	111.8	W15 R16 K67 I68 F71 Y155	W15-Q18 HydrophobicContact CB-CB 4.35Å; W15-Q18 HydrophobicContact CB-CG 4.48Å; W15-Q18 WeakPolarHBondContact O-CA 3.32Å; W15-Q18 VanDerWaalsContact O-CB 3.25Å; W15-Q18 WeakPolarHBondContact O-CB 3.4Å; W15-Q18 PolarHBondContact O-N 3.41Å; R16-Q18 PolarHBondContact O-N 2.84Å; Q18-K67 WeakPolarHBondContact O-CE 3.44Å; Q18-I68 VanDerWaalsContact O-CG1 3.23Å; Q18-I68 WeakPolarHBondContact O-CG1 3.5Å; Q18-F71 HydrophobicContact CB-CB 4.19Å; Q18-F71 HydrophobicContact CB-CD1 3.87Å; Q18-F71 HydrophobicContact CB-CD2 3.92Å; Q18-F71 HydrophobicContact CB-CE1 4.23Å; Q18-F71 HydrophobicContact CB-CE2 4.29Å; Q18-F71 HydrophobicContact CB-CG 3.69Å; Q18-F71 HydrophobicContact CB-CZ 4.44Å; Q18-F71 HydrophobicContact CG-CB 4.45Å; Q18-F71 HydrophobicContact CG-CD1 4.3Å; Q18-F71 HydrophobicContact CG-CD2 3.45Å; Q18-F71 VanDerWaalsContact CG-CD2 3.45Å; Q18-F71 HydrophobicContact CG-CE1 4.47Å; Q18-F71 HydrophobicContact CG-CE2 3.68Å; Q18-F71 HydrophobicContact CG-CG 3.79Å; Q18-F71 HydrophobicContact CG-CZ 4.19Å; Q18-Y155 HydrophobicContact CB-CE2 4.02Å; Q18-Y155 PolarHBondContact O-OH 3.09Å
19	Y	85	Confident	75.5	Confident	3 Å²	3	43.9 Å²	43.9	1%	0.012	21%	0.21	C	C	.	.	S	Bend	trans	-66.2	161.7	170.2	-73.2	-89	0	0	0	112.2	L11 T12 W15 R16 D21 K67 Y155 L158 N159	L11-Y19 HydrophobicContact CB-CD2 4.3Å; L11-Y19 HydrophobicContact CB-CE2 4.15Å; L11-Y19 HydrophobicContact CD1-CD2 4.48Å; L11-Y19 HydrophobicContact CD2-CD1 3.53Å; L11-Y19 HydrophobicContact CD2-CD2 3.73Å; L11-Y19 HydrophobicContact CD2-CE1 3.79Å; L11-Y19 HydrophobicContact CD2-CE2 4Å; L11-Y19 HydrophobicContact CD2-CG 3.5Å; L11-Y19 HydrophobicContact CG-CD2 4.37Å; T12-Y19 WeakPolarHBondContact CB-OH 3.37Å; T12-Y19 PolarHBondContact N-OH 3.11Å; T12-Y19 PolarHBondContact OG1-OH 3.4Å; W15-Y19 HydrophobicContact CB-CD2 4.34Å; W15-Y19 HydrophobicContact CB-CE2 3.95Å; W15-Y19 WeakPolarHBondContact O-CD2 3.43Å; W15-Y19 PolarHBondContact O-N 2.91Å; R16-Y19 PolarHBondContact O-N 3.13Å; Y19-D21 PolarHBondContact O-N 2.9Å; Y19-K67 WeakPolarHBondContact O-CE 3.17Å; Y19-K67 PolarHBondContact O-NZ 3.27Å; Y19-Y155 AromaticContact CD1-CD2 3.86Å; Y19-Y155 HydrophobicContact CD1-CD2 3.86Å; Y19-Y155 HydrophobicContact CD1-CE2 4.07Å; Y19-Y155 HydrophobicContact CD2-CD2 4.05Å; Y19-Y155 HydrophobicContact CD2-CE2 4.11Å; Y19-Y155 AromaticContact CE1-CD2 3.49Å; Y19-Y155 HydrophobicContact CE1-CD2 3.49Å; Y19-Y155 VanDerWaalsContact CE1-CD2 3.49Å; Y19-Y155 HydrophobicContact CE1-CE2 4.18Å; Y19-Y155 HydrophobicContact CE1-CG 4.12Å; Y19-Y155 AromaticContact CE2-CD2 3.7Å; Y19-Y155 HydrophobicContact CE2-CD2 3.7Å; Y19-Y155 HydrophobicContact CE2-CE2 4.21Å; Y19-Y155 HydrophobicContact CG-CD2 4.13Å; Y19-Y155 HydrophobicContact CG-CE2 4.03Å; Y19-Y155 AromaticContact CZ-CD2 3.4Å; Y19-L158 HydrophobicContact CD1-CB 4.46Å; Y19-L158 HydrophobicContact CE1-CB 3.96Å; Y19-L158 HydrophobicContact CE1-CD1 3.93Å; Y19-N159 WeakPolarHBondContact CA-OD1 3.35Å; Y19-N159 WeakPolarHBondContact CD1-ND2 3.5Å
20	I	88.5	Confident	77.3	Confident	9 Å²	9	42.8 Å²	42.8	5%	0.046	20%	0.199	C	C	.	.			trans	-57.3	128.5	171.4	-171.3	173.9	0	0	0	111.5	L7 Y22 L25 E64 I68 N159 F163 I166	L7-I20 HydrophobicContact CD2-CG2 4.37Å; I20-Y22 PolarHBondContact O-N 3.38Å; I20-L25 HydrophobicContact CD1-CD1 3.85Å; I20-L25 HydrophobicContact CG1-CD1 3.84Å; I20-E64 WeakPolarHBondContact CA-OE2 3.49Å; I20-I68 HydrophobicContact CB-CD1 3.89Å; I20-N159 PolarHBondContact N-OD1 3.16Å; I20-F163 HydrophobicContact CD1-CD1 3.67Å; I20-F163 HydrophobicContact CD1-CD2 4.15Å; I20-F163 HydrophobicContact CD1-CE1 3.72Å; I20-F163 HydrophobicContact CD1-CE2 4.22Å; I20-F163 HydrophobicContact CD1-CG 3.87Å; I20-F163 HydrophobicContact CD1-CZ 3.98Å; I20-F163 HydrophobicContact CG1-CE1 4.48Å; I20-F163 HydrophobicContact CG1-CZ 4.42Å; I20-I166 HydrophobicContact CD1-CG2 4.09Å
21	D	87.4	Confident	78.8	Confident	70 Å²	70	42 Å²	42	37%	0.374	20%	0.195	S	C	.	.			trans	-76.6	72.5	169.8	-165.6	-17.5	0	0	0	110.4	Y19 M23 L24 L25 E64	Y19-D21 PolarHBondContact O-N 2.9Å; D21-M23 PolarHBondContact O-N 3.2Å; D21-M23 PolarHBondContact OD1-N 3.35Å; D21-L24 HydrophobicContact CB-CB 3.98Å; D21-L24 HydrophobicContact CB-CD2 4.49Å; D21-L24 PolarHBondContact O-N 2.88Å; D21-L24 WeakPolarHBondContact OD1-CB 3.36Å; D21-L24 PolarHBondContact OD1-N 3.22Å; D21-L24 VanDerWaalsContact OD2-CB 3.31Å; D21-L24 WeakPolarHBondContact OD2-CB 3.36Å; D21-L25 WeakPolarHBondContact O-CG 3.25Å; D21-L25 PolarHBondContact O-N 3.18Å; D21-L25 VanDerWaalsContact O-N 3.15Å; D21-E64 PolarHBondContact N-OE2 3.49Å
22	Y	83.6	Confident	80.1	Confident	16 Å²	16	41 Å²	41	6%	0.063	19%	0.19	C	C	.	.	H	α-helix	trans	-57.9	-32.3	-179.1	-174.7	-92.6	0	0	0	112.2	F3 A4 L7 I20 K26 K165 I166 K169	F3-Y22 HydrophobicContact CD1-CD1 4.42Å; F3-Y22 HydrophobicContact CD1-CD2 4.2Å; F3-Y22 HydrophobicContact CD1-CE1 4.03Å; F3-Y22 AromaticContact CD1-CE2 3.78Å; F3-Y22 HydrophobicContact CD1-CE2 3.78Å; F3-Y22 AromaticContact CD1-CZ 3.7Å; F3-Y22 AromaticContact CE1-CD2 3.81Å; F3-Y22 HydrophobicContact CE1-CD2 3.81Å; F3-Y22 AromaticContact CE1-CE2 3.72Å; F3-Y22 HydrophobicContact CE1-CE2 3.72Å; F3-Y22 HydrophobicContact CE1-CG 4.3Å; A4-Y22 HydrophobicContact CB-CD1 3.95Å; A4-Y22 HydrophobicContact CB-CE1 4.1Å; L7-Y22 HydrophobicContact CD2-CG 4.37Å; I20-Y22 PolarHBondContact O-N 3.38Å; Y22-K26 HydrophobicContact CE1-CD 4.09Å; Y22-K26 WeakPolarHBondContact O-CB 3.48Å; Y22-K26 PolarHBondContact O-N 3.29Å; Y22-K165 HydrophobicContact CE2-CB 3.95Å; Y22-I166 HydrophobicContact CD2-CB 3.99Å; Y22-I166 HydrophobicContact CD2-CD1 4.16Å; Y22-I166 HydrophobicContact CD2-CG1 4.47Å; Y22-I166 HydrophobicContact CE2-CB 3.79Å; Y22-I166 HydrophobicContact CE2-CD1 3.91Å; Y22-I166 HydrophobicContact CE2-CG1 4.38Å; Y22-K169 WeakPolarHBondContact OH-CE 2.99Å
23	M	80.2	Confident	81.2	Confident	98 Å²	98	45.3 Å²	45.3	48%	0.483	21%	0.212	S	C	.	.	H	α-helix	trans	-75	-42.5	-178.2	-72.6	-62.4	-74.5	0	0	111.8	A4 D21 K26 V27	A4-M23 HydrophobicContact CB-SD 3.63Å; D21-M23 PolarHBondContact O-N 3.2Å; D21-M23 PolarHBondContact OD1-N 3.35Å; M23-K26 PolarHBondContact O-N 3.45Å; M23-V27 VanDerWaalsContact O-CG2 3.31Å; M23-V27 WeakPolarHBondContact O-CG2 3.43Å; M23-V27 PolarHBondContact O-N 3.34Å
24	L	86.7	Confident	82.7	Confident	57 Å²	57	49 Å²	49	30%	0.298	23%	0.228	S	C	.	.	H	α-helix	trans	-58.6	-51.6	173.6	176.5	64.7	0	0	0	111.2	D21 K26 V27 M28 F702	D21-L24 HydrophobicContact CB-CB 3.98Å; D21-L24 HydrophobicContact CB-CD2 4.49Å; D21-L24 PolarHBondContact O-N 2.88Å; D21-L24 WeakPolarHBondContact OD1-CB 3.36Å; D21-L24 PolarHBondContact OD1-N 3.22Å; D21-L24 VanDerWaalsContact OD2-CB 3.31Å; D21-L24 WeakPolarHBondContact OD2-CB 3.36Å; L24-K26 VanDerWaalsContact C-N 3.29Å; L24-K26 PolarHBondContact O-N 3.22Å; L24-V27 PolarHBondContact O-N 3.25Å; L24-M28 PolarHBondContact O-N 2.88Å; L24-F702 HydrophobicContact CD1-CZ 4.41Å
25	L	90.4	Very high	84.3	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-61.6	-38.8	179.5	-66.5	173	0	0	0	111.7	I20 D21 M28 I29 F57 L60 I166	I20-L25 HydrophobicContact CD1-CD1 3.85Å; I20-L25 HydrophobicContact CG1-CD1 3.84Å; D21-L25 WeakPolarHBondContact O-CG 3.25Å; D21-L25 PolarHBondContact O-N 3.18Å; D21-L25 VanDerWaalsContact O-N 3.15Å; L25-M28 PolarHBondContact O-N 2.93Å; L25-I29 WeakPolarHBondContact O-CG1 3.36Å; L25-I29 PolarHBondContact O-N 3.41Å; L25-I29 VanDerWaalsContact O-N 3.14Å; L25-F57 HydrophobicContact CB-CE2 4.09Å; L25-F57 HydrophobicContact CD2-CD2 4.33Å; L25-F57 HydrophobicContact CD2-CE2 4.08Å; L25-L60 HydrophobicContact CD2-CB 3.84Å; L25-I166 HydrophobicContact CB-CD1 3.81Å; L25-I166 HydrophobicContact CB-CG1 3.55Å; L25-I166 HydrophobicContact CD1-CG1 4.09Å; L25-I166 HydrophobicContact CD1-CG2 4.2Å; L25-I166 HydrophobicContact CG-CG1 4.46Å
26	K	86.4	Confident	84.6	Confident	52 Å²	52	50.4 Å²	50.4	23%	0.226	24%	0.242	C	C	.	.	H	α-helix	trans	-66.1	-42.9	178.1	178.1	179.1	174.9	-172.9	0	111.9	Y22 M23 L24 M28 I29 Y30 I166 K169	Y22-K26 HydrophobicContact CE1-CD 4.09Å; Y22-K26 WeakPolarHBondContact O-CB 3.48Å; Y22-K26 PolarHBondContact O-N 3.29Å; M23-K26 PolarHBondContact O-N 3.45Å; L24-K26 VanDerWaalsContact C-N 3.29Å; L24-K26 PolarHBondContact O-N 3.22Å; K26-M28 VanDerWaalsContact C-N 3.29Å; K26-I29 PolarHBondContact O-N 3.04Å; K26-Y30 HydrophobicContact CD-CE2 4.47Å; K26-Y30 HydrophobicContact CG-CD2 4.17Å; K26-Y30 HydrophobicContact CG-CE2 3.83Å; K26-Y30 WeakPolarHBondContact O-CD2 3.39Å; K26-Y30 PolarHBondContact O-N 3.09Å; K26-I166 HydrophobicContact CB-CD1 3.97Å; K26-K169 HydrophobicContact CD-CD 4.48Å; K26-K169 HydrophobicContact CG-CD 4Å
27	V	85.1	Confident	85.3	Confident	27 Å²	27	47.9 Å²	47.9	16%	0.164	24%	0.237	C	C	.	.	H	α-helix	trans	-61.2	-43.4	176.2	168.4	0	0	0	0	109.8	M23 L24 I29 Y30 E31	M23-V27 VanDerWaalsContact O-CG2 3.31Å; M23-V27 WeakPolarHBondContact O-CG2 3.43Å; M23-V27 PolarHBondContact O-N 3.34Å; L24-V27 PolarHBondContact O-N 3.25Å; V27-I29 PolarHBondContact O-N 2.71Å; V27-Y30 PolarHBondContact O-N 3.19Å; V27-E31 HydrophobicContact CG1-CG 4.17Å; V27-E31 WeakPolarHBondContact CG1-OE1 3.27Å; V27-E31 WeakPolarHBondContact O-CG 3.36Å; V27-E31 PolarHBondContact O-N 3.49Å
28	M	89.5	Confident	85.4	Confident	14 Å²	14	44.9 Å²	44.9	7%	0.069	23%	0.23	C	C	.	.	H	α-helix	trans	-58.1	-46.6	178.4	-174.1	174.4	-175.6	0	0	112.5	L24 L25 K26 Y30 E31 I32 E56 F57 L60	L24-M28 PolarHBondContact O-N 2.88Å; L25-M28 PolarHBondContact O-N 2.93Å; K26-M28 VanDerWaalsContact C-N 3.29Å; M28-Y30 VanDerWaalsContact C-N 3.28Å; M28-Y30 PolarHBondContact O-N 3.13Å; M28-E31 WeakPolarHBondContact O-CB 3.44Å; M28-E31 PolarHBondContact O-N 3.34Å; M28-E31 VanDerWaalsContact O-N 3.09Å; M28-I32 HydrophobicContact CE-CD1 4.44Å; M28-I32 HydrophobicContact CG-CD1 4.23Å; M28-I32 HydrophobicContact CG-CG1 4.46Å; M28-I32 VanDerWaalsContact O-CG1 3.27Å; M28-I32 WeakPolarHBondContact O-CG1 3.34Å; M28-I32 PolarHBondContact O-N 3.23Å; M28-E56 VanDerWaalsContact CE-C 3.47Å; M28-E56 HydrophobicContact CE-CB 3.5Å; M28-F57 HydrophobicContact CE-CB 3.92Å; M28-F57 HydrophobicContact CG-CD2 4.48Å; M28-F57 HydrophobicContact SD-CB 4.01Å; M28-F57 HydrophobicContact SD-CD2 4.15Å; M28-L60 HydrophobicContact CE-CD1 4.49Å; M28-L60 HydrophobicContact SD-CD1 3.47Å; M28-L60 WeakPolarHBondContact SD-CD1 3.27Å; M28-L60 HydrophobicContact SD-CG 4.44Å
29	I	89.3	Confident	84.9	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-55.3	-43.6	178.6	-67	164.8	0	0	0	111.6	L25 K26 V27 I32 L33 F57 I166 K169 H170 V173	L25-I29 WeakPolarHBondContact O-CG1 3.36Å; L25-I29 PolarHBondContact O-N 3.41Å; L25-I29 VanDerWaalsContact O-N 3.14Å; K26-I29 PolarHBondContact O-N 3.04Å; V27-I29 PolarHBondContact O-N 2.71Å; I29-I32 PolarHBondContact O-N 2.69Å; I29-L33 PolarHBondContact O-N 2.92Å; I29-F57 HydrophobicContact CD1-CE2 3.72Å; I29-F57 HydrophobicContact CD1-CZ 3.88Å; I29-F57 HydrophobicContact CG1-CD2 4Å; I29-F57 HydrophobicContact CG1-CE2 3.54Å; I29-F57 HydrophobicContact CG1-CZ 4.06Å; I29-I166 HydrophobicContact CD1-CD1 3.74Å; I29-I166 HydrophobicContact CD1-CG1 4.11Å; I29-K169 HydrophobicContact CD1-CB 4.35Å; I29-K169 HydrophobicContact CD1-CD 4.36Å; I29-K169 HydrophobicContact CD1-CG 4.06Å; I29-H170 HydrophobicContact CD1-CB 4.01Å; I29-H170 HydrophobicContact CG1-CB 4.41Å; I29-V173 HydrophobicContact CG2-CB 3.75Å; I29-V173 HydrophobicContact CG2-CG1 3.78Å; I29-V173 HydrophobicContact CG2-CG2 4.18Å
30	Y	86.8	Confident	84.5	Confident	41 Å²	41	56.8 Å²	56.8	16%	0.161	29%	0.285	C	S	.	.	H	α-helix	trans	-72.8	-35	177.8	-73.2	-67	0	0	0	112.9	K26 V27 M28 I32 L33 E34 V173 F691	K26-Y30 HydrophobicContact CD-CE2 4.47Å; K26-Y30 HydrophobicContact CG-CD2 4.17Å; K26-Y30 HydrophobicContact CG-CE2 3.83Å; K26-Y30 WeakPolarHBondContact O-CD2 3.39Å; K26-Y30 PolarHBondContact O-N 3.09Å; V27-Y30 PolarHBondContact O-N 3.19Å; M28-Y30 VanDerWaalsContact C-N 3.28Å; M28-Y30 PolarHBondContact O-N 3.13Å; Y30-I32 VanDerWaalsContact C-N 3.26Å; Y30-I32 PolarHBondContact O-N 2.85Å; Y30-L33 PolarHBondContact O-N 3.11Å; Y30-E34 PolarHBondContact O-N 3.12Å; Y30-V173 HydrophobicContact CE1-CG2 4.47Å; Y30-F691 HydrophobicContact CD1-CE1 4.11Å; Y30-F691 HydrophobicContact CD1-CZ 4.04Å; Y30-F691 HydrophobicContact CD2-CE1 4.26Å; Y30-F691 AromaticContact CD2-CE2 3.71Å; Y30-F691 HydrophobicContact CD2-CE2 3.71Å; Y30-F691 AromaticContact CD2-CZ 3.38Å; Y30-F691 HydrophobicContact CD2-CZ 3.38Å; Y30-F691 HydrophobicContact CE2-CE2 4.24Å; Y30-F691 HydrophobicContact CE2-CZ 4.26Å; Y30-F691 AromaticContact CG-CE1 3.74Å; Y30-F691 HydrophobicContact CG-CE1 3.74Å; Y30-F691 HydrophobicContact CG-CE2 4.06Å; Y30-F691 AromaticContact CG-CZ 3.27Å; Y30-F691 HydrophobicContact CG-CZ 3.27Å
31	E	83.5	Confident	83.9	Confident	30 Å²	30	61.9 Å²	61.9	14%	0.14	32%	0.317	C	S	.	.	H	α-helix	trans	-63.2	-32.9	173.8	-76.2	179.6	179.6	0	0	112.2	V27 M28 N35 R53 V695	V27-E31 HydrophobicContact CG1-CG 4.17Å; V27-E31 WeakPolarHBondContact CG1-OE1 3.27Å; V27-E31 WeakPolarHBondContact O-CG 3.36Å; V27-E31 PolarHBondContact O-N 3.49Å; M28-E31 WeakPolarHBondContact O-CB 3.44Å; M28-E31 PolarHBondContact O-N 3.34Å; M28-E31 VanDerWaalsContact O-N 3.09Å; E31-N35 WeakPolarHBondContact O-CB 3.07Å; E31-N35 PolarHBondContact O-N 3.41Å; E31-N35 VanDerWaalsContact O-N 3.13Å; E31-N35 PolarHBondContact O-ND2 3.23Å; E31-R53 IonicContact OE2-NH2 3.67Å; E31-V695 HydrophobicContact CG-CG1 4.28Å
32	I	87.3	Confident	83.6	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-63	-45.7	173.5	-64.5	174.5	0	0	0	109.8	M28 I29 Y30 A36 Y49 M50 R53 F57 L174	M28-I32 HydrophobicContact CE-CD1 4.44Å; M28-I32 HydrophobicContact CG-CD1 4.23Å; M28-I32 HydrophobicContact CG-CG1 4.46Å; M28-I32 VanDerWaalsContact O-CG1 3.27Å; M28-I32 WeakPolarHBondContact O-CG1 3.34Å; M28-I32 PolarHBondContact O-N 3.23Å; I29-I32 PolarHBondContact O-N 2.69Å; Y30-I32 VanDerWaalsContact C-N 3.26Å; Y30-I32 PolarHBondContact O-N 2.85Å; I32-A36 WeakPolarHBondContact O-CB 3.4Å; I32-A36 PolarHBondContact O-N 3Å; I32-Y49 HydrophobicContact CG2-CE1 4.38Å; I32-Y49 WeakPolarHBondContact O-CE1 3.17Å; I32-M50 HydrophobicContact CG2-SD 3.69Å; I32-R53 HydrophobicContact CD1-CB 3.88Å; I32-R53 HydrophobicContact CG1-CB 3.79Å; I32-R53 HydrophobicContact CG1-CG 4.4Å; I32-R53 HydrophobicContact CG2-CB 4.01Å; I32-F57 HydrophobicContact CD1-CB 4.31Å; I32-L174 HydrophobicContact CB-CD2 4.43Å; I32-L174 HydrophobicContact CG2-CD1 4.28Å; I32-L174 HydrophobicContact CG2-CD2 3.93Å
33	L	84	Confident	83.6	Confident	90 Å²	90	65.1 Å²	65.1	47%	0.471	34%	0.339	S	S	.	.	H	α-helix	trans	-67.1	-43.9	179.1	-174.2	68.2	0	0	0	112.6	I29 Y30 A36 V173	I29-L33 PolarHBondContact O-N 2.92Å; Y30-L33 PolarHBondContact O-N 3.11Å; L33-A36 WeakPolarHBondContact O-CB 3.48Å; L33-A36 PolarHBondContact O-N 3.43Å; L33-V173 HydrophobicContact CB-CG1 4.49Å; L33-V173 HydrophobicContact CD2-CG1 3.95Å
34	E	82.2	Confident	83.8	Confident	100 Å²	100	67.1 Å²	67.1	47%	0.467	35%	0.347	S	S	.	.	H	α-helix	trans	-72.7	-31.9	-175.2	-174.1	171.9	-171.6	0	0	113.3	Y30 V695	Y30-E34 PolarHBondContact O-N 3.12Å; E34-V695 VanDerWaalsContact OE2-CG1 3.28Å; E34-V695 WeakPolarHBondContact OE2-CG1 3.27Å
35	N	86.3	Confident	83.8	Confident	97 Å²	97	69.1 Å²	69.1	52%	0.519	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	7.4	179.5	-61.8	-68.4	0	0	0	112.9	E31 Y49	E31-N35 WeakPolarHBondContact O-CB 3.07Å; E31-N35 PolarHBondContact O-N 3.41Å; E31-N35 VanDerWaalsContact O-N 3.13Å; E31-N35 PolarHBondContact O-ND2 3.23Å; N35-Y49 VanDerWaalsContact CB-OH 3.25Å; N35-Y49 WeakPolarHBondContact CB-OH 3.23Å
36	A	83	Confident	83.5	Confident	21 Å²	21	70.8 Å²	70.8	17%	0.174	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-63.5	127.8	174.1	0	0	0	0	0	109.5	I32 L33 Y49 M50	I32-A36 WeakPolarHBondContact O-CB 3.4Å; I32-A36 PolarHBondContact O-N 3Å; L33-A36 WeakPolarHBondContact O-CB 3.48Å; L33-A36 PolarHBondContact O-N 3.43Å; A36-Y49 HydrophobicContact CB-CD1 4.44Å; A36-Y49 HydrophobicContact CB-CE1 4.28Å; A36-M50 HydrophobicContact CB-CE 3.35Å
37	P	82.1	Confident	83.4	Confident	35 Å²	35	74.3 Å²	74.3	23%	0.227	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-64.6	143.2	172.9	27.4	-32.3	0	0	0	109.6	Q39 L45 H46 Y49	P37-Q39 PolarHBondContact O-N 3.36Å; P37-L45 HydrophobicContact CB-CD2 4.24Å; P37-L45 HydrophobicContact CG-CD2 4.41Å; P37-L45 HydrophobicContact CG-CG 4.21Å; P37-H46 HydrophobicContact CG-CB 4.35Å; P37-H46 PolarHBondContact O-ND1 3.38Å; P37-Y49 HydrophobicContact CG-CG 4.39Å
38	D	79	Confident	83.5	Confident	117 Å²	117	81.8 Å²	81.8	63%	0.626	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-54.6	125.3	-179.6	-68	-37.2	0	0	0	110.4	E40 V41	D38-E40 PolarHBondContact O-N 3.06Å; D38-V41 HydrophobicContact CB-CB 4.42Å; D38-V41 HydrophobicContact CB-CG2 3.82Å; D38-V41 PolarHBondContact O-N 2.93Å
39	Q	76.4	Confident	83.4	Confident	120 Å²	120	83.8 Å²	83.8	56%	0.561	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-35.2	-176.4	-171.2	168.8	0.4	0	0	111.1	P37 V41 S42 D43	P37-Q39 PolarHBondContact O-N 3.36Å; Q39-V41 VanDerWaalsContact C-N 3.27Å; Q39-V41 PolarHBondContact O-N 3.09Å; Q39-S42 PolarHBondContact O-N 3.42Å; Q39-D43 WeakPolarHBondContact CG-OD1 3.48Å; Q39-D43 PolarHBondContact O-N 3.41Å
40	E	76.6	Confident	83.3	Confident	198 Å²	198	85.2 Å²	85.2	93%	0.925	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-26.7	176.9	-60.6	-177.8	177	0	0	114.1	D38	D38-E40 PolarHBondContact O-N 3.06Å
41	V	75	Confident	83.4	Confident	116 Å²	116	90.4 Å²	90.4	70%	0.703	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-35.6	-176	178.1	0	0	0	0	111.3	D38 Q39	D38-V41 HydrophobicContact CB-CB 4.42Å; D38-V41 HydrophobicContact CB-CG2 3.82Å; D38-V41 PolarHBondContact O-N 2.93Å; Q39-V41 VanDerWaalsContact C-N 3.27Å; Q39-V41 PolarHBondContact O-N 3.09Å
42	S	81.3	Confident	83.7	Confident	50 Å²	50	95.5 Å²	95.5	35%	0.35	47%	0.473	S	S	.	.			trans	-172.4	99.5	175.2	163.7	0	0	0	0	111.8	Q39 Q44 L45 H46	Q39-S42 PolarHBondContact O-N 3.42Å; S42-Q44 VanDerWaalsContact C-N 3.27Å; S42-Q44 PolarHBondContact O-N 2.95Å; S42-L45 WeakPolarHBondContact O-CB 3.28Å; S42-L45 PolarHBondContact O-N 3.22Å; S42-L45 VanDerWaalsContact OG-CB 3.29Å; S42-L45 WeakPolarHBondContact OG-CB 3.42Å; S42-L45 PolarHBondContact OG-N 3.28Å; S42-H46 PolarHBondContact O-N 3.45Å
43	D	83.4	Confident	83.8	Confident	104 Å²	104	97.6 Å²	97.6	56%	0.556	48%	0.481	S	S	*	.	H	α-helix	trans	-49.4	-43.3	175.7	-76.4	-34.7	0	0	0	113.7	Q39 L45 H46 L47	Q39-D43 WeakPolarHBondContact CG-OD1 3.48Å; Q39-D43 PolarHBondContact O-N 3.41Å; D43-L45 VanDerWaalsContact C-N 3.3Å; D43-L45 PolarHBondContact O-N 3.14Å; D43-H46 PolarHBondContact O-N 3.34Å; D43-L47 WeakPolarHBondContact O-CB 3.47Å; D43-L47 PolarHBondContact O-N 3.45Å
44	Q	86.1	Confident	84.1	Confident	140 Å²	140	94.5 Å²	94.5	65%	0.654	46%	0.464	S	S	*	.	H	α-helix	trans	-64.8	-34.4	-179.4	-69.1	-172.4	1	0	0	112.8	S42 R48	S42-Q44 VanDerWaalsContact C-N 3.27Å; S42-Q44 PolarHBondContact O-N 2.95Å; Q44-R48 WeakPolarHBondContact O-CB 3.22Å; Q44-R48 VanDerWaalsContact O-CG 3.22Å; Q44-R48 WeakPolarHBondContact O-CG 3.3Å; Q44-R48 PolarHBondContact O-N 3.21Å; Q44-R48 VanDerWaalsContact O-N 3.13Å
45	L	86	Confident	84.6	Confident	100 Å²	100	91.8 Å²	91.8	52%	0.524	46%	0.463	S	S	.	.	H	α-helix	trans	-74.5	-41.8	179.1	-175.3	68.5	0	0	0	109.9	P37 S42 D43 R48 Y49	P37-L45 HydrophobicContact CB-CD2 4.24Å; P37-L45 HydrophobicContact CG-CD2 4.41Å; P37-L45 HydrophobicContact CG-CG 4.21Å; S42-L45 WeakPolarHBondContact O-CB 3.28Å; S42-L45 PolarHBondContact O-N 3.22Å; S42-L45 VanDerWaalsContact OG-CB 3.29Å; S42-L45 WeakPolarHBondContact OG-CB 3.42Å; S42-L45 PolarHBondContact OG-N 3.28Å; D43-L45 VanDerWaalsContact C-N 3.3Å; D43-L45 PolarHBondContact O-N 3.14Å; L45-R48 PolarHBondContact O-N 3.44Å; L45-Y49 VanDerWaalsContact O-CB 3.29Å; L45-Y49 WeakPolarHBondContact O-CB 3.48Å; L45-Y49 PolarHBondContact O-N 2.91Å
46	H	83.1	Confident	84.8	Confident	35 Å²	35	90.5 Å²	90.5	16%	0.162	45%	0.454	C	S	.	.	H	α-helix	trans	-58.5	-50.8	173.7	-173.6	93.2	0	0	0	111.7	P37 S42 D43 R48 Y49 M50	P37-H46 HydrophobicContact CG-CB 4.35Å; P37-H46 PolarHBondContact O-ND1 3.38Å; S42-H46 PolarHBondContact O-N 3.45Å; D43-H46 PolarHBondContact O-N 3.34Å; H46-R48 PolarHBondContact O-N 3.26Å; H46-Y49 WeakPolarHBondContact O-CB 3.38Å; H46-Y49 PolarHBondContact O-N 3.11Å; H46-M50 WeakPolarHBondContact CE1-CE 3.37Å; H46-M50 WeakPolarHBondContact NE2-CE 3.47Å; H46-M50 WeakPolarHBondContact O-CG 3.49Å; H46-M50 PolarHBondContact O-N 2.93Å
47	L	85.6	Confident	85.4	Confident	126 Å²	126	89.5 Å²	89.5	66%	0.66	45%	0.446	S	S	*	.	H	α-helix	trans	-62.7	-43.1	179.9	-171.2	67.8	0	0	0	112.4	D43 Y49 M50 H51	D43-L47 WeakPolarHBondContact O-CB 3.47Å; D43-L47 PolarHBondContact O-N 3.45Å; L47-Y49 VanDerWaalsContact C-N 3.32Å; L47-Y49 PolarHBondContact O-N 3.01Å; L47-M50 PolarHBondContact O-N 3.44Å; L47-H51 WeakPolarHBondContact O-CB 3.34Å; L47-H51 PolarHBondContact O-N 3.29Å
48	R	86.8	Confident	86.1	Confident	184 Å²	184	89.3 Å²	89.3	69%	0.694	44%	0.442	S	S	*	.	H	α-helix	trans	-63.4	-38.3	175.8	-76.5	176.7	-178.3	179.4	4.1	112.1	Q44 L45 H46 K52	Q44-R48 WeakPolarHBondContact O-CB 3.22Å; Q44-R48 VanDerWaalsContact O-CG 3.22Å; Q44-R48 WeakPolarHBondContact O-CG 3.3Å; Q44-R48 PolarHBondContact O-N 3.21Å; Q44-R48 VanDerWaalsContact O-N 3.13Å; L45-R48 PolarHBondContact O-N 3.44Å; H46-R48 PolarHBondContact O-N 3.26Å; R48-K52 WeakPolarHBondContact O-CB 3.44Å; R48-K52 PolarHBondContact O-N 2.99Å
49	Y	88.6	Confident	86.8	Confident	56 Å²	56	86.5 Å²	86.5	22%	0.22	44%	0.435	C	S	.	.	H	α-helix	trans	-63.7	-51.4	175.9	176.8	-88.4	0	0	0	110.9	I32 N35 A36 P37 L45 H46 L47 K52 R53	I32-Y49 HydrophobicContact CG2-CE1 4.38Å; I32-Y49 WeakPolarHBondContact O-CE1 3.17Å; N35-Y49 VanDerWaalsContact CB-OH 3.25Å; N35-Y49 WeakPolarHBondContact CB-OH 3.23Å; A36-Y49 HydrophobicContact CB-CD1 4.44Å; A36-Y49 HydrophobicContact CB-CE1 4.28Å; P37-Y49 HydrophobicContact CG-CG 4.39Å; L45-Y49 VanDerWaalsContact O-CB 3.29Å; L45-Y49 WeakPolarHBondContact O-CB 3.48Å; L45-Y49 PolarHBondContact O-N 2.91Å; H46-Y49 WeakPolarHBondContact O-CB 3.38Å; H46-Y49 PolarHBondContact O-N 3.11Å; L47-Y49 VanDerWaalsContact C-N 3.32Å; L47-Y49 PolarHBondContact O-N 3.01Å; Y49-K52 PolarHBondContact O-N 2.97Å; Y49-R53 HydrophobicContact CD1-CG 4.25Å; Y49-R53 HydrophobicContact CD2-CG 4.44Å; Y49-R53 HydrophobicContact CE1-CG 3.8Å; Y49-R53 HydrophobicContact CE2-CG 4.03Å; Y49-R53 WeakPolarHBondContact O-CB 3.5Å; Y49-R53 VanDerWaalsContact O-CG 3.32Å; Y49-R53 WeakPolarHBondContact O-CG 3.1Å; Y49-R53 PolarHBondContact O-N 2.9Å
50	M	86.2	Confident	87.6	Confident	29 Å²	29	83.4 Å²	83.4	14%	0.143	42%	0.422	C	S	.	.	H	α-helix	trans	-59.2	-51.3	179.6	-69.6	-58	-178	0	0	111.6	I32 A36 H46 L47 K52 R53 D54	I32-M50 HydrophobicContact CG2-SD 3.69Å; A36-M50 HydrophobicContact CB-CE 3.35Å; H46-M50 WeakPolarHBondContact CE1-CE 3.37Å; H46-M50 WeakPolarHBondContact NE2-CE 3.47Å; H46-M50 WeakPolarHBondContact O-CG 3.49Å; H46-M50 PolarHBondContact O-N 2.93Å; L47-M50 PolarHBondContact O-N 3.44Å; M50-K52 VanDerWaalsContact C-N 3.3Å; M50-K52 PolarHBondContact O-N 2.92Å; M50-R53 PolarHBondContact O-N 3.37Å; M50-R53 VanDerWaalsContact O-N 3.09Å; M50-D54 WeakPolarHBondContact O-CB 3.41Å; M50-D54 PolarHBondContact O-N 3.04Å
51	H	88.1	Confident	88.5	Confident	151 Å²	151	74 Å²	74	70%	0.699	38%	0.378	S	S	*	.	H	α-helix	trans	-59	-40	-179.8	-175.1	-83.1	0	0	0	112.8	L47 G55	L47-H51 WeakPolarHBondContact O-CB 3.34Å; L47-H51 PolarHBondContact O-N 3.29Å; H51-G55 PolarHBondContact O-N 3.09Å; H51-G55 VanDerWaalsContact O-N 3.16Å
52	K	90.3	Very high	89.5	Confident	136 Å²	136	70.5 Å²	70.5	59%	0.591	36%	0.361	S	S	*	.	H	α-helix	trans	-65	-44.7	176.6	-178.4	-177.9	174.6	-174.5	0	111.4	R48 Y49 M50 G55 E56	R48-K52 WeakPolarHBondContact O-CB 3.44Å; R48-K52 PolarHBondContact O-N 2.99Å; Y49-K52 PolarHBondContact O-N 2.97Å; M50-K52 VanDerWaalsContact C-N 3.3Å; M50-K52 PolarHBondContact O-N 2.92Å; K52-G55 PolarHBondContact O-N 3.28Å; K52-E56 WeakPolarHBondContact CE-OE1 3.08Å; K52-E56 WeakPolarHBondContact O-CG 3.31Å; K52-E56 PolarHBondContact O-N 3.08Å; K52-E56 VanDerWaalsContact O-N 3.11Å
53	R	90.5	Very high	90.2	Very high	45 Å²	45	74.2 Å²	74.2	17%	0.17	37%	0.373	C	S	.	.	H	α-helix	trans	-73.9	-35.2	-176.2	-69.8	-66	-71.4	169.6	-4.7	113	E31 I32 Y49 M50 G55 E56 F57	E31-R53 IonicContact OE2-NH2 3.67Å; I32-R53 HydrophobicContact CD1-CB 3.88Å; I32-R53 HydrophobicContact CG1-CB 3.79Å; I32-R53 HydrophobicContact CG1-CG 4.4Å; I32-R53 HydrophobicContact CG2-CB 4.01Å; Y49-R53 HydrophobicContact CD1-CG 4.25Å; Y49-R53 HydrophobicContact CD2-CG 4.44Å; Y49-R53 HydrophobicContact CE1-CG 3.8Å; Y49-R53 HydrophobicContact CE2-CG 4.03Å; Y49-R53 WeakPolarHBondContact O-CB 3.5Å; Y49-R53 VanDerWaalsContact O-CG 3.32Å; Y49-R53 WeakPolarHBondContact O-CG 3.1Å; Y49-R53 PolarHBondContact O-N 2.9Å; M50-R53 PolarHBondContact O-N 3.37Å; M50-R53 VanDerWaalsContact O-N 3.09Å; R53-G55 VanDerWaalsContact C-N 3.32Å; R53-E56 WeakPolarHBondContact CD-OE2 3.25Å; R53-E56 IonicContact CZ-OE2 3.75Å; R53-E56 IonicContact NE-OE2 3.74Å; R53-E56 IonicContact NH1-OE2 2.98Å; R53-E56 PolarHBondContact NH1-OE2 3.46Å; R53-E56 PolarHBondContact O-N 3.26Å; R53-F57 PolarHBondContact O-N 3.26Å
54	D	90.5	Very high	90.7	Very high	24 Å²	24	70.4 Å²	70.4	13%	0.128	35%	0.352	C	S	.	.	H	α-helix	trans	-59	-46.1	169.5	-80	8.4	0	0	0	110.2	M50 E56 F57 F58 H170 L174 N176	M50-D54 WeakPolarHBondContact O-CB 3.41Å; M50-D54 PolarHBondContact O-N 3.04Å; D54-E56 VanDerWaalsContact C-N 3.32Å; D54-E56 PolarHBondContact O-N 2.84Å; D54-F57 WeakPolarHBondContact O-CB 3.28Å; D54-F57 PolarHBondContact O-N 3.34Å; D54-F57 VanDerWaalsContact O-N 3.11Å; D54-F58 HydrophobicContact CB-CD2 4.46Å; D54-F58 HydrophobicContact CB-CE2 4.29Å; D54-F58 WeakPolarHBondContact O-CD2 3.29Å; D54-F58 PolarHBondContact O-N 3.46Å; D54-H170 IonicContact OD1-NE2 3.01Å; D54-L174 WeakPolarHBondContact OD1-CD1 3.32Å; D54-N176 PolarHBondContact OD2-ND2 3.27Å
55	G	91	Very high	91.2	Very high	43 Å²	43	64.4 Å²	64.4	44%	0.443	33%	0.325	S	S	.	.	H	α-helix	trans	-57.7	-41.4	174.5	0	0	0	0	0	113.3	H51 K52 R53 A59	H51-G55 PolarHBondContact O-N 3.09Å; H51-G55 VanDerWaalsContact O-N 3.16Å; K52-G55 PolarHBondContact O-N 3.28Å; R53-G55 VanDerWaalsContact C-N 3.32Å; G55-A59 WeakPolarHBondContact O-CB 3.5Å; G55-A59 PolarHBondContact O-N 3.42Å
56	E	92.3	Very high	91.6	Very high	71 Å²	71	67.1 Å²	67.1	33%	0.332	33%	0.332	S	S	.	.	H	α-helix	trans	-66.4	-38.6	174.8	-68.4	173.4	-174.1	0	0	112	M28 K52 R53 D54 A59 L60	M28-E56 VanDerWaalsContact CE-C 3.47Å; M28-E56 HydrophobicContact CE-CB 3.5Å; K52-E56 WeakPolarHBondContact CE-OE1 3.08Å; K52-E56 WeakPolarHBondContact O-CG 3.31Å; K52-E56 PolarHBondContact O-N 3.08Å; K52-E56 VanDerWaalsContact O-N 3.11Å; R53-E56 WeakPolarHBondContact CD-OE2 3.25Å; R53-E56 IonicContact CZ-OE2 3.75Å; R53-E56 IonicContact NE-OE2 3.74Å; R53-E56 IonicContact NH1-OE2 2.98Å; R53-E56 PolarHBondContact NH1-OE2 3.46Å; R53-E56 PolarHBondContact O-N 3.26Å; D54-E56 VanDerWaalsContact C-N 3.32Å; D54-E56 PolarHBondContact O-N 2.84Å; E56-A59 PolarHBondContact O-N 3.12Å; E56-L60 PolarHBondContact O-N 2.89Å; E56-L60 VanDerWaalsContact O-N 3.12Å
57	F	94.6	Very high	92.2	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-65.4	-47.3	177.8	171.5	-98.9	0	0	0	111.6	L25 M28 I29 I32 R53 D54 A59 L60 C61 I166 L167 H170	L25-F57 HydrophobicContact CB-CE2 4.09Å; L25-F57 HydrophobicContact CD2-CD2 4.33Å; L25-F57 HydrophobicContact CD2-CE2 4.08Å; M28-F57 HydrophobicContact CE-CB 3.92Å; M28-F57 HydrophobicContact CG-CD2 4.48Å; M28-F57 HydrophobicContact SD-CB 4.01Å; M28-F57 HydrophobicContact SD-CD2 4.15Å; I29-F57 HydrophobicContact CD1-CE2 3.72Å; I29-F57 HydrophobicContact CD1-CZ 3.88Å; I29-F57 HydrophobicContact CG1-CD2 4Å; I29-F57 HydrophobicContact CG1-CE2 3.54Å; I29-F57 HydrophobicContact CG1-CZ 4.06Å; I32-F57 HydrophobicContact CD1-CB 4.31Å; R53-F57 PolarHBondContact O-N 3.26Å; D54-F57 WeakPolarHBondContact O-CB 3.28Å; D54-F57 PolarHBondContact O-N 3.34Å; D54-F57 VanDerWaalsContact O-N 3.11Å; F57-A59 VanDerWaalsContact C-N 3.3Å; F57-A59 PolarHBondContact O-N 3.47Å; F57-L60 PolarHBondContact O-N 3.36Å; F57-C61 PolarHBondContact O-N 3.41Å; F57-C61 PolarHBondContact O-SG 2.91Å; F57-I166 HydrophobicContact CE2-CG1 4.34Å; F57-I166 HydrophobicContact CZ-CG1 4.18Å; F57-L167 HydrophobicContact CE1-CD2 4.06Å; F57-H170 AromaticContact CD1-CD2 3.38Å; F57-H170 WeakPolarHBondContact CD1-CD2 3.22Å; F57-H170 AromaticContact CD1-NE2 3.88Å; F57-H170 HydrophobicContact CE1-CB 3.92Å; F57-H170 AromaticContact CE1-CD2 3.41Å; F57-H170 VanDerWaalsContact CE1-CD2 3.41Å; F57-H170 WeakPolarHBondContact CE1-CD2 3.48Å; F57-H170 AromaticContact CE1-CG 3.84Å; F57-H170 HydrophobicContact CZ-CB 4.07Å
58	F	96.3	Very high	92.6	Very high	30 Å²	30	61.9 Å²	61.9	13%	0.132	30%	0.304	C	S	.	.	H	α-helix	trans	-67.2	-30.3	176.7	-69	-58.9	0	0	0	112.7	D54 C61 A62 L167 H170 A178 W182	D54-F58 HydrophobicContact CB-CD2 4.46Å; D54-F58 HydrophobicContact CB-CE2 4.29Å; D54-F58 WeakPolarHBondContact O-CD2 3.29Å; D54-F58 PolarHBondContact O-N 3.46Å; F58-C61 PolarHBondContact O-N 2.63Å; F58-A62 WeakPolarHBondContact O-CB 3.45Å; F58-A62 PolarHBondContact O-N 2.89Å; F58-L167 HydrophobicContact CD1-CD2 4.45Å; F58-L167 HydrophobicContact CE1-CD2 3.92Å; F58-H170 AromaticContact CE2-NE2 3.91Å; F58-H170 AromaticContact CZ-CE1 3.65Å; F58-H170 AromaticContact CZ-NE2 3.77Å; F58-A178 HydrophobicContact CE2-CB 4.16Å; F58-A178 HydrophobicContact CZ-CB 4.03Å; F58-W182 HydrophobicContact CD1-CB 3.84Å; F58-W182 AromaticContact CD1-CD1 3.48Å; F58-W182 VanDerWaalsContact CD1-CD1 3.48Å; F58-W182 AromaticContact CD1-CD2 3.73Å; F58-W182 HydrophobicContact CD1-CD2 3.73Å; F58-W182 HydrophobicContact CD1-CE3 4.45Å; F58-W182 AromaticContact CD1-CG 3.39Å; F58-W182 HydrophobicContact CD1-CG 3.39Å; F58-W182 AromaticContact CD1-NE1 3.86Å; F58-W182 HydrophobicContact CE1-CB 3.53Å; F58-W182 HydrophobicContact CE1-CD2 4.21Å; F58-W182 AromaticContact CE1-CG 3.65Å; F58-W182 HydrophobicContact CE1-CG 3.65Å; F58-W182 AromaticContact CG-CD1 3.83Å; F58-W182 HydrophobicContact CG-CG 4.2Å; F58-W182 HydrophobicContact CZ-CB 4.23Å
59	A	94.5	Very high	93	Very high	59 Å²	59	54.4 Å²	54.4	49%	0.488	28%	0.277	S	S	.	.	H	α-helix	trans	-63.4	-42.2	171.6	0	0	0	0	0	112.1	G55 E56 F57 A62 E63	G55-A59 WeakPolarHBondContact O-CB 3.5Å; G55-A59 PolarHBondContact O-N 3.42Å; E56-A59 PolarHBondContact O-N 3.12Å; F57-A59 VanDerWaalsContact C-N 3.3Å; F57-A59 PolarHBondContact O-N 3.47Å; A59-A62 PolarHBondContact O-N 2.99Å; A59-E63 PolarHBondContact O-N 3.11Å
60	L	93.8	Very high	93.3	Very high	54 Å²	54	57.8 Å²	57.8	28%	0.283	30%	0.299	S	S	.	.	H	α-helix	trans	-66.6	-41.4	173.2	-69.7	-177	0	0	0	112	L25 M28 E56 F57 A62 E63 E64	L25-L60 HydrophobicContact CD2-CB 3.84Å; M28-L60 HydrophobicContact CE-CD1 4.49Å; M28-L60 HydrophobicContact SD-CD1 3.47Å; M28-L60 WeakPolarHBondContact SD-CD1 3.27Å; M28-L60 HydrophobicContact SD-CG 4.44Å; E56-L60 PolarHBondContact O-N 2.89Å; E56-L60 VanDerWaalsContact O-N 3.12Å; F57-L60 PolarHBondContact O-N 3.36Å; L60-A62 VanDerWaalsContact C-N 3.27Å; L60-A62 PolarHBondContact O-N 3.45Å; L60-E63 PolarHBondContact O-N 3.03Å; L60-E64 WeakPolarHBondContact O-CG 3.39Å; L60-E64 PolarHBondContact O-N 3.12Å
61	C	95.2	Very high	93.5	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-58.7	-39.8	173.7	-73.8	0	0	0	0	111.7	F57 F58 L65 F163 W182	F57-C61 PolarHBondContact O-N 3.41Å; F57-C61 PolarHBondContact O-SG 2.91Å; F58-C61 PolarHBondContact O-N 2.63Å; C61-L65 WeakPolarHBondContact O-CB 3.32Å; C61-L65 PolarHBondContact O-N 3.42Å; C61-F163 HydrophobicContact CB-CE1 4.49Å; C61-W182 HydrophobicContact CB-CH2 3.59Å; C61-W182 HydrophobicContact CB-CZ2 3.95Å; C61-W182 HydrophobicContact CB-CZ3 3.9Å
62	A	95.6	Very high	93.8	Very high	44 Å²	44	50.5 Å²	50.5	36%	0.364	26%	0.264	S	S	.	.	H	α-helix	trans	-66.8	-39	176.3	0	0	0	0	0	112.4	F58 A59 L60 L65 K66 W182	F58-A62 WeakPolarHBondContact O-CB 3.45Å; F58-A62 PolarHBondContact O-N 2.89Å; A59-A62 PolarHBondContact O-N 2.99Å; L60-A62 VanDerWaalsContact C-N 3.27Å; L60-A62 PolarHBondContact O-N 3.45Å; A62-L65 PolarHBondContact O-N 3.47Å; A62-K66 WeakPolarHBondContact O-CB 3.34Å; A62-K66 PolarHBondContact O-N 3.07Å; A62-W182 HydrophobicContact CB-CZ2 4.12Å
63	E	95.1	Very high	94	Very high	127 Å²	127	51.4 Å²	51.4	59%	0.593	27%	0.268	S	S	*	.	H	α-helix	trans	-63.7	-46.7	174.8	-173.9	172.3	-170	0	0	111.5	A59 L60 L65 K66 K67	A59-E63 PolarHBondContact O-N 3.11Å; L60-E63 PolarHBondContact O-N 3.03Å; E63-L65 PolarHBondContact O-N 3.23Å; E63-K66 PolarHBondContact O-N 3.42Å; E63-K67 PolarHBondContact O-N 3.14Å
64	E	94.8	Very high	94	Very high	25 Å²	25	57.1 Å²	57.1	12%	0.117	29%	0.289	C	S	.	.	H	α-helix	trans	-62.5	-41.7	175.7	-71.4	-65.9	104.5	0	0	111.7	I20 D21 L60 K66 K67 I68 F163	I20-E64 WeakPolarHBondContact CA-OE2 3.49Å; D21-E64 PolarHBondContact N-OE2 3.49Å; L60-E64 WeakPolarHBondContact O-CG 3.39Å; L60-E64 PolarHBondContact O-N 3.12Å; E64-K66 PolarHBondContact O-N 3.48Å; E64-K67 WeakPolarHBondContact O-CB 3.48Å; E64-K67 PolarHBondContact O-N 2.95Å; E64-K67 WeakPolarHBondContact OE1-CE 3.48Å; E64-K67 IonicContact OE1-NZ 3.46Å; E64-K67 PolarHBondContact OE1-NZ 2.76Å; E64-K67 WeakPolarHBondContact OE2-CE 3.1Å; E64-K67 IonicContact OE2-NZ 3.71Å; E64-K67 PolarHBondContact OE2-NZ 2.95Å; E64-I68 WeakPolarHBondContact O-CD1 3.38Å; E64-I68 VanDerWaalsContact O-CG1 3.3Å; E64-I68 WeakPolarHBondContact O-CG1 3.27Å; E64-I68 PolarHBondContact O-N 3.27Å; E64-F163 HydrophobicContact CB-CZ 4.2Å
65	L	96.2	Very high	94	Very high	14 Å²	14	58.5 Å²	58.5	7%	0.073	29%	0.294	C	S	.	.	H	α-helix	trans	-64.8	-40.5	177.3	180	61.2	0	0	0	111.4	C61 A62 E63 I68 N69 F163 W182 N186 V187 F192	C61-L65 WeakPolarHBondContact O-CB 3.32Å; C61-L65 PolarHBondContact O-N 3.42Å; A62-L65 PolarHBondContact O-N 3.47Å; E63-L65 PolarHBondContact O-N 3.23Å; L65-I68 PolarHBondContact O-N 3.23Å; L65-N69 WeakPolarHBondContact CD1-ND2 3.25Å; L65-N69 WeakPolarHBondContact CG-ND2 3.38Å; L65-N69 WeakPolarHBondContact O-CB 3.38Å; L65-N69 PolarHBondContact O-N 2.83Å; L65-N69 PolarHBondContact O-ND2 2.9Å; L65-F163 HydrophobicContact CB-CE1 4.33Å; L65-F163 HydrophobicContact CB-CE2 4.35Å; L65-F163 HydrophobicContact CB-CZ 3.74Å; L65-F163 HydrophobicContact CD1-CE2 3.91Å; L65-F163 HydrophobicContact CD1-CZ 4.15Å; L65-W182 HydrophobicContact CB-CH2 4.41Å; L65-W182 HydrophobicContact CD2-CH2 3.89Å; L65-N186 HydrophobicContact CD2-CB 3.95Å; L65-V187 HydrophobicContact CD2-CG2 4.46Å; L65-F192 HydrophobicContact CD1-CD1 3.97Å; L65-F192 HydrophobicContact CD1-CE1 3.47Å; L65-F192 VanDerWaalsContact CD1-CE1 3.47Å
66	K	95.7	Very high	94	Very high	157 Å²	157	57 Å²	57	68%	0.683	28%	0.276	S	S	*	.	H	α-helix	trans	-63.1	-44.8	175.6	-177.5	179.6	179.3	179.9	0	111.4	A62 E63 E64 N69 L70	A62-K66 WeakPolarHBondContact O-CB 3.34Å; A62-K66 PolarHBondContact O-N 3.07Å; E63-K66 PolarHBondContact O-N 3.42Å; E64-K66 PolarHBondContact O-N 3.48Å; K66-N69 PolarHBondContact O-N 2.85Å; K66-L70 WeakPolarHBondContact O-CB 3.12Å; K66-L70 PolarHBondContact O-N 3.04Å
67	K	95	Very high	94	Very high	51 Å²	51	56 Å²	56	22%	0.222	28%	0.28	C	S	.	.	H	α-helix	trans	-56.8	-49.9	174.7	178.4	-175	71.3	-176.9	0	111	K17 Q18 Y19 E63 E64 L70 F71	K17-K67 WeakPolarHBondContact O-CD 3.47Å; K17-K67 WeakPolarHBondContact O-CE 3.31Å; K17-K67 PolarHBondContact O-NZ 3Å; K17-K67 VanDerWaalsContact O-NZ 3.13Å; Q18-K67 WeakPolarHBondContact O-CE 3.44Å; Y19-K67 WeakPolarHBondContact O-CE 3.17Å; Y19-K67 PolarHBondContact O-NZ 3.27Å; E63-K67 PolarHBondContact O-N 3.14Å; E64-K67 WeakPolarHBondContact O-CB 3.48Å; E64-K67 PolarHBondContact O-N 2.95Å; E64-K67 WeakPolarHBondContact OE1-CE 3.48Å; E64-K67 IonicContact OE1-NZ 3.46Å; E64-K67 PolarHBondContact OE1-NZ 2.76Å; E64-K67 WeakPolarHBondContact OE2-CE 3.1Å; E64-K67 IonicContact OE2-NZ 3.71Å; E64-K67 PolarHBondContact OE2-NZ 2.95Å; K67-L70 PolarHBondContact O-N 3.09Å; K67-F71 WeakPolarHBondContact O-CB 3.46Å; K67-F71 PolarHBondContact O-N 3.32Å
68	I	94.5	Very high	93.7	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-63.4	-46.2	-178	-72	159.8	0	0	0	111.6	Q18 I20 E64 L65 F71 Y72 Y155 N159 F163 F192	Q18-I68 VanDerWaalsContact O-CG1 3.23Å; Q18-I68 WeakPolarHBondContact O-CG1 3.5Å; I20-I68 HydrophobicContact CB-CD1 3.89Å; E64-I68 WeakPolarHBondContact O-CD1 3.38Å; E64-I68 VanDerWaalsContact O-CG1 3.3Å; E64-I68 WeakPolarHBondContact O-CG1 3.27Å; E64-I68 PolarHBondContact O-N 3.27Å; L65-I68 PolarHBondContact O-N 3.23Å; I68-F71 PolarHBondContact O-N 3.37Å; I68-Y72 VanDerWaalsContact O-CB 3.3Å; I68-Y72 WeakPolarHBondContact O-CB 3.21Å; I68-Y72 PolarHBondContact O-N 3.37Å; I68-Y155 WeakPolarHBondContact CA-OH 3.48Å; I68-Y155 HydrophobicContact CG2-CE1 3.97Å; I68-N159 HydrophobicContact CD1-CB 4.15Å; I68-N159 WeakPolarHBondContact CD1-OD1 3.43Å; I68-N159 HydrophobicContact CG2-CB 4.08Å; I68-F163 HydrophobicContact CD1-CD2 4.47Å; I68-F163 HydrophobicContact CD1-CE2 3.43Å; I68-F163 VanDerWaalsContact CD1-CE2 3.43Å; I68-F163 HydrophobicContact CD1-CZ 3.85Å; I68-F192 HydrophobicContact CG2-CD1 4.1Å; I68-F192 HydrophobicContact CG2-CD2 4.01Å; I68-F192 HydrophobicContact CG2-CE1 4.38Å; I68-F192 HydrophobicContact CG2-CE2 4.29Å; I68-F192 HydrophobicContact CG2-CG 3.93Å; I68-F192 HydrophobicContact CG2-CZ 4.47Å
69	N	95	Very high	93.4	Very high	27 Å²	27	58.1 Å²	58.1	14%	0.144	29%	0.291	C	S	.	.	H	α-helix	trans	-61.9	-44.8	177.7	-82.5	-59.4	0	0	0	112.5	L65 K66 F71 Y72 K73 P191 F192	L65-N69 WeakPolarHBondContact CD1-ND2 3.25Å; L65-N69 WeakPolarHBondContact CG-ND2 3.38Å; L65-N69 WeakPolarHBondContact O-CB 3.38Å; L65-N69 PolarHBondContact O-N 2.83Å; L65-N69 PolarHBondContact O-ND2 2.9Å; K66-N69 PolarHBondContact O-N 2.85Å; N69-F71 VanDerWaalsContact C-N 3.34Å; N69-F71 PolarHBondContact O-N 3.22Å; N69-Y72 PolarHBondContact O-N 3.03Å; N69-K73 VanDerWaalsContact O-CB 3.29Å; N69-K73 WeakPolarHBondContact O-CB 3.41Å; N69-K73 PolarHBondContact O-N 3.35Å; N69-P191 WeakPolarHBondContact OD1-CD 3.25Å; N69-F192 WeakPolarHBondContact OD1-CB 3.42Å; N69-F192 WeakPolarHBondContact OD1-CD1 3.46Å; N69-F192 PolarHBondContact OD1-N 2.98Å
70	L	93.9	Very high	93.3	Very high	127 Å²	127	58.8 Å²	58.8	67%	0.665	29%	0.285	S	S	*	.	H	α-helix	trans	-62.6	-44.3	179.3	-178.7	63.4	0	0	0	111.2	K66 K67 R74	K66-L70 WeakPolarHBondContact O-CB 3.12Å; K66-L70 PolarHBondContact O-N 3.04Å; K67-L70 PolarHBondContact O-N 3.09Å; L70-R74 WeakPolarHBondContact O-CB 3.49Å; L70-R74 PolarHBondContact O-N 3.26Å; L70-R74 VanDerWaalsContact O-N 3.14Å
71	F	91.6	Very high	93.1	Very high	24 Å²	24	62.2 Å²	62.2	11%	0.105	30%	0.299	C	S	.	.	H	α-helix	trans	-65.3	-48	178.1	-179.2	-98	0	0	0	112.1	W15 Q18 K67 I68 N69 K73 R74 K75 Y155	W15-F71 HydrophobicContact CB-CE1 4.04Å; W15-F71 HydrophobicContact CB-CZ 3.88Å; W15-F71 AromaticContact CD1-CZ 3.38Å; W15-F71 AromaticContact CD2-CE1 3.73Å; W15-F71 HydrophobicContact CD2-CE1 3.73Å; W15-F71 AromaticContact CD2-CZ 3.6Å; W15-F71 HydrophobicContact CD2-CZ 3.6Å; W15-F71 AromaticContact CE2-CZ 3.83Å; W15-F71 AromaticContact CE3-CE1 3.98Å; W15-F71 HydrophobicContact CE3-CE1 3.98Å; W15-F71 HydrophobicContact CE3-CZ 4.31Å; W15-F71 AromaticContact CG-CE1 3.75Å; W15-F71 HydrophobicContact CG-CE1 3.75Å; W15-F71 HydrophobicContact CG-CE2 4.36Å; W15-F71 AromaticContact CG-CZ 3.34Å; W15-F71 HydrophobicContact CG-CZ 3.34Å; W15-F71 AromaticContact NE1-CZ 3.72Å; Q18-F71 HydrophobicContact CB-CB 4.19Å; Q18-F71 HydrophobicContact CB-CD1 3.87Å; Q18-F71 HydrophobicContact CB-CD2 3.92Å; Q18-F71 HydrophobicContact CB-CE1 4.23Å; Q18-F71 HydrophobicContact CB-CE2 4.29Å; Q18-F71 HydrophobicContact CB-CG 3.69Å; Q18-F71 HydrophobicContact CB-CZ 4.44Å; Q18-F71 HydrophobicContact CG-CB 4.45Å; Q18-F71 HydrophobicContact CG-CD1 4.3Å; Q18-F71 HydrophobicContact CG-CD2 3.45Å; Q18-F71 VanDerWaalsContact CG-CD2 3.45Å; Q18-F71 HydrophobicContact CG-CE1 4.47Å; Q18-F71 HydrophobicContact CG-CE2 3.68Å; Q18-F71 HydrophobicContact CG-CG 3.79Å; Q18-F71 HydrophobicContact CG-CZ 4.19Å; K67-F71 WeakPolarHBondContact O-CB 3.46Å; K67-F71 PolarHBondContact O-N 3.32Å; I68-F71 PolarHBondContact O-N 3.37Å; N69-F71 VanDerWaalsContact C-N 3.34Å; N69-F71 PolarHBondContact O-N 3.22Å; F71-K73 PolarHBondContact O-N 2.95Å; F71-R74 PolarHBondContact O-N 3.26Å; F71-K75 HydrophobicContact CD1-CG 4.29Å; F71-K75 HydrophobicContact CD2-CG 4.47Å; F71-K75 HydrophobicContact CE1-CG 3.74Å; F71-K75 HydrophobicContact CE2-CD 4.48Å; F71-K75 HydrophobicContact CE2-CG 3.92Å; F71-K75 HydrophobicContact CZ-CD 4.08Å; F71-K75 HydrophobicContact CZ-CG 3.51Å; F71-K75 PolarHBondContact O-N 3.39Å; F71-Y155 HydrophobicContact CD1-CD1 4.47Å; F71-Y155 HydrophobicContact CD1-CD2 4.39Å; F71-Y155 AromaticContact CD1-CE1 3.81Å; F71-Y155 HydrophobicContact CD1-CE1 3.81Å; F71-Y155 AromaticContact CD1-CE2 3.73Å; F71-Y155 HydrophobicContact CD1-CE2 3.73Å; F71-Y155 AromaticContact CD1-CZ 3.39Å; F71-Y155 WeakPolarHBondContact CD1-OH 3.37Å; F71-Y155 HydrophobicContact CE1-CD2 4.17Å; F71-Y155 HydrophobicContact CE1-CE1 4.39Å; F71-Y155 AromaticContact CE1-CE2 3.89Å; F71-Y155 HydrophobicContact CE1-CE2 3.89Å; F71-Y155 AromaticContact CE1-CZ 4Å
72	Y	93.6	Very high	92.8	Very high	3 Å²	3	66.7 Å²	66.7	1%	0.012	32%	0.316	C	S	.	.	H	α-helix	trans	-58.9	-49.4	178.9	-179.5	-97.1	0	0	0	111.4	I68 N69 R74 K75 L76 L152 Y155 Q156 F192 D195 I198	I68-Y72 VanDerWaalsContact O-CB 3.3Å; I68-Y72 WeakPolarHBondContact O-CB 3.21Å; I68-Y72 PolarHBondContact O-N 3.37Å; N69-Y72 PolarHBondContact O-N 3.03Å; Y72-R74 VanDerWaalsContact C-N 3.32Å; Y72-R74 PolarHBondContact O-N 2.96Å; Y72-K75 PolarHBondContact O-N 2.93Å; Y72-L76 HydrophobicContact CE1-CD2 4.11Å; Y72-L76 WeakPolarHBondContact O-CB 3.21Å; Y72-L76 PolarHBondContact O-N 3.35Å; Y72-L152 HydrophobicContact CD2-CD1 3.8Å; Y72-L152 HydrophobicContact CD2-CG 4.16Å; Y72-L152 HydrophobicContact CE2-CD1 4.19Å; Y72-L152 HydrophobicContact CE2-CD2 4.43Å; Y72-L152 HydrophobicContact CE2-CG 4.03Å; Y72-Y155 HydrophobicContact CD2-CD1 4.31Å; Y72-Q156 HydrophobicContact CE2-CB 4.02Å; Y72-Q156 HydrophobicContact CE2-CG 4.11Å; Y72-F192 HydrophobicContact CD1-CB 3.76Å; Y72-F192 HydrophobicContact CD2-CB 4.44Å; Y72-F192 HydrophobicContact CE1-CB 4.4Å; Y72-F192 HydrophobicContact CG-CB 3.78Å; Y72-D195 HydrophobicContact CE1-CB 3.86Å; Y72-I198 HydrophobicContact CE2-CD1 4.47Å
73	K	93.4	Very high	92.6	Very high	154 Å²	154	66.2 Å²	66.2	67%	0.67	31%	0.306	S	S	*	.	H	α-helix	trans	-59.1	-42.5	179.4	-173.5	176.9	-177.1	177.8	0	112.2	N69 F71 A77	N69-K73 VanDerWaalsContact O-CB 3.29Å; N69-K73 WeakPolarHBondContact O-CB 3.41Å; N69-K73 PolarHBondContact O-N 3.35Å; F71-K73 PolarHBondContact O-N 2.95Å; K73-A77 PolarHBondContact O-N 3.02Å; K73-A77 VanDerWaalsContact O-N 3.09Å
74	R	92.5	Very high	92.5	Very high	165 Å²	165	63.1 Å²	63.1	62%	0.623	30%	0.296	S	S	*	.	H	α-helix	trans	-62.8	-47.9	176.3	177.9	-179.9	170.2	167.3	4.1	111.4	L70 F71 Y72 L76 A77 E78	L70-R74 WeakPolarHBondContact O-CB 3.49Å; L70-R74 PolarHBondContact O-N 3.26Å; L70-R74 VanDerWaalsContact O-N 3.14Å; F71-R74 PolarHBondContact O-N 3.26Å; Y72-R74 VanDerWaalsContact C-N 3.32Å; Y72-R74 PolarHBondContact O-N 2.96Å; R74-L76 VanDerWaalsContact C-N 3.33Å; R74-L76 PolarHBondContact O-N 3.36Å; R74-A77 PolarHBondContact O-N 3.38Å; R74-E78 WeakPolarHBondContact CG-OE1 3.38Å; R74-E78 IonicContact CZ-OE1 3.81Å; R74-E78 IonicContact NE-OE1 3.41Å; R74-E78 PolarHBondContact NE-OE1 3.15Å; R74-E78 IonicContact NH2-OE1 3.73Å; R74-E78 WeakPolarHBondContact O-CG 3.43Å; R74-E78 PolarHBondContact O-N 2.99Å
75	K	88.8	Confident	92.3	Very high	54 Å²	54	66.2 Å²	66.2	24%	0.235	31%	0.31	C	S	.	.	H	α-helix	trans	-66.4	-36	-178.8	-76.9	-71.9	164.9	-156.2	0	112.9	W15 F71 Y72 E78 A79 L152	W15-K75 HydrophobicContact CZ2-CD 4.28Å; F71-K75 HydrophobicContact CD1-CG 4.29Å; F71-K75 HydrophobicContact CD2-CG 4.47Å; F71-K75 HydrophobicContact CE1-CG 3.74Å; F71-K75 HydrophobicContact CE2-CD 4.48Å; F71-K75 HydrophobicContact CE2-CG 3.92Å; F71-K75 HydrophobicContact CZ-CD 4.08Å; F71-K75 HydrophobicContact CZ-CG 3.51Å; F71-K75 PolarHBondContact O-N 3.39Å; Y72-K75 PolarHBondContact O-N 2.93Å; K75-E78 IonicContact NZ-OE2 3.22Å; K75-E78 PolarHBondContact NZ-OE2 3.19Å; K75-A79 WeakPolarHBondContact O-CB 3.41Å; K75-A79 PolarHBondContact O-N 3.38Å; K75-L152 HydrophobicContact CB-CD1 3.65Å; K75-L152 HydrophobicContact CB-CD2 3.88Å; K75-L152 HydrophobicContact CB-CG 4.41Å; K75-L152 HydrophobicContact CG-CD1 4.34Å
76	L	92.1	Very high	92	Very high	10 Å²	10	65.8 Å²	65.8	5%	0.052	31%	0.308	C	S	.	.	H	α-helix	trans	-64.9	-44	174.5	-173.8	66.8	0	0	0	111.5	Y72 R74 A79 Q80 L152 D195 E197 I198 L201	Y72-L76 HydrophobicContact CE1-CD2 4.11Å; Y72-L76 WeakPolarHBondContact O-CB 3.21Å; Y72-L76 PolarHBondContact O-N 3.35Å; R74-L76 VanDerWaalsContact C-N 3.33Å; R74-L76 PolarHBondContact O-N 3.36Å; L76-A79 WeakPolarHBondContact O-CB 3.41Å; L76-A79 PolarHBondContact O-N 2.87Å; L76-A79 VanDerWaalsContact O-N 3.15Å; L76-Q80 WeakPolarHBondContact O-CG 3.3Å; L76-Q80 PolarHBondContact O-N 3.48Å; L76-L152 HydrophobicContact CB-CD2 4.47Å; L76-D195 WeakPolarHBondContact CD2-OD2 3.5Å; L76-E197 HydrophobicContact CD1-CB 4.26Å; L76-E197 HydrophobicContact CD1-CG 4.2Å; L76-E197 HydrophobicContact CD2-CB 4.16Å; L76-E197 HydrophobicContact CD2-CG 4.43Å; L76-I198 HydrophobicContact CD1-CB 4.32Å; L76-L201 HydrophobicContact CD1-CD1 3.95Å
77	A	91.2	Very high	91.7	Very high	50 Å²	50	59.2 Å²	59.2	41%	0.413	28%	0.283	S	S	.	.	H	α-helix	trans	-62.8	-44.8	175.8	0	0	0	0	0	112.3	K73 R74 A79 Q80 E81	K73-A77 PolarHBondContact O-N 3.02Å; K73-A77 VanDerWaalsContact O-N 3.09Å; R74-A77 PolarHBondContact O-N 3.38Å; A77-A79 PolarHBondContact O-N 2.87Å; A77-Q80 PolarHBondContact O-N 3.37Å; A77-E81 PolarHBondContact O-N 2.95Å
78	E	88.5	Confident	91.5	Very high	67 Å²	67	63.2 Å²	63.2	31%	0.313	30%	0.297	S	S	.	.	H	α-helix	trans	-57.2	-38.4	172.8	-72.7	173	-166.9	0	0	111.2	R74 K75 R82	R74-E78 WeakPolarHBondContact CG-OE1 3.38Å; R74-E78 IonicContact CZ-OE1 3.81Å; R74-E78 IonicContact NE-OE1 3.41Å; R74-E78 PolarHBondContact NE-OE1 3.15Å; R74-E78 IonicContact NH2-OE1 3.73Å; R74-E78 WeakPolarHBondContact O-CG 3.43Å; R74-E78 PolarHBondContact O-N 2.99Å; K75-E78 IonicContact NZ-OE2 3.22Å; K75-E78 PolarHBondContact NZ-OE2 3.19Å; E78-R82 WeakPolarHBondContact O-CB 3.43Å; E78-R82 PolarHBondContact O-N 2.95Å
79	A	90	Very high	91.2	Very high	8 Å²	8	65.1 Å²	65.1	7%	0.066	31%	0.306	C	S	.	.	H	α-helix	trans	-70.6	-40.7	178.6	0	0	0	0	0	112.9	K75 L76 A77 R82 F83 F145 L149 L201	K75-A79 WeakPolarHBondContact O-CB 3.41Å; K75-A79 PolarHBondContact O-N 3.38Å; L76-A79 WeakPolarHBondContact O-CB 3.41Å; L76-A79 PolarHBondContact O-N 2.87Å; L76-A79 VanDerWaalsContact O-N 3.15Å; A77-A79 PolarHBondContact O-N 2.87Å; A79-R82 PolarHBondContact O-N 2.97Å; A79-F83 WeakPolarHBondContact O-CB 3.33Å; A79-F83 PolarHBondContact O-N 2.87Å; A79-F145 HydrophobicContact CB-CE2 4.03Å; A79-F145 HydrophobicContact CB-CZ 4.32Å; A79-F145 WeakPolarHBondContact O-CE2 2.83Å; A79-F145 VanDerWaalsContact O-CZ 3.25Å; A79-F145 WeakPolarHBondContact O-CZ 3.35Å; A79-L149 HydrophobicContact CB-CD2 3.83Å; A79-L201 HydrophobicContact CB-CD1 4.13Å
80	Q	93.4	Very high	90.8	Very high	74 Å²	74	64 Å²	64	35%	0.346	30%	0.3	S	S	.	.	H	α-helix	trans	-62.1	-43.7	175.5	-72.8	177.8	-43.2	0	0	111.8	L76 A77 F83 T84 E197 L201	L76-Q80 WeakPolarHBondContact O-CG 3.3Å; L76-Q80 PolarHBondContact O-N 3.48Å; A77-Q80 PolarHBondContact O-N 3.37Å; Q80-F83 PolarHBondContact O-N 2.81Å; Q80-T84 PolarHBondContact O-N 3.38Å; Q80-T84 VanDerWaalsContact O-N 3.07Å; Q80-T84 PolarHBondContact O-OG1 3Å; Q80-E197 PolarHBondContact NE2-OE1 3.07Å; Q80-L201 HydrophobicContact CG-CD1 3.91Å; Q80-L201 HydrophobicContact CG-CD2 4.46Å
81	E	90.1	Very high	90.5	Very high	125 Å²	125	62.6 Å²	62.6	58%	0.584	29%	0.29	S	S	*	.	H	α-helix	trans	-62.1	-48.5	176.5	-174.3	174.8	-164.9	0	0	111	A77 F83 T84 E85	A77-E81 PolarHBondContact O-N 2.95Å; E81-F83 PolarHBondContact O-N 2.93Å; E81-T84 WeakPolarHBondContact O-CB 3.3Å; E81-T84 PolarHBondContact O-N 3.34Å; E81-T84 VanDerWaalsContact O-N 3.14Å; E81-E85 PolarHBondContact O-N 3.31Å
82	R	88	Confident	90.1	Very high	95 Å²	95	70 Å²	70	36%	0.358	32%	0.317	S	S	.	.	H	α-helix	trans	-63.6	-39.2	179.5	-173.1	165.6	176.2	158.8	-0.6	112.8	E78 A79 T84 E85 L86 E144 F145	E78-R82 WeakPolarHBondContact O-CB 3.43Å; E78-R82 PolarHBondContact O-N 2.95Å; A79-R82 PolarHBondContact O-N 2.97Å; R82-T84 VanDerWaalsContact C-N 3.33Å; R82-E85 PolarHBondContact O-N 3.47Å; R82-L86 HydrophobicContact CG-CD1 4.21Å; R82-L86 WeakPolarHBondContact O-CB 3.39Å; R82-L86 VanDerWaalsContact O-CG 3.32Å; R82-L86 WeakPolarHBondContact O-CG 3.46Å; R82-L86 PolarHBondContact O-N 3.29Å; R82-E144 IonicContact NH2-OE2 2.77Å; R82-E144 PolarHBondContact NH2-OE2 3.28Å; R82-F145 HydrophobicContact CB-CD2 4.13Å; R82-F145 HydrophobicContact CB-CE2 3.96Å; R82-F145 HydrophobicContact CG-CD2 3.75Å; R82-F145 HydrophobicContact CG-CE2 4.1Å
83	F	92.4	Very high	89.5	Confident	33 Å²	33	72 Å²	72	15%	0.145	33%	0.328	C	S	.	.	H	α-helix	trans	-60.9	-45	173.1	179.9	-104.2	0	0	0	111.3	A79 Q80 E81 E85 L86 A87 F145 L201 L204	A79-F83 WeakPolarHBondContact O-CB 3.33Å; A79-F83 PolarHBondContact O-N 2.87Å; Q80-F83 PolarHBondContact O-N 2.81Å; E81-F83 PolarHBondContact O-N 2.93Å; F83-E85 VanDerWaalsContact C-N 3.33Å; F83-E85 PolarHBondContact O-N 2.95Å; F83-L86 PolarHBondContact O-N 2.99Å; F83-A87 VanDerWaalsContact O-CB 3.27Å; F83-A87 WeakPolarHBondContact O-CB 3.22Å; F83-A87 PolarHBondContact O-N 3.11Å; F83-F145 HydrophobicContact CB-CE1 3.78Å; F83-F145 HydrophobicContact CB-CZ 3.64Å; F83-F145 HydrophobicContact CD2-CD1 4.5Å; F83-F145 AromaticContact CD2-CE1 3.74Å; F83-F145 HydrophobicContact CD2-CE1 3.74Å; F83-F145 HydrophobicContact CD2-CZ 4.45Å; F83-F145 HydrophobicContact CG-CE1 4.22Å; F83-L201 HydrophobicContact CB-CD2 4.04Å; F83-L201 HydrophobicContact CD1-CD2 4.22Å; F83-L201 HydrophobicContact CG-CD2 4.08Å; F83-L204 HydrophobicContact CE1-CB 4.24Å; F83-L204 HydrophobicContact CE1-CD1 4.16Å; F83-L204 HydrophobicContact CE2-CB 4Å; F83-L204 HydrophobicContact CZ-CB 3.62Å; F83-L204 HydrophobicContact CZ-CD1 4.36Å
84	T	91.8	Very high	88.9	Confident	63 Å²	63	68.6 Å²	68.6	39%	0.387	31%	0.314	S	S	.	.	H	α-helix	trans	-64.1	-38.9	-179.3	-51.7	0	0	0	0	111.6	Q80 E81 R82 R88	Q80-T84 PolarHBondContact O-N 3.38Å; Q80-T84 VanDerWaalsContact O-N 3.07Å; Q80-T84 PolarHBondContact O-OG1 3Å; E81-T84 WeakPolarHBondContact O-CB 3.3Å; E81-T84 PolarHBondContact O-N 3.34Å; E81-T84 VanDerWaalsContact O-N 3.14Å; R82-T84 VanDerWaalsContact C-N 3.33Å; T84-R88 VanDerWaalsContact CG2-NH2 3.35Å; T84-R88 WeakPolarHBondContact O-CG 3.21Å; T84-R88 PolarHBondContact O-N 3Å; T84-R88 VanDerWaalsContact O-N 3.12Å
85	E	90.1	Very high	88.3	Confident	89 Å²	89	64 Å²	64	42%	0.416	31%	0.307	S	S	.	.	H	α-helix	trans	-62.6	-52.5	173.5	-171.8	-173	168	0	0	111.4	E81 R82 F83 A87 R88 E89 R133	E81-E85 PolarHBondContact O-N 3.31Å; R82-E85 PolarHBondContact O-N 3.47Å; F83-E85 VanDerWaalsContact C-N 3.33Å; F83-E85 PolarHBondContact O-N 2.95Å; E85-A87 VanDerWaalsContact C-N 3.33Å; E85-A87 PolarHBondContact O-N 3.02Å; E85-R88 PolarHBondContact O-N 3.38Å; E85-E89 WeakPolarHBondContact O-CG 3.32Å; E85-E89 PolarHBondContact O-N 3.24Å; E85-R133 IonicContact OE1-NH2 3.85Å
86	L	90	Very high	87.6	Confident	5 Å²	5	64.7 Å²	64.7	3%	0.026	32%	0.319	C	S	.	.	H	α-helix	trans	-61.5	-39.5	-179.8	-72	173.7	0	0	0	112.5	R82 F83 E89 L90 L138 A141 F142 F145	R82-L86 HydrophobicContact CG-CD1 4.21Å; R82-L86 WeakPolarHBondContact O-CB 3.39Å; R82-L86 VanDerWaalsContact O-CG 3.32Å; R82-L86 WeakPolarHBondContact O-CG 3.46Å; R82-L86 PolarHBondContact O-N 3.29Å; F83-L86 PolarHBondContact O-N 2.99Å; L86-E89 PolarHBondContact O-N 3.48Å; L86-L90 VanDerWaalsContact O-CB 3.29Å; L86-L90 WeakPolarHBondContact O-CB 3.31Å; L86-L90 PolarHBondContact O-N 3.31Å; L86-L138 HydrophobicContact CD2-CD1 4.12Å; L86-A141 HydrophobicContact CD2-CB 3.75Å; L86-F142 HydrophobicContact CB-CE1 4.37Å; L86-F142 HydrophobicContact CB-CE2 4Å; L86-F142 HydrophobicContact CB-CZ 3.84Å; L86-F145 HydrophobicContact CD1-CB 3.66Å; L86-F145 HydrophobicContact CD1-CD1 4.1Å; L86-F145 HydrophobicContact CD1-CD2 4.46Å; L86-F145 HydrophobicContact CD1-CG 3.8Å
87	A	91	Very high	86.5	Confident	20 Å²	20	70.9 Å²	70.9	17%	0.165	34%	0.341	C	S	.	.	H	α-helix	trans	-62.9	-43.7	175.9	0	0	0	0	0	111.6	F83 E85 L90 E91	F83-A87 VanDerWaalsContact O-CB 3.27Å; F83-A87 WeakPolarHBondContact O-CB 3.22Å; F83-A87 PolarHBondContact O-N 3.11Å; E85-A87 VanDerWaalsContact C-N 3.33Å; E85-A87 PolarHBondContact O-N 3.02Å; A87-L90 PolarHBondContact O-N 3.41Å; A87-E91 WeakPolarHBondContact O-CG 3.43Å; A87-E91 PolarHBondContact O-N 2.76Å
88	R	89.4	Confident	85.2	Confident	134 Å²	134	70.1 Å²	70.1	51%	0.506	34%	0.339	S	S	.	.	H	α-helix	trans	-63.6	-42.8	175.7	-78.5	-174.4	-112.2	147.1	-4.8	112.2	T84 E85 E91 R92	T84-R88 VanDerWaalsContact CG2-NH2 3.35Å; T84-R88 WeakPolarHBondContact O-CG 3.21Å; T84-R88 PolarHBondContact O-N 3Å; T84-R88 VanDerWaalsContact O-N 3.12Å; E85-R88 PolarHBondContact O-N 3.38Å; R88-E91 PolarHBondContact O-N 3.47Å; R88-R92 WeakPolarHBondContact O-CG 3.34Å; R88-R92 PolarHBondContact O-N 3.06Å
89	E	87.8	Confident	84.1	Confident	40 Å²	40	75.9 Å²	75.9	19%	0.187	36%	0.358	C	S	.	.	H	α-helix	trans	-64.2	-41.3	177.6	-71.9	-166.1	153.4	0	0	112.4	E85 L86 E91 R92 L93 R133 L138	E85-E89 WeakPolarHBondContact O-CG 3.32Å; E85-E89 PolarHBondContact O-N 3.24Å; L86-E89 PolarHBondContact O-N 3.48Å; E89-E91 VanDerWaalsContact C-N 3.34Å; E89-E91 PolarHBondContact O-N 2.69Å; E89-R92 PolarHBondContact O-N 2.98Å; E89-L93 PolarHBondContact O-N 3.29Å; E89-R133 IonicContact OE1-CZ 3.38Å; E89-R133 IonicContact OE1-NE 2.79Å; E89-R133 PolarHBondContact OE1-NE 3.21Å; E89-R133 IonicContact OE1-NH2 3.9Å; E89-R133 PolarHBondContact OE1-NH2 3.37Å; E89-R133 IonicContact OE2-CZ 3.39Å; E89-R133 IonicContact OE2-NE 2.74Å; E89-R133 PolarHBondContact OE2-NE 2.93Å; E89-R133 IonicContact OE2-NH2 3.12Å; E89-R133 PolarHBondContact OE2-NH2 3.2Å; E89-R133 VanDerWaalsContact OE2-NH2 3.1Å; E89-L138 HydrophobicContact CB-CD1 4.14Å
90	L	87.1	Confident	82.7	Confident	4 Å²	4	79 Å²	79	2%	0.021	38%	0.376	C	S	.	.	H	α-helix	trans	-60.1	-44.4	175.8	-177.5	57.6	0	0	0	111.6	L86 A87 L93 Q94 L138 F142 A208 K212 L213	L86-L90 VanDerWaalsContact O-CB 3.29Å; L86-L90 WeakPolarHBondContact O-CB 3.31Å; L86-L90 PolarHBondContact O-N 3.31Å; A87-L90 PolarHBondContact O-N 3.41Å; L90-L93 PolarHBondContact O-N 3.44Å; L90-Q94 WeakPolarHBondContact O-CG 3.38Å; L90-Q94 PolarHBondContact O-N 3.35Å; L90-L138 HydrophobicContact CB-CD2 3.82Å; L90-L138 HydrophobicContact CD1-CD2 3.44Å; L90-L138 VanDerWaalsContact CD1-CD2 3.44Å; L90-L138 HydrophobicContact CG-CD2 4.19Å; L90-F142 HydrophobicContact CB-CE2 4.34Å; L90-F142 HydrophobicContact CD2-CE2 3.92Å; L90-F142 HydrophobicContact CD2-CZ 3.76Å; L90-A208 HydrophobicContact CD2-CB 4.43Å; L90-K212 HydrophobicContact CD1-CB 4.12Å; L90-K212 HydrophobicContact CD2-CB 3.77Å; L90-K212 HydrophobicContact CD2-CD 3.42Å; L90-K212 VanDerWaalsContact CD2-CD 3.42Å; L90-K212 HydrophobicContact CD2-CG 4.2Å; L90-K212 HydrophobicContact CG-CB 4.14Å; L90-K212 HydrophobicContact CG-CD 3.85Å; L90-L213 HydrophobicContact CD1-CD2 3.63Å; L90-L213 HydrophobicContact CD1-CG 3.99Å
91	E	87.1	Confident	80.9	Confident	98 Å²	98	80.7 Å²	80.7	46%	0.458	38%	0.384	S	S	.	.	H	α-helix	trans	-65.4	-39	177	-74.6	172.1	-175	0	0	112.8	A87 R88 E89 Q94 S95 K212	A87-E91 WeakPolarHBondContact O-CG 3.43Å; A87-E91 PolarHBondContact O-N 2.76Å; R88-E91 PolarHBondContact O-N 3.47Å; E89-E91 VanDerWaalsContact C-N 3.34Å; E89-E91 PolarHBondContact O-N 2.69Å; E91-Q94 PolarHBondContact O-N 3.5Å; E91-S95 WeakPolarHBondContact O-CB 3.46Å; E91-S95 PolarHBondContact O-N 3.4Å; E91-S95 PolarHBondContact O-OG 2.77Å; E91-K212 IonicContact OE1-NZ 3.88Å; E91-K212 PolarHBondContact OE1-NZ 3.2Å
92	R	84.5	Confident	79.4	Confident	178 Å²	178	80.7 Å²	80.7	67%	0.672	39%	0.387	S	S	*	.	H	α-helix	trans	-61.9	-45.5	174.5	-74.3	175.7	-176.9	-178.8	-0.2	111.6	R88 E89 S95 S96	R88-R92 WeakPolarHBondContact O-CG 3.34Å; R88-R92 PolarHBondContact O-N 3.06Å; E89-R92 PolarHBondContact O-N 2.98Å; R92-S95 PolarHBondContact O-N 2.89Å; R92-S96 WeakPolarHBondContact O-CB 3.45Å; R92-S96 PolarHBondContact O-N 3.42Å
93	L	81.3	Confident	77.9	Confident	47 Å²	47	83.9 Å²	83.9	25%	0.246	40%	0.404	C	S	.	.	H	α-helix	trans	-66.2	-40.2	178.9	-80.1	168.8	0	0	0	112.4	E89 L90 S96 R97 P132 L138	E89-L93 PolarHBondContact O-N 3.29Å; L90-L93 PolarHBondContact O-N 3.44Å; L93-S96 PolarHBondContact O-N 2.62Å; L93-R97 WeakPolarHBondContact O-CB 3.4Å; L93-R97 PolarHBondContact O-N 2.96Å; L93-P132 HydrophobicContact CD2-CB 4.26Å; L93-L138 HydrophobicContact CD1-CB 4.4Å; L93-L138 HydrophobicContact CD1-CD2 3.86Å
94	Q	80	Confident	76.1	Confident	82 Å²	82	90.1 Å²	90.1	38%	0.383	43%	0.431	S	S	.	.	H	α-helix	trans	-63.1	-45.7	174.4	-74.5	-177.1	-40.6	0	0	111.8	L90 E91 S96 R97 G98 K212	L90-Q94 WeakPolarHBondContact O-CG 3.38Å; L90-Q94 PolarHBondContact O-N 3.35Å; E91-Q94 PolarHBondContact O-N 3.5Å; Q94-S96 VanDerWaalsContact C-N 3.32Å; Q94-S96 PolarHBondContact O-N 3.04Å; Q94-R97 PolarHBondContact O-N 2.9Å; Q94-G98 PolarHBondContact O-N 2.94Å; Q94-K212 VanDerWaalsContact NE2-CB 3.34Å
95	S	79.1	Confident	74.2	Confident	68 Å²	68	92.7 Å²	92.7	48%	0.476	45%	0.446	S	S	.	.	H	α-helix	trans	-61.2	-41.1	176.9	-60.5	0	0	0	0	112	E91 R92 G98 R99	E91-S95 WeakPolarHBondContact O-CB 3.46Å; E91-S95 PolarHBondContact O-N 3.4Å; E91-S95 PolarHBondContact O-OG 2.77Å; R92-S95 PolarHBondContact O-N 2.89Å; S95-G98 PolarHBondContact O-N 2.68Å; S95-R99 WeakPolarHBondContact O-CG 3.4Å; S95-R99 PolarHBondContact O-N 2.88Å; S95-R99 VanDerWaalsContact O-N 3.08Å
96	S	75	Confident	72.4	Confident	68 Å²	68	91.8 Å²	91.8	48%	0.476	45%	0.454	S	S	.	.	H	α-helix	trans	-64.1	-40.7	175.6	-171.3	0	0	0	0	111.8	R92 L93 Q94 R99 V100	R92-S96 WeakPolarHBondContact O-CB 3.45Å; R92-S96 PolarHBondContact O-N 3.42Å; L93-S96 PolarHBondContact O-N 2.62Å; Q94-S96 VanDerWaalsContact C-N 3.32Å; Q94-S96 PolarHBondContact O-N 3.04Å; S96-R99 PolarHBondContact O-N 3.17Å; S96-V100 WeakPolarHBondContact O-CG2 3.3Å; S96-V100 PolarHBondContact O-N 2.81Å; S96-V100 VanDerWaalsContact O-N 3.13Å
97	R	69.8	Low	70.1	Confident	140 Å²	140	99.1 Å²	99.1	53%	0.528	49%	0.49	S	S	.	.	H	α-helix	trans	-65.2	-43.5	177.6	-168.4	174.4	177.6	175.6	-0	111.8	L93 Q94 R99 V100 E101	L93-R97 WeakPolarHBondContact O-CB 3.4Å; L93-R97 PolarHBondContact O-N 2.96Å; Q94-R97 PolarHBondContact O-N 2.9Å; R97-R99 PolarHBondContact O-N 3.47Å; R97-V100 PolarHBondContact O-N 3.16Å; R97-E101 IonicContact NE-OE1 3.12Å; R97-E101 PolarHBondContact O-N 3.49Å
98	G	63.9	Low	67.8	Low	35 Å²	35	103.5 Å²	103.5	36%	0.361	52%	0.517	S	S	.	.	H	α-helix	trans	-60.8	-41	175	0	0	0	0	0	113.2	Q94 S95 V100 E101 L102	Q94-G98 PolarHBondContact O-N 2.94Å; S95-G98 PolarHBondContact O-N 2.68Å; G98-V100 PolarHBondContact O-N 2.92Å; G98-E101 PolarHBondContact O-N 3.44Å; G98-L102 PolarHBondContact O-N 2.94Å
99	R	63.9	Low	65.3	Low	187 Å²	187	106.8 Å²	106.8	71%	0.706	54%	0.538	S	S	*	.	H	α-helix	trans	-65.3	-36.8	175.3	-72.2	-176.1	-156.7	-176.9	6.1	113	S95 S96 R97 L102 K103	S95-R99 WeakPolarHBondContact O-CG 3.4Å; S95-R99 PolarHBondContact O-N 2.88Å; S95-R99 VanDerWaalsContact O-N 3.08Å; S96-R99 PolarHBondContact O-N 3.17Å; R97-R99 PolarHBondContact O-N 3.47Å; R99-L102 PolarHBondContact O-N 3.43Å; R99-K103 PolarHBondContact O-N 3.37Å
100	V	60.4	Low	63.1	Low	75 Å²	75	109.6 Å²	109.6	46%	0.455	56%	0.562	S	S	.	*	H	α-helix	trans	-68.8	-39.4	177.4	172.7	0	0	0	0	110.9	S96 R97 G98 K103 K104	S96-V100 WeakPolarHBondContact O-CG2 3.3Å; S96-V100 PolarHBondContact O-N 2.81Å; S96-V100 VanDerWaalsContact O-N 3.13Å; R97-V100 PolarHBondContact O-N 3.16Å; G98-V100 PolarHBondContact O-N 2.92Å; V100-K103 PolarHBondContact O-N 3Å; V100-K104 WeakPolarHBondContact O-CG 2.87Å; V100-K104 PolarHBondContact O-N 3.5Å; V100-K104 VanDerWaalsContact O-N 3.13Å
101	E	56.4	Low	60.7	Low	108 Å²	108	115.8 Å²	115.8	51%	0.505	60%	0.6	S	S	.	*	H	α-helix	trans	-65.4	-42.1	174.2	-75.4	174.4	-171.6	0	0	111.5	R97 G98 K103 K104 T105	R97-E101 IonicContact NE-OE1 3.12Å; R97-E101 PolarHBondContact O-N 3.49Å; G98-E101 PolarHBondContact O-N 3.44Å; E101-K103 VanDerWaalsContact C-N 3.35Å; E101-K103 PolarHBondContact O-N 3.07Å; E101-K104 PolarHBondContact O-N 3.14Å; E101-T105 PolarHBondContact O-N 3.35Å; E101-T105 PolarHBondContact O-OG1 2.87Å
102	L	57.8	Low	58.4	Low	126 Å²	126	116.9 Å²	116.9	66%	0.66	61%	0.613	S	S	*	*	H	α-helix	trans	-62.5	-38.2	175.2	-126.2	104	0	0	0	112.9	G98 R99 K104 T105 A106	G98-L102 PolarHBondContact O-N 2.94Å; R99-L102 PolarHBondContact O-N 3.43Å; L102-K104 VanDerWaalsContact C-N 3.34Å; L102-T105 WeakPolarHBondContact CA-OG1 3.06Å; L102-T105 PolarHBondContact O-N 3.11Å; L102-T105 PolarHBondContact O-OG1 2.78Å; L102-T105 VanDerWaalsContact O-OG1 3.08Å; L102-A106 WeakPolarHBondContact O-CB 3.38Å; L102-A106 PolarHBondContact O-N 2.9Å
103	K	57.2	Low	56.1	Low	162 Å²	162	114.2 Å²	114.2	70%	0.704	62%	0.618	S	S	*	*	H	α-helix	trans	-69.4	-30.3	176.2	-80.1	-173.7	176.4	-175.8	0	112.9	R99 V100 E101	R99-K103 PolarHBondContact O-N 3.37Å; V100-K103 PolarHBondContact O-N 3Å; E101-K103 VanDerWaalsContact C-N 3.35Å; E101-K103 PolarHBondContact O-N 3.07Å
104	K	53.7	Low	53.8	Low	163 Å²	163	116.9 Å²	116.9	71%	0.709	64%	0.641	S	S	*	*	H	α-helix	trans	-73.5	-36.4	174.6	-75.3	-179.8	178.8	-178.2	0	112.1	V100 E101 L102	V100-K104 WeakPolarHBondContact O-CG 2.87Å; V100-K104 PolarHBondContact O-N 3.5Å; V100-K104 VanDerWaalsContact O-N 3.13Å; E101-K104 PolarHBondContact O-N 3.14Å; L102-K104 VanDerWaalsContact C-N 3.34Å
105	T	52.8	Low	52.1	Low	117 Å²	117	120.7 Å²	120.7	72%	0.718	66%	0.663	S	S	*	*	H	α-helix	trans	-78.6	-24.8	176.3	51.6	0	0	0	0	112.9	E101 L102	E101-T105 PolarHBondContact O-N 3.35Å; E101-T105 PolarHBondContact O-OG1 2.87Å; L102-T105 WeakPolarHBondContact CA-OG1 3.06Å; L102-T105 PolarHBondContact O-N 3.11Å; L102-T105 PolarHBondContact O-OG1 2.78Å; L102-T105 VanDerWaalsContact O-OG1 3.08Å
106	A	53.3	Low	50	Low	70 Å²	70	126.9 Å²	126.9	58%	0.579	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.8	8.3	-178.7	0	0	0	0	0	115.6	L102 P108	L102-A106 WeakPolarHBondContact O-CB 3.38Å; L102-A106 PolarHBondContact O-N 2.9Å; A106-P108 VanDerWaalsContact O-CD 3.31Å; A106-P108 WeakPolarHBondContact O-CD 3.41Å
107	M	41.3	Very low	47.9	Very low	159 Å²	159	128.9 Å²	128.9	78%	0.783	70%	0.696	S	S	*	*			trans	-97.7	103.4	166.5	-73.3	-161.2	89.4	0	0	109.8
108	P	41.9	Very low	46.3	Very low	112 Å²	112	132.6 Å²	132.6	73%	0.727	72%	0.716	S	S	*	*			trans	-72.8	139.5	172.2	-4.3	22.7	0	0	0	109.3	A106 S110	A106-P108 VanDerWaalsContact O-CD 3.31Å; A106-P108 WeakPolarHBondContact O-CD 3.41Å; P108-S110 PolarHBondContact O-N 3.09Å
109	H	37.7	Very low	44.8	Very low	203 Å²	203	135 Å²	135	94%	0.94	73%	0.733	S	S	*	*			trans	-59.3	101	167.7	-76.8	-85.2	0	0	0	110.4
110	S	41.3	Very low	43.1	Very low	99 Å²	99	137.4 Å²	137.4	69%	0.692	74%	0.742	S	S	*	*			trans	-141.9	99.3	160.3	65.2	0	0	0	0	111.3	P108	P108-S110 PolarHBondContact O-N 3.09Å
111	V	37.5	Very low	41.6	Very low	135 Å²	135	140.9 Å²	140.9	82%	0.818	76%	0.763	S	S	*	*			trans	1.2	123.3	134.2	-151.8	0	0	0	0	112.6
112	V	38.1	Very low	40.3	Very low	120 Å²	120	141.5 Å²	141.5	73%	0.727	78%	0.775	S	S	*	*				-162.1	145.6	54.4	-178.1	0	0	0	0	107.3	S114	V112-S114 PolarHBondContact O-N 3.39Å
113	P	36	Very low	38.9	Very low	122 Å²	122	144.6 Å²	144.6	79%	0.792	78%	0.783	S	S	*	*			trans	-82.5	114.4	-179.9	25.6	-18.2	0	0	0	111.7
114	S	32.4	Very low	37.8	Very low	103 Å²	103	144.9 Å²	144.9	72%	0.72	79%	0.792	S	S	*	*			trans	-102.8	122.1	168.7	170.2	0	0	0	0	109.7	V112 F116	V112-S114 PolarHBondContact O-N 3.39Å; S114-F116 VanDerWaalsContact C-N 3.27Å; S114-F116 PolarHBondContact O-N 3.49Å
115	L	45.6	Very low	36.6	Very low	163 Å²	163	142.9 Å²	142.9	85%	0.853	79%	0.793	S	S	*	*	S	Bend	trans	-78.6	18.1	-169.2	-88.5	163.8	0	0	0	115.8
116	F	33.2	Very low	35.4	Very low	197 Å²	197	143.3 Å²	143.3	86%	0.864	80%	0.801	S	S	*	*			trans	-132.2	72.5	-178.1	-82.1	-85.8	0	0	0	113.5	S114	S114-F116 VanDerWaalsContact C-N 3.27Å; S114-F116 PolarHBondContact O-N 3.49Å
117	S	31	Very low	34.3	Very low	111 Å²	111	148.3 Å²	148.3	78%	0.776	81%	0.812	S	S	*	*			trans	-150.5	44.8	154.8	65.7	0	0	0	0	112.5	A119	S117-A119 PolarHBondContact O-N 3.22Å; S117-A119 VanDerWaalsContact O-N 3.14Å
118	F	37.5	Very low	33.8	Very low	217 Å²	217	148.4 Å²	148.4	95%	0.952	82%	0.816	S	S	*	*			trans	-76.6	17.1	172.4	-165.2	-104.6	0	0	0	113.8
119	A	30.7	Very low	33.3	Very low	86 Å²	86	151.5 Å²	151.5	71%	0.711	82%	0.821	S	S	*	*	S	Bend	trans	-149.1	57.1	-172	0	0	0	0	0	115.1	S117	S117-A119 PolarHBondContact O-N 3.22Å; S117-A119 VanDerWaalsContact O-N 3.14Å
120	R	28.5	Very low	33.1	Very low	237 Å²	237	146.7 Å²	146.7	89%	0.894	81%	0.81	S	S	*	*	S	Bend	trans	-176.3	70.3	145	-124.7	175.4	-83.3	-154.9	-5	115.2
121	T	29	Very low	33	Very low	148 Å²	148	151.5 Å²	151.5	91%	0.908	81%	0.814	S	S	*	*			trans	-147.7	64.2	151.6	-41.1	0	0	0	0	110.1
122	T	28.9	Very low	33.6	Very low	122 Å²	122	150.1 Å²	150.1	75%	0.748	81%	0.808	S	S	*	*			trans	-113	135.5	160.8	-35.8	0	0	0	0	105.7
123	F	29.7	Very low	34.4	Very low	190 Å²	190	149.1 Å²	149.1	83%	0.833	79%	0.791	S	S	*	*			trans	88.2	72.7	-179.3	-67.1	-91.7	0	0	0	117.6
124	L	33.1	Very low	36	Very low	169 Å²	169	145.7 Å²	145.7	89%	0.885	77%	0.77	S	S	*	*	S	Bend	trans	-134.7	99.4	133.3	-76.9	179.9	0	0	0	109.4
125	V	29.6	Very low	38	Very low	120 Å²	120	143.8 Å²	143.8	73%	0.727	75%	0.751	S	S	*	*			trans	49.6	105	147.7	-169.1	0	0	0	0	117.3	E127	V125-E127 PolarHBondContact O-N 2.77Å
126	S	26.9	Very low	39.2	Very low	126 Å²	126	142.1 Å²	142.1	88%	0.881	74%	0.737	S	S	*	*			trans	-58.1	90.4	157.2	16.6	0	0	0	0	110.7
127	E	30.3	Very low	41.2	Very low	176 Å²	176	136.3 Å²	136.3	82%	0.822	72%	0.715	S	S	*	*			trans	-75.8	133.9	156.7	-104.8	179.4	162.5	0	0	108.6	V125 Q129	V125-E127 PolarHBondContact O-N 2.77Å; E127-Q129 PolarHBondContact O-N 2.84Å
128	D	30.2	Very low	43.5	Very low	160 Å²	160	131 Å²	131	86%	0.856	68%	0.678	S	S	*	*			trans	-29.1	114.3	-175.5	-94.5	-38.1	0	0	0	114.4	S130	D128-S130 PolarHBondContact O-N 3.24Å
129	Q	31.2	Very low	45.5	Very low	178 Å²	178	123.8 Å²	123.8	83%	0.832	64%	0.644	S	S	*	*			trans	-71.3	56.7	162.3	-74.1	-174.3	-10.2	0	0	110.3	E127 Y131	E127-Q129 PolarHBondContact O-N 2.84Å; Q129-Y131 VanDerWaalsContact C-N 3.34Å; Q129-Y131 PolarHBondContact O-N 2.95Å; Q129-Y131 VanDerWaalsContact O-N 3.17Å
130	S	33.8	Very low	47.4	Very low	101 Å²	101	121.3 Å²	121.3	71%	0.706	62%	0.62	S	S	*	*			trans	-74.6	99	153.4	-178.8	0	0	0	0	105.5	D128	D128-S130 PolarHBondContact O-N 3.24Å
131	Y	40.1	Very low	49.8	Very low	200 Å²	200	110.5 Å²	110.5	78%	0.784	58%	0.58	S	S	*	*			trans	-35.4	116.9	175.4	-76	-95.9	0	0	0	109.6	Q129 R133	Q129-Y131 VanDerWaalsContact C-N 3.34Å; Q129-Y131 PolarHBondContact O-N 2.95Å; Q129-Y131 VanDerWaalsContact O-N 3.17Å; Y131-R133 PolarHBondContact O-N 3.16Å
132	P	48.8	Very low	52.4	Low	106 Å²	106	103.5 Å²	103.5	69%	0.688	54%	0.537	S	S	*	.			trans	-58	117.4	178.1	21.3	-30.3	0	0	0	106.7	L93 S134	L93-P132 HydrophobicContact CD2-CB 4.26Å; P132-S134 PolarHBondContact O-N 2.74Å; P132-S134 VanDerWaalsContact O-N 3.13Å
133	R	56.5	Low	54.6	Low	99 Å²	99	98.9 Å²	98.9	37%	0.374	51%	0.51	S	S	.	.			trans	-43.5	126.4	174.5	-85.1	-164.9	-109.1	-151.6	-4.5	107.3	E85 E89 Y131 D137	E85-R133 IonicContact OE1-NH2 3.85Å; E89-R133 IonicContact OE1-CZ 3.38Å; E89-R133 IonicContact OE1-NE 2.79Å; E89-R133 PolarHBondContact OE1-NE 3.21Å; E89-R133 IonicContact OE1-NH2 3.9Å; E89-R133 PolarHBondContact OE1-NH2 3.37Å; E89-R133 IonicContact OE2-CZ 3.39Å; E89-R133 IonicContact OE2-NE 2.74Å; E89-R133 PolarHBondContact OE2-NE 2.93Å; E89-R133 IonicContact OE2-NH2 3.12Å; E89-R133 PolarHBondContact OE2-NH2 3.2Å; E89-R133 VanDerWaalsContact OE2-NH2 3.1Å; Y131-R133 PolarHBondContact O-N 3.16Å; R133-D137 HydrophobicContact CB-CB 4.15Å; R133-D137 HydrophobicContact CG-CB 4.4Å
134	S	68.7	Low	56.6	Low	50 Å²	50	95.4 Å²	95.4	35%	0.35	50%	0.496	S	S	.	.			trans	-62.1	155.1	-178.3	74.9	0	0	0	0	108.9	P132 K136 D137 L138	P132-S134 PolarHBondContact O-N 2.74Å; P132-S134 VanDerWaalsContact O-N 3.13Å; S134-K136 PolarHBondContact O-N 2.94Å; S134-K136 PolarHBondContact OG-N 3.13Å; S134-D137 VanDerWaalsContact CB-OD2 3.28Å; S134-D137 WeakPolarHBondContact CB-OD2 3.33Å; S134-D137 PolarHBondContact N-OD2 3.01Å; S134-D137 WeakPolarHBondContact O-CA 3.47Å; S134-D137 WeakPolarHBondContact O-CB 3.43Å; S134-D137 PolarHBondContact O-N 3.39Å; S134-D137 PolarHBondContact OG-N 2.99Å; S134-D137 PolarHBondContact OG-OD1 3.5Å; S134-D137 PolarHBondContact OG-OD2 2.96Å; S134-L138 PolarHBondContact O-N 3.5Å
135	L	74.3	Confident	59	Low	63 Å²	63	87.4 Å²	87.4	33%	0.33	45%	0.454	S	S	.	.	H	α-helix	trans	-57.4	-23.3	176.6	-163.6	144	0	0	0	111.7	R139 L213	L135-R139 HydrophobicContact CD2-CG 4.49Å; L135-R139 VanDerWaalsContact CD2-NH2 3.33Å; L135-R139 VanDerWaalsContact O-CG 3.25Å; L135-R139 WeakPolarHBondContact O-CG 3Å; L135-R139 PolarHBondContact O-N 3.48Å; L135-L213 HydrophobicContact CG-CD2 4.47Å
136	K	72.2	Confident	61.4	Low	129 Å²	129	82.7 Å²	82.7	56%	0.561	42%	0.424	S	S	*	.	H	α-helix	trans	-70.1	-46.1	170.4	-174.6	-172.5	172.4	-165.1	0	112.1	S134 L138 R139 D140	S134-K136 PolarHBondContact O-N 2.94Å; S134-K136 PolarHBondContact OG-N 3.13Å; K136-L138 VanDerWaalsContact C-N 3.3Å; K136-L138 PolarHBondContact O-N 2.94Å; K136-R139 WeakPolarHBondContact O-CB 3.37Å; K136-R139 PolarHBondContact O-N 2.94Å; K136-D140 PolarHBondContact O-N 2.88Å
137	D	74.1	Confident	63.7	Low	74 Å²	74	79 Å²	79	40%	0.396	39%	0.394	S	S	.	.	H	α-helix	trans	-63.6	-38.4	178.8	-52.8	-36.9	0	0	0	111.1	R133 S134 D140 A141	R133-D137 HydrophobicContact CB-CB 4.15Å; R133-D137 HydrophobicContact CG-CB 4.4Å; S134-D137 VanDerWaalsContact CB-OD2 3.28Å; S134-D137 WeakPolarHBondContact CB-OD2 3.33Å; S134-D137 PolarHBondContact N-OD2 3.01Å; S134-D137 WeakPolarHBondContact O-CA 3.47Å; S134-D137 WeakPolarHBondContact O-CB 3.43Å; S134-D137 PolarHBondContact O-N 3.39Å; S134-D137 PolarHBondContact OG-N 2.99Å; S134-D137 PolarHBondContact OG-OD1 3.5Å; S134-D137 PolarHBondContact OG-OD2 2.96Å; D137-D140 PolarHBondContact O-N 2.98Å; D137-A141 WeakPolarHBondContact O-CB 3.43Å; D137-A141 PolarHBondContact O-N 3.2Å
138	L	80.3	Confident	66	Low	1 Å²	1	72.4 Å²	72.4	1%	0.005	37%	0.367	C	S	.	.	H	α-helix	trans	-66	-42.9	175.6	-169.4	69.3	0	0	0	111.4	L86 E89 L90 L93 S134 K136 D140 A141 F142 L213	L86-L138 HydrophobicContact CD2-CD1 4.12Å; E89-L138 HydrophobicContact CB-CD1 4.14Å; L90-L138 HydrophobicContact CB-CD2 3.82Å; L90-L138 HydrophobicContact CD1-CD2 3.44Å; L90-L138 VanDerWaalsContact CD1-CD2 3.44Å; L90-L138 HydrophobicContact CG-CD2 4.19Å; L93-L138 HydrophobicContact CD1-CB 4.4Å; L93-L138 HydrophobicContact CD1-CD2 3.86Å; S134-L138 PolarHBondContact O-N 3.5Å; K136-L138 VanDerWaalsContact C-N 3.3Å; K136-L138 PolarHBondContact O-N 2.94Å; L138-D140 VanDerWaalsContact C-N 3.33Å; L138-D140 PolarHBondContact O-N 3.35Å; L138-A141 PolarHBondContact O-N 2.91Å; L138-F142 HydrophobicContact CD1-CD2 4.26Å; L138-F142 HydrophobicContact CD1-CE2 4.03Å; L138-F142 HydrophobicContact CD2-CE2 4.32Å; L138-F142 HydrophobicContact CG-CD2 4Å; L138-F142 HydrophobicContact CG-CE2 3.98Å; L138-F142 WeakPolarHBondContact O-CD2 3.38Å; L138-F142 PolarHBondContact O-N 3.35Å; L138-L213 HydrophobicContact CD2-CD2 4.25Å
139	R	78.4	Confident	68.6	Low	64 Å²	64	64.8 Å²	64.8	24%	0.242	33%	0.326	C	S	.	.	H	α-helix	trans	-57.8	-46.1	173.3	-78.4	170.8	177	150.4	-7.5	111.5	L135 K136 A141 F142 C143 L213 E214	L135-R139 HydrophobicContact CD2-CG 4.49Å; L135-R139 VanDerWaalsContact CD2-NH2 3.33Å; L135-R139 VanDerWaalsContact O-CG 3.25Å; L135-R139 WeakPolarHBondContact O-CG 3Å; L135-R139 PolarHBondContact O-N 3.48Å; K136-R139 WeakPolarHBondContact O-CB 3.37Å; K136-R139 PolarHBondContact O-N 2.94Å; R139-A141 VanDerWaalsContact C-N 3.33Å; R139-F142 PolarHBondContact O-N 3Å; R139-C143 PolarHBondContact O-N 3Å; R139-C143 VanDerWaalsContact O-N 3.12Å; R139-C143 PolarHBondContact O-SG 2.8Å; R139-L213 HydrophobicContact CG-CB 4.36Å; R139-L213 HydrophobicContact CG-CD1 4.01Å; R139-L213 HydrophobicContact CG-CD2 4.13Å; R139-L213 HydrophobicContact CG-CG 4.42Å; R139-L213 PolarHBondContact NH2-O 3.37Å; R139-E214 IonicContact NE-OE1 2.77Å
140	D	70.7	Confident	70.9	Confident	35 Å²	35	56.7 Å²	56.7	19%	0.187	29%	0.289	C	S	.	.	H	α-helix	trans	-63.6	-40.4	178.6	-69.5	-25.9	0	0	0	110.7	K136 D137 L138 F142 C143 E144 R313	K136-D140 PolarHBondContact O-N 2.88Å; D137-D140 PolarHBondContact O-N 2.98Å; L138-D140 VanDerWaalsContact C-N 3.33Å; L138-D140 PolarHBondContact O-N 3.35Å; D140-F142 PolarHBondContact O-N 3.37Å; D140-C143 WeakPolarHBondContact O-CB 3.25Å; D140-C143 PolarHBondContact O-N 3.47Å; D140-C143 VanDerWaalsContact O-N 3.16Å; D140-E144 PolarHBondContact O-N 3.05Å; D140-R313 IonicContact OD1-CZ 2.8Å; D140-R313 IonicContact OD1-NH1 3.53Å; D140-R313 PolarHBondContact OD1-NH1 2.97Å; D140-R313 IonicContact OD1-NH2 2.92Å; D140-R313 PolarHBondContact OD1-NH2 2.71Å; D140-R313 IonicContact OD2-NH1 3.33Å
141	A	78.3	Confident	73.1	Confident	9 Å²	9	52.7 Å²	52.7	7%	0.074	26%	0.259	C	S	.	.	H	α-helix	trans	-64.1	-39.5	176.3	0	0	0	0	0	113.8	L86 D137 L138 R139 C143 E144 F145	L86-A141 HydrophobicContact CD2-CB 3.75Å; D137-A141 WeakPolarHBondContact O-CB 3.43Å; D137-A141 PolarHBondContact O-N 3.2Å; L138-A141 PolarHBondContact O-N 2.91Å; R139-A141 VanDerWaalsContact C-N 3.33Å; A141-C143 VanDerWaalsContact C-N 3.33Å; A141-E144 PolarHBondContact O-N 3.33Å; A141-F145 WeakPolarHBondContact O-CB 3.42Å; A141-F145 PolarHBondContact O-N 2.74Å
142	F	83.3	Confident	75.3	Confident	1 Å²	1	43.4 Å²	43.4	0%	0.004	22%	0.223	C	C	.	.	H	α-helix	trans	-65.1	-35.4	172.6	-91.7	-84.3	0	0	0	112.2	L86 L90 L138 R139 D140 F145 Y146 T205 A208 V209 L213	L86-F142 HydrophobicContact CB-CE1 4.37Å; L86-F142 HydrophobicContact CB-CE2 4Å; L86-F142 HydrophobicContact CB-CZ 3.84Å; L90-F142 HydrophobicContact CB-CE2 4.34Å; L90-F142 HydrophobicContact CD2-CE2 3.92Å; L90-F142 HydrophobicContact CD2-CZ 3.76Å; L138-F142 HydrophobicContact CD1-CD2 4.26Å; L138-F142 HydrophobicContact CD1-CE2 4.03Å; L138-F142 HydrophobicContact CD2-CE2 4.32Å; L138-F142 HydrophobicContact CG-CD2 4Å; L138-F142 HydrophobicContact CG-CE2 3.98Å; L138-F142 WeakPolarHBondContact O-CD2 3.38Å; L138-F142 PolarHBondContact O-N 3.35Å; R139-F142 PolarHBondContact O-N 3Å; D140-F142 PolarHBondContact O-N 3.37Å; F142-F145 PolarHBondContact O-N 3.47Å; F142-Y146 VanDerWaalsContact O-CB 3.32Å; F142-Y146 WeakPolarHBondContact O-CB 3.5Å; F142-Y146 PolarHBondContact O-N 3.01Å; F142-T205 HydrophobicContact CD1-CG2 3.95Å; F142-A208 HydrophobicContact CE1-CB 3.97Å; F142-A208 HydrophobicContact CZ-CB 4.38Å; F142-V209 HydrophobicContact CB-CG2 3.77Å; F142-V209 HydrophobicContact CD1-CG2 3.64Å; F142-V209 HydrophobicContact CE1-CG2 4.47Å; F142-V209 HydrophobicContact CG-CG2 3.84Å; F142-L213 HydrophobicContact CB-CD1 4.4Å; F142-L213 HydrophobicContact CD2-CD1 3.74Å; F142-L213 HydrophobicContact CE2-CD1 4.27Å; F142-L213 HydrophobicContact CG-CD1 4.14Å
143	C	75.7	Confident	76.9	Confident	25 Å²	25	39.8 Å²	39.8	17%	0.169	20%	0.197	C	C	.	.	H	α-helix	trans	-66.9	-45.2	176	-62.4	0	0	0	0	111.6	R139 D140 A141 F145 Y146 L147	R139-C143 PolarHBondContact O-N 3Å; R139-C143 VanDerWaalsContact O-N 3.12Å; R139-C143 PolarHBondContact O-SG 2.8Å; D140-C143 WeakPolarHBondContact O-CB 3.25Å; D140-C143 PolarHBondContact O-N 3.47Å; D140-C143 VanDerWaalsContact O-N 3.16Å; A141-C143 VanDerWaalsContact C-N 3.33Å; C143-F145 VanDerWaalsContact C-N 3.32Å; C143-F145 PolarHBondContact O-N 3.11Å; C143-Y146 PolarHBondContact O-N 3.17Å; C143-L147 WeakPolarHBondContact O-CB 3.29Å; C143-L147 PolarHBondContact O-N 2.74Å
144	E	72.3	Confident	78	Confident	118 Å²	118	35.5 Å²	35.5	55%	0.551	18%	0.182	S	C	*	.	H	α-helix	trans	-62	-41.1	174.5	-70.9	-179.5	-175.6	0	0	112.1	R82 D140 A141 L147 S148	R82-E144 IonicContact NH2-OE2 2.77Å; R82-E144 PolarHBondContact NH2-OE2 3.28Å; D140-E144 PolarHBondContact O-N 3.05Å; A141-E144 PolarHBondContact O-N 3.33Å; E144-L147 PolarHBondContact O-N 3.42Å; E144-S148 PolarHBondContact O-N 2.95Å
145	F	82.2	Confident	78.7	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-64.6	-47.3	177.5	-179	-115.4	0	0	0	111.7	A79 R82 F83 L86 A141 F142 C143 L147 S148 L149 T205	A79-F145 HydrophobicContact CB-CE2 4.03Å; A79-F145 HydrophobicContact CB-CZ 4.32Å; A79-F145 WeakPolarHBondContact O-CE2 2.83Å; A79-F145 VanDerWaalsContact O-CZ 3.25Å; A79-F145 WeakPolarHBondContact O-CZ 3.35Å; R82-F145 HydrophobicContact CB-CD2 4.13Å; R82-F145 HydrophobicContact CB-CE2 3.96Å; R82-F145 HydrophobicContact CG-CD2 3.75Å; R82-F145 HydrophobicContact CG-CE2 4.1Å; F83-F145 HydrophobicContact CB-CE1 3.78Å; F83-F145 HydrophobicContact CB-CZ 3.64Å; F83-F145 HydrophobicContact CD2-CD1 4.5Å; F83-F145 AromaticContact CD2-CE1 3.74Å; F83-F145 HydrophobicContact CD2-CE1 3.74Å; F83-F145 HydrophobicContact CD2-CZ 4.45Å; F83-F145 HydrophobicContact CG-CE1 4.22Å; L86-F145 HydrophobicContact CD1-CB 3.66Å; L86-F145 HydrophobicContact CD1-CD1 4.1Å; L86-F145 HydrophobicContact CD1-CD2 4.46Å; L86-F145 HydrophobicContact CD1-CG 3.8Å; A141-F145 WeakPolarHBondContact O-CB 3.42Å; A141-F145 PolarHBondContact O-N 2.74Å; F142-F145 PolarHBondContact O-N 3.47Å; C143-F145 VanDerWaalsContact C-N 3.32Å; C143-F145 PolarHBondContact O-N 3.11Å; F145-L147 VanDerWaalsContact C-N 3.33Å; F145-L147 PolarHBondContact O-N 2.88Å; F145-S148 WeakPolarHBondContact O-CA 3.43Å; F145-S148 WeakPolarHBondContact O-CB 3.48Å; F145-S148 PolarHBondContact O-N 3.45Å; F145-S148 PolarHBondContact O-OG 3.26Å; F145-L149 HydrophobicContact CD1-CD1 4.17Å; F145-L149 HydrophobicContact CE1-CD1 3.61Å; F145-L149 HydrophobicContact CE1-CD2 4.46Å; F145-L149 HydrophobicContact CE1-CG 4.12Å; F145-L149 HydrophobicContact CE2-CD2 4.23Å; F145-L149 HydrophobicContact CE2-CG 4.31Å; F145-L149 HydrophobicContact CZ-CD1 3.88Å; F145-L149 HydrophobicContact CZ-CD2 3.87Å; F145-L149 HydrophobicContact CZ-CG 3.96Å; F145-L149 PolarHBondContact O-N 3.48Å; F145-T205 HydrophobicContact CD1-CG2 3.95Å; F145-T205 HydrophobicContact CE1-CG2 4.4Å; F145-T205 VanDerWaalsContact CE1-OG1 3.31Å; F145-T205 WeakPolarHBondContact CE1-OG1 3.41Å
146	Y	81.4	Confident	79.4	Confident	22 Å²	22	31 Å²	31	9%	0.086	15%	0.154	C	C	.	.	H	α-helix	trans	-57.5	-45.9	175.1	-175.4	-98.1	0	0	0	111.7	F142 C143 S148 L149 I150 I202 T205 E206 L225	F142-Y146 VanDerWaalsContact O-CB 3.32Å; F142-Y146 WeakPolarHBondContact O-CB 3.5Å; F142-Y146 PolarHBondContact O-N 3.01Å; C143-Y146 PolarHBondContact O-N 3.17Å; Y146-S148 VanDerWaalsContact C-N 3.28Å; Y146-S148 PolarHBondContact O-N 2.96Å; Y146-L149 WeakPolarHBondContact O-CB 3.33Å; Y146-L149 PolarHBondContact O-N 3.01Å; Y146-L149 VanDerWaalsContact O-N 3.13Å; Y146-I150 HydrophobicContact CD1-CG1 4.04Å; Y146-I150 HydrophobicContact CE1-CD1 4.1Å; Y146-I150 HydrophobicContact CE1-CG1 3.71Å; Y146-I150 WeakPolarHBondContact O-CG1 3.44Å; Y146-I150 PolarHBondContact O-N 2.84Å; Y146-I202 HydrophobicContact CE2-CG2 3.86Å; Y146-T205 HydrophobicContact CD2-CG2 4.1Å; Y146-E206 HydrophobicContact CD2-CG 4.3Å; Y146-E206 HydrophobicContact CE2-CG 3.54Å; Y146-E206 WeakPolarHBondContact CE2-OE1 3.28Å; Y146-E206 PolarHBondContact OH-OE1 3.25Å; Y146-L225 HydrophobicContact CD1-CB 3.89Å; Y146-L225 HydrophobicContact CD1-CD2 4.24Å; Y146-L225 VanDerWaalsContact CD1-O 3.3Å; Y146-L225 WeakPolarHBondContact CD1-O 3.45Å; Y146-L225 HydrophobicContact CD2-CD1 4.32Å; Y146-L225 HydrophobicContact CD2-CD2 4.22Å; Y146-L225 HydrophobicContact CE1-CB 4Å; Y146-L225 WeakPolarHBondContact CE1-O 3.4Å; Y146-L225 HydrophobicContact CE2-CD1 4.46Å; Y146-L225 HydrophobicContact CG-CB 4.18Å; Y146-L225 HydrophobicContact CG-CD2 3.77Å; Y146-L225 HydrophobicContact CG-CG 4.4Å
147	L	74.8	Confident	80	Confident	49 Å²	49	27.5 Å²	27.5	26%	0.257	14%	0.139	S	C	.	.	H	α-helix	trans	-55.4	-44.3	173.5	170.2	63.4	0	0	0	111.6	C143 E144 F145 L149 I150 L151 V227 L663	C143-L147 WeakPolarHBondContact O-CB 3.29Å; C143-L147 PolarHBondContact O-N 2.74Å; E144-L147 PolarHBondContact O-N 3.42Å; F145-L147 VanDerWaalsContact C-N 3.33Å; F145-L147 PolarHBondContact O-N 2.88Å; L147-L149 VanDerWaalsContact C-N 3.3Å; L147-L149 PolarHBondContact O-N 3.36Å; L147-I150 PolarHBondContact O-N 3.47Å; L147-L151 HydrophobicContact CD1-CD1 4.29Å; L147-L151 HydrophobicContact CD1-CG 4.15Å; L147-L151 HydrophobicContact CG-CD1 4.23Å; L147-L151 VanDerWaalsContact O-CG 3.3Å; L147-L151 WeakPolarHBondContact O-CG 3.4Å; L147-L151 PolarHBondContact O-N 3.35Å; L147-V227 HydrophobicContact CB-CG2 4.18Å; L147-V227 HydrophobicContact CD1-CG1 4.38Å; L147-V227 HydrophobicContact CD1-CG2 3.7Å; L147-V227 HydrophobicContact CG-CG2 4.46Å; L147-L663 HydrophobicContact CD1-CD1 3.51Å; L147-L663 HydrophobicContact CD1-CD2 4.21Å; L147-L663 HydrophobicContact CD1-CG 4.49Å
148	S	79.1	Confident	80.3	Confident	37 Å²	37	24.4 Å²	24.4	26%	0.259	12%	0.122	S	C	.	.	H	α-helix	trans	-62.5	-35.7	178.8	80.1	0	0	0	0	113.2	E144 F145 Y146 L152	E144-S148 PolarHBondContact O-N 2.95Å; F145-S148 WeakPolarHBondContact O-CA 3.43Å; F145-S148 WeakPolarHBondContact O-CB 3.48Å; F145-S148 PolarHBondContact O-N 3.45Å; F145-S148 PolarHBondContact O-OG 3.26Å; Y146-S148 VanDerWaalsContact C-N 3.28Å; Y146-S148 PolarHBondContact O-N 2.96Å; S148-L152 PolarHBondContact O-N 2.99Å; S148-L152 VanDerWaalsContact O-N 3.12Å
149	L	84.9	Confident	80.8	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-68.1	-46.7	174.8	-65.9	177	0	0	0	111.4	A79 F145 Y146 L147 L151 L152 Q153 L201 I202	A79-L149 HydrophobicContact CB-CD2 3.83Å; F145-L149 HydrophobicContact CD1-CD1 4.17Å; F145-L149 HydrophobicContact CE1-CD1 3.61Å; F145-L149 HydrophobicContact CE1-CD2 4.46Å; F145-L149 HydrophobicContact CE1-CG 4.12Å; F145-L149 HydrophobicContact CE2-CD2 4.23Å; F145-L149 HydrophobicContact CE2-CG 4.31Å; F145-L149 HydrophobicContact CZ-CD1 3.88Å; F145-L149 HydrophobicContact CZ-CD2 3.87Å; F145-L149 HydrophobicContact CZ-CG 3.96Å; F145-L149 PolarHBondContact O-N 3.48Å; Y146-L149 WeakPolarHBondContact O-CB 3.33Å; Y146-L149 PolarHBondContact O-N 3.01Å; Y146-L149 VanDerWaalsContact O-N 3.13Å; L147-L149 VanDerWaalsContact C-N 3.3Å; L147-L149 PolarHBondContact O-N 3.36Å; L149-L151 VanDerWaalsContact C-N 3.29Å; L149-L151 PolarHBondContact O-N 2.99Å; L149-L152 PolarHBondContact O-N 3.14Å; L149-Q153 PolarHBondContact O-N 3.38Å; L149-L201 HydrophobicContact CD1-CB 4.02Å; L149-L201 HydrophobicContact CD2-CB 3.98Å; L149-L201 HydrophobicContact CD2-CD1 4.15Å; L149-I202 HydrophobicContact CB-CD1 4.37Å; L149-I202 HydrophobicContact CB-CG1 3.71Å; L149-I202 HydrophobicContact CD1-CG1 4Å; L149-I202 HydrophobicContact CG-CG1 4.45Å
150	I	79.9	Confident	81.3	Confident	7 Å²	7	22.1 Å²	22.1	4%	0.036	12%	0.118	C	C	.	.	H	α-helix	trans	-60.7	-40.1	177.2	-63.1	-60	0	0	0	111.1	Y146 L147 L152 Q153 N154 I202	Y146-I150 HydrophobicContact CD1-CG1 4.04Å; Y146-I150 HydrophobicContact CE1-CD1 4.1Å; Y146-I150 HydrophobicContact CE1-CG1 3.71Å; Y146-I150 WeakPolarHBondContact O-CG1 3.44Å; Y146-I150 PolarHBondContact O-N 2.84Å; L147-I150 PolarHBondContact O-N 3.47Å; I150-L152 VanDerWaalsContact C-N 3.33Å; I150-L152 PolarHBondContact O-N 2.95Å; I150-Q153 PolarHBondContact O-N 2.91Å; I150-N154 WeakPolarHBondContact O-CB 3.41Å; I150-N154 VanDerWaalsContact O-CG 3.3Å; I150-N154 PolarHBondContact O-N 3.07Å; I150-N154 PolarHBondContact O-ND2 2.97Å; I150-I202 HydrophobicContact CD1-CD1 4.07Å
151	L	79.8	Confident	82.1	Confident	18 Å²	18	21.7 Å²	21.7	9%	0.094	12%	0.116	C	C	.	.	H	α-helix	trans	-59.6	-44.2	173.6	-71.7	173.8	0	0	0	111.5	T12 W15 L147 L149 N154 Y155 I661 L663	T12-L151 HydrophobicContact CG2-CD1 4.29Å; T12-L151 HydrophobicContact CG2-CD2 4.03Å; W15-L151 HydrophobicContact CH2-CB 3.54Å; W15-L151 HydrophobicContact CZ2-CB 4.38Å; W15-L151 VanDerWaalsContact CZ3-C 3.41Å; W15-L151 HydrophobicContact CZ3-CB 3.83Å; W15-L151 WeakPolarHBondContact CZ3-O 3.41Å; L147-L151 HydrophobicContact CD1-CD1 4.29Å; L147-L151 HydrophobicContact CD1-CG 4.15Å; L147-L151 HydrophobicContact CG-CD1 4.23Å; L147-L151 VanDerWaalsContact O-CG 3.3Å; L147-L151 WeakPolarHBondContact O-CG 3.4Å; L147-L151 PolarHBondContact O-N 3.35Å; L149-L151 VanDerWaalsContact C-N 3.29Å; L149-L151 PolarHBondContact O-N 2.99Å; L151-N154 PolarHBondContact O-N 3.26Å; L151-Y155 WeakPolarHBondContact O-CB 3.23Å; L151-Y155 PolarHBondContact O-N 3.18Å; L151-I661 HydrophobicContact CD2-CD1 3.48Å; L151-I661 VanDerWaalsContact CD2-CD1 3.48Å; L151-L663 HydrophobicContact CD2-CD2 3.59Å; L151-L663 HydrophobicContact CG-CD2 4.42Å
152	L	85	Confident	82.6	Confident	4 Å²	4	21.3 Å²	21.3	2%	0.021	11%	0.113	C	C	.	.	H	α-helix	trans	-69.2	-33.8	179.7	-173.4	64.9	0	0	0	112.2	W15 Y72 K75 L76 S148 L149 I150 Y155 Q156 I198	W15-L152 HydrophobicContact CH2-CB 3.98Å; W15-L152 HydrophobicContact CH2-CD1 4.37Å; W15-L152 HydrophobicContact CZ3-CB 4.22Å; W15-L152 HydrophobicContact CZ3-CD1 4.27Å; Y72-L152 HydrophobicContact CD2-CD1 3.8Å; Y72-L152 HydrophobicContact CD2-CG 4.16Å; Y72-L152 HydrophobicContact CE2-CD1 4.19Å; Y72-L152 HydrophobicContact CE2-CD2 4.43Å; Y72-L152 HydrophobicContact CE2-CG 4.03Å; K75-L152 HydrophobicContact CB-CD1 3.65Å; K75-L152 HydrophobicContact CB-CD2 3.88Å; K75-L152 HydrophobicContact CB-CG 4.41Å; K75-L152 HydrophobicContact CG-CD1 4.34Å; L76-L152 HydrophobicContact CB-CD2 4.47Å; S148-L152 PolarHBondContact O-N 2.99Å; S148-L152 VanDerWaalsContact O-N 3.12Å; L149-L152 PolarHBondContact O-N 3.14Å; I150-L152 VanDerWaalsContact C-N 3.33Å; I150-L152 PolarHBondContact O-N 2.95Å; L152-Y155 HydrophobicContact CD1-CD1 4.3Å; L152-Y155 WeakPolarHBondContact O-CB 3.37Å; L152-Y155 PolarHBondContact O-N 3.07Å; L152-Q156 PolarHBondContact O-N 3.36Å; L152-I198 HydrophobicContact CB-CD1 3.55Å; L152-I198 HydrophobicContact CD2-CD1 3.78Å; L152-I198 HydrophobicContact CG-CD1 3.5Å; L152-I198 VanDerWaalsContact CG-CD1 3.5Å
153	Q	83.2	Confident	83.1	Confident	31 Å²	31	21.2 Å²	21.2	15%	0.145	11%	0.112	C	C	.	.	H	α-helix	trans	-66.3	-45.6	173.8	-170.2	-171.9	46.3	0	0	110.3	L149 I150 Y155 Q156 Q157 I198 D199 I202	L149-Q153 PolarHBondContact O-N 3.38Å; I150-Q153 PolarHBondContact O-N 2.91Å; Q153-Y155 VanDerWaalsContact C-N 3.29Å; Q153-Y155 PolarHBondContact O-N 3.43Å; Q153-Q156 WeakPolarHBondContact O-CB 3.43Å; Q153-Q156 PolarHBondContact O-N 3.24Å; Q153-Q157 WeakPolarHBondContact O-CG 3.4Å; Q153-Q157 PolarHBondContact O-N 2.77Å; Q153-I198 HydrophobicContact CB-CD1 3.93Å; Q153-I198 HydrophobicContact CB-CG1 4.4Å; Q153-D199 PolarHBondContact NE2-OD1 3.16Å; Q153-I202 HydrophobicContact CB-CD1 4.22Å; Q153-I202 HydrophobicContact CG-CD1 4.4Å
154	N	80	Confident	83.8	Confident	9 Å²	9	23.9 Å²	23.9	5%	0.048	12%	0.119	C	C	.	.	H	α-helix	trans	-59.9	-40.7	172.8	-73.5	-24.6	0	0	0	111.5	I150 L151 Q156 Q157 L158	I150-N154 WeakPolarHBondContact O-CB 3.41Å; I150-N154 VanDerWaalsContact O-CG 3.3Å; I150-N154 PolarHBondContact O-N 3.07Å; I150-N154 PolarHBondContact O-ND2 2.97Å; L151-N154 PolarHBondContact O-N 3.26Å; N154-Q156 PolarHBondContact O-N 3.07Å; N154-Q157 PolarHBondContact O-N 2.98Å; N154-L158 VanDerWaalsContact O-CB 3.25Å; N154-L158 WeakPolarHBondContact O-CB 3.36Å; N154-L158 VanDerWaalsContact O-CG 3.23Å; N154-L158 WeakPolarHBondContact O-CG 3.22Å; N154-L158 PolarHBondContact O-N 2.98Å
155	Y	83.6	Confident	84.5	Confident	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-59.2	-46.3	175.4	174.7	-85.8	0	0	0	112	W15 Q18 Y19 I68 F71 Y72 L151 L152 Q153 N159	W15-Y155 HydrophobicContact CB-CD2 4.43Å; W15-Y155 AromaticContact CE3-CD2 3.85Å; W15-Y155 HydrophobicContact CE3-CD2 3.85Å; W15-Y155 HydrophobicContact CE3-CG 4.1Å; W15-Y155 HydrophobicContact CZ3-CG 4.38Å; Q18-Y155 HydrophobicContact CB-CE2 4.02Å; Q18-Y155 PolarHBondContact O-OH 3.09Å; Y19-Y155 AromaticContact CD1-CD2 3.86Å; Y19-Y155 HydrophobicContact CD1-CD2 3.86Å; Y19-Y155 HydrophobicContact CD1-CE2 4.07Å; Y19-Y155 HydrophobicContact CD2-CD2 4.05Å; Y19-Y155 HydrophobicContact CD2-CE2 4.11Å; Y19-Y155 AromaticContact CE1-CD2 3.49Å; Y19-Y155 HydrophobicContact CE1-CD2 3.49Å; Y19-Y155 VanDerWaalsContact CE1-CD2 3.49Å; Y19-Y155 HydrophobicContact CE1-CE2 4.18Å; Y19-Y155 HydrophobicContact CE1-CG 4.12Å; Y19-Y155 AromaticContact CE2-CD2 3.7Å; Y19-Y155 HydrophobicContact CE2-CD2 3.7Å; Y19-Y155 HydrophobicContact CE2-CE2 4.21Å; Y19-Y155 HydrophobicContact CG-CD2 4.13Å; Y19-Y155 HydrophobicContact CG-CE2 4.03Å; Y19-Y155 AromaticContact CZ-CD2 3.4Å; I68-Y155 WeakPolarHBondContact CA-OH 3.48Å; I68-Y155 HydrophobicContact CG2-CE1 3.97Å; F71-Y155 HydrophobicContact CD1-CD1 4.47Å; F71-Y155 HydrophobicContact CD1-CD2 4.39Å; F71-Y155 AromaticContact CD1-CE1 3.81Å; F71-Y155 HydrophobicContact CD1-CE1 3.81Å; F71-Y155 AromaticContact CD1-CE2 3.73Å; F71-Y155 HydrophobicContact CD1-CE2 3.73Å; F71-Y155 AromaticContact CD1-CZ 3.39Å; F71-Y155 WeakPolarHBondContact CD1-OH 3.37Å; F71-Y155 HydrophobicContact CE1-CD2 4.17Å; F71-Y155 HydrophobicContact CE1-CE1 4.39Å; F71-Y155 AromaticContact CE1-CE2 3.89Å; F71-Y155 HydrophobicContact CE1-CE2 3.89Å; F71-Y155 AromaticContact CE1-CZ 4Å; Y72-Y155 HydrophobicContact CD2-CD1 4.31Å; L151-Y155 WeakPolarHBondContact O-CB 3.23Å; L151-Y155 PolarHBondContact O-N 3.18Å; L152-Y155 HydrophobicContact CD1-CD1 4.3Å; L152-Y155 WeakPolarHBondContact O-CB 3.37Å; L152-Y155 PolarHBondContact O-N 3.07Å; Q153-Y155 VanDerWaalsContact C-N 3.29Å; Q153-Y155 PolarHBondContact O-N 3.43Å; Y155-N159 WeakPolarHBondContact CD1-ND2 3.38Å; Y155-N159 WeakPolarHBondContact CD2-ND2 3.31Å; Y155-N159 VanDerWaalsContact CE1-ND2 3.31Å; Y155-N159 WeakPolarHBondContact CE1-ND2 3.45Å; Y155-N159 WeakPolarHBondContact CE2-ND2 3.3Å; Y155-N159 WeakPolarHBondContact O-CB 3.42Å; Y155-N159 PolarHBondContact O-N 3.49Å; Y155-N159 VanDerWaalsContact O-N 3.11Å; Y155-N159 PolarHBondContact O-ND2 3.42Å
156	Q	88.1	Confident	85	Confident	19 Å²	19	19.2 Å²	19.2	9%	0.089	10%	0.097	C	C	.	.	H	α-helix	trans	-58.4	-52.1	176.6	-169.7	-173.7	20	0	0	111.1	Y72 L152 Q153 N154 N159 A160 F192 D195	Y72-Q156 HydrophobicContact CE2-CB 4.02Å; Y72-Q156 HydrophobicContact CE2-CG 4.11Å; L152-Q156 PolarHBondContact O-N 3.36Å; Q153-Q156 WeakPolarHBondContact O-CB 3.43Å; Q153-Q156 PolarHBondContact O-N 3.24Å; N154-Q156 PolarHBondContact O-N 3.07Å; Q156-N159 PolarHBondContact O-N 3.32Å; Q156-A160 WeakPolarHBondContact O-CB 3.41Å; Q156-A160 PolarHBondContact O-N 3.14Å; Q156-F192 HydrophobicContact CG-CD2 4.17Å; Q156-F192 WeakPolarHBondContact CG-O 3.29Å; Q156-F192 PolarHBondContact NE2-O 3.15Å; Q156-D195 PolarHBondContact NE2-O 3.26Å
157	Q	84.2	Confident	85.6	Confident	55 Å²	55	18.2 Å²	18.2	26%	0.257	9%	0.093	S	C	.	.	H	α-helix	trans	-65.5	-42.8	-176.8	-68.5	177.7	2.6	0	0	113	Q153 N154 A160 T161	Q153-Q157 WeakPolarHBondContact O-CG 3.4Å; Q153-Q157 PolarHBondContact O-N 2.77Å; N154-Q157 PolarHBondContact O-N 2.98Å; Q157-A160 PolarHBondContact O-N 3.35Å; Q157-T161 WeakPolarHBondContact O-CB 3.23Å; Q157-T161 PolarHBondContact O-N 3.24Å; Q157-T161 PolarHBondContact O-OG1 2.86Å
158	L	81.8	Confident	86.4	Confident	8 Å²	8	20.7 Å²	20.7	4%	0.042	10%	0.102	C	C	.	.	H	α-helix	trans	-65.7	-42.7	179	-75.1	173.7	0	0	0	111.7	L7 H10 Y19 N154 T161 G162	L7-L158 HydrophobicContact CD1-CB 4.06Å; L7-L158 HydrophobicContact CD1-CD2 4.04Å; L7-L158 HydrophobicContact CD1-CG 4.46Å; H10-L158 HydrophobicContact CB-CD1 4.09Å; H10-L158 HydrophobicContact CB-CD2 4.32Å; Y19-L158 HydrophobicContact CD1-CB 4.46Å; Y19-L158 HydrophobicContact CE1-CB 3.96Å; Y19-L158 HydrophobicContact CE1-CD1 3.93Å; N154-L158 VanDerWaalsContact O-CB 3.25Å; N154-L158 WeakPolarHBondContact O-CB 3.36Å; N154-L158 VanDerWaalsContact O-CG 3.23Å; N154-L158 WeakPolarHBondContact O-CG 3.22Å; N154-L158 PolarHBondContact O-N 2.98Å; L158-T161 PolarHBondContact O-N 3.16Å; L158-G162 PolarHBondContact O-N 3.18Å
159	N	89.9	Confident	86.9	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-67.7	-42.3	177.4	-76.8	-58	0	0	0	111.9	Y19 I20 I68 Y155 Q156 T161 G162 F163 F192	Y19-N159 WeakPolarHBondContact CA-OD1 3.35Å; Y19-N159 WeakPolarHBondContact CD1-ND2 3.5Å; I20-N159 PolarHBondContact N-OD1 3.16Å; I68-N159 HydrophobicContact CD1-CB 4.15Å; I68-N159 WeakPolarHBondContact CD1-OD1 3.43Å; I68-N159 HydrophobicContact CG2-CB 4.08Å; Y155-N159 WeakPolarHBondContact CD1-ND2 3.38Å; Y155-N159 WeakPolarHBondContact CD2-ND2 3.31Å; Y155-N159 VanDerWaalsContact CE1-ND2 3.31Å; Y155-N159 WeakPolarHBondContact CE1-ND2 3.45Å; Y155-N159 WeakPolarHBondContact CE2-ND2 3.3Å; Y155-N159 WeakPolarHBondContact O-CB 3.42Å; Y155-N159 PolarHBondContact O-N 3.49Å; Y155-N159 VanDerWaalsContact O-N 3.11Å; Y155-N159 PolarHBondContact O-ND2 3.42Å; Q156-N159 PolarHBondContact O-N 3.32Å; N159-T161 VanDerWaalsContact C-N 3.33Å; N159-T161 PolarHBondContact O-N 3.09Å; N159-G162 PolarHBondContact O-N 3.07Å; N159-G162 VanDerWaalsContact O-N 3.16Å; N159-F163 WeakPolarHBondContact O-CD2 3.41Å; N159-F163 PolarHBondContact O-N 3.05Å; N159-F192 HydrophobicContact CB-CE2 4Å
160	A	89.7	Confident	87.2	Confident	18 Å²	18	20.6 Å²	20.6	15%	0.149	10%	0.097	C	C	.	.	H	α-helix	trans	-58	-46.2	173.9	0	0	0	0	0	111.5	Q156 Q157 G162 F163 R164 F192 F193	Q156-A160 WeakPolarHBondContact O-CB 3.41Å; Q156-A160 PolarHBondContact O-N 3.14Å; Q157-A160 PolarHBondContact O-N 3.35Å; A160-G162 VanDerWaalsContact C-N 3.33Å; A160-G162 PolarHBondContact O-N 3Å; A160-F163 PolarHBondContact O-N 3.06Å; A160-R164 WeakPolarHBondContact O-CB 3.24Å; A160-R164 PolarHBondContact O-N 3.12Å; A160-F192 HydrophobicContact CB-CE2 4.2Å; A160-F193 HydrophobicContact CB-CD2 3.82Å; A160-F193 HydrophobicContact CB-CE2 3.91Å
161	T	86.3	Confident	87.8	Confident	26 Å²	26	21.4 Å²	21.4	16%	0.16	10%	0.101	C	C	.	.	H	α-helix	trans	-64.3	-38.5	175.6	-60.2	0	0	0	0	112	F3 Q157 L158 N159 R164 K165	F3-T161 HydrophobicContact CE2-CG2 3.75Å; F3-T161 HydrophobicContact CZ-CG2 3.91Å; Q157-T161 WeakPolarHBondContact O-CB 3.23Å; Q157-T161 PolarHBondContact O-N 3.24Å; Q157-T161 PolarHBondContact O-OG1 2.86Å; L158-T161 PolarHBondContact O-N 3.16Å; N159-T161 VanDerWaalsContact C-N 3.33Å; N159-T161 PolarHBondContact O-N 3.09Å; T161-R164 PolarHBondContact O-N 3.22Å; T161-K165 HydrophobicContact CG2-CD 4.17Å; T161-K165 WeakPolarHBondContact O-CB 3.17Å; T161-K165 WeakPolarHBondContact O-CG 3.25Å; T161-K165 PolarHBondContact O-N 3.15Å
162	G	88.3	Confident	88.3	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-60.4	-51.3	176.5	0	0	0	0	0	112.4	L158 N159 A160 K165 I166	L158-G162 PolarHBondContact O-N 3.18Å; N159-G162 PolarHBondContact O-N 3.07Å; N159-G162 VanDerWaalsContact O-N 3.16Å; A160-G162 VanDerWaalsContact C-N 3.33Å; A160-G162 PolarHBondContact O-N 3Å; G162-K165 PolarHBondContact O-N 2.77Å; G162-I166 WeakPolarHBondContact O-CG2 3.12Å; G162-I166 PolarHBondContact O-N 2.76Å
163	F	93.9	Very high	88.5	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-60.5	-47	174.9	-83.7	-64.9	0	0	0	112.1	I20 C61 E64 L65 I68 N159 A160 K165 I166 L167 W182 V187 F192	I20-F163 HydrophobicContact CD1-CD1 3.67Å; I20-F163 HydrophobicContact CD1-CD2 4.15Å; I20-F163 HydrophobicContact CD1-CE1 3.72Å; I20-F163 HydrophobicContact CD1-CE2 4.22Å; I20-F163 HydrophobicContact CD1-CG 3.87Å; I20-F163 HydrophobicContact CD1-CZ 3.98Å; I20-F163 HydrophobicContact CG1-CE1 4.48Å; I20-F163 HydrophobicContact CG1-CZ 4.42Å; C61-F163 HydrophobicContact CB-CE1 4.49Å; E64-F163 HydrophobicContact CB-CZ 4.2Å; L65-F163 HydrophobicContact CB-CE1 4.33Å; L65-F163 HydrophobicContact CB-CE2 4.35Å; L65-F163 HydrophobicContact CB-CZ 3.74Å; L65-F163 HydrophobicContact CD1-CE2 3.91Å; L65-F163 HydrophobicContact CD1-CZ 4.15Å; I68-F163 HydrophobicContact CD1-CD2 4.47Å; I68-F163 HydrophobicContact CD1-CE2 3.43Å; I68-F163 VanDerWaalsContact CD1-CE2 3.43Å; I68-F163 HydrophobicContact CD1-CZ 3.85Å; N159-F163 WeakPolarHBondContact O-CD2 3.41Å; N159-F163 PolarHBondContact O-N 3.05Å; A160-F163 PolarHBondContact O-N 3.06Å; F163-K165 VanDerWaalsContact C-N 3.28Å; F163-K165 PolarHBondContact O-N 3.19Å; F163-I166 WeakPolarHBondContact O-CG2 3.38Å; F163-I166 PolarHBondContact O-N 2.82Å; F163-L167 HydrophobicContact CB-CD1 4.39Å; F163-L167 VanDerWaalsContact O-CB 3.29Å; F163-L167 WeakPolarHBondContact O-CB 3.37Å; F163-L167 WeakPolarHBondContact O-CD1 3.41Å; F163-L167 WeakPolarHBondContact O-CG 3.25Å; F163-L167 PolarHBondContact O-N 3.4Å; F163-W182 HydrophobicContact CD1-CZ3 4.4Å; F163-W182 HydrophobicContact CE1-CZ3 4.48Å; F163-V187 HydrophobicContact CB-CG1 3.91Å; F163-V187 HydrophobicContact CB-CG2 4.01Å; F163-V187 HydrophobicContact CD1-CG2 4.04Å; F163-V187 HydrophobicContact CD2-CG1 4.19Å; F163-V187 HydrophobicContact CD2-CG2 4.43Å; F163-V187 HydrophobicContact CG-CG1 4.18Å; F163-V187 HydrophobicContact CG-CG2 3.91Å; F163-F192 HydrophobicContact CD2-CZ 4.19Å; F163-F192 HydrophobicContact CE2-CZ 4.49Å
164	R	91.4	Very high	88.7	Confident	81 Å²	81	28.4 Å²	28.4	31%	0.306	13%	0.133	S	C	.	.	H	α-helix	trans	-54.8	-45.3	176.9	-175.6	-179.7	65.1	94	-6.2	111.8	A160 T161 K168	A160-R164 WeakPolarHBondContact O-CB 3.24Å; A160-R164 PolarHBondContact O-N 3.12Å; T161-R164 PolarHBondContact O-N 3.22Å; R164-K168 VanDerWaalsContact O-CB 3.22Å; R164-K168 WeakPolarHBondContact O-CB 3.49Å; R164-K168 PolarHBondContact O-N 3.49Å
165	K	87.7	Confident	88.9	Confident	20 Å²	20	36.5 Å²	36.5	9%	0.087	17%	0.171	C	C	.	.	H	α-helix	trans	-74	-37.7	-178	-78	-178.2	178.4	176.3	0	113.8	F3 Y22 T161 G162 F163 K169	F3-K165 HydrophobicContact CB-CD 3.99Å; F3-K165 HydrophobicContact CD1-CB 4.23Å; F3-K165 HydrophobicContact CD1-CD 3.32Å; F3-K165 HydrophobicContact CD1-CG 4.41Å; F3-K165 HydrophobicContact CD2-CD 3.59Å; F3-K165 HydrophobicContact CE1-CB 4.13Å; F3-K165 HydrophobicContact CE1-CD 3.54Å; F3-K165 HydrophobicContact CE1-CG 4.42Å; F3-K165 HydrophobicContact CE2-CD 3.76Å; F3-K165 HydrophobicContact CG-CD 3.31Å; F3-K165 HydrophobicContact CZ-CD 3.73Å; Y22-K165 HydrophobicContact CE2-CB 3.95Å; T161-K165 HydrophobicContact CG2-CD 4.17Å; T161-K165 WeakPolarHBondContact O-CB 3.17Å; T161-K165 WeakPolarHBondContact O-CG 3.25Å; T161-K165 PolarHBondContact O-N 3.15Å; G162-K165 PolarHBondContact O-N 2.77Å; F163-K165 VanDerWaalsContact C-N 3.28Å; F163-K165 PolarHBondContact O-N 3.19Å; K165-K169 VanDerWaalsContact O-CB 3.28Å; K165-K169 WeakPolarHBondContact O-CB 3.47Å; K165-K169 PolarHBondContact O-N 3.22Å
166	I	90.9	Very high	89.1	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-72.1	-38	-179.3	-162.7	62.7	0	0	0	111	I20 Y22 L25 K26 I29 F57 G162 F163 K169 H170	I20-I166 HydrophobicContact CD1-CG2 4.09Å; Y22-I166 HydrophobicContact CD2-CB 3.99Å; Y22-I166 HydrophobicContact CD2-CD1 4.16Å; Y22-I166 HydrophobicContact CD2-CG1 4.47Å; Y22-I166 HydrophobicContact CE2-CB 3.79Å; Y22-I166 HydrophobicContact CE2-CD1 3.91Å; Y22-I166 HydrophobicContact CE2-CG1 4.38Å; L25-I166 HydrophobicContact CB-CD1 3.81Å; L25-I166 HydrophobicContact CB-CG1 3.55Å; L25-I166 HydrophobicContact CD1-CG1 4.09Å; L25-I166 HydrophobicContact CD1-CG2 4.2Å; L25-I166 HydrophobicContact CG-CG1 4.46Å; K26-I166 HydrophobicContact CB-CD1 3.97Å; I29-I166 HydrophobicContact CD1-CD1 3.74Å; I29-I166 HydrophobicContact CD1-CG1 4.11Å; F57-I166 HydrophobicContact CE2-CG1 4.34Å; F57-I166 HydrophobicContact CZ-CG1 4.18Å; G162-I166 WeakPolarHBondContact O-CG2 3.12Å; G162-I166 PolarHBondContact O-N 2.76Å; F163-I166 WeakPolarHBondContact O-CG2 3.38Å; F163-I166 PolarHBondContact O-N 2.82Å; I166-K169 WeakPolarHBondContact O-CB 3.4Å; I166-K169 PolarHBondContact O-N 3.31Å; I166-H170 PolarHBondContact O-N 2.88Å
167	L	94.8	Very high	89.2	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-71.4	-41.4	176.1	-63.5	167.9	0	0	0	111.5	F57 F58 F163 K169 H170 D171 W182 R183 V187	F57-L167 HydrophobicContact CE1-CD2 4.06Å; F58-L167 HydrophobicContact CD1-CD2 4.45Å; F58-L167 HydrophobicContact CE1-CD2 3.92Å; F163-L167 HydrophobicContact CB-CD1 4.39Å; F163-L167 VanDerWaalsContact O-CB 3.29Å; F163-L167 WeakPolarHBondContact O-CB 3.37Å; F163-L167 WeakPolarHBondContact O-CD1 3.41Å; F163-L167 WeakPolarHBondContact O-CG 3.25Å; F163-L167 PolarHBondContact O-N 3.4Å; L167-K169 PolarHBondContact O-N 2.97Å; L167-H170 WeakPolarHBondContact O-CB 3.38Å; L167-H170 PolarHBondContact O-N 3.39Å; L167-D171 PolarHBondContact O-N 2.86Å; L167-D171 VanDerWaalsContact O-N 3.09Å; L167-W182 HydrophobicContact CD1-CE3 3.72Å; L167-W182 HydrophobicContact CD1-CZ3 4.05Å; L167-W182 HydrophobicContact CD2-CE3 3.89Å; L167-W182 HydrophobicContact CD2-CZ3 4.46Å; L167-W182 HydrophobicContact CG-CE3 4.48Å; L167-R183 HydrophobicContact CD1-CB 3.54Å; L167-R183 HydrophobicContact CD1-CG 3.75Å; L167-V187 HydrophobicContact CD1-CG2 4.14Å
168	K	92.1	Very high	89.6	Confident	102 Å²	102	41 Å²	41	44%	0.443	21%	0.205	S	C	.	.	H	α-helix	trans	-60.2	-33.9	170.1	-174.2	177.4	-178.8	-177.9	0	111.9	R164 K172 D679	R164-K168 VanDerWaalsContact O-CB 3.22Å; R164-K168 WeakPolarHBondContact O-CB 3.49Å; R164-K168 PolarHBondContact O-N 3.49Å; K168-K172 WeakPolarHBondContact O-CB 3.05Å; K168-K172 PolarHBondContact O-N 2.84Å; K168-D679 IonicContact NZ-OD1 3.52Å
169	K	89.1	Confident	90	Very high	35 Å²	35	40.6 Å²	40.6	15%	0.152	20%	0.203	C	C	.	.	H	α-helix	trans	-70.8	-41.2	176.6	176.2	173.2	-66.3	-61.7	0	111.8	Y22 K26 I29 K165 I166 L167 K172 V173	Y22-K169 WeakPolarHBondContact OH-CE 2.99Å; K26-K169 HydrophobicContact CD-CD 4.48Å; K26-K169 HydrophobicContact CG-CD 4Å; I29-K169 HydrophobicContact CD1-CB 4.35Å; I29-K169 HydrophobicContact CD1-CD 4.36Å; I29-K169 HydrophobicContact CD1-CG 4.06Å; K165-K169 VanDerWaalsContact O-CB 3.28Å; K165-K169 WeakPolarHBondContact O-CB 3.47Å; K165-K169 PolarHBondContact O-N 3.22Å; I166-K169 WeakPolarHBondContact O-CB 3.4Å; I166-K169 PolarHBondContact O-N 3.31Å; L167-K169 PolarHBondContact O-N 2.97Å; K169-K172 PolarHBondContact O-N 2.92Å; K169-V173 HydrophobicContact CG-CG2 4.03Å; K169-V173 WeakPolarHBondContact O-CB 3.17Å; K169-V173 VanDerWaalsContact O-CG2 3.25Å; K169-V173 WeakPolarHBondContact O-CG2 3.25Å; K169-V173 PolarHBondContact O-N 3.19Å
170	H	92.1	Very high	90.1	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-53.9	-55.2	173.1	170.8	-80.5	0	0	0	110.1	I29 D54 F57 F58 I166 L167 K172 V173 L174 N176	I29-H170 HydrophobicContact CD1-CB 4.01Å; I29-H170 HydrophobicContact CG1-CB 4.41Å; D54-H170 IonicContact OD1-NE2 3.01Å; F57-H170 AromaticContact CD1-CD2 3.38Å; F57-H170 WeakPolarHBondContact CD1-CD2 3.22Å; F57-H170 AromaticContact CD1-NE2 3.88Å; F57-H170 HydrophobicContact CE1-CB 3.92Å; F57-H170 AromaticContact CE1-CD2 3.41Å; F57-H170 VanDerWaalsContact CE1-CD2 3.41Å; F57-H170 WeakPolarHBondContact CE1-CD2 3.48Å; F57-H170 AromaticContact CE1-CG 3.84Å; F57-H170 HydrophobicContact CZ-CB 4.07Å; F58-H170 AromaticContact CE2-NE2 3.91Å; F58-H170 AromaticContact CZ-CE1 3.65Å; F58-H170 AromaticContact CZ-NE2 3.77Å; I166-H170 PolarHBondContact O-N 2.88Å; L167-H170 WeakPolarHBondContact O-CB 3.38Å; L167-H170 PolarHBondContact O-N 3.39Å; H170-K172 VanDerWaalsContact C-N 3.35Å; H170-K172 PolarHBondContact O-N 3.29Å; H170-V173 PolarHBondContact O-N 3.39Å; H170-L174 WeakPolarHBondContact O-CB 3.36Å; H170-L174 PolarHBondContact O-N 3.26Å; H170-N176 PolarHBondContact CE1-ND2 2.86Å; H170-N176 PolarHBondContact CE1-OD1 2.66Å; H170-N176 VanDerWaalsContact CE1-OD1 3.22Å; H170-N176 PolarHBondContact ND1-OD1 2.81Å
171	D	92.1	Very high	90.3	Very high	23 Å²	23	46.7 Å²	46.7	12%	0.123	23%	0.23	C	C	.	.	H	α-helix	trans	-58.1	-44.2	179.7	-69.5	-1.8	0	0	0	112.7	L167 Q175 N176 G179 N180	L167-D171 PolarHBondContact O-N 2.86Å; L167-D171 VanDerWaalsContact O-N 3.09Å; D171-Q175 WeakPolarHBondContact O-CA 3.44Å; D171-Q175 PolarHBondContact O-N 3.27Å; D171-N176 VanDerWaalsContact CA-O 3.23Å; D171-N176 WeakPolarHBondContact CA-O 3.29Å; D171-N176 WeakPolarHBondContact CB-O 3.17Å; D171-N176 VanDerWaalsContact CG-O 3.24Å; D171-N176 PolarHBondContact O-N 3.09Å; D171-N176 PolarHBondContact OD1-OD1 2.94Å; D171-G179 WeakPolarHBondContact OD1-CA 3.39Å; D171-G179 PolarHBondContact OD1-N 2.87Å; D171-N180 WeakPolarHBondContact OD2-CB 3.28Å; D171-N180 PolarHBondContact OD2-N 3.34Å
172	K	90.8	Very high	90.8	Very high	145 Å²	145	46.9 Å²	46.9	63%	0.63	23%	0.228	S	C	*	.	H	α-helix	trans	-68.2	-38	179.8	-174.6	171.6	-178.3	172.5	0	113.1	K168 K169 H170	K168-K172 WeakPolarHBondContact O-CB 3.05Å; K168-K172 PolarHBondContact O-N 2.84Å; K169-K172 PolarHBondContact O-N 2.92Å; H170-K172 VanDerWaalsContact C-N 3.35Å; H170-K172 PolarHBondContact O-N 3.29Å
173	V	87.7	Confident	91.1	Very high	29 Å²	29	48.9 Å²	48.9	18%	0.176	24%	0.235	C	C	.	.	H	α-helix	trans	-83.5	-40.2	-175	175	0	0	0	0	111.5	I29 Y30 L33 K169 H170	I29-V173 HydrophobicContact CG2-CB 3.75Å; I29-V173 HydrophobicContact CG2-CG1 3.78Å; I29-V173 HydrophobicContact CG2-CG2 4.18Å; Y30-V173 HydrophobicContact CE1-CG2 4.47Å; L33-V173 HydrophobicContact CB-CG1 4.49Å; L33-V173 HydrophobicContact CD2-CG1 3.95Å; K169-V173 HydrophobicContact CG-CG2 4.03Å; K169-V173 WeakPolarHBondContact O-CB 3.17Å; K169-V173 VanDerWaalsContact O-CG2 3.25Å; K169-V173 WeakPolarHBondContact O-CG2 3.25Å; K169-V173 PolarHBondContact O-N 3.19Å; H170-V173 PolarHBondContact O-N 3.39Å
174	L	87.2	Confident	91	Very high	27 Å²	27	53.4 Å²	53.4	14%	0.141	26%	0.256	C	S	.	.	H	α-helix	trans	-93.2	-0	-179.7	-56.8	-178.9	0	0	0	113	I32 D54 H170 N176	I32-L174 HydrophobicContact CB-CD2 4.43Å; I32-L174 HydrophobicContact CG2-CD1 4.28Å; I32-L174 HydrophobicContact CG2-CD2 3.93Å; D54-L174 WeakPolarHBondContact OD1-CD1 3.32Å; H170-L174 WeakPolarHBondContact O-CB 3.36Å; H170-L174 PolarHBondContact O-N 3.26Å; L174-N176 PolarHBondContact O-N 3.25Å
175	Q	86	Confident	91.2	Very high	179 Å²	179	55.9 Å²	55.9	84%	0.836	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	44.8	176.6	-56.3	-177.3	3.2	0	0	113.4	D171	D171-Q175 WeakPolarHBondContact O-CA 3.44Å; D171-Q175 PolarHBondContact O-N 3.27Å
176	N	86.6	Confident	91.5	Very high	46 Å²	46	57.7 Å²	57.7	25%	0.246	28%	0.282	C	S	.	.			trans	-132.3	175.7	178	64.9	21	0	0	0	112	D54 H170 D171 L174	D54-N176 PolarHBondContact OD2-ND2 3.27Å; H170-N176 PolarHBondContact CE1-ND2 2.86Å; H170-N176 PolarHBondContact CE1-OD1 2.66Å; H170-N176 VanDerWaalsContact CE1-OD1 3.22Å; H170-N176 PolarHBondContact ND1-OD1 2.81Å; D171-N176 VanDerWaalsContact CA-O 3.23Å; D171-N176 WeakPolarHBondContact CA-O 3.29Å; D171-N176 WeakPolarHBondContact CB-O 3.17Å; D171-N176 VanDerWaalsContact CG-O 3.24Å; D171-N176 PolarHBondContact O-N 3.09Å; D171-N176 PolarHBondContact OD1-OD1 2.94Å; L174-N176 PolarHBondContact O-N 3.25Å
177	T	90.7	Very high	91.6	Very high	92 Å²	92	57.8 Å²	57.8	56%	0.564	28%	0.283	S	S	*	.	S	Bend	trans	-108.7	-0.3	178.5	54.4	0	0	0	0	113.7	G179 N180 E181	T177-G179 VanDerWaalsContact C-N 3.27Å; T177-G179 PolarHBondContact O-N 3.19Å; T177-N180 PolarHBondContact O-N 3.48Å; T177-E181 PolarHBondContact O-N 3.23Å; T177-E181 VanDerWaalsContact O-N 3.13Å; T177-E181 PolarHBondContact OG1-OE1 2.86Å
178	A	91.4	Very high	91.5	Very high	29 Å²	29	60.8 Å²	60.8	24%	0.24	30%	0.297	C	S	.	.	H	α-helix	trans	-62.2	-32.5	-170.9	0	0	0	0	0	112.8	F58 W182	F58-A178 HydrophobicContact CE2-CB 4.16Å; F58-A178 HydrophobicContact CZ-CB 4.03Å; A178-W182 VanDerWaalsContact O-CB 3.27Å; A178-W182 WeakPolarHBondContact O-CB 3.44Å; A178-W182 PolarHBondContact O-N 2.95Å
179	G	91.6	Very high	91.4	Very high	0 Å²	0	60 Å²	60	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-66.7	-43.4	177.1	0	0	0	0	0	112.5	D171 T177 R183	D171-G179 WeakPolarHBondContact OD1-CA 3.39Å; D171-G179 PolarHBondContact OD1-N 2.87Å; T177-G179 VanDerWaalsContact C-N 3.27Å; T177-G179 PolarHBondContact O-N 3.19Å; G179-R183 WeakPolarHBondContact O-CB 3.39Å; G179-R183 PolarHBondContact O-N 3.28Å
180	N	92.6	Very high	91.6	Very high	54 Å²	54	58.6 Å²	58.6	29%	0.289	30%	0.297	S	S	.	.	H	α-helix	trans	-65.1	-43.1	174.7	-174.3	70.7	0	0	0	112.1	D171 T177 R183 Q184	D171-N180 WeakPolarHBondContact OD2-CB 3.28Å; D171-N180 PolarHBondContact OD2-N 3.34Å; T177-N180 PolarHBondContact O-N 3.48Å; N180-R183 WeakPolarHBondContact O-CB 3.39Å; N180-R183 PolarHBondContact O-N 3.22Å; N180-R183 PolarHBondContact OD1-NH1 3.04Å; N180-R183 PolarHBondContact OD1-NH2 3.12Å; N180-Q184 WeakPolarHBondContact O-CG 2.94Å; N180-Q184 PolarHBondContact O-N 2.99Å; N180-Q184 VanDerWaalsContact O-N 3.08Å
181	E	93.9	Very high	91.5	Very high	93 Å²	93	62.5 Å²	62.5	44%	0.435	32%	0.323	S	S	.	.	H	α-helix	trans	-60.3	-47.4	175.2	-69.9	166.3	-149.9	0	0	111.2	T177 R183 Q184 Q185	T177-E181 PolarHBondContact O-N 3.23Å; T177-E181 VanDerWaalsContact O-N 3.13Å; T177-E181 PolarHBondContact OG1-OE1 2.86Å; E181-R183 VanDerWaalsContact C-N 3.3Å; E181-R183 PolarHBondContact O-N 2.97Å; E181-Q184 PolarHBondContact O-N 3.32Å; E181-Q185 VanDerWaalsContact O-CG 3.31Å; E181-Q185 WeakPolarHBondContact O-CG 3.09Å; E181-Q185 PolarHBondContact O-N 3.47Å
182	W	95	Very high	91.5	Very high	29 Å²	29	61.4 Å²	61.4	11%	0.11	32%	0.317	C	S	.	.	H	α-helix	trans	-62	-37.9	176.6	-169	94.3	0	0	0	112	F58 C61 A62 L65 F163 L167 A178 Q185 N186 V187	F58-W182 HydrophobicContact CD1-CB 3.84Å; F58-W182 AromaticContact CD1-CD1 3.48Å; F58-W182 VanDerWaalsContact CD1-CD1 3.48Å; F58-W182 AromaticContact CD1-CD2 3.73Å; F58-W182 HydrophobicContact CD1-CD2 3.73Å; F58-W182 HydrophobicContact CD1-CE3 4.45Å; F58-W182 AromaticContact CD1-CG 3.39Å; F58-W182 HydrophobicContact CD1-CG 3.39Å; F58-W182 AromaticContact CD1-NE1 3.86Å; F58-W182 HydrophobicContact CE1-CB 3.53Å; F58-W182 HydrophobicContact CE1-CD2 4.21Å; F58-W182 AromaticContact CE1-CG 3.65Å; F58-W182 HydrophobicContact CE1-CG 3.65Å; F58-W182 AromaticContact CG-CD1 3.83Å; F58-W182 HydrophobicContact CG-CG 4.2Å; F58-W182 HydrophobicContact CZ-CB 4.23Å; C61-W182 HydrophobicContact CB-CH2 3.59Å; C61-W182 HydrophobicContact CB-CZ2 3.95Å; C61-W182 HydrophobicContact CB-CZ3 3.9Å; A62-W182 HydrophobicContact CB-CZ2 4.12Å; L65-W182 HydrophobicContact CB-CH2 4.41Å; L65-W182 HydrophobicContact CD2-CH2 3.89Å; F163-W182 HydrophobicContact CD1-CZ3 4.4Å; F163-W182 HydrophobicContact CE1-CZ3 4.48Å; L167-W182 HydrophobicContact CD1-CE3 3.72Å; L167-W182 HydrophobicContact CD1-CZ3 4.05Å; L167-W182 HydrophobicContact CD2-CE3 3.89Å; L167-W182 HydrophobicContact CD2-CZ3 4.46Å; L167-W182 HydrophobicContact CG-CE3 4.48Å; A178-W182 VanDerWaalsContact O-CB 3.27Å; A178-W182 WeakPolarHBondContact O-CB 3.44Å; A178-W182 PolarHBondContact O-N 2.95Å; W182-Q185 PolarHBondContact O-N 3.44Å; W182-N186 HydrophobicContact CD2-CB 4.03Å; W182-N186 HydrophobicContact CE3-CB 4.13Å; W182-N186 HydrophobicContact CH2-CB 3.94Å; W182-N186 HydrophobicContact CZ2-CB 3.82Å; W182-N186 HydrophobicContact CZ3-CB 4.11Å; W182-N186 PolarHBondContact NE1-ND2 3.13Å; W182-N186 VanDerWaalsContact O-CB 3.32Å; W182-N186 WeakPolarHBondContact O-CB 3.47Å; W182-N186 PolarHBondContact O-N 3.46Å; W182-N186 PolarHBondContact O-ND2 2.95Å; W182-V187 HydrophobicContact CE3-CG2 4.07Å; W182-V187 HydrophobicContact CH2-CG2 4.35Å; W182-V187 HydrophobicContact CZ3-CG2 3.48Å; W182-V187 VanDerWaalsContact CZ3-CG2 3.48Å
183	R	94.8	Very high	91.5	Very high	42 Å²	42	58.8 Å²	58.8	16%	0.158	31%	0.306	C	S	.	.	I	π-helix	trans	-59.3	-49.8	176.1	-165.6	-178.3	74	-123.1	-7.6	111.3	L167 G179 N180 E181 Q185 V187 E188	L167-R183 HydrophobicContact CD1-CB 3.54Å; L167-R183 HydrophobicContact CD1-CG 3.75Å; G179-R183 WeakPolarHBondContact O-CB 3.39Å; G179-R183 PolarHBondContact O-N 3.28Å; N180-R183 WeakPolarHBondContact O-CB 3.39Å; N180-R183 PolarHBondContact O-N 3.22Å; N180-R183 PolarHBondContact OD1-NH1 3.04Å; N180-R183 PolarHBondContact OD1-NH2 3.12Å; E181-R183 VanDerWaalsContact C-N 3.3Å; E181-R183 PolarHBondContact O-N 2.97Å; R183-Q185 VanDerWaalsContact C-N 3.35Å; R183-V187 HydrophobicContact CG-CB 3.95Å; R183-V187 HydrophobicContact CG-CG2 4.22Å; R183-V187 WeakPolarHBondContact O-CA 3.29Å; R183-V187 WeakPolarHBondContact O-CB 3.43Å; R183-V187 PolarHBondContact O-N 3.29Å; R183-E188 HydrophobicContact CG-CG 4.46Å; R183-E188 IonicContact CZ-OE1 3.61Å; R183-E188 IonicContact NE-OE1 3.88Å; R183-E188 PolarHBondContact NE-OE1 3.21Å; R183-E188 IonicContact NH2-OE1 2.69Å; R183-E188 PolarHBondContact NH2-OE1 2.84Å; R183-E188 VanDerWaalsContact NH2-OE1 3.12Å; R183-E188 PolarHBondContact O-N 3.15Å
184	Q	93.1	Very high	91.6	Very high	95 Å²	95	62.6 Å²	62.6	44%	0.444	33%	0.325	S	S	.	.	I	π-helix	trans	-62.7	-44.4	-179.1	-71.4	177.7	-8.2	0	0	110.8	N180 E181 C189	N180-Q184 WeakPolarHBondContact O-CG 2.94Å; N180-Q184 PolarHBondContact O-N 2.99Å; N180-Q184 VanDerWaalsContact O-N 3.08Å; E181-Q184 PolarHBondContact O-N 3.32Å; Q184-C189 PolarHBondContact O-SG 3.49Å
185	Q	94	Very high	91.7	Very high	134 Å²	134	63.6 Å²	63.6	63%	0.626	33%	0.33	S	S	*	.	I	π-helix	trans	-72.6	-32.7	-177.2	-67.6	172.4	12.2	0	0	113.9	E181 W182 R183	E181-Q185 VanDerWaalsContact O-CG 3.31Å; E181-Q185 WeakPolarHBondContact O-CG 3.09Å; E181-Q185 PolarHBondContact O-N 3.47Å; W182-Q185 PolarHBondContact O-N 3.44Å; R183-Q185 VanDerWaalsContact C-N 3.35Å
186	N	94.4	Very high	91.9	Very high	58 Å²	58	62.8 Å²	62.8	31%	0.31	32%	0.324	S	S	.	.	I	π-helix	trans	-114.9	-46.1	-170	-63	-91	0	0	0	113.5	L65 W182 S190	L65-N186 HydrophobicContact CD2-CB 3.95Å; W182-N186 HydrophobicContact CD2-CB 4.03Å; W182-N186 HydrophobicContact CE3-CB 4.13Å; W182-N186 HydrophobicContact CH2-CB 3.94Å; W182-N186 HydrophobicContact CZ2-CB 3.82Å; W182-N186 HydrophobicContact CZ3-CB 4.11Å; W182-N186 PolarHBondContact NE1-ND2 3.13Å; W182-N186 VanDerWaalsContact O-CB 3.32Å; W182-N186 WeakPolarHBondContact O-CB 3.47Å; W182-N186 PolarHBondContact O-N 3.46Å; W182-N186 PolarHBondContact O-ND2 2.95Å; N186-S190 VanDerWaalsContact O-CB 3.3Å; N186-S190 WeakPolarHBondContact O-CB 3.44Å; N186-S190 PolarHBondContact O-N 3.42Å
187	V	93.1	Very high	92.1	Very high	2 Å²	2	62.7 Å²	62.7	1%	0.012	32%	0.322	C	S	.	.	I	π-helix	trans	-83.1	-50.2	-174	-177.1	0	0	0	0	110.5	L65 F163 L167 W182 R183 C189 S190 F192 F193	L65-V187 HydrophobicContact CD2-CG2 4.46Å; F163-V187 HydrophobicContact CB-CG1 3.91Å; F163-V187 HydrophobicContact CB-CG2 4.01Å; F163-V187 HydrophobicContact CD1-CG2 4.04Å; F163-V187 HydrophobicContact CD2-CG1 4.19Å; F163-V187 HydrophobicContact CD2-CG2 4.43Å; F163-V187 HydrophobicContact CG-CG1 4.18Å; F163-V187 HydrophobicContact CG-CG2 3.91Å; L167-V187 HydrophobicContact CD1-CG2 4.14Å; W182-V187 HydrophobicContact CE3-CG2 4.07Å; W182-V187 HydrophobicContact CH2-CG2 4.35Å; W182-V187 HydrophobicContact CZ3-CG2 3.48Å; W182-V187 VanDerWaalsContact CZ3-CG2 3.48Å; R183-V187 HydrophobicContact CG-CB 3.95Å; R183-V187 HydrophobicContact CG-CG2 4.22Å; R183-V187 WeakPolarHBondContact O-CA 3.29Å; R183-V187 WeakPolarHBondContact O-CB 3.43Å; R183-V187 PolarHBondContact O-N 3.29Å; V187-C189 VanDerWaalsContact C-N 3.26Å; V187-C189 PolarHBondContact O-N 2.62Å; V187-S190 WeakPolarHBondContact O-CB 3.33Å; V187-S190 PolarHBondContact O-N 3.23Å; V187-S190 PolarHBondContact O-OG 2.79Å; V187-F192 HydrophobicContact CG1-CE1 4.21Å; V187-F192 HydrophobicContact CG1-CZ 4.12Å; V187-F193 VanDerWaalsContact O-CB 3.25Å; V187-F193 WeakPolarHBondContact O-CB 3.49Å
188	E	92.7	Very high	92	Very high	62 Å²	62	58.3 Å²	58.3	29%	0.29	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-26.1	-178.2	-65.1	175.3	-162.3	0	0	111.8	R183 F193 L194	R183-E188 HydrophobicContact CG-CG 4.46Å; R183-E188 IonicContact CZ-OE1 3.61Å; R183-E188 IonicContact NE-OE1 3.88Å; R183-E188 PolarHBondContact NE-OE1 3.21Å; R183-E188 IonicContact NH2-OE1 2.69Å; R183-E188 PolarHBondContact NH2-OE1 2.84Å; R183-E188 VanDerWaalsContact NH2-OE1 3.12Å; R183-E188 PolarHBondContact O-N 3.15Å; E188-F193 HydrophobicContact CB-CD1 4.43Å; E188-F193 HydrophobicContact CB-CE1 4.35Å; E188-F193 HydrophobicContact CG-CE1 4.26Å; E188-F193 HydrophobicContact CG-CZ 4.32Å; E188-L194 VanDerWaalsContact O-CD2 3.3Å; E188-L194 WeakPolarHBondContact O-CD2 3.46Å; E188-L194 WeakPolarHBondContact O-CG 3.35Å
189	C	91.4	Very high	92	Very high	86 Å²	86	59.8 Å²	59.8	58%	0.581	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-0.9	171.3	-61.8	0	0	0	0	114.3	Q184 V187	Q184-C189 PolarHBondContact O-SG 3.49Å; V187-C189 VanDerWaalsContact C-N 3.26Å; V187-C189 PolarHBondContact O-N 2.62Å
190	S	92.7	Very high	92	Very high	5 Å²	5	66.5 Å²	66.5	4%	0.035	32%	0.324	C	S	.	.	S	Bend	trans	-79.5	151	-175.2	68.5	0	0	0	0	112.9	N186 V187 F192 F193 L194	N186-S190 VanDerWaalsContact O-CB 3.3Å; N186-S190 WeakPolarHBondContact O-CB 3.44Å; N186-S190 PolarHBondContact O-N 3.42Å; V187-S190 WeakPolarHBondContact O-CB 3.33Å; V187-S190 PolarHBondContact O-N 3.23Å; V187-S190 PolarHBondContact O-OG 2.79Å; S190-F192 PolarHBondContact O-N 3.28Å; S190-F192 WeakPolarHBondContact OG-CD1 3.41Å; S190-F192 WeakPolarHBondContact OG-CE1 3.23Å; S190-F193 PolarHBondContact O-N 3.46Å; S190-F193 VanDerWaalsContact O-N 3.11Å; S190-L194 PolarHBondContact O-N 2.96Å; S190-L194 VanDerWaalsContact O-N 3.14Å
191	P	90.4	Very high	92	Very high	83 Å²	83	64.1 Å²	64.1	54%	0.539	31%	0.311	S	S	.	.	H	α-helix	trans	-54.7	-46	177.6	-27.6	34.5	0	0	0	113.4	N69 F193 L194 D195	N69-P191 WeakPolarHBondContact OD1-CD 3.25Å; P191-F193 PolarHBondContact O-N 2.92Å; P191-F193 VanDerWaalsContact O-N 3.17Å; P191-L194 PolarHBondContact O-N 3.05Å; P191-D195 WeakPolarHBondContact O-CB 3.46Å; P191-D195 PolarHBondContact O-N 3.27Å
192	F	92	Very high	91.7	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-63.3	-26.1	-178	94	-82.4	0	0	0	112.8	L65 I68 N69 Y72 Q156 N159 A160 F163 V187 S190	L65-F192 HydrophobicContact CD1-CD1 3.97Å; L65-F192 HydrophobicContact CD1-CE1 3.47Å; L65-F192 VanDerWaalsContact CD1-CE1 3.47Å; I68-F192 HydrophobicContact CG2-CD1 4.1Å; I68-F192 HydrophobicContact CG2-CD2 4.01Å; I68-F192 HydrophobicContact CG2-CE1 4.38Å; I68-F192 HydrophobicContact CG2-CE2 4.29Å; I68-F192 HydrophobicContact CG2-CG 3.93Å; I68-F192 HydrophobicContact CG2-CZ 4.47Å; N69-F192 WeakPolarHBondContact OD1-CB 3.42Å; N69-F192 WeakPolarHBondContact OD1-CD1 3.46Å; N69-F192 PolarHBondContact OD1-N 2.98Å; Y72-F192 HydrophobicContact CD1-CB 3.76Å; Y72-F192 HydrophobicContact CD2-CB 4.44Å; Y72-F192 HydrophobicContact CE1-CB 4.4Å; Y72-F192 HydrophobicContact CG-CB 3.78Å; Q156-F192 HydrophobicContact CG-CD2 4.17Å; Q156-F192 WeakPolarHBondContact CG-O 3.29Å; Q156-F192 PolarHBondContact NE2-O 3.15Å; N159-F192 HydrophobicContact CB-CE2 4Å; A160-F192 HydrophobicContact CB-CE2 4.2Å; F163-F192 HydrophobicContact CD2-CZ 4.19Å; F163-F192 HydrophobicContact CE2-CZ 4.49Å; V187-F192 HydrophobicContact CG1-CE1 4.21Å; V187-F192 HydrophobicContact CG1-CZ 4.12Å; S190-F192 PolarHBondContact O-N 3.28Å; S190-F192 WeakPolarHBondContact OG-CD1 3.41Å; S190-F192 WeakPolarHBondContact OG-CE1 3.23Å
193	F	90	Very high	91.5	Very high	90 Å²	90	65.1 Å²	65.1	40%	0.395	32%	0.318	S	S	.	.	H	α-helix	trans	-85.2	-38.2	-179.7	-171.2	-88.8	0	0	0	112.4	A160 V187 E188 S190 P191	A160-F193 HydrophobicContact CB-CD2 3.82Å; A160-F193 HydrophobicContact CB-CE2 3.91Å; V187-F193 VanDerWaalsContact O-CB 3.25Å; V187-F193 WeakPolarHBondContact O-CB 3.49Å; E188-F193 HydrophobicContact CB-CD1 4.43Å; E188-F193 HydrophobicContact CB-CE1 4.35Å; E188-F193 HydrophobicContact CG-CE1 4.26Å; E188-F193 HydrophobicContact CG-CZ 4.32Å; S190-F193 PolarHBondContact O-N 3.46Å; S190-F193 VanDerWaalsContact O-N 3.11Å; P191-F193 PolarHBondContact O-N 2.92Å; P191-F193 VanDerWaalsContact O-N 3.17Å
194	L	90.5	Very high	91.4	Very high	108 Å²	108	66.2 Å²	66.2	57%	0.565	33%	0.327	S	S	*	.	H	α-helix	trans	-84.4	-23.8	-175.7	-67.5	175.5	0	0	0	113.9	E188 S190 P191 K196	E188-L194 VanDerWaalsContact O-CD2 3.3Å; E188-L194 WeakPolarHBondContact O-CD2 3.46Å; E188-L194 WeakPolarHBondContact O-CG 3.35Å; S190-L194 PolarHBondContact O-N 2.96Å; S190-L194 VanDerWaalsContact O-N 3.14Å; P191-L194 PolarHBondContact O-N 3.05Å; L194-K196 PolarHBondContact O-N 3.41Å
195	D	88.5	Confident	91.2	Very high	48 Å²	48	61.7 Å²	61.7	26%	0.257	31%	0.305	S	S	.	.			trans	-71.3	120.1	-174.3	-165.9	-23.7	0	0	0	112.1	Y72 L76 Q156 P191 E197	Y72-D195 HydrophobicContact CE1-CB 3.86Å; L76-D195 WeakPolarHBondContact CD2-OD2 3.5Å; Q156-D195 PolarHBondContact NE2-O 3.26Å; P191-D195 WeakPolarHBondContact O-CB 3.46Å; P191-D195 PolarHBondContact O-N 3.27Å; D195-E197 WeakPolarHBondContact OD1-CB 3.25Å; D195-E197 PolarHBondContact OD1-N 3.33Å
196	K	90.4	Very high	90.9	Very high	162 Å²	162	57 Å²	57	70%	0.704	28%	0.284	S	S	*	.			trans	-106.2	5.3	178.4	-60.6	-173.2	179.6	-177	0	113.3	L194 I198 D199 R200	L194-K196 PolarHBondContact O-N 3.41Å; K196-I198 PolarHBondContact O-N 3Å; K196-D199 PolarHBondContact O-N 3.36Å; K196-R200 PolarHBondContact O-N 3.12Å
197	E	90.8	Very high	90.7	Very high	44 Å²	44	60 Å²	60	21%	0.206	30%	0.295	C	S	.	.	H	α-helix	trans	-63.7	-28.3	-178.7	-177.4	67.4	177.5	0	0	111.6	L76 Q80 D195 R200 L201	L76-E197 HydrophobicContact CD1-CB 4.26Å; L76-E197 HydrophobicContact CD1-CG 4.2Å; L76-E197 HydrophobicContact CD2-CB 4.16Å; L76-E197 HydrophobicContact CD2-CG 4.43Å; Q80-E197 PolarHBondContact NE2-OE1 3.07Å; D195-E197 WeakPolarHBondContact OD1-CB 3.25Å; D195-E197 PolarHBondContact OD1-N 3.33Å; E197-R200 WeakPolarHBondContact O-CB 3.22Å; E197-R200 PolarHBondContact O-N 2.94Å; E197-R200 IonicContact OE1-NH1 3.51Å; E197-R200 VanDerWaalsContact OE2-CD 3.29Å; E197-R200 WeakPolarHBondContact OE2-CD 3.31Å; E197-R200 IonicContact OE2-NH1 2.91Å; E197-R200 PolarHBondContact OE2-NH1 3.46Å; E197-L201 HydrophobicContact CG-CD1 4.46Å; E197-L201 WeakPolarHBondContact O-CG 3.45Å; E197-L201 PolarHBondContact O-N 3Å
198	I	89.6	Confident	90.5	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-62.2	-44.1	174.6	-169.4	161.3	0	0	0	112.7	Y72 L76 L152 Q153 K196 R200 L201 I202	Y72-I198 HydrophobicContact CE2-CD1 4.47Å; L76-I198 HydrophobicContact CD1-CB 4.32Å; L152-I198 HydrophobicContact CB-CD1 3.55Å; L152-I198 HydrophobicContact CD2-CD1 3.78Å; L152-I198 HydrophobicContact CG-CD1 3.5Å; L152-I198 VanDerWaalsContact CG-CD1 3.5Å; Q153-I198 HydrophobicContact CB-CD1 3.93Å; Q153-I198 HydrophobicContact CB-CG1 4.4Å; K196-I198 PolarHBondContact O-N 3Å; I198-R200 VanDerWaalsContact C-N 3.29Å; I198-R200 PolarHBondContact O-N 2.91Å; I198-L201 PolarHBondContact O-N 3.42Å; I198-I202 HydrophobicContact CG1-CD1 4.28Å; I198-I202 VanDerWaalsContact O-CG1 3.29Å; I198-I202 WeakPolarHBondContact O-CG1 3.37Å; I198-I202 PolarHBondContact O-N 2.97Å
199	D	89.7	Confident	90.1	Very high	60 Å²	60	57.6 Å²	57.6	32%	0.321	29%	0.286	S	S	.	.	H	α-helix	trans	-64.7	-39.7	177.8	-62.5	-41.6	0	0	0	109.9	Q153 K196 I202 E203	Q153-D199 PolarHBondContact NE2-OD1 3.16Å; K196-D199 PolarHBondContact O-N 3.36Å; D199-I202 WeakPolarHBondContact O-CB 3.43Å; D199-I202 PolarHBondContact O-N 3.29Å; D199-E203 WeakPolarHBondContact O-CG 3.33Å; D199-E203 PolarHBondContact O-N 2.85Å
200	R	92.7	Very high	89.8	Confident	141 Å²	141	54.1 Å²	54.1	53%	0.532	26%	0.262	S	S	.	.	H	α-helix	trans	-62.5	-44.2	174.1	-172.1	-168.6	179.2	-163.4	0	112.5	K196 E197 I198 I202 E203 L204	K196-R200 PolarHBondContact O-N 3.12Å; E197-R200 WeakPolarHBondContact O-CB 3.22Å; E197-R200 PolarHBondContact O-N 2.94Å; E197-R200 IonicContact OE1-NH1 3.51Å; E197-R200 VanDerWaalsContact OE2-CD 3.29Å; E197-R200 WeakPolarHBondContact OE2-CD 3.31Å; E197-R200 IonicContact OE2-NH1 2.91Å; E197-R200 PolarHBondContact OE2-NH1 3.46Å; I198-R200 VanDerWaalsContact C-N 3.29Å; I198-R200 PolarHBondContact O-N 2.91Å; R200-I202 VanDerWaalsContact C-N 3.3Å; R200-I202 PolarHBondContact O-N 3.47Å; R200-E203 PolarHBondContact O-N 3.32Å; R200-L204 HydrophobicContact CG-CD1 4.15Å; R200-L204 HydrophobicContact CG-CG 4.45Å; R200-L204 WeakPolarHBondContact O-CB 2.99Å; R200-L204 VanDerWaalsContact O-CG 3.26Å; R200-L204 WeakPolarHBondContact O-CG 3.48Å; R200-L204 PolarHBondContact O-N 3.37Å
201	L	91.3	Very high	89.6	Confident	4 Å²	4	58.8 Å²	58.8	2%	0.021	28%	0.283	C	S	.	.	H	α-helix	trans	-63.3	-37.6	176.6	-76.8	172.5	0	0	0	111.6	L76 A79 Q80 F83 L149 E197 I198 T205	L76-L201 HydrophobicContact CD1-CD1 3.95Å; A79-L201 HydrophobicContact CB-CD1 4.13Å; Q80-L201 HydrophobicContact CG-CD1 3.91Å; Q80-L201 HydrophobicContact CG-CD2 4.46Å; F83-L201 HydrophobicContact CB-CD2 4.04Å; F83-L201 HydrophobicContact CD1-CD2 4.22Å; F83-L201 HydrophobicContact CG-CD2 4.08Å; L149-L201 HydrophobicContact CD1-CB 4.02Å; L149-L201 HydrophobicContact CD2-CB 3.98Å; L149-L201 HydrophobicContact CD2-CD1 4.15Å; E197-L201 HydrophobicContact CG-CD1 4.46Å; E197-L201 WeakPolarHBondContact O-CG 3.45Å; E197-L201 PolarHBondContact O-N 3Å; I198-L201 PolarHBondContact O-N 3.42Å; L201-T205 VanDerWaalsContact O-CB 3.29Å; L201-T205 WeakPolarHBondContact O-CB 3.46Å; L201-T205 PolarHBondContact O-N 3.3Å; L201-T205 PolarHBondContact O-OG1 2.9Å
202	I	88	Confident	89.4	Confident	13 Å²	13	58.4 Å²	58.4	7%	0.067	27%	0.273	C	S	.	.	H	α-helix	trans	-60.4	-54.4	173.6	-70.1	166.8	0	0	0	109.2	Y146 L149 I150 Q153 I198 D199 R200 L204 T205 E206	Y146-I202 HydrophobicContact CE2-CG2 3.86Å; L149-I202 HydrophobicContact CB-CD1 4.37Å; L149-I202 HydrophobicContact CB-CG1 3.71Å; L149-I202 HydrophobicContact CD1-CG1 4Å; L149-I202 HydrophobicContact CG-CG1 4.45Å; I150-I202 HydrophobicContact CD1-CD1 4.07Å; Q153-I202 HydrophobicContact CB-CD1 4.22Å; Q153-I202 HydrophobicContact CG-CD1 4.4Å; I198-I202 HydrophobicContact CG1-CD1 4.28Å; I198-I202 VanDerWaalsContact O-CG1 3.29Å; I198-I202 WeakPolarHBondContact O-CG1 3.37Å; I198-I202 PolarHBondContact O-N 2.97Å; D199-I202 WeakPolarHBondContact O-CB 3.43Å; D199-I202 PolarHBondContact O-N 3.29Å; R200-I202 VanDerWaalsContact C-N 3.3Å; R200-I202 PolarHBondContact O-N 3.47Å; I202-L204 PolarHBondContact O-N 3.27Å; I202-T205 WeakPolarHBondContact O-CB 3.29Å; I202-T205 PolarHBondContact O-N 3.46Å; I202-T205 VanDerWaalsContact O-N 3.11Å; I202-E206 HydrophobicContact CG2-CG 4.46Å; I202-E206 WeakPolarHBondContact O-CG 3.46Å; I202-E206 PolarHBondContact O-N 3.32Å
203	E	90.8	Very high	89	Confident	131 Å²	131	58.6 Å²	58.6	61%	0.612	27%	0.274	S	S	*	.	H	α-helix	trans	-57.6	-44.6	179.3	-72.5	177.7	-178.5	0	0	112.8	D199 R200 T205 E206 H207	D199-E203 WeakPolarHBondContact O-CG 3.33Å; D199-E203 PolarHBondContact O-N 2.85Å; R200-E203 PolarHBondContact O-N 3.32Å; E203-T205 VanDerWaalsContact C-N 3.31Å; E203-T205 PolarHBondContact O-N 2.97Å; E203-E206 PolarHBondContact O-N 3.46Å; E203-H207 WeakPolarHBondContact O-CB 3.3Å; E203-H207 PolarHBondContact O-N 3.4Å
204	L	93.2	Very high	88.7	Confident	65 Å²	65	55.8 Å²	55.8	34%	0.34	26%	0.262	S	S	.	.	H	α-helix	trans	-63.4	-37.8	177.4	-73.3	174.2	0	0	0	112.2	F83 R200 I202 A208	F83-L204 HydrophobicContact CE1-CB 4.24Å; F83-L204 HydrophobicContact CE1-CD1 4.16Å; F83-L204 HydrophobicContact CE2-CB 4Å; F83-L204 HydrophobicContact CZ-CB 3.62Å; F83-L204 HydrophobicContact CZ-CD1 4.36Å; R200-L204 HydrophobicContact CG-CD1 4.15Å; R200-L204 HydrophobicContact CG-CG 4.45Å; R200-L204 WeakPolarHBondContact O-CB 2.99Å; R200-L204 VanDerWaalsContact O-CG 3.26Å; R200-L204 WeakPolarHBondContact O-CG 3.48Å; R200-L204 PolarHBondContact O-N 3.37Å; I202-L204 PolarHBondContact O-N 3.27Å; L204-A208 VanDerWaalsContact O-CB 3.28Å; L204-A208 WeakPolarHBondContact O-CB 3.42Å; L204-A208 PolarHBondContact O-N 2.95Å
205	T	88.9	Confident	88.3	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-67.6	-45.1	176.3	-57.8	0	0	0	0	110.8	F142 F145 Y146 L201 I202 E203 H207 A208 V209	F142-T205 HydrophobicContact CD1-CG2 3.95Å; F145-T205 HydrophobicContact CD1-CG2 3.95Å; F145-T205 HydrophobicContact CE1-CG2 4.4Å; F145-T205 VanDerWaalsContact CE1-OG1 3.31Å; F145-T205 WeakPolarHBondContact CE1-OG1 3.41Å; Y146-T205 HydrophobicContact CD2-CG2 4.1Å; L201-T205 VanDerWaalsContact O-CB 3.29Å; L201-T205 WeakPolarHBondContact O-CB 3.46Å; L201-T205 PolarHBondContact O-N 3.3Å; L201-T205 PolarHBondContact O-OG1 2.9Å; I202-T205 WeakPolarHBondContact O-CB 3.29Å; I202-T205 PolarHBondContact O-N 3.46Å; I202-T205 VanDerWaalsContact O-N 3.11Å; E203-T205 VanDerWaalsContact C-N 3.31Å; E203-T205 PolarHBondContact O-N 2.97Å; T205-H207 PolarHBondContact O-N 3.01Å; T205-A208 PolarHBondContact O-N 3.34Å; T205-V209 VanDerWaalsContact O-CG2 3.29Å; T205-V209 WeakPolarHBondContact O-CG2 3.26Å; T205-V209 PolarHBondContact O-N 3.28Å
206	E	88	Confident	88	Confident	36 Å²	36	57.9 Å²	57.9	17%	0.168	28%	0.277	C	S	.	.	H	α-helix	trans	-60.5	-44.8	176.3	-69.7	-173.7	178.4	0	0	111.8	Y146 I202 E203 V209 T210 M222 L225	Y146-E206 HydrophobicContact CD2-CG 4.3Å; Y146-E206 HydrophobicContact CE2-CG 3.54Å; Y146-E206 WeakPolarHBondContact CE2-OE1 3.28Å; Y146-E206 PolarHBondContact OH-OE1 3.25Å; I202-E206 HydrophobicContact CG2-CG 4.46Å; I202-E206 WeakPolarHBondContact O-CG 3.46Å; I202-E206 PolarHBondContact O-N 3.32Å; E203-E206 PolarHBondContact O-N 3.46Å; E206-V209 PolarHBondContact O-N 3.4Å; E206-T210 VanDerWaalsContact O-CB 3.26Å; E206-T210 WeakPolarHBondContact O-CB 3.41Å; E206-T210 PolarHBondContact O-N 3.36Å; E206-T210 PolarHBondContact O-OG1 3.21Å; E206-M222 HydrophobicContact CB-CE 3.64Å; E206-M222 HydrophobicContact CG-CE 3.7Å; E206-M222 HydrophobicContact CG-SD 4.19Å; E206-L225 HydrophobicContact CG-CD1 4.24Å
207	H	90	Very high	87.5	Confident	120 Å²	120	54 Å²	54	56%	0.556	26%	0.264	S	S	*	.	H	α-helix	trans	-63.9	-45.8	176.6	-177.3	-87.8	0	0	0	111.6	E203 T205 V209 T210 E211	E203-H207 WeakPolarHBondContact O-CB 3.3Å; E203-H207 PolarHBondContact O-N 3.4Å; T205-H207 PolarHBondContact O-N 3.01Å; H207-V209 VanDerWaalsContact C-N 3.35Å; H207-V209 PolarHBondContact O-N 2.95Å; H207-T210 PolarHBondContact O-N 3.41Å; H207-E211 WeakPolarHBondContact O-CB 3.32Å; H207-E211 PolarHBondContact O-N 3.31Å
208	A	88.4	Confident	87	Confident	10 Å²	10	60 Å²	60	8%	0.083	29%	0.285	C	S	.	.	I	π-helix	trans	-59.8	-43.6	177.8	0	0	0	0	0	112	L90 F142 L204 T205 K212	L90-A208 HydrophobicContact CD2-CB 4.43Å; F142-A208 HydrophobicContact CE1-CB 3.97Å; F142-A208 HydrophobicContact CZ-CB 4.38Å; L204-A208 VanDerWaalsContact O-CB 3.28Å; L204-A208 WeakPolarHBondContact O-CB 3.42Å; L204-A208 PolarHBondContact O-N 2.95Å; T205-A208 PolarHBondContact O-N 3.34Å; A208-K212 WeakPolarHBondContact O-CA 3.45Å; A208-K212 WeakPolarHBondContact O-CB 3.45Å; A208-K212 PolarHBondContact O-N 2.74Å
209	V	85	Confident	86.2	Confident	3 Å²	3	67.8 Å²	67.8	2%	0.018	32%	0.321	C	S	.	.	I	π-helix	trans	-69.7	-42.7	178.8	176.7	0	0	0	0	111.2	F142 T205 E206 H207 L213 E214 A221 L225	F142-V209 HydrophobicContact CB-CG2 3.77Å; F142-V209 HydrophobicContact CD1-CG2 3.64Å; F142-V209 HydrophobicContact CE1-CG2 4.47Å; F142-V209 HydrophobicContact CG-CG2 3.84Å; T205-V209 VanDerWaalsContact O-CG2 3.29Å; T205-V209 WeakPolarHBondContact O-CG2 3.26Å; T205-V209 PolarHBondContact O-N 3.28Å; E206-V209 PolarHBondContact O-N 3.4Å; H207-V209 VanDerWaalsContact C-N 3.35Å; H207-V209 PolarHBondContact O-N 2.95Å; V209-L213 HydrophobicContact CG1-CB 4.47Å; V209-L213 HydrophobicContact CG2-CD1 4.26Å; V209-L213 WeakPolarHBondContact O-CB 3.24Å; V209-L213 PolarHBondContact O-N 3.5Å; V209-L213 VanDerWaalsContact O-N 3.14Å; V209-E214 HydrophobicContact CG1-CG 4.37Å; V209-E214 PolarHBondContact O-N 2.87Å; V209-A221 HydrophobicContact CG1-CB 3.97Å; V209-L225 HydrophobicContact CB-CD1 3.9Å; V209-L225 HydrophobicContact CB-CG 4.43Å; V209-L225 HydrophobicContact CG1-CD1 4.01Å; V209-L225 HydrophobicContact CG1-CD2 4.41Å; V209-L225 HydrophobicContact CG1-CG 4.1Å; V209-L225 HydrophobicContact CG2-CD1 4.09Å; V209-L225 HydrophobicContact CG2-CD2 3.98Å; V209-L225 HydrophobicContact CG2-CG 4.39Å
210	T	86	Confident	85.3	Confident	13 Å²	13	66.3 Å²	66.3	8%	0.08	32%	0.317	C	S	.	.	I	π-helix	trans	-62	-58.1	-179.9	-58.3	0	0	0	0	111.4	E206 H207 E214 Q215 G216 R218 A221	E206-T210 VanDerWaalsContact O-CB 3.26Å; E206-T210 WeakPolarHBondContact O-CB 3.41Å; E206-T210 PolarHBondContact O-N 3.36Å; E206-T210 PolarHBondContact O-OG1 3.21Å; H207-T210 PolarHBondContact O-N 3.41Å; T210-E214 CarbonylContact O-C 3.48Å; T210-Q215 PolarHBondContact O-N 3.27Å; T210-G216 WeakPolarHBondContact O-CA 3.28Å; T210-G216 PolarHBondContact O-N 3.34Å; T210-R218 HydrophobicContact CG2-CB 3.86Å; T210-R218 HydrophobicContact CG2-CG 4.44Å; T210-A221 WeakPolarHBondContact OG1-CB 3.37Å
211	E	87.6	Confident	84.4	Confident	104 Å²	104	59.6 Å²	59.6	49%	0.486	29%	0.292	S	S	.	.	I	π-helix	trans	-73.2	-47.8	-174.6	-68.3	-59.2	133.1	0	0	112	H207	H207-E211 WeakPolarHBondContact O-CB 3.32Å; H207-E211 PolarHBondContact O-N 3.31Å
212	K	86.4	Confident	83.5	Confident	74 Å²	74	61.4 Å²	61.4	32%	0.322	30%	0.301	S	S	.	.	I	π-helix	trans	-92.5	-26.9	-167	-59.2	-176.7	172.4	-173.4	0	114.2	L90 E91 Q94 A208	L90-K212 HydrophobicContact CD1-CB 4.12Å; L90-K212 HydrophobicContact CD2-CB 3.77Å; L90-K212 HydrophobicContact CD2-CD 3.42Å; L90-K212 VanDerWaalsContact CD2-CD 3.42Å; L90-K212 HydrophobicContact CD2-CG 4.2Å; L90-K212 HydrophobicContact CG-CB 4.14Å; L90-K212 HydrophobicContact CG-CD 3.85Å; E91-K212 IonicContact OE1-NZ 3.88Å; E91-K212 PolarHBondContact OE1-NZ 3.2Å; Q94-K212 VanDerWaalsContact NE2-CB 3.34Å; A208-K212 WeakPolarHBondContact O-CA 3.45Å; A208-K212 WeakPolarHBondContact O-CB 3.45Å; A208-K212 PolarHBondContact O-N 2.74Å
213	L	83.4	Confident	82.4	Confident	5 Å²	5	68.9 Å²	68.9	3%	0.026	33%	0.333	C	S	.	.	I	π-helix	trans	-109.5	-30.4	-175.6	-69.3	175.8	0	0	0	114.6	L90 L135 L138 R139 F142 V209	L90-L213 HydrophobicContact CD1-CD2 3.63Å; L90-L213 HydrophobicContact CD1-CG 3.99Å; L135-L213 HydrophobicContact CG-CD2 4.47Å; L138-L213 HydrophobicContact CD2-CD2 4.25Å; R139-L213 HydrophobicContact CG-CB 4.36Å; R139-L213 HydrophobicContact CG-CD1 4.01Å; R139-L213 HydrophobicContact CG-CD2 4.13Å; R139-L213 HydrophobicContact CG-CG 4.42Å; R139-L213 PolarHBondContact NH2-O 3.37Å; F142-L213 HydrophobicContact CB-CD1 4.4Å; F142-L213 HydrophobicContact CD2-CD1 3.74Å; F142-L213 HydrophobicContact CE2-CD1 4.27Å; F142-L213 HydrophobicContact CG-CD1 4.14Å; V209-L213 HydrophobicContact CG1-CB 4.47Å; V209-L213 HydrophobicContact CG2-CD1 4.26Å; V209-L213 WeakPolarHBondContact O-CB 3.24Å; V209-L213 PolarHBondContact O-N 3.5Å; V209-L213 VanDerWaalsContact O-N 3.14Å
214	E	82.7	Confident	81.2	Confident	30 Å²	30	67.6 Å²	67.6	14%	0.14	32%	0.322	C	S	.	.	S	Bend	trans	-115.5	14.9	-179.5	-60	-64.1	159.6	0	0	113	R139 V209 T210 G216 D217 A220 A221 R224	R139-E214 IonicContact NE-OE1 2.77Å; V209-E214 HydrophobicContact CG1-CG 4.37Å; V209-E214 PolarHBondContact O-N 2.87Å; T210-E214 CarbonylContact O-C 3.48Å; E214-G216 VanDerWaalsContact C-N 3.31Å; E214-G216 PolarHBondContact O-N 3.41Å; E214-D217 WeakPolarHBondContact O-CB 3.36Å; E214-D217 PolarHBondContact O-N 3Å; E214-D217 VanDerWaalsContact O-N 3.08Å; E214-A220 HydrophobicContact CB-CB 4.46Å; E214-A221 HydrophobicContact CB-CB 4.15Å; E214-A221 HydrophobicContact CG-CB 4.02Å; E214-R224 IonicContact OE1-CZ 3.92Å; E214-R224 VanDerWaalsContact OE1-CZ 3.3Å; E214-R224 IonicContact OE1-NE 3.96Å; E214-R224 PolarHBondContact OE1-NE 2.72Å; E214-R224 IonicContact OE1-NH2 3.72Å; E214-R224 PolarHBondContact OE1-NH2 3.32Å
215	Q	83.8	Confident	79.9	Confident	165 Å²	165	64.6 Å²	64.6	77%	0.771	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	36.5	169	-54.5	172.8	29.1	0	0	114.2	T210 D217	T210-Q215 PolarHBondContact O-N 3.27Å; Q215-D217 VanDerWaalsContact C-N 3.34Å
216	G	81	Confident	78.2	Confident	36 Å²	36	73.1 Å²	73.1	37%	0.371	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.5	-5.4	-179.8	0	0	0	0	0	114.4	T210 E214 R218	T210-G216 WeakPolarHBondContact O-CA 3.28Å; T210-G216 PolarHBondContact O-N 3.34Å; E214-G216 VanDerWaalsContact C-N 3.31Å; E214-G216 PolarHBondContact O-N 3.41Å; G216-R218 PolarHBondContact O-N 2.85Å
217	D	81	Confident	76.4	Confident	80 Å²	80	73.1 Å²	73.1	43%	0.428	34%	0.341	S	S	.	.			trans	-76.3	90.6	174.5	-172.6	-13.2	0	0	0	110.8	E214 Q215 Q219 A220 A221	E214-D217 WeakPolarHBondContact O-CB 3.36Å; E214-D217 PolarHBondContact O-N 3Å; E214-D217 VanDerWaalsContact O-N 3.08Å; Q215-D217 VanDerWaalsContact C-N 3.34Å; D217-Q219 PolarHBondContact O-N 3.3Å; D217-Q219 WeakPolarHBondContact OD1-CA 3.45Å; D217-Q219 WeakPolarHBondContact OD1-CB 3.34Å; D217-Q219 PolarHBondContact OD1-N 3.31Å; D217-A220 HydrophobicContact CB-CB 3.89Å; D217-A220 VanDerWaalsContact CG-CB 3.43Å; D217-A220 PolarHBondContact O-N 2.97Å; D217-A220 PolarHBondContact OD1-N 2.85Å; D217-A220 WeakPolarHBondContact OD2-CB 3.44Å; D217-A221 WeakPolarHBondContact O-CB 3.47Å; D217-A221 PolarHBondContact O-N 2.74Å
218	R	78.9	Confident	74.1	Confident	169 Å²	169	73 Å²	73	64%	0.638	34%	0.344	S	S	*	.	H	α-helix	trans	-58.7	-35.1	175.8	-172.9	177.4	177.8	171.4	3.1	112	T210 G216 A221 M222	T210-R218 HydrophobicContact CG2-CB 3.86Å; T210-R218 HydrophobicContact CG2-CG 4.44Å; G216-R218 PolarHBondContact O-N 2.85Å; R218-A221 PolarHBondContact O-N 3.47Å; R218-M222 HydrophobicContact CG-CG 4.04Å; R218-M222 VanDerWaalsContact O-CB 3.31Å; R218-M222 WeakPolarHBondContact O-CB 3.35Å; R218-M222 WeakPolarHBondContact O-CG 2.96Å; R218-M222 PolarHBondContact O-N 3.39Å
219	Q	72.6	Confident	71.9	Confident	164 Å²	164	74.4 Å²	74.4	77%	0.766	35%	0.353	S	S	*	.	H	α-helix	trans	-69.9	-43	-179.1	-68.1	-172.6	-4.3	0	0	111	D217 K223	D217-Q219 PolarHBondContact O-N 3.3Å; D217-Q219 WeakPolarHBondContact OD1-CA 3.45Å; D217-Q219 WeakPolarHBondContact OD1-CB 3.34Å; D217-Q219 PolarHBondContact OD1-N 3.31Å; Q219-K223 WeakPolarHBondContact O-CB 3.22Å; Q219-K223 PolarHBondContact O-N 2.96Å
220	A	70.8	Confident	69.9	Low	29 Å²	29	78.7 Å²	78.7	24%	0.24	37%	0.371	C	S	.	.	H	α-helix	trans	-62.4	-44.5	174	0	0	0	0	0	111.8	E214 D217 K223 R224	E214-A220 HydrophobicContact CB-CB 4.46Å; D217-A220 HydrophobicContact CB-CB 3.89Å; D217-A220 VanDerWaalsContact CG-CB 3.43Å; D217-A220 PolarHBondContact O-N 2.97Å; D217-A220 PolarHBondContact OD1-N 2.85Å; D217-A220 WeakPolarHBondContact OD2-CB 3.44Å; A220-K223 PolarHBondContact O-N 2.83Å; A220-R224 WeakPolarHBondContact O-CB 3.29Å; A220-R224 PolarHBondContact O-N 3.4Å
221	A	73.8	Confident	68.1	Low	0 Å²	0	81.8 Å²	81.8	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-60.9	-51.1	177.3	0	0	0	0	0	112.2	V209 T210 E214 D217 R218 K223 R224 L225	V209-A221 HydrophobicContact CG1-CB 3.97Å; T210-A221 WeakPolarHBondContact OG1-CB 3.37Å; E214-A221 HydrophobicContact CB-CB 4.15Å; E214-A221 HydrophobicContact CG-CB 4.02Å; D217-A221 WeakPolarHBondContact O-CB 3.47Å; D217-A221 PolarHBondContact O-N 2.74Å; R218-A221 PolarHBondContact O-N 3.47Å; A221-K223 VanDerWaalsContact C-N 3.32Å; A221-K223 PolarHBondContact O-N 3.39Å; A221-R224 PolarHBondContact O-N 3.05Å; A221-R224 VanDerWaalsContact O-N 3.17Å; A221-L225 WeakPolarHBondContact O-CB 3.43Å; A221-L225 WeakPolarHBondContact O-CG 3.29Å; A221-L225 PolarHBondContact O-N 3.12Å
222	M	72.5	Confident	66.5	Low	42 Å²	42	78.8 Å²	78.8	21%	0.207	38%	0.379	C	S	.	.	H	α-helix	trans	-65.8	-35.5	178.1	-68	-54.1	107.3	0	0	111.8	E206 R218 R224 L225 R226	E206-M222 HydrophobicContact CB-CE 3.64Å; E206-M222 HydrophobicContact CG-CE 3.7Å; E206-M222 HydrophobicContact CG-SD 4.19Å; R218-M222 HydrophobicContact CG-CG 4.04Å; R218-M222 VanDerWaalsContact O-CB 3.31Å; R218-M222 WeakPolarHBondContact O-CB 3.35Å; R218-M222 WeakPolarHBondContact O-CG 2.96Å; R218-M222 PolarHBondContact O-N 3.39Å; M222-R224 VanDerWaalsContact C-N 3.27Å; M222-R224 PolarHBondContact O-N 2.83Å; M222-L225 HydrophobicContact CE-CD1 3.73Å; M222-R226 WeakPolarHBondContact O-CA 3.21Å; M222-R226 WeakPolarHBondContact O-CB 3.37Å; M222-R226 PolarHBondContact O-N 3.22Å
223	K	64.8	Low	65	Low	171 Å²	171	82.3 Å²	82.3	74%	0.743	40%	0.397	S	S	*	.	H	α-helix	trans	-64.9	-32.8	175.1	-175.7	177.7	-179.8	-179.6	0	112.1	Q219 A220 A221	Q219-K223 WeakPolarHBondContact O-CB 3.22Å; Q219-K223 PolarHBondContact O-N 2.96Å; A220-K223 PolarHBondContact O-N 2.83Å; A221-K223 VanDerWaalsContact C-N 3.32Å; A221-K223 PolarHBondContact O-N 3.39Å
224	R	66	Low	64.2	Low	103 Å²	103	87.5 Å²	87.5	39%	0.389	42%	0.421	S	S	.	.	H	α-helix	trans	-77.8	-45.3	175.9	-174.1	-174.5	-62.4	-71.2	-3.3	112.3	E214 A220 A221 M222	E214-R224 IonicContact OE1-CZ 3.92Å; E214-R224 VanDerWaalsContact OE1-CZ 3.3Å; E214-R224 IonicContact OE1-NE 3.96Å; E214-R224 PolarHBondContact OE1-NE 2.72Å; E214-R224 IonicContact OE1-NH2 3.72Å; E214-R224 PolarHBondContact OE1-NH2 3.32Å; A220-R224 WeakPolarHBondContact O-CB 3.29Å; A220-R224 PolarHBondContact O-N 3.4Å; A221-R224 PolarHBondContact O-N 3.05Å; A221-R224 VanDerWaalsContact O-N 3.17Å; M222-R224 VanDerWaalsContact C-N 3.27Å; M222-R224 PolarHBondContact O-N 2.83Å
225	L	65.7	Low	63.9	Low	3 Å²	3	91.8 Å²	91.8	2%	0.016	44%	0.441	C	S	.	.	H	α-helix	trans	-72.8	-34.2	-178.5	-72.8	171.2	0	0	0	112.8	Y146 E206 V209 A221 M222 V227	Y146-L225 HydrophobicContact CD1-CB 3.89Å; Y146-L225 HydrophobicContact CD1-CD2 4.24Å; Y146-L225 VanDerWaalsContact CD1-O 3.3Å; Y146-L225 WeakPolarHBondContact CD1-O 3.45Å; Y146-L225 HydrophobicContact CD2-CD1 4.32Å; Y146-L225 HydrophobicContact CD2-CD2 4.22Å; Y146-L225 HydrophobicContact CE1-CB 4Å; Y146-L225 WeakPolarHBondContact CE1-O 3.4Å; Y146-L225 HydrophobicContact CE2-CD1 4.46Å; Y146-L225 HydrophobicContact CG-CB 4.18Å; Y146-L225 HydrophobicContact CG-CD2 3.77Å; Y146-L225 HydrophobicContact CG-CG 4.4Å; E206-L225 HydrophobicContact CG-CD1 4.24Å; V209-L225 HydrophobicContact CB-CD1 3.9Å; V209-L225 HydrophobicContact CB-CG 4.43Å; V209-L225 HydrophobicContact CG1-CD1 4.01Å; V209-L225 HydrophobicContact CG1-CD2 4.41Å; V209-L225 HydrophobicContact CG1-CG 4.1Å; V209-L225 HydrophobicContact CG2-CD1 4.09Å; V209-L225 HydrophobicContact CG2-CD2 3.98Å; V209-L225 HydrophobicContact CG2-CG 4.39Å; A221-L225 WeakPolarHBondContact O-CB 3.43Å; A221-L225 WeakPolarHBondContact O-CG 3.29Å; A221-L225 PolarHBondContact O-N 3.12Å; M222-L225 HydrophobicContact CE-CD1 3.73Å; L225-V227 PolarHBondContact O-N 3.06Å
226	R	54.2	Low	64	Low	178 Å²	178	87.8 Å²	87.8	67%	0.672	44%	0.436	S	S	*	.	S	Bend	trans	-55.5	109	171.6	178.5	177.3	-78.5	-177.4	-4.3	106.6	M222 L228	M222-R226 WeakPolarHBondContact O-CA 3.21Å; M222-R226 WeakPolarHBondContact O-CB 3.37Å; M222-R226 PolarHBondContact O-N 3.22Å; R226-L228 VanDerWaalsContact C-N 3.32Å; R226-L228 PolarHBondContact O-N 3.41Å
227	V	50.1	Low	64.4	Low	36 Å²	36	94.1 Å²	94.1	22%	0.218	45%	0.449	C	S	.	.			trans	-58	106	166.5	-168.8	0	0	0	0	104.2	L147 L225 P229 L663	L147-V227 HydrophobicContact CB-CG2 4.18Å; L147-V227 HydrophobicContact CD1-CG1 4.38Å; L147-V227 HydrophobicContact CD1-CG2 3.7Å; L147-V227 HydrophobicContact CG-CG2 4.46Å; L225-V227 PolarHBondContact O-N 3.06Å; V227-P229 VanDerWaalsContact O-N 3.1Å; V227-L663 HydrophobicContact CB-CB 4.48Å; V227-L663 HydrophobicContact CB-CD1 4.28Å; V227-L663 HydrophobicContact CG1-CD1 3.65Å
228	L	42.4	Very low	64.9	Low	117 Å²	117	90.7 Å²	90.7	61%	0.613	43%	0.431	S	S	*	.			trans	-50	126.2	171.4	-79.8	158.1	0	0	0	104.8	R226 F230	R226-L228 VanDerWaalsContact C-N 3.32Å; R226-L228 PolarHBondContact O-N 3.41Å; L228-F230 PolarHBondContact O-N 3.38Å
229	P	40.4	Very low	65.4	Low	41 Å²	41	85.5 Å²	85.5	27%	0.266	42%	0.418	S	S	.	.			trans	-52.2	129.4	174.2	24.5	-33	0	0	0	105.8	V227 S231	V227-P229 VanDerWaalsContact O-N 3.1Å; P229-S231 WeakPolarHBondContact CB-OG 3.39Å; P229-S231 CarbonylContact O-C 3.35Å; P229-S231 PolarHBondContact O-N 3.07Å; P229-S231 VanDerWaalsContact O-O 3.08Å
230	F	43.9	Very low	66.5	Low	93 Å²	93	83.6 Å²	83.6	41%	0.408	41%	0.407	S	S	.	.	S	Bend	trans	-53.3	-12.2	178.8	-68.5	-78.4	0	0	0	112.4	L228 E232 D660 L663	L228-F230 PolarHBondContact O-N 3.38Å; F230-E232 VanDerWaalsContact C-N 3.31Å; F230-E232 PolarHBondContact O-N 2.91Å; F230-D660 HydrophobicContact CB-CB 4.36Å; F230-D660 HydrophobicContact CD2-CB 4.17Å; F230-D660 HydrophobicContact CG-CB 4.41Å; F230-D660 WeakPolarHBondContact CG-OD1 3.43Å; F230-L663 HydrophobicContact CD2-CD1 4.48Å; F230-L663 HydrophobicContact CE2-CD1 3.8Å
231	S	48.4	Very low	67.7	Low	77 Å²	77	85.9 Å²	85.9	54%	0.538	41%	0.41	S	S	.	.	S	Bend	trans	-63.8	89.3	157.9	71	0	0	0	0	110.9	P229 Q233	P229-S231 WeakPolarHBondContact CB-OG 3.39Å; P229-S231 CarbonylContact O-C 3.35Å; P229-S231 PolarHBondContact O-N 3.07Å; P229-S231 VanDerWaalsContact O-O 3.08Å; S231-Q233 PolarHBondContact O-N 3.44Å
232	E	54.1	Low	68.8	Low	42 Å²	42	87.1 Å²	87.1	20%	0.196	42%	0.416	C	S	.	.			trans	-36.5	129.9	166.7	-70.2	160.8	-156.8	0	0	111.7	F230 Q234 H315 T317	F230-E232 VanDerWaalsContact C-N 3.31Å; F230-E232 PolarHBondContact O-N 2.91Å; E232-Q234 PolarHBondContact O-N 3.34Å; E232-H315 VanDerWaalsContact CD-CE1 3.47Å; E232-H315 IonicContact OE1-CE1 3.21Å; E232-H315 PolarHBondContact OE1-CE1 3.34Å; E232-H315 IonicContact OE1-ND1 2.86Å; E232-H315 IonicContact OE1-NE2 2.64Å; E232-T317 HydrophobicContact CG-CG2 4.47Å; E232-T317 WeakPolarHBondContact OE2-CB 3.5Å; E232-T317 WeakPolarHBondContact OE2-CG2 3.12Å
233	Q	54.7	Low	69.9	Low	148 Å²	148	87.3 Å²	87.3	69%	0.692	43%	0.429	S	S	*	.			trans	-65.3	108.3	173.6	-71	-171.4	-16.6	0	0	108.9	S231 H235	S231-Q233 PolarHBondContact O-N 3.44Å; Q233-H235 PolarHBondContact O-N 3Å
234	Q	65.6	Low	71.5	Confident	114 Å²	114	84.8 Å²	84.8	53%	0.533	42%	0.418	S	S	.	.			trans	-68.2	117.5	177	-67.3	176.4	-1	0	0	109.5	E232 A236 Y318	E232-Q234 PolarHBondContact O-N 3.34Å; Q234-A236 PolarHBondContact O-N 3.4Å; Q234-Y318 PolarHBondContact NE2-OH 2.9Å
235	H	76.4	Confident	73	Confident	119 Å²	119	81.9 Å²	81.9	55%	0.551	41%	0.408	S	S	*	.			trans	-75.9	115.3	173.5	-67.4	-62.7	0	0	0	109.4	Q233 W237 T238 T239	Q233-H235 PolarHBondContact O-N 3Å; H235-W237 PolarHBondContact O-N 3.13Å; H235-T238 WeakPolarHBondContact O-CB 3.34Å; H235-T238 PolarHBondContact O-N 3.07Å; H235-T239 PolarHBondContact O-N 3.13Å
236	A	86.3	Confident	74.5	Confident	81 Å²	81	84.4 Å²	84.4	67%	0.669	42%	0.421	S	S	*	.	H	α-helix	trans	-50.3	-36.2	-179.1	0	0	0	0	0	113.4	Q234 T238 T239 F240	Q234-A236 PolarHBondContact O-N 3.4Å; A236-T238 PolarHBondContact O-N 3.05Å; A236-T239 WeakPolarHBondContact O-CB 3.29Å; A236-T239 PolarHBondContact O-N 3.39Å; A236-F240 PolarHBondContact O-N 2.64Å
237	W	90.4	Very high	76.6	Confident	170 Å²	170	77.5 Å²	77.5	64%	0.644	41%	0.405	S	S	*	.	H	α-helix	trans	-65	-34.4	176.7	-171.5	-110.9	0	0	0	114.1	H235 F240 R241	H235-W237 PolarHBondContact O-N 3.13Å; W237-F240 HydrophobicContact CE3-CD1 4.33Å; W237-F240 HydrophobicContact CH2-CD1 4.38Å; W237-F240 HydrophobicContact CH2-CE1 4.45Å; W237-F240 HydrophobicContact CZ3-CD1 4.07Å; W237-F240 HydrophobicContact CZ3-CE1 4.41Å; W237-R241 VanDerWaalsContact CD1-NE 3.31Å; W237-R241 WeakPolarHBondContact O-CG 3.23Å; W237-R241 PolarHBondContact O-N 2.99Å
238	T	90.1	Very high	78.9	Confident	8 Å²	8	77.2 Å²	77.2	5%	0.049	41%	0.405	C	S	.	.	H	α-helix	trans	-68.4	-43.5	175.1	-57.9	0	0	0	0	109.8	H235 A236 F240 R241 L242 Q319 Q320 E323	H235-T238 WeakPolarHBondContact O-CB 3.34Å; H235-T238 PolarHBondContact O-N 3.07Å; A236-T238 PolarHBondContact O-N 3.05Å; T238-F240 VanDerWaalsContact C-N 3.35Å; T238-F240 PolarHBondContact O-N 3.04Å; T238-R241 PolarHBondContact O-N 3.33Å; T238-L242 WeakPolarHBondContact O-CB 3.42Å; T238-L242 PolarHBondContact O-N 3.41Å; T238-Q319 HydrophobicContact CG2-CB 3.9Å; T238-Q320 HydrophobicContact CG2-CG 3.76Å; T238-E323 WeakPolarHBondContact CG2-OE2 3.27Å
239	T	91.3	Very high	81.6	Confident	60 Å²	60	72.9 Å²	72.9	37%	0.368	38%	0.381	S	S	.	.	H	α-helix	trans	-59.3	-44.5	175.5	-50.8	0	0	0	0	111.9	H235 A236 L242 G243 Q319	H235-T239 PolarHBondContact O-N 3.13Å; A236-T239 WeakPolarHBondContact O-CB 3.29Å; A236-T239 PolarHBondContact O-N 3.39Å; T239-L242 PolarHBondContact O-N 2.88Å; T239-G243 PolarHBondContact O-N 3.13Å; T239-Q319 PolarHBondContact OG1-NE2 3.32Å; T239-Q319 VanDerWaalsContact OG1-NE2 3.14Å
240	F	95.8	Very high	84.3	Confident	123 Å²	123	75.4 Å²	75.4	54%	0.539	39%	0.392	S	S	.	.	H	α-helix	trans	-61.3	-49.9	176.3	174.4	-99.4	0	0	0	112	A236 W237 T238 L242 G243 F244	A236-F240 PolarHBondContact O-N 2.64Å; W237-F240 HydrophobicContact CE3-CD1 4.33Å; W237-F240 HydrophobicContact CH2-CD1 4.38Å; W237-F240 HydrophobicContact CH2-CE1 4.45Å; W237-F240 HydrophobicContact CZ3-CD1 4.07Å; W237-F240 HydrophobicContact CZ3-CE1 4.41Å; T238-F240 VanDerWaalsContact C-N 3.35Å; T238-F240 PolarHBondContact O-N 3.04Å; F240-L242 VanDerWaalsContact C-N 3.34Å; F240-L242 PolarHBondContact O-N 3.5Å; F240-G243 PolarHBondContact O-N 3Å; F240-G243 VanDerWaalsContact O-N 3.14Å; F240-F244 PolarHBondContact O-N 2.97Å
241	R	95.6	Very high	86.9	Confident	77 Å²	77	75.9 Å²	75.9	29%	0.291	40%	0.402	S	S	.	.	H	α-helix	trans	-61.7	-41.2	179.1	-73.5	-174.5	-63.1	151.4	12.3	112.4	W237 T238 F244 F245 E323	W237-R241 VanDerWaalsContact CD1-NE 3.31Å; W237-R241 WeakPolarHBondContact O-CG 3.23Å; W237-R241 PolarHBondContact O-N 2.99Å; T238-R241 PolarHBondContact O-N 3.33Å; R241-F244 PolarHBondContact O-N 3.45Å; R241-F245 HydrophobicContact CB-CD2 4.43Å; R241-F245 HydrophobicContact CB-CE2 4.31Å; R241-F245 WeakPolarHBondContact O-CD2 3.42Å; R241-F245 PolarHBondContact O-N 2.88Å; R241-E323 HydrophobicContact CB-CG 4.3Å; R241-E323 VanDerWaalsContact CZ-CD 3.44Å; R241-E323 IonicContact CZ-OE1 2.72Å; R241-E323 IonicContact CZ-OE2 3.18Å; R241-E323 VanDerWaalsContact CZ-OE2 3.22Å; R241-E323 IonicContact NE-OE1 3.13Å; R241-E323 IonicContact NE-OE2 3.29Å; R241-E323 IonicContact NH1-OE1 3.78Å; R241-E323 PolarHBondContact NH1-OE1 2.91Å; R241-E323 IonicContact NH1-OE2 2.69Å; R241-E323 VanDerWaalsContact NH2-CD 3.34Å; R241-E323 IonicContact NH2-OE1 3.62Å; R241-E323 PolarHBondContact NH2-OE1 3.39Å; R241-E323 VanDerWaalsContact NH2-OE1 3.11Å; R241-E323 IonicContact NH2-OE2 2.77Å; R241-E323 PolarHBondContact NH2-OE2 2.71Å
242	L	95.7	Very high	89.3	Confident	27 Å²	27	73.5 Å²	73.5	14%	0.141	38%	0.383	C	S	.	.	H	α-helix	trans	-58	-48.1	172.6	171	58.4	0	0	0	111.3	T238 T239 F240 F244 F245 M246 Q319 L322 E323 T326	T238-L242 WeakPolarHBondContact O-CB 3.42Å; T238-L242 PolarHBondContact O-N 3.41Å; T239-L242 PolarHBondContact O-N 2.88Å; F240-L242 VanDerWaalsContact C-N 3.34Å; F240-L242 PolarHBondContact O-N 3.5Å; L242-F244 VanDerWaalsContact C-N 3.33Å; L242-F244 PolarHBondContact O-N 3.07Å; L242-F245 PolarHBondContact O-N 2.77Å; L242-M246 VanDerWaalsContact O-CB 3.26Å; L242-M246 WeakPolarHBondContact O-CB 3.5Å; L242-M246 PolarHBondContact O-N 2.8Å; L242-Q319 HydrophobicContact CD2-CB 4.44Å; L242-L322 HydrophobicContact CD1-CB 3.64Å; L242-L322 HydrophobicContact CD2-CB 4.01Å; L242-L322 HydrophobicContact CD2-CD1 4.3Å; L242-L322 HydrophobicContact CG-CB 4.5Å; L242-E323 HydrophobicContact CB-CB 4.45Å; L242-T326 HydrophobicContact CD1-CG2 4.08Å
243	G	97	Very high	91.3	Very high	46 Å²	46	74.5 Å²	74.5	47%	0.474	39%	0.39	S	S	.	.	H	α-helix	trans	-59.8	-42.8	176	0	0	0	0	0	112.7	T239 F240 G247	T239-G243 PolarHBondContact O-N 3.13Å; F240-G243 PolarHBondContact O-N 3Å; F240-G243 VanDerWaalsContact O-N 3.14Å; G243-G247 PolarHBondContact O-N 2.7Å
244	F	97.9	Very high	93.4	Very high	117 Å²	117	70.8 Å²	70.8	51%	0.513	38%	0.38	S	S	.	.	H	α-helix	trans	-61.5	-49.5	176.6	175.2	-95.5	0	0	0	112.4	F240 R241 L242 G247 S248	F240-F244 PolarHBondContact O-N 2.97Å; R241-F244 PolarHBondContact O-N 3.45Å; L242-F244 VanDerWaalsContact C-N 3.33Å; L242-F244 PolarHBondContact O-N 3.07Å; F244-G247 PolarHBondContact O-N 2.89Å; F244-S248 VanDerWaalsContact O-CB 3.29Å; F244-S248 WeakPolarHBondContact O-CB 3.25Å; F244-S248 PolarHBondContact O-N 3.37Å; F244-S248 PolarHBondContact O-OG 2.89Å
245	F	98.2	Very high	94.9	Very high	42 Å²	42	68.9 Å²	68.9	18%	0.184	37%	0.373	C	S	.	.	H	α-helix	trans	-67.7	-38.6	179.1	-72.8	-58.4	0	0	0	112.2	R241 L242 S248 F249 E323 T326 M327 V330	R241-F245 HydrophobicContact CB-CD2 4.43Å; R241-F245 HydrophobicContact CB-CE2 4.31Å; R241-F245 WeakPolarHBondContact O-CD2 3.42Å; R241-F245 PolarHBondContact O-N 2.88Å; L242-F245 PolarHBondContact O-N 2.77Å; F245-S248 PolarHBondContact O-N 2.66Å; F245-F249 WeakPolarHBondContact O-CB 3.34Å; F245-F249 PolarHBondContact O-N 2.97Å; F245-E323 HydrophobicContact CD2-CG 3.93Å; F245-E323 HydrophobicContact CE2-CG 4.08Å; F245-T326 VanDerWaalsContact CB-OG1 3.27Å; F245-T326 WeakPolarHBondContact CB-OG1 3.32Å; F245-M327 HydrophobicContact CD1-CB 4.3Å; F245-M327 HydrophobicContact CD2-CB 4.39Å; F245-M327 HydrophobicContact CE1-CB 4.26Å; F245-M327 HydrophobicContact CE1-CG 4.09Å; F245-M327 HydrophobicContact CE2-CB 4.35Å; F245-M327 HydrophobicContact CG-CB 4.38Å; F245-M327 HydrophobicContact CZ-CB 4.29Å; F245-M327 HydrophobicContact CZ-CG 4.1Å; F245-V330 HydrophobicContact CD1-CG2 4.25Å; F245-V330 WeakPolarHBondContact O-CG2 3.5Å
246	M	97.2	Very high	95.8	Very high	56 Å²	56	63.7 Å²	63.7	28%	0.276	35%	0.349	S	S	.	.	H	α-helix	trans	-62.1	-48.1	174.6	-176.4	59.8	76.1	0	0	111.5	L242 F249 L250 F288 T326	L242-M246 VanDerWaalsContact O-CB 3.26Å; L242-M246 WeakPolarHBondContact O-CB 3.5Å; L242-M246 PolarHBondContact O-N 2.8Å; M246-F249 PolarHBondContact O-N 3.07Å; M246-L250 WeakPolarHBondContact O-CG 3.31Å; M246-L250 PolarHBondContact O-N 2.85Å; M246-L250 VanDerWaalsContact O-N 3.1Å; M246-F288 HydrophobicContact CE-CD2 4.25Å; M246-F288 HydrophobicContact CE-CE2 3.24Å; M246-F288 HydrophobicContact CE-CZ 3.62Å; M246-T326 HydrophobicContact CB-CG2 4.44Å; M246-T326 HydrophobicContact CE-CG2 3.56Å; M246-T326 HydrophobicContact SD-CG2 4.29Å
247	G	98.1	Very high	96.1	Very high	33 Å²	33	63.6 Å²	63.6	34%	0.34	34%	0.34	S	S	.	.	H	α-helix	trans	-62.7	-44.3	176.8	0	0	0	0	0	112.3	G243 F244 F249 L250 V251	G243-G247 PolarHBondContact O-N 2.7Å; F244-G247 PolarHBondContact O-N 2.89Å; G247-F249 VanDerWaalsContact C-N 3.33Å; G247-F249 PolarHBondContact O-N 3.33Å; G247-L250 PolarHBondContact O-N 2.92Å; G247-V251 WeakPolarHBondContact O-CG2 3.29Å; G247-V251 PolarHBondContact O-N 3.11Å; G247-V251 VanDerWaalsContact O-N 3.07Å
248	S	98.3	Very high	96.4	Very high	30 Å²	30	60 Å²	60	21%	0.21	33%	0.333	C	S	.	.	H	α-helix	trans	-60.1	-43.4	176.3	-59.7	0	0	0	0	111.5	F244 F245 L250 V251 L252	F244-S248 VanDerWaalsContact O-CB 3.29Å; F244-S248 WeakPolarHBondContact O-CB 3.25Å; F244-S248 PolarHBondContact O-N 3.37Å; F244-S248 PolarHBondContact O-OG 2.89Å; F245-S248 PolarHBondContact O-N 2.66Å; S248-L250 PolarHBondContact O-N 2.75Å; S248-V251 PolarHBondContact O-N 2.91Å; S248-L252 WeakPolarHBondContact O-CB 3.33Å; S248-L252 VanDerWaalsContact O-CG 3.23Å; S248-L252 WeakPolarHBondContact O-CG 3.45Å; S248-L252 PolarHBondContact O-N 3.26Å
249	F	98.2	Very high	96.5	Very high	27 Å²	27	60 Å²	60	12%	0.118	33%	0.333	C	S	.	.	H	α-helix	trans	-60.3	-45.1	176.3	171.9	-116.4	0	0	0	112	F245 M246 G247 V251 L252 L253 L329 V330 W332 S333	F245-F249 WeakPolarHBondContact O-CB 3.34Å; F245-F249 PolarHBondContact O-N 2.97Å; M246-F249 PolarHBondContact O-N 3.07Å; G247-F249 VanDerWaalsContact C-N 3.33Å; G247-F249 PolarHBondContact O-N 3.33Å; F249-V251 PolarHBondContact O-N 3.49Å; F249-L252 PolarHBondContact O-N 3.43Å; F249-L253 HydrophobicContact CE1-CD2 4.34Å; F249-L253 HydrophobicContact CE2-CB 4.43Å; F249-L253 HydrophobicContact CZ-CD2 4.12Å; F249-L253 VanDerWaalsContact O-CB 3.25Å; F249-L253 WeakPolarHBondContact O-CB 3.44Å; F249-L253 PolarHBondContact O-N 2.86Å; F249-L329 HydrophobicContact CD1-CD1 4.4Å; F249-L329 HydrophobicContact CD2-CB 3.6Å; F249-L329 HydrophobicContact CE1-CD1 4.2Å; F249-L329 HydrophobicContact CE2-CB 3.78Å; F249-L329 HydrophobicContact CE2-CD2 4.18Å; F249-L329 HydrophobicContact CE2-CG 4.4Å; F249-L329 HydrophobicContact CG-CB 4.01Å; F249-L329 HydrophobicContact CZ-CB 4.32Å; F249-L329 HydrophobicContact CZ-CD1 4.29Å; F249-L329 HydrophobicContact CZ-CD2 4.23Å; F249-V330 HydrophobicContact CB-CG2 3.97Å; F249-W332 HydrophobicContact CE2-CE3 4.43Å; F249-W332 HydrophobicContact CE2-CZ3 4.4Å; F249-S333 WeakPolarHBondContact CD2-OG 3.46Å
250	L	97.7	Very high	96.4	Very high	94 Å²	94	61.1 Å²	61.1	49%	0.492	34%	0.336	S	S	.	.	H	α-helix	trans	-63.2	-40.3	178.8	-68.3	174.9	0	0	0	112.6	M246 G247 S248 S254	M246-L250 WeakPolarHBondContact O-CG 3.31Å; M246-L250 PolarHBondContact O-N 2.85Å; M246-L250 VanDerWaalsContact O-N 3.1Å; G247-L250 PolarHBondContact O-N 2.92Å; S248-L250 PolarHBondContact O-N 2.75Å; L250-S254 WeakPolarHBondContact O-CB 3.32Å; L250-S254 PolarHBondContact O-N 3.21Å; L250-S254 PolarHBondContact O-OG 3.34Å
251	V	98.3	Very high	96.2	Very high	102 Å²	102	60.2 Å²	60.2	62%	0.618	34%	0.341	S	S	*	.	H	α-helix	trans	-64.7	-47.2	175.8	172.7	0	0	0	0	110.6	G247 S248 F249 S254 L255	G247-V251 WeakPolarHBondContact O-CG2 3.29Å; G247-V251 PolarHBondContact O-N 3.11Å; G247-V251 VanDerWaalsContact O-N 3.07Å; S248-V251 PolarHBondContact O-N 2.91Å; F249-V251 PolarHBondContact O-N 3.49Å; V251-S254 WeakPolarHBondContact O-CB 3.33Å; V251-S254 PolarHBondContact O-N 3.48Å; V251-L255 PolarHBondContact O-N 3.13Å
252	L	98.4	Very high	95.9	Very high	28 Å²	28	63.8 Å²	63.8	15%	0.147	36%	0.358	C	S	.	.	H	α-helix	trans	-66.6	-38.4	179.4	-66.9	170.9	0	0	0	112.2	S248 F249 S254 L255 I256 V330 L334 L337	S248-L252 WeakPolarHBondContact O-CB 3.33Å; S248-L252 VanDerWaalsContact O-CG 3.23Å; S248-L252 WeakPolarHBondContact O-CG 3.45Å; S248-L252 PolarHBondContact O-N 3.26Å; F249-L252 PolarHBondContact O-N 3.43Å; L252-S254 VanDerWaalsContact C-N 3.33Å; L252-L255 WeakPolarHBondContact O-CB 3.43Å; L252-L255 PolarHBondContact O-N 3.24Å; L252-I256 WeakPolarHBondContact O-CG1 3.47Å; L252-I256 PolarHBondContact O-N 3.05Å; L252-V330 HydrophobicContact CD1-CG1 3.9Å; L252-L334 HydrophobicContact CD1-CD2 4.08Å; L252-L334 HydrophobicContact CD1-CG 4.09Å; L252-L334 HydrophobicContact CD2-CD2 4.04Å; L252-L337 HydrophobicContact CD2-CD1 3.7Å
253	L	97.2	Very high	95.2	Very high	63 Å²	63	67.3 Å²	67.3	33%	0.33	38%	0.375	S	S	.	.	H	α-helix	trans	-62.1	-43	174.1	-178.5	63.8	0	0	0	111.1	F249 L255 I256 V257	F249-L253 HydrophobicContact CE1-CD2 4.34Å; F249-L253 HydrophobicContact CE2-CB 4.43Å; F249-L253 HydrophobicContact CZ-CD2 4.12Å; F249-L253 VanDerWaalsContact O-CB 3.25Å; F249-L253 WeakPolarHBondContact O-CB 3.44Å; F249-L253 PolarHBondContact O-N 2.86Å; L253-L255 VanDerWaalsContact C-N 3.31Å; L253-L255 PolarHBondContact O-N 3.35Å; L253-I256 PolarHBondContact O-N 3.22Å; L253-V257 WeakPolarHBondContact O-CG2 3.5Å; L253-V257 PolarHBondContact O-N 2.92Å
254	S	97.2	Very high	94	Very high	69 Å²	69	69 Å²	69	48%	0.483	38%	0.378	S	S	.	.	H	α-helix	trans	-62	-41	175.2	-55.9	0	0	0	0	111.1	L250 V251 L252 V257 L258	L250-S254 WeakPolarHBondContact O-CB 3.32Å; L250-S254 PolarHBondContact O-N 3.21Å; L250-S254 PolarHBondContact O-OG 3.34Å; V251-S254 WeakPolarHBondContact O-CB 3.33Å; V251-S254 PolarHBondContact O-N 3.48Å; L252-S254 VanDerWaalsContact C-N 3.33Å; S254-V257 PolarHBondContact O-N 3.22Å; S254-L258 VanDerWaalsContact O-CG 3.28Å; S254-L258 WeakPolarHBondContact O-CG 3.3Å; S254-L258 PolarHBondContact O-N 3.34Å
255	L	97	Very high	92.7	Very high	74 Å²	74	67 Å²	67	39%	0.387	37%	0.372	S	S	.	.	H	α-helix	trans	-63.5	-43.7	175.5	-177.1	59.2	0	0	0	112	V251 L252 L253 V257 L258 T259 L337	V251-L255 PolarHBondContact O-N 3.13Å; L252-L255 WeakPolarHBondContact O-CB 3.43Å; L252-L255 PolarHBondContact O-N 3.24Å; L253-L255 VanDerWaalsContact C-N 3.31Å; L253-L255 PolarHBondContact O-N 3.35Å; L255-V257 VanDerWaalsContact C-N 3.34Å; L255-V257 PolarHBondContact O-N 2.91Å; L255-L258 PolarHBondContact O-N 2.83Å; L255-T259 WeakPolarHBondContact O-CB 3.36Å; L255-T259 PolarHBondContact O-N 3.4Å; L255-T259 PolarHBondContact O-OG1 3.24Å; L255-T259 VanDerWaalsContact O-OG1 3.05Å; L255-L337 HydrophobicContact CB-CD2 4.47Å; L255-L337 HydrophobicContact CD2-CD1 3.75Å; L255-L337 HydrophobicContact CD2-CD2 4.06Å; L255-L337 HydrophobicContact CG-CD1 4.27Å; L255-L337 HydrophobicContact CG-CD2 3.84Å
256	I	95.2	Very high	91	Very high	10 Å²	10	72.1 Å²	72.1	5%	0.051	40%	0.402	C	S	.	.	H	α-helix	trans	-57.8	-47.5	175	-69.5	165	0	0	0	110.6	L252 L253 L258 T259 L260 W332 I336 L337 L340	L252-I256 WeakPolarHBondContact O-CG1 3.47Å; L252-I256 PolarHBondContact O-N 3.05Å; L253-I256 PolarHBondContact O-N 3.22Å; I256-L258 PolarHBondContact O-N 3.04Å; I256-T259 PolarHBondContact O-N 3.41Å; I256-L260 HydrophobicContact CG2-CD1 3.91Å; I256-L260 HydrophobicContact CG2-CG 4.39Å; I256-L260 WeakPolarHBondContact O-CB 2.99Å; I256-L260 VanDerWaalsContact O-CG 3.31Å; I256-L260 WeakPolarHBondContact O-CG 3.21Å; I256-L260 PolarHBondContact O-N 2.92Å; I256-W332 HydrophobicContact CD1-CZ3 4.34Å; I256-I336 HydrophobicContact CD1-CB 4.06Å; I256-I336 HydrophobicContact CD1-CG2 3.89Å; I256-I336 HydrophobicContact CG1-CG2 3.97Å; I256-I336 HydrophobicContact CG2-CG2 3.99Å; I256-L337 HydrophobicContact CD1-CG 4.45Å; I256-L337 HydrophobicContact CG1-CD1 4.38Å; I256-L337 HydrophobicContact CG1-CD2 3.7Å; I256-L337 HydrophobicContact CG1-CG 3.73Å; I256-L340 HydrophobicContact CG2-CD1 4.49Å
257	V	94.3	Very high	89.3	Confident	79 Å²	79	73 Å²	73	48%	0.479	41%	0.413	S	S	.	.	H	α-helix	trans	-61.1	-45.8	178.8	172.6	0	0	0	0	110.8	L253 S254 L255 L260 V261	L253-V257 WeakPolarHBondContact O-CG2 3.5Å; L253-V257 PolarHBondContact O-N 2.92Å; S254-V257 PolarHBondContact O-N 3.22Å; L255-V257 VanDerWaalsContact C-N 3.34Å; L255-V257 PolarHBondContact O-N 2.91Å; V257-L260 PolarHBondContact O-N 3.38Å; V257-V261 VanDerWaalsContact O-CG2 3.28Å; V257-V261 WeakPolarHBondContact O-CG2 3.31Å; V257-V261 PolarHBondContact O-N 2.99Å
258	L	95.2	Very high	87.7	Confident	95 Å²	95	72.7 Å²	72.7	50%	0.497	40%	0.403	S	S	.	.	H	α-helix	trans	-61.5	-46.3	176.9	-70	169.8	0	0	0	111.6	S254 L255 I256 L260 V261 F262	S254-L258 VanDerWaalsContact O-CG 3.28Å; S254-L258 WeakPolarHBondContact O-CG 3.3Å; S254-L258 PolarHBondContact O-N 3.34Å; L255-L258 PolarHBondContact O-N 2.83Å; I256-L258 PolarHBondContact O-N 3.04Å; L258-L260 VanDerWaalsContact C-N 3.35Å; L258-L260 PolarHBondContact O-N 3.37Å; L258-V261 PolarHBondContact O-N 3.35Å; L258-F262 HydrophobicContact CB-CD2 4.5Å; L258-F262 HydrophobicContact CD2-CE2 4.08Å; L258-F262 WeakPolarHBondContact O-CD2 3.33Å; L258-F262 PolarHBondContact O-N 3.46Å
259	T	92.8	Very high	86.3	Confident	8 Å²	8	71.7 Å²	71.7	5%	0.049	40%	0.396	C	S	.	.	H	α-helix	trans	-58.5	-45.9	176.8	-60.6	0	0	0	0	111.2	L255 I256 V261 F262 M263 L340 Y341	L255-T259 WeakPolarHBondContact O-CB 3.36Å; L255-T259 PolarHBondContact O-N 3.4Å; L255-T259 PolarHBondContact O-OG1 3.24Å; L255-T259 VanDerWaalsContact O-OG1 3.05Å; I256-T259 PolarHBondContact O-N 3.41Å; T259-V261 VanDerWaalsContact C-N 3.28Å; T259-V261 PolarHBondContact O-N 3.42Å; T259-F262 PolarHBondContact O-N 3.33Å; T259-M263 HydrophobicContact CG2-CB 4.48Å; T259-M263 WeakPolarHBondContact O-CA 3.28Å; T259-M263 WeakPolarHBondContact O-CB 3.35Å; T259-M263 PolarHBondContact O-N 2.78Å; T259-L340 HydrophobicContact CG2-CB 4.19Å; T259-L340 HydrophobicContact CG2-CD1 3.96Å; T259-Y341 HydrophobicContact CG2-CE2 3.73Å; T259-Y341 PolarHBondContact OG1-OH 2.68Å; T259-Y341 VanDerWaalsContact OG1-OH 3.08Å
260	L	89.6	Confident	84.8	Confident	83 Å²	83	79.4 Å²	79.4	44%	0.435	42%	0.424	S	S	.	.	H	α-helix	trans	-65	-29.9	178.6	-70.5	173.9	0	0	0	113.4	I256 V257 L258 L265 L340	I256-L260 HydrophobicContact CG2-CD1 3.91Å; I256-L260 HydrophobicContact CG2-CG 4.39Å; I256-L260 WeakPolarHBondContact O-CB 2.99Å; I256-L260 VanDerWaalsContact O-CG 3.31Å; I256-L260 WeakPolarHBondContact O-CG 3.21Å; I256-L260 PolarHBondContact O-N 2.92Å; V257-L260 PolarHBondContact O-N 3.38Å; L258-L260 VanDerWaalsContact C-N 3.35Å; L258-L260 PolarHBondContact O-N 3.37Å; L260-L265 HydrophobicContact CD2-CD1 3.65Å; L260-L340 HydrophobicContact CD2-CD1 4.21Å; L260-L340 HydrophobicContact CD2-CD2 3.96Å; L260-L340 HydrophobicContact CG-CD1 4.38Å
261	V	90.5	Very high	84.1	Confident	105 Å²	105	76.7 Å²	76.7	64%	0.636	41%	0.407	S	S	*	.	H	α-helix	trans	-75.3	-38.7	176.6	169.5	0	0	0	0	111.8	V257 L258 T259	V257-V261 VanDerWaalsContact O-CG2 3.28Å; V257-V261 WeakPolarHBondContact O-CG2 3.31Å; V257-V261 PolarHBondContact O-N 2.99Å; L258-V261 PolarHBondContact O-N 3.35Å; T259-V261 VanDerWaalsContact C-N 3.28Å; T259-V261 PolarHBondContact O-N 3.42Å
262	F	89.8	Confident	83.5	Confident	152 Å²	152	71.8 Å²	71.8	67%	0.667	38%	0.378	S	S	*	.	H	α-helix	trans	-92.3	-23.9	-175.7	-71.4	-67.5	0	0	0	114.7	L258 T259 P264	L258-F262 HydrophobicContact CB-CD2 4.5Å; L258-F262 HydrophobicContact CD2-CE2 4.08Å; L258-F262 WeakPolarHBondContact O-CD2 3.33Å; L258-F262 PolarHBondContact O-N 3.46Å; T259-F262 PolarHBondContact O-N 3.33Å; F262-P264 WeakPolarHBondContact O-CD 3.17Å
263	M	82.3	Confident	83.1	Confident	101 Å²	101	71.4 Å²	71.4	50%	0.498	38%	0.379	S	S	.	.	S	Bend	trans	-122.9	82.4	-177.8	-63	-70.4	-73.3	0	0	110	T259 L265	T259-M263 HydrophobicContact CG2-CB 4.48Å; T259-M263 WeakPolarHBondContact O-CA 3.28Å; T259-M263 WeakPolarHBondContact O-CB 3.35Å; T259-M263 PolarHBondContact O-N 2.78Å; M263-L265 PolarHBondContact O-N 3.44Å
264	P	72	Confident	82.8	Confident	82 Å²	82	71.6 Å²	71.6	53%	0.532	38%	0.379	S	S	.	.			trans	-63.8	134.8	177.5	24.3	-31.4	0	0	0	111.5	F262 D266	F262-P264 WeakPolarHBondContact O-CD 3.17Å; P264-D266 VanDerWaalsContact C-N 3.32Å; P264-D266 PolarHBondContact O-N 3.44Å
265	L	69.4	Low	82.5	Confident	74 Å²	74	69.3 Å²	69.3	39%	0.387	36%	0.36	S	S	.	.			trans	-78.3	77	176.3	-68.4	102.1	0	0	0	110.6	L260 M263 E268 L340	L260-L265 HydrophobicContact CD2-CD1 3.65Å; M263-L265 PolarHBondContact O-N 3.44Å; L265-E268 HydrophobicContact CD2-CG 4.4Å; L265-L340 HydrophobicContact CD1-CD2 4.11Å; L265-L340 HydrophobicContact CD2-CD2 4.26Å
266	D	63	Low	82.3	Confident	150 Å²	150	65.8 Å²	65.8	80%	0.802	34%	0.341	S	S	*	.			trans	-79.9	-21.2	-177	-73.4	-23.4	0	0	0	113.9	P264	P264-D266 VanDerWaalsContact C-N 3.32Å; P264-D266 PolarHBondContact O-N 3.44Å
267	S	60.1	Low	82.4	Confident	74 Å²	74	65.7 Å²	65.7	52%	0.517	34%	0.341	S	S	.	.	S	Bend	trans	-95.4	-8.9	-173.5	59.9	0	0	0	0	115.3
268	E	64.5	Low	82.5	Confident	26 Å²	26	62.7 Å²	62.7	12%	0.121	32%	0.321	C	S	.	.	S	Bend	trans	-110.4	150.4	-167.1	-64.8	-60	125.1	0	0	113.7	L265 R270 K349 M435	L265-E268 HydrophobicContact CD2-CG 4.4Å; E268-R270 PolarHBondContact O-N 3.46Å; E268-R270 VanDerWaalsContact O-N 3.08Å; E268-K349 IonicContact OE1-NZ 2.97Å; E268-K349 PolarHBondContact OE1-NZ 2.88Å; E268-K349 WeakPolarHBondContact OE2-CE 3.4Å; E268-K349 IonicContact OE2-NZ 2.71Å; E268-K349 PolarHBondContact OE2-NZ 3.3Å; E268-M435 WeakPolarHBondContact OE2-CE 3.47Å
269	P	69.3	Low	82.5	Confident	9 Å²	9	58.2 Å²	58.2	6%	0.058	30%	0.297	C	S	.	.			trans	-61.1	114.1	168	29.1	-36.7	0	0	0	109.9	W271 V272 M435 I460	P269-W271 PolarHBondContact O-N 3Å; P269-V272 HydrophobicContact CB-CG2 3.76Å; P269-V272 HydrophobicContact CG-CB 4.09Å; P269-V272 HydrophobicContact CG-CG2 3.46Å; P269-V272 VanDerWaalsContact CG-CG2 3.46Å; P269-V272 PolarHBondContact O-N 3.27Å; P269-M435 HydrophobicContact CG-CE 4.17Å; P269-M435 HydrophobicContact CG-SD 3.9Å; P269-I460 HydrophobicContact CB-CG2 3.77Å; P269-I460 HydrophobicContact CG-CG2 3.82Å
270	R	68.4	Low	82.8	Confident	190 Å²	190	58 Å²	58	72%	0.717	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	-29.5	-164.5	-67.8	-179	176	-179.8	-2.9	115.3	E268	E268-R270 PolarHBondContact O-N 3.46Å; E268-R270 VanDerWaalsContact O-N 3.08Å
271	W	82.4	Confident	83.2	Confident	36 Å²	36	56.9 Å²	56.9	14%	0.136	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-12.2	-170.7	-59.8	112.2	0	0	0	115.9	P269 I274 R275 E620 D622 V623	P269-W271 PolarHBondContact O-N 3Å; W271-I274 HydrophobicContact CE3-CB 4.38Å; W271-I274 HydrophobicContact CE3-CD1 3.52Å; W271-I274 HydrophobicContact CE3-CG2 4.46Å; W271-I274 HydrophobicContact CZ3-CD1 3.46Å; W271-I274 VanDerWaalsContact CZ3-CD1 3.46Å; W271-I274 PolarHBondContact O-N 2.97Å; W271-R275 WeakPolarHBondContact O-CG 3.31Å; W271-R275 PolarHBondContact O-N 3.4Å; W271-E620 VanDerWaalsContact CE2-OE2 3.23Å; W271-E620 HydrophobicContact CZ2-CB 3.98Å; W271-E620 HydrophobicContact CZ2-CG 4.33Å; W271-E620 WeakPolarHBondContact CZ2-OE2 3.34Å; W271-E620 PolarHBondContact NE1-OE2 3.11Å; W271-D622 HydrophobicContact CB-CB 4.49Å; W271-D622 HydrophobicContact CD2-CB 3.55Å; W271-D622 HydrophobicContact CE3-CB 3.31Å; W271-D622 HydrophobicContact CG-CB 4.05Å; W271-D622 HydrophobicContact CZ3-CB 3.85Å; W271-V623 HydrophobicContact CH2-CB 4.47Å; W271-V623 HydrophobicContact CH2-CG2 3.22Å; W271-V623 HydrophobicContact CZ2-CG2 3.87Å; W271-V623 HydrophobicContact CZ3-CG2 3.98Å
272	V	85.8	Confident	83.5	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-61.8	-53.7	-174.1	175.7	0	0	0	0	110.7	P269 I274 R275 L276 F421 M435 Q466	P269-V272 HydrophobicContact CB-CG2 3.76Å; P269-V272 HydrophobicContact CG-CB 4.09Å; P269-V272 HydrophobicContact CG-CG2 3.46Å; P269-V272 VanDerWaalsContact CG-CG2 3.46Å; P269-V272 PolarHBondContact O-N 3.27Å; V272-I274 VanDerWaalsContact C-N 3.28Å; V272-I274 PolarHBondContact O-N 3.35Å; V272-R275 PolarHBondContact O-N 2.99Å; V272-L276 HydrophobicContact CG1-CD1 3.87Å; V272-L276 HydrophobicContact CG1-CG 4.36Å; V272-L276 WeakPolarHBondContact O-CG 3.46Å; V272-L276 PolarHBondContact O-N 3.04Å; V272-F421 HydrophobicContact CG1-CD2 4.2Å; V272-F421 HydrophobicContact CG1-CE1 4.33Å; V272-F421 HydrophobicContact CG1-CE2 3.49Å; V272-F421 VanDerWaalsContact CG1-CE2 3.49Å; V272-F421 HydrophobicContact CG1-CZ 3.57Å; V272-M435 HydrophobicContact CG1-SD 4.43Å; V272-Q466 VanDerWaalsContact CG2-NE2 3.33Å
273	A	89	Confident	83.9	Confident	20 Å²	20	47 Å²	47	17%	0.165	24%	0.24	C	C	.	.	H	α-helix	trans	-57.1	-43	179.2	0	0	0	0	0	112	R275 L276 F277 Y339	A273-R275 PolarHBondContact O-N 3.46Å; A273-L276 PolarHBondContact O-N 3.19Å; A273-F277 WeakPolarHBondContact O-CD2 3.41Å; A273-F277 PolarHBondContact O-N 2.86Å; A273-F277 VanDerWaalsContact O-N 3.1Å; A273-Y339 HydrophobicContact CB-CD1 4.47Å; A273-Y339 HydrophobicContact CB-CE1 3.69Å; A273-Y339 HydrophobicContact CB-CE2 4.48Å
274	I	90.9	Very high	84.6	Confident	67 Å²	67	42.2 Å²	42.2	34%	0.344	22%	0.216	S	C	.	.	H	α-helix	trans	-60.4	-49.8	179.2	-68.8	171.9	0	0	0	110.1	W271 V272 L276 F277 R278	W271-I274 HydrophobicContact CE3-CB 4.38Å; W271-I274 HydrophobicContact CE3-CD1 3.52Å; W271-I274 HydrophobicContact CE3-CG2 4.46Å; W271-I274 HydrophobicContact CZ3-CD1 3.46Å; W271-I274 VanDerWaalsContact CZ3-CD1 3.46Å; W271-I274 PolarHBondContact O-N 2.97Å; V272-I274 VanDerWaalsContact C-N 3.28Å; V272-I274 PolarHBondContact O-N 3.35Å; I274-L276 VanDerWaalsContact C-N 3.33Å; I274-L276 PolarHBondContact O-N 3.49Å; I274-F277 PolarHBondContact O-N 2.85Å; I274-R278 HydrophobicContact CG2-CB 4.49Å; I274-R278 WeakPolarHBondContact O-CA 3.23Å; I274-R278 WeakPolarHBondContact O-CB 3.4Å; I274-R278 PolarHBondContact O-N 3.39Å
275	R	90.9	Very high	85.8	Confident	20 Å²	20	39.9 Å²	39.9	8%	0.075	20%	0.204	C	C	.	.	H	α-helix	trans	-63.2	-38	179.7	-66.8	173.8	-172.7	163.1	3.2	112.5	W271 V272 A273 F277 Y417 D468 S471 D622	W271-R275 WeakPolarHBondContact O-CG 3.31Å; W271-R275 PolarHBondContact O-N 3.4Å; V272-R275 PolarHBondContact O-N 2.99Å; A273-R275 PolarHBondContact O-N 3.46Å; R275-F277 VanDerWaalsContact C-N 3.34Å; R275-F277 PolarHBondContact O-N 2.79Å; R275-Y417 HydrophobicContact CB-CD1 3.68Å; R275-Y417 HydrophobicContact CB-CE1 3.6Å; R275-Y417 HydrophobicContact CB-CG 4.39Å; R275-Y417 HydrophobicContact CG-CE1 4.49Å; R275-D468 IonicContact CZ-OD2 2.65Å; R275-D468 IonicContact NH1-OD1 2.6Å; R275-D468 PolarHBondContact NH1-OD1 3.01Å; R275-D468 IonicContact NH1-OD2 3.38Å; R275-D468 PolarHBondContact NH1-OD2 2.93Å; R275-S471 VanDerWaalsContact NH1-CB 3.29Å; R275-D622 WeakPolarHBondContact CG-OD1 3.48Å; R275-D622 IonicContact CZ-OD1 2.92Å; R275-D622 IonicContact CZ-OD2 2.85Å; R275-D622 VanDerWaalsContact CZ-OD2 3.29Å; R275-D622 IonicContact NE-OD1 3.8Å; R275-D622 PolarHBondContact NE-OD1 3.24Å; R275-D622 IonicContact NE-OD2 3.54Å; R275-D622 PolarHBondContact NE-OD2 3.12Å; R275-D622 VanDerWaalsContact NE-OD2 3.11Å; R275-D622 IonicContact NH2-OD2 2.72Å; R275-D622 PolarHBondContact NH2-OD2 3.05Å
276	L	94	Very high	87.2	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-66.4	-32.4	178.3	-67.9	176	0	0	0	113.2	V272 A273 I274 F280 P353 Y417 F418 F421 Y422	V272-L276 HydrophobicContact CG1-CD1 3.87Å; V272-L276 HydrophobicContact CG1-CG 4.36Å; V272-L276 WeakPolarHBondContact O-CG 3.46Å; V272-L276 PolarHBondContact O-N 3.04Å; A273-L276 PolarHBondContact O-N 3.19Å; I274-L276 VanDerWaalsContact C-N 3.33Å; I274-L276 PolarHBondContact O-N 3.49Å; L276-F280 VanDerWaalsContact O-CD2 3.25Å; L276-F280 WeakPolarHBondContact O-CD2 3.26Å; L276-F280 VanDerWaalsContact O-CE2 3.24Å; L276-F280 WeakPolarHBondContact O-CE2 3.31Å; L276-P353 HydrophobicContact CB-CB 4.29Å; L276-P353 HydrophobicContact CB-CG 4.27Å; L276-P353 HydrophobicContact CD1-CG 4.12Å; L276-Y417 HydrophobicContact CD2-CD1 4.28Å; L276-Y417 HydrophobicContact CD2-CE1 4.08Å; L276-Y417 HydrophobicContact CG-CE1 4.31Å; L276-F418 HydrophobicContact CD2-CB 4.39Å; L276-F418 HydrophobicContact CD2-CD2 3.73Å; L276-F418 HydrophobicContact CD2-CE2 4.4Å; L276-F418 HydrophobicContact CD2-CG 4.28Å; L276-F421 HydrophobicContact CD1-CD1 4.16Å; L276-F421 HydrophobicContact CD1-CE1 3.87Å; L276-F421 HydrophobicContact CD1-CZ 4.42Å; L276-F421 HydrophobicContact CD2-CD1 3.9Å; L276-F421 HydrophobicContact CD2-CE1 4.46Å; L276-F421 HydrophobicContact CD2-CG 4.33Å; L276-Y422 HydrophobicContact CD2-CE2 4.18Å
277	F	96.8	Very high	88.8	Confident	9 Å²	9	31.8 Å²	31.8	4%	0.039	16%	0.161	C	C	.	.	H	α-helix	trans	-103.3	-21.6	-177.4	-74.2	-70.1	0	0	0	115	A273 I274 R275 F280 L281 W332 C335 I336 Y339 F352 P353 L356	A273-F277 WeakPolarHBondContact O-CD2 3.41Å; A273-F277 PolarHBondContact O-N 2.86Å; A273-F277 VanDerWaalsContact O-N 3.1Å; I274-F277 PolarHBondContact O-N 2.85Å; R275-F277 VanDerWaalsContact C-N 3.34Å; R275-F277 PolarHBondContact O-N 2.79Å; F277-F280 PolarHBondContact O-N 3.48Å; F277-L281 PolarHBondContact O-N 3.33Å; F277-W332 PolarHBondContact O-NE1 3.36Å; F277-C335 HydrophobicContact CE1-CB 3.89Å; F277-C335 HydrophobicContact CZ-CB 4.42Å; F277-I336 HydrophobicContact CB-CD1 4.19Å; F277-I336 HydrophobicContact CB-CG1 4.36Å; F277-I336 HydrophobicContact CD1-CD1 4.4Å; F277-I336 HydrophobicContact CD1-CG1 3.81Å; F277-I336 HydrophobicContact CD2-CG1 4.02Å; F277-I336 HydrophobicContact CE1-CG1 4.02Å; F277-I336 HydrophobicContact CE2-CG1 4.22Å; F277-I336 HydrophobicContact CG-CD1 4.19Å; F277-I336 HydrophobicContact CG-CG1 3.81Å; F277-I336 HydrophobicContact CZ-CG1 4.22Å; F277-Y339 AromaticContact CE2-CD2 3.91Å; F277-Y339 HydrophobicContact CE2-CD2 3.91Å; F277-Y339 AromaticContact CE2-CG 3.93Å; F277-Y339 HydrophobicContact CE2-CG 3.93Å; F277-Y339 HydrophobicContact CZ-CD2 4.42Å; F277-Y339 HydrophobicContact CZ-CG 4.47Å; F277-F352 HydrophobicContact CZ-CB 4.35Å; F277-P353 HydrophobicContact CE1-CB 4.44Å; F277-P353 HydrophobicContact CE1-CG 4.27Å; F277-P353 HydrophobicContact CE2-CG 3.86Å; F277-P353 HydrophobicContact CZ-CB 4.28Å; F277-P353 HydrophobicContact CZ-CG 3.63Å; F277-L356 HydrophobicContact CD1-CD2 4Å; F277-L356 HydrophobicContact CE1-CD2 4.19Å
278	R	95.5	Very high	90.6	Very high	16 Å²	16	31 Å²	31	6%	0.06	15%	0.148	C	C	.	.	H	α-helix	trans	-62.7	-47.3	-174.7	173.8	177.4	68.7	-155.9	-0	112.5	I274 F280 L281 I282 D414 D622 S626	I274-R278 HydrophobicContact CG2-CB 4.49Å; I274-R278 WeakPolarHBondContact O-CA 3.23Å; I274-R278 WeakPolarHBondContact O-CB 3.4Å; I274-R278 PolarHBondContact O-N 3.39Å; R278-F280 VanDerWaalsContact C-N 3.29Å; R278-F280 PolarHBondContact O-N 2.87Å; R278-L281 WeakPolarHBondContact O-CB 3.43Å; R278-L281 PolarHBondContact O-N 3.37Å; R278-L281 VanDerWaalsContact O-N 3.14Å; R278-I282 HydrophobicContact CG-CD1 3.6Å; R278-I282 HydrophobicContact CG-CG1 4.3Å; R278-I282 WeakPolarHBondContact O-CG1 3.35Å; R278-I282 PolarHBondContact O-N 3.41Å; R278-D414 WeakPolarHBondContact CB-OD2 3.32Å; R278-D414 WeakPolarHBondContact CG-OD2 3.44Å; R278-D414 IonicContact CZ-OD1 2.68Å; R278-D414 IonicContact CZ-OD2 3.1Å; R278-D414 IonicContact NE-OD1 3.88Å; R278-D414 IonicContact NE-OD2 2.97Å; R278-D414 PolarHBondContact NE-OD2 3.15Å; R278-D414 IonicContact NH2-OD1 3.23Å; R278-D414 PolarHBondContact NH2-OD1 3.26Å; R278-D414 IonicContact NH2-OD2 3.5Å; R278-D622 IonicContact CZ-OD1 3.66Å; R278-D622 PolarHBondContact NH1-O 3.22Å; R278-D622 IonicContact NH1-OD1 3.89Å; R278-D622 PolarHBondContact NH1-OD1 2.82Å; R278-D622 IonicContact NH2-OD1 2.81Å; R278-S626 WeakPolarHBondContact CD-OG 3.48Å; R278-S626 PolarHBondContact NH1-OG 3.44Å
279	G	96.6	Very high	92.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-55	-45	178.7	0	0	0	0	0	112.4	I282 L283 F411 D414	G279-I282 PolarHBondContact O-N 3.01Å; G279-L283 PolarHBondContact O-N 3.17Å; G279-F411 WeakPolarHBondContact O-CD2 3.42Å; G279-D414 PolarHBondContact N-OD2 2.88Å; G279-D414 VanDerWaalsContact N-OD2 3.13Å
280	F	98.1	Very high	93.6	Very high	4 Å²	4	32.2 Å²	32.2	2%	0.018	15%	0.154	C	C	.	.	H	α-helix	trans	-62.5	-45.8	176.7	-63.7	-79.8	0	0	0	112.2	L276 F277 R278 I282 L283 F284 L356 M357 M415 F418	L276-F280 VanDerWaalsContact O-CD2 3.25Å; L276-F280 WeakPolarHBondContact O-CD2 3.26Å; L276-F280 VanDerWaalsContact O-CE2 3.24Å; L276-F280 WeakPolarHBondContact O-CE2 3.31Å; F277-F280 PolarHBondContact O-N 3.48Å; R278-F280 VanDerWaalsContact C-N 3.29Å; R278-F280 PolarHBondContact O-N 2.87Å; F280-I282 VanDerWaalsContact C-N 3.34Å; F280-I282 PolarHBondContact O-N 3.27Å; F280-L283 PolarHBondContact O-N 3.44Å; F280-F284 HydrophobicContact CB-CD2 4.41Å; F280-F284 HydrophobicContact CB-CE2 3.82Å; F280-F284 HydrophobicContact CB-CZ 4.06Å; F280-F284 HydrophobicContact CD1-CZ 4.09Å; F280-F284 VanDerWaalsContact O-CD2 3.23Å; F280-F284 WeakPolarHBondContact O-CD2 3.42Å; F280-F284 WeakPolarHBondContact O-CG 3.41Å; F280-F284 PolarHBondContact O-N 3.49Å; F280-L356 HydrophobicContact CB-CD2 3.78Å; F280-L356 HydrophobicContact CD1-CD2 3.94Å; F280-L356 HydrophobicContact CD1-CG 3.99Å; F280-L356 HydrophobicContact CD2-CD2 3.71Å; F280-L356 HydrophobicContact CD2-CG 4.45Å; F280-L356 HydrophobicContact CE1-CD2 4.44Å; F280-L356 HydrophobicContact CE1-CG 4.2Å; F280-L356 HydrophobicContact CE2-CD2 4.24Å; F280-L356 HydrophobicContact CG-CD2 3.54Å; F280-L356 HydrophobicContact CG-CG 4.12Å; F280-M357 HydrophobicContact CE1-CE 4.11Å; F280-M357 HydrophobicContact CE1-SD 4.26Å; F280-M357 HydrophobicContact CZ-CB 4.05Å; F280-M357 HydrophobicContact CZ-CE 3.58Å; F280-M357 HydrophobicContact CZ-SD 4.18Å; F280-M415 HydrophobicContact CD2-CE 4.23Å; F280-M415 HydrophobicContact CE1-CE 4.48Å; F280-M415 HydrophobicContact CE2-CE 3.94Å; F280-M415 HydrophobicContact CZ-CE 4.08Å; F280-M415 HydrophobicContact CZ-SD 4.32Å; F280-F418 HydrophobicContact CE2-CD2 4.21Å; F280-F418 HydrophobicContact CE2-CE2 4.1Å; F280-F418 HydrophobicContact CZ-CE2 4.29Å
281	L	97.5	Very high	94.9	Very high	59 Å²	59	23.1 Å²	23.1	31%	0.309	12%	0.12	S	C	.	.	H	α-helix	trans	-57.5	-47.8	177.1	178.3	62.6	0	0	0	111.5	F277 R278 L283 F284 A285 L329 W332	F277-L281 PolarHBondContact O-N 3.33Å; R278-L281 WeakPolarHBondContact O-CB 3.43Å; R278-L281 PolarHBondContact O-N 3.37Å; R278-L281 VanDerWaalsContact O-N 3.14Å; L281-L283 VanDerWaalsContact C-N 3.34Å; L281-L283 PolarHBondContact O-N 3.35Å; L281-F284 PolarHBondContact O-N 3.41Å; L281-A285 VanDerWaalsContact O-CB 3.23Å; L281-A285 WeakPolarHBondContact O-CB 3.23Å; L281-A285 PolarHBondContact O-N 3.05Å; L281-L329 HydrophobicContact CD1-CD2 3.87Å; L281-W332 HydrophobicContact CB-CZ2 3.76Å; L281-W332 HydrophobicContact CD1-CD2 4.34Å; L281-W332 HydrophobicContact CD1-CE3 4.35Å; L281-W332 HydrophobicContact CD1-CH2 3.92Å; L281-W332 HydrophobicContact CD1-CZ2 3.86Å; L281-W332 HydrophobicContact CD1-CZ3 4.17Å; L281-W332 HydrophobicContact CD2-CH2 3.98Å; L281-W332 HydrophobicContact CD2-CZ2 3.72Å; L281-W332 HydrophobicContact CG-CH2 4.39Å; L281-W332 HydrophobicContact CG-CZ2 3.98Å
282	I	97.3	Very high	95.6	Very high	7 Å²	7	23.7 Å²	23.7	4%	0.036	13%	0.127	C	C	.	.	H	α-helix	trans	-59.2	-46.5	178.8	-68.7	165.7	0	0	0	110.2	R278 G279 F280 Q286 L408 T410 A629	R278-I282 HydrophobicContact CG-CD1 3.6Å; R278-I282 HydrophobicContact CG-CG1 4.3Å; R278-I282 WeakPolarHBondContact O-CG1 3.35Å; R278-I282 PolarHBondContact O-N 3.41Å; G279-I282 PolarHBondContact O-N 3.01Å; F280-I282 VanDerWaalsContact C-N 3.34Å; F280-I282 PolarHBondContact O-N 3.27Å; I282-Q286 WeakPolarHBondContact O-CB 3.43Å; I282-Q286 PolarHBondContact O-N 3.26Å; I282-L408 HydrophobicContact CG2-CD2 3.77Å; I282-T410 HydrophobicContact CD1-CG2 3.53Å; I282-A629 HydrophobicContact CD1-CB 3.56Å; I282-A629 HydrophobicContact CG1-CB 4.27Å
283	L	97.9	Very high	96.2	Very high	42 Å²	42	23.7 Å²	23.7	22%	0.22	13%	0.127	C	C	.	.	H	α-helix	trans	-61.1	-48.2	178.1	179.4	63.9	0	0	0	111.6	G279 F280 L281 Q286 I287 L408 F411	G279-L283 PolarHBondContact O-N 3.17Å; F280-L283 PolarHBondContact O-N 3.44Å; L281-L283 VanDerWaalsContact C-N 3.34Å; L281-L283 PolarHBondContact O-N 3.35Å; L283-Q286 PolarHBondContact O-N 2.95Å; L283-I287 HydrophobicContact CD1-CD1 4.49Å; L283-I287 HydrophobicContact CG-CD1 4.29Å; L283-I287 WeakPolarHBondContact O-CG1 3.2Å; L283-I287 PolarHBondContact O-N 3.41Å; L283-L408 HydrophobicContact CD1-CD1 4.14Å; L283-F411 HydrophobicContact CB-CD2 4.07Å; L283-F411 HydrophobicContact CB-CE2 4.3Å; L283-F411 HydrophobicContact CD2-CD2 4.39Å; L283-F411 HydrophobicContact CD2-CE2 3.79Å; L283-F411 HydrophobicContact CD2-CZ 4.02Å
284	F	98.3	Very high	96.4	Very high	1 Å²	1	23.5 Å²	23.5	0%	0.004	12%	0.123	C	C	.	.	H	α-helix	trans	-67.4	-39.1	-178.3	-57	-23.5	0	0	0	112.2	F280 L281 Q286 I287 F288 F328 L329 W332 L356	F280-F284 HydrophobicContact CB-CD2 4.41Å; F280-F284 HydrophobicContact CB-CE2 3.82Å; F280-F284 HydrophobicContact CB-CZ 4.06Å; F280-F284 HydrophobicContact CD1-CZ 4.09Å; F280-F284 VanDerWaalsContact O-CD2 3.23Å; F280-F284 WeakPolarHBondContact O-CD2 3.42Å; F280-F284 WeakPolarHBondContact O-CG 3.41Å; F280-F284 PolarHBondContact O-N 3.49Å; L281-F284 PolarHBondContact O-N 3.41Å; F284-Q286 VanDerWaalsContact C-N 3.34Å; F284-Q286 PolarHBondContact O-N 3.14Å; F284-I287 PolarHBondContact O-N 2.86Å; F284-F288 PolarHBondContact O-N 3.16Å; F284-F328 HydrophobicContact CB-CB 4.37Å; F284-F328 HydrophobicContact CD1-CB 3.73Å; F284-F328 AromaticContact CD1-CD2 3.64Å; F284-F328 HydrophobicContact CD1-CD2 3.64Å; F284-F328 HydrophobicContact CD1-CG 4.08Å; F284-F328 HydrophobicContact CD2-CB 3.89Å; F284-F328 HydrophobicContact CE1-CB 3.91Å; F284-F328 AromaticContact CE1-CD2 3.67Å; F284-F328 HydrophobicContact CE1-CD2 3.67Å; F284-F328 HydrophobicContact CE1-CE2 4.39Å; F284-F328 AromaticContact CE1-CG 4Å; F284-F328 HydrophobicContact CE1-CG 4Å; F284-F328 HydrophobicContact CE2-CB 4.07Å; F284-F328 HydrophobicContact CG-CB 3.72Å; F284-F328 HydrophobicContact CG-CD2 4.45Å; F284-F328 HydrophobicContact CZ-CB 4.08Å; F284-F328 HydrophobicContact CZ-CD2 4.49Å; F284-F328 HydrophobicContact CZ-CG 4.41Å; F284-L329 HydrophobicContact CB-CD2 3.76Å; F284-L329 HydrophobicContact CB-CG 4.03Å; F284-L329 HydrophobicContact CD2-CD2 4.49Å; F284-W332 HydrophobicContact CD2-CB 4.05Å; F284-W332 HydrophobicContact CD2-CG 4.42Å; F284-W332 HydrophobicContact CE2-CB 3.92Å; F284-W332 HydrophobicContact CE2-CG 4.41Å; F284-L356 HydrophobicContact CE2-CD1 4.17Å; F284-L356 HydrophobicContact CZ-CD1 4.27Å
285	A	97.3	Very high	96.5	Very high	34 Å²	34	24.6 Å²	24.6	28%	0.281	12%	0.123	S	C	.	.	H	α-helix	trans	-62.2	-40.1	172.7	0	0	0	0	0	111.8	L281 I287 F288 L289	L281-A285 VanDerWaalsContact O-CB 3.23Å; L281-A285 WeakPolarHBondContact O-CB 3.23Å; L281-A285 PolarHBondContact O-N 3.05Å; A285-I287 PolarHBondContact O-N 3.31Å; A285-F288 WeakPolarHBondContact O-CB 3.33Å; A285-F288 PolarHBondContact O-N 2.79Å; A285-L289 WeakPolarHBondContact O-CG 3.43Å; A285-L289 PolarHBondContact O-N 3.16Å
286	Q	97.7	Very high	96.3	Very high	11 Å²	11	24 Å²	24	5%	0.051	12%	0.124	C	C	.	.	H	α-helix	trans	-64	-40.3	176	-170.2	65.9	22.9	0	0	112	I282 L283 F284 L289 M290 L408 C633	I282-Q286 WeakPolarHBondContact O-CB 3.43Å; I282-Q286 PolarHBondContact O-N 3.26Å; L283-Q286 PolarHBondContact O-N 2.95Å; F284-Q286 VanDerWaalsContact C-N 3.34Å; F284-Q286 PolarHBondContact O-N 3.14Å; Q286-L289 PolarHBondContact O-N 3.44Å; Q286-M290 PolarHBondContact O-N 3.11Å; Q286-L408 HydrophobicContact CB-CD2 4.09Å; Q286-L408 HydrophobicContact CG-CD2 4.21Å; Q286-C633 VanDerWaalsContact OE1-CA 3.31Å; Q286-C633 PolarHBondContact OE1-SG 2.92Å
287	I	97.3	Very high	95.8	Very high	43 Å²	43	24 Å²	24	22%	0.221	12%	0.124	C	C	.	.	H	α-helix	trans	-65.2	-41.6	175.2	-61.6	167.6	0	0	0	110.3	L283 F284 A285 M290 G291 L321 F328	L283-I287 HydrophobicContact CD1-CD1 4.49Å; L283-I287 HydrophobicContact CG-CD1 4.29Å; L283-I287 WeakPolarHBondContact O-CG1 3.2Å; L283-I287 PolarHBondContact O-N 3.41Å; F284-I287 PolarHBondContact O-N 2.86Å; A285-I287 PolarHBondContact O-N 3.31Å; I287-M290 WeakPolarHBondContact O-CB 3.4Å; I287-M290 PolarHBondContact O-N 3.5Å; I287-G291 PolarHBondContact O-N 3.44Å; I287-L321 HydrophobicContact CG2-CD1 3.81Å; I287-L321 HydrophobicContact CG2-CG 4.23Å; I287-F328 HydrophobicContact CD1-CD2 4.43Å; I287-F328 HydrophobicContact CD1-CE2 4.48Å
288	F	98.1	Very high	95	Very high	57 Å²	57	25.4 Å²	25.4	25%	0.25	13%	0.13	C	C	.	.	H	α-helix	trans	-59.1	-48.8	174.9	178.5	-96.2	0	0	0	111.7	M246 F284 A285 M290 G291 V292 L322 S325 T326	M246-F288 HydrophobicContact CE-CD2 4.25Å; M246-F288 HydrophobicContact CE-CE2 3.24Å; M246-F288 HydrophobicContact CE-CZ 3.62Å; F284-F288 PolarHBondContact O-N 3.16Å; A285-F288 WeakPolarHBondContact O-CB 3.33Å; A285-F288 PolarHBondContact O-N 2.79Å; F288-M290 VanDerWaalsContact C-N 3.27Å; F288-M290 PolarHBondContact O-N 3.46Å; F288-G291 WeakPolarHBondContact O-CA 3.49Å; F288-G291 PolarHBondContact O-N 3.47Å; F288-V292 HydrophobicContact CD1-CG2 4.28Å; F288-V292 HydrophobicContact CE1-CG2 3.84Å; F288-V292 HydrophobicContact CZ-CG2 4.11Å; F288-V292 PolarHBondContact O-N 3.43Å; F288-L322 HydrophobicContact CD2-CD2 3.53Å; F288-L322 HydrophobicContact CE2-CD2 3.49Å; F288-L322 VanDerWaalsContact CE2-CD2 3.49Å; F288-L322 HydrophobicContact CG-CD2 4.23Å; F288-L322 HydrophobicContact CZ-CD2 4.2Å; F288-L322 WeakPolarHBondContact O-CD2 3.35Å; F288-S325 WeakPolarHBondContact CA-OG 3.39Å; F288-T326 HydrophobicContact CD2-CG2 4.2Å; F288-T326 HydrophobicContact CE2-CG2 4.24Å
289	L	98.3	Very high	94.2	Very high	34 Å²	34	33 Å²	33	18%	0.178	16%	0.159	C	C	.	.	H	α-helix	trans	-61.2	-34	176.5	-71	174.6	0	0	0	112.4	A285 Q286 V292 N293 C633 F637	A285-L289 WeakPolarHBondContact O-CG 3.43Å; A285-L289 PolarHBondContact O-N 3.16Å; Q286-L289 PolarHBondContact O-N 3.44Å; L289-V292 PolarHBondContact O-N 2.94Å; L289-N293 PolarHBondContact O-N 3.39Å; L289-C633 HydrophobicContact CD1-CB 4.09Å; L289-F637 HydrophobicContact CB-CB 4.15Å; L289-F637 HydrophobicContact CB-CD2 3.97Å; L289-F637 HydrophobicContact CB-CG 4.35Å; L289-F637 HydrophobicContact CD1-CB 4.1Å; L289-F637 HydrophobicContact CD2-CB 4.38Å; L289-F637 HydrophobicContact CD2-CD2 4.08Å; L289-F637 HydrophobicContact CD2-CG 4.13Å; L289-F637 HydrophobicContact CG-CB 4.44Å; L289-F637 WeakPolarHBondContact O-CD2 3.41Å
290	M	97.3	Very high	93.1	Very high	26 Å²	26	36.7 Å²	36.7	13%	0.128	18%	0.175	C	C	.	.	H	α-helix	trans	-63.4	-41.2	171.5	-178.5	58.2	178.9	0	0	112	Q286 I287 F288 V292 N293 M294 W297 F308 L321 W400	Q286-M290 PolarHBondContact O-N 3.11Å; I287-M290 WeakPolarHBondContact O-CB 3.4Å; I287-M290 PolarHBondContact O-N 3.5Å; F288-M290 VanDerWaalsContact C-N 3.27Å; F288-M290 PolarHBondContact O-N 3.46Å; M290-V292 VanDerWaalsContact C-N 3.31Å; M290-V292 PolarHBondContact O-N 3.48Å; M290-N293 WeakPolarHBondContact O-CB 3.3Å; M290-N293 PolarHBondContact O-N 2.85Å; M290-N293 HydrophobicContact SD-CB 4.46Å; M290-M294 HydrophobicContact CE-CG 4.23Å; M290-M294 HydrophobicContact CE-SD 4.46Å; M290-M294 WeakPolarHBondContact O-CG 3.46Å; M290-M294 PolarHBondContact O-N 3.44Å; M290-W297 HydrophobicContact CE-CH2 3.88Å; M290-W297 HydrophobicContact CE-CZ3 3.62Å; M290-W297 HydrophobicContact SD-CH2 3.81Å; M290-W297 HydrophobicContact SD-CZ3 3.97Å; M290-F308 HydrophobicContact CE-CE2 3.96Å; M290-F308 HydrophobicContact CE-CZ 4.05Å; M290-L321 HydrophobicContact CB-CD2 4.23Å; M290-L321 HydrophobicContact CG-CD2 3.85Å; M290-W400 HydrophobicContact CE-CH2 3.53Å; M290-W400 HydrophobicContact CE-CZ2 3.61Å; M290-W400 HydrophobicContact CE-CZ3 4.45Å; M290-W400 HydrophobicContact CG-CH2 4.3Å; M290-W400 HydrophobicContact SD-CH2 3.64Å; M290-W400 HydrophobicContact SD-CZ2 3.49Å; M290-W400 WeakPolarHBondContact SD-CZ2 3.49Å
291	G	96.8	Very high	91.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-59.9	-39.7	172.6	0	0	0	0	0	112.9	I287 F288 M294 Y295	I287-G291 PolarHBondContact O-N 3.44Å; F288-G291 WeakPolarHBondContact O-CA 3.49Å; F288-G291 PolarHBondContact O-N 3.47Å; G291-M294 PolarHBondContact O-N 3.43Å; G291-Y295 PolarHBondContact O-N 3.12Å
292	V	97.3	Very high	90.6	Very high	47 Å²	47	34.4 Å²	34.4	29%	0.285	17%	0.166	S	C	.	.	H	α-helix	trans	-66.6	-39.9	174.7	-179.2	0	0	0	0	111.6	F288 L289 M290 Y295 G296 L322 F637	F288-V292 HydrophobicContact CD1-CG2 4.28Å; F288-V292 HydrophobicContact CE1-CG2 3.84Å; F288-V292 HydrophobicContact CZ-CG2 4.11Å; F288-V292 PolarHBondContact O-N 3.43Å; L289-V292 PolarHBondContact O-N 2.94Å; M290-V292 VanDerWaalsContact C-N 3.31Å; M290-V292 PolarHBondContact O-N 3.48Å; V292-Y295 WeakPolarHBondContact O-CB 3.47Å; V292-Y295 PolarHBondContact O-N 3.05Å; V292-G296 PolarHBondContact O-N 3.41Å; V292-L322 HydrophobicContact CG2-CD2 4.12Å; V292-F637 HydrophobicContact CB-CE2 3.98Å; V292-F637 HydrophobicContact CG1-CE2 3.78Å; V292-F637 HydrophobicContact CG1-CZ 4.01Å
293	N	97.3	Very high	89.7	Confident	1 Å²	1	35.2 Å²	35.2	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-58.9	-48.1	173.2	-90.5	-39.2	0	0	0	111.6	L289 M290 Y295 G296 W297 F637 N640 Y641	L289-N293 PolarHBondContact O-N 3.39Å; M290-N293 WeakPolarHBondContact O-CB 3.3Å; M290-N293 PolarHBondContact O-N 2.85Å; M290-N293 HydrophobicContact SD-CB 4.46Å; N293-Y295 VanDerWaalsContact C-N 3.33Å; N293-Y295 PolarHBondContact O-N 3.38Å; N293-G296 PolarHBondContact O-N 3.33Å; N293-G296 VanDerWaalsContact O-N 3.11Å; N293-W297 HydrophobicContact CB-CD2 4.41Å; N293-W297 HydrophobicContact CB-CE3 4.4Å; N293-W297 HydrophobicContact CB-CH2 3.67Å; N293-W297 HydrophobicContact CB-CZ2 3.71Å; N293-W297 HydrophobicContact CB-CZ3 4.04Å; N293-W297 VanDerWaalsContact O-CD2 3.3Å; N293-W297 VanDerWaalsContact O-CG 3.28Å; N293-W297 PolarHBondContact O-N 2.99Å; N293-F637 HydrophobicContact CB-CE2 4.43Å; N293-F637 VanDerWaalsContact CG-CD2 3.49Å; N293-F637 WeakPolarHBondContact ND2-CD2 3.33Å; N293-F637 PolarHBondContact ND2-O 3.43Å; N293-F637 WeakPolarHBondContact OD1-CD2 3.47Å; N293-F637 WeakPolarHBondContact OD1-CE2 3.24Å; N293-F637 PolarHBondContact OD1-O 3.39Å; N293-N640 WeakPolarHBondContact ND2-CB 3.4Å; N293-Y641 WeakPolarHBondContact OD1-CD2 3.22Å
294	M	93.5	Very high	88.9	Confident	16 Å²	16	33.8 Å²	33.8	8%	0.079	16%	0.163	C	C	.	.	H	α-helix	trans	-57.8	-44.6	177	-71.2	173.9	62.6	0	0	112.3	M290 G291 G296 W297 Q298 L316 L321	M290-M294 HydrophobicContact CE-CG 4.23Å; M290-M294 HydrophobicContact CE-SD 4.46Å; M290-M294 WeakPolarHBondContact O-CG 3.46Å; M290-M294 PolarHBondContact O-N 3.44Å; G291-M294 PolarHBondContact O-N 3.43Å; M294-G296 VanDerWaalsContact C-N 3.32Å; M294-G296 PolarHBondContact O-N 3.36Å; M294-W297 HydrophobicContact CB-CE3 4.4Å; M294-W297 HydrophobicContact CG-CE3 4.03Å; M294-W297 HydrophobicContact CG-CZ3 3.91Å; M294-W297 PolarHBondContact O-N 3.21Å; M294-Q298 WeakPolarHBondContact O-CB 3.24Å; M294-Q298 PolarHBondContact O-N 3.12Å; M294-L316 WeakPolarHBondContact CE-O 3.45Å; M294-L321 HydrophobicContact SD-CB 4.43Å; M294-L321 HydrophobicContact SD-CD2 3.37Å; M294-L321 WeakPolarHBondContact SD-CD2 3.34Å
295	Y	91.9	Very high	88.1	Confident	90 Å²	90	34.3 Å²	34.3	35%	0.353	17%	0.166	S	C	.	.	H	α-helix	trans	-55.3	-48.6	173.9	168.8	-107.6	0	0	0	111.7	G291 V292 N293 R299 Y318	G291-Y295 PolarHBondContact O-N 3.12Å; V292-Y295 WeakPolarHBondContact O-CB 3.47Å; V292-Y295 PolarHBondContact O-N 3.05Å; N293-Y295 VanDerWaalsContact C-N 3.33Å; N293-Y295 PolarHBondContact O-N 3.38Å; Y295-R299 WeakPolarHBondContact O-CB 3.33Å; Y295-R299 PolarHBondContact O-N 3.38Å; Y295-R299 PolarHBondContact OH-NH1 2.84Å; Y295-Y318 AromaticContact CD2-CD2 3.96Å; Y295-Y318 HydrophobicContact CD2-CD2 3.96Å; Y295-Y318 HydrophobicContact CD2-CE1 4.37Å; Y295-Y318 AromaticContact CD2-CE2 3.49Å; Y295-Y318 HydrophobicContact CD2-CE2 3.49Å; Y295-Y318 VanDerWaalsContact CD2-CE2 3.49Å; Y295-Y318 AromaticContact CD2-CZ 3.7Å; Y295-Y318 HydrophobicContact CE2-CE2 4.34Å; Y295-Y318 HydrophobicContact CG-CD2 4.24Å; Y295-Y318 HydrophobicContact CG-CE2 4.18Å
296	G	87.2	Confident	87.1	Confident	8 Å²	8	36.5 Å²	36.5	8%	0.082	17%	0.173	C	C	.	.	H	α-helix	trans	-69.6	-33.6	-178.5	0	0	0	0	0	113.5	V292 N293 M294 K300 Y641	V292-G296 PolarHBondContact O-N 3.41Å; N293-G296 PolarHBondContact O-N 3.33Å; N293-G296 VanDerWaalsContact O-N 3.11Å; M294-G296 VanDerWaalsContact C-N 3.32Å; M294-G296 PolarHBondContact O-N 3.36Å; G296-K300 WeakPolarHBondContact O-CB 3.32Å; G296-K300 VanDerWaalsContact O-CG 3.29Å; G296-K300 WeakPolarHBondContact O-CG 3.47Å; G296-K300 PolarHBondContact O-N 3.04Å; G296-Y641 PolarHBondContact O-OH 2.96Å
297	W	84.7	Confident	86.2	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-65.4	-50.5	173	-67.9	-32.5	0	0	0	111.7	M290 N293 M294 R299 K300 G301 V302 H304 F308 N640 Y641 L644	M290-W297 HydrophobicContact CE-CH2 3.88Å; M290-W297 HydrophobicContact CE-CZ3 3.62Å; M290-W297 HydrophobicContact SD-CH2 3.81Å; M290-W297 HydrophobicContact SD-CZ3 3.97Å; N293-W297 HydrophobicContact CB-CD2 4.41Å; N293-W297 HydrophobicContact CB-CE3 4.4Å; N293-W297 HydrophobicContact CB-CH2 3.67Å; N293-W297 HydrophobicContact CB-CZ2 3.71Å; N293-W297 HydrophobicContact CB-CZ3 4.04Å; N293-W297 VanDerWaalsContact O-CD2 3.3Å; N293-W297 VanDerWaalsContact O-CG 3.28Å; N293-W297 PolarHBondContact O-N 2.99Å; M294-W297 HydrophobicContact CB-CE3 4.4Å; M294-W297 HydrophobicContact CG-CE3 4.03Å; M294-W297 HydrophobicContact CG-CZ3 3.91Å; M294-W297 PolarHBondContact O-N 3.21Å; W297-R299 PolarHBondContact O-N 2.93Å; W297-K300 CarbonylContact O-C 3.2Å; W297-K300 PolarHBondContact O-N 2.94Å; W297-K300 VanDerWaalsContact O-N 3.07Å; W297-G301 PolarHBondContact O-N 3Å; W297-V302 HydrophobicContact CB-CB 3.86Å; W297-V302 HydrophobicContact CB-CG1 4.22Å; W297-V302 HydrophobicContact CG-CB 4.23Å; W297-V302 HydrophobicContact CG-CG1 4.17Å; W297-V302 PolarHBondContact O-N 3.16Å; W297-H304 HydrophobicContact CB-CB 4.44Å; W297-H304 HydrophobicContact CD2-CB 4.27Å; W297-H304 HydrophobicContact CE3-CB 3.7Å; W297-H304 AromaticContact CE3-CG 3.92Å; W297-H304 HydrophobicContact CZ3-CB 4.4Å; W297-F308 HydrophobicContact CH2-CE2 4.41Å; W297-F308 HydrophobicContact CZ3-CE2 4.11Å; W297-N640 HydrophobicContact CH2-CB 4.48Å; W297-N640 HydrophobicContact CZ2-CB 4.08Å; W297-N640 WeakPolarHBondContact CZ2-O 3.33Å; W297-Y641 AromaticContact NE1-CD2 3.93Å; W297-Y641 PolarHBondContact NE1-O 3.46Å; W297-L644 HydrophobicContact CD2-CB 4.41Å; W297-L644 HydrophobicContact CD2-CD2 3.67Å; W297-L644 HydrophobicContact CE3-CD2 3.63Å; W297-L644 HydrophobicContact CG-CD2 4.46Å; W297-L644 HydrophobicContact CH2-CD1 4.34Å; W297-L644 HydrophobicContact CH2-CD2 3.66Å; W297-L644 HydrophobicContact CH2-CG 4.41Å; W297-L644 HydrophobicContact CZ2-CB 3.79Å; W297-L644 HydrophobicContact CZ2-CD1 4.21Å; W297-L644 HydrophobicContact CZ2-CD2 3.64Å; W297-L644 HydrophobicContact CZ2-CG 4.07Å; W297-L644 HydrophobicContact CZ3-CD2 3.65Å
298	Q	80.1	Confident	85.7	Confident	37 Å²	37	34.5 Å²	34.5	17%	0.173	16%	0.162	C	C	.	.	H	α-helix	trans	-61.6	-44	180	-173.4	176	2.7	0	0	111.7	M294 K300 G301 Y318	M294-Q298 WeakPolarHBondContact O-CB 3.24Å; M294-Q298 PolarHBondContact O-N 3.12Å; Q298-K300 PolarHBondContact O-N 2.94Å; Q298-K300 VanDerWaalsContact O-N 3.13Å; Q298-G301 PolarHBondContact O-N 3.35Å; Q298-G301 VanDerWaalsContact O-N 3.13Å; Q298-Y318 VanDerWaalsContact OE1-CE1 3.29Å
299	R	77.8	Confident	84.7	Confident	177 Å²	177	37.6 Å²	37.6	67%	0.668	18%	0.178	S	C	*	.	H	α-helix	trans	-61.2	-24.3	177	-173.3	172.8	178.6	177.8	-2.5	113.1	Y295 W297	Y295-R299 WeakPolarHBondContact O-CB 3.33Å; Y295-R299 PolarHBondContact O-N 3.38Å; Y295-R299 PolarHBondContact OH-NH1 2.84Å; W297-R299 PolarHBondContact O-N 2.93Å
300	K	74.2	Confident	83.7	Confident	77 Å²	77	38 Å²	38	34%	0.335	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	4.1	-179	-64.7	-66.3	-174.1	-174.8	0	113.3	G296 W297 Q298 V302 V586 Y587	G296-K300 WeakPolarHBondContact O-CB 3.32Å; G296-K300 VanDerWaalsContact O-CG 3.29Å; G296-K300 WeakPolarHBondContact O-CG 3.47Å; G296-K300 PolarHBondContact O-N 3.04Å; W297-K300 CarbonylContact O-C 3.2Å; W297-K300 PolarHBondContact O-N 2.94Å; W297-K300 VanDerWaalsContact O-N 3.07Å; Q298-K300 PolarHBondContact O-N 2.94Å; Q298-K300 VanDerWaalsContact O-N 3.13Å; K300-V302 VanDerWaalsContact C-N 3.31Å; K300-V586 HydrophobicContact CB-CG1 4.06Å; K300-V586 VanDerWaalsContact O-CG1 3.29Å; K300-V586 WeakPolarHBondContact O-CG1 3.32Å; K300-Y587 HydrophobicContact CB-CD1 4.24Å; K300-Y587 HydrophobicContact CB-CE1 3.91Å; K300-Y587 HydrophobicContact CD-CD1 4.15Å; K300-Y587 HydrophobicContact CG-CD1 3.81Å; K300-Y587 HydrophobicContact CG-CE1 3.76Å
301	G	69.9	Low	82.4	Confident	13 Å²	13	40.4 Å²	40.4	13%	0.134	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.3	24.6	178.8	0	0	0	0	0	114	W297 Q298 N303	W297-G301 PolarHBondContact O-N 3Å; Q298-G301 PolarHBondContact O-N 3.35Å; Q298-G301 VanDerWaalsContact O-N 3.13Å; G301-N303 PolarHBondContact O-N 2.85Å
302	V	73.4	Confident	81	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.006	22%	0.222	C	C	.	.			trans	-79.4	111.5	170.9	175.6	0	0	0	0	107.6	W297 K300 H304 I307 V586 H648	W297-V302 HydrophobicContact CB-CB 3.86Å; W297-V302 HydrophobicContact CB-CG1 4.22Å; W297-V302 HydrophobicContact CG-CB 4.23Å; W297-V302 HydrophobicContact CG-CG1 4.17Å; W297-V302 PolarHBondContact O-N 3.16Å; K300-V302 VanDerWaalsContact C-N 3.31Å; V302-H304 PolarHBondContact O-N 3.48Å; V302-H304 PolarHBondContact O-ND1 3.35Å; V302-H304 VanDerWaalsContact O-ND1 3.16Å; V302-I307 HydrophobicContact CG1-CD1 4.42Å; V302-V586 HydrophobicContact CG2-CG1 4.19Å; V302-H648 HydrophobicContact CG1-CB 4.01Å
303	N	76.5	Confident	79.5	Confident	25 Å²	25	49.8 Å²	49.8	13%	0.134	24%	0.236	C	C	.	.			trans	-74.5	68.4	-177.4	-168.3	-15	0	0	0	111.8	G301 V305 L306 I307	G301-N303 PolarHBondContact O-N 2.85Å; N303-V305 VanDerWaalsContact C-N 3.31Å; N303-V305 PolarHBondContact O-N 2.8Å; N303-L306 HydrophobicContact CB-CB 4.5Å; N303-L306 PolarHBondContact O-N 2.85Å; N303-L306 VanDerWaalsContact OD1-CB 3.24Å; N303-L306 WeakPolarHBondContact OD1-CB 3.27Å; N303-L306 PolarHBondContact OD1-N 2.99Å; N303-L306 VanDerWaalsContact OD1-N 3.16Å; N303-I307 WeakPolarHBondContact O-CG1 3.42Å; N303-I307 PolarHBondContact O-N 3.01Å
304	H	81.6	Confident	78.3	Confident	11 Å²	11	58.4 Å²	58.4	5%	0.051	27%	0.268	C	S	.	.	H	α-helix	trans	-65.4	-32.8	-178.3	62.1	-78.5	0	0	0	112.4	W297 V302 L306 I307 F308 L644	W297-H304 HydrophobicContact CB-CB 4.44Å; W297-H304 HydrophobicContact CD2-CB 4.27Å; W297-H304 HydrophobicContact CE3-CB 3.7Å; W297-H304 AromaticContact CE3-CG 3.92Å; W297-H304 HydrophobicContact CZ3-CB 4.4Å; V302-H304 PolarHBondContact O-N 3.48Å; V302-H304 PolarHBondContact O-ND1 3.35Å; V302-H304 VanDerWaalsContact O-ND1 3.16Å; H304-L306 VanDerWaalsContact C-N 3.33Å; H304-L306 PolarHBondContact O-N 3.42Å; H304-I307 PolarHBondContact O-N 3.25Å; H304-F308 HydrophobicContact CB-CD2 4.39Å; H304-F308 WeakPolarHBondContact O-CB 3.37Å; H304-F308 VanDerWaalsContact O-CD2 3.23Å; H304-F308 WeakPolarHBondContact O-CD2 3.41Å; H304-F308 PolarHBondContact O-N 2.98Å; H304-L644 HydrophobicContact CB-CD2 3.55Å
305	V	81.6	Confident	77.6	Confident	13 Å²	13	59.5 Å²	59.5	8%	0.079	27%	0.273	C	S	.	.	H	α-helix	trans	-57.9	-46.8	176.9	178.1	0	0	0	0	110.7	N303 E309 I310 P312	N303-V305 VanDerWaalsContact C-N 3.31Å; N303-V305 PolarHBondContact O-N 2.8Å; V305-E309 PolarHBondContact O-N 2.86Å; V305-I310 HydrophobicContact CG1-CB 4.14Å; V305-I310 WeakPolarHBondContact CG1-O 3.43Å; V305-I310 PolarHBondContact O-N 3.01Å; V305-P312 HydrophobicContact CG1-CB 4.23Å
306	L	75.7	Confident	77.4	Confident	80 Å²	80	56.8 Å²	56.8	42%	0.419	26%	0.264	S	S	.	.	H	α-helix	trans	-67.5	-42.6	176.3	-179.4	62.7	0	0	0	112.5	N303 H304 F308 E309 A657	N303-L306 HydrophobicContact CB-CB 4.5Å; N303-L306 PolarHBondContact O-N 2.85Å; N303-L306 VanDerWaalsContact OD1-CB 3.24Å; N303-L306 WeakPolarHBondContact OD1-CB 3.27Å; N303-L306 PolarHBondContact OD1-N 2.99Å; N303-L306 VanDerWaalsContact OD1-N 3.16Å; H304-L306 VanDerWaalsContact C-N 3.33Å; H304-L306 PolarHBondContact O-N 3.42Å; L306-F308 VanDerWaalsContact C-N 3.27Å; L306-F308 PolarHBondContact O-N 3.17Å; L306-E309 PolarHBondContact O-N 3.14Å; L306-A657 HydrophobicContact CD2-CB 3.48Å; L306-A657 VanDerWaalsContact CD2-CB 3.48Å
307	I	79.9	Confident	77.5	Confident	7 Å²	7	57.5 Å²	57.5	4%	0.036	27%	0.267	C	S	.	.	H	α-helix	trans	-61.9	-37.8	-179.6	-67.9	166.2	0	0	0	111.4	V302 N303 H304 E309 F396 L644 E647 H648	V302-I307 HydrophobicContact CG1-CD1 4.42Å; N303-I307 WeakPolarHBondContact O-CG1 3.42Å; N303-I307 PolarHBondContact O-N 3.01Å; H304-I307 PolarHBondContact O-N 3.25Å; I307-E309 PolarHBondContact O-N 3.43Å; I307-F396 HydrophobicContact CG2-CD1 3.71Å; I307-F396 HydrophobicContact CG2-CD2 4.26Å; I307-F396 HydrophobicContact CG2-CE1 3.46Å; I307-F396 VanDerWaalsContact CG2-CE1 3.46Å; I307-F396 HydrophobicContact CG2-CE2 4.07Å; I307-F396 HydrophobicContact CG2-CG 4.13Å; I307-F396 HydrophobicContact CG2-CZ 3.67Å; I307-F396 WeakPolarHBondContact O-CD1 3.45Å; I307-L644 HydrophobicContact CD1-CG 4.42Å; I307-L644 HydrophobicContact CG2-CG 4.37Å; I307-E647 HydrophobicContact CG2-CG 4Å; I307-H648 HydrophobicContact CD1-CB 3.75Å
308	F	86.4	Confident	77.9	Confident	4 Å²	4	58.7 Å²	58.7	2%	0.018	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	6.5	175.5	-75.6	-66.6	0	0	0	113.9	M290 W297 H304 L306 I310 W378 F396 P397 W400 L644	M290-F308 HydrophobicContact CE-CE2 3.96Å; M290-F308 HydrophobicContact CE-CZ 4.05Å; W297-F308 HydrophobicContact CH2-CE2 4.41Å; W297-F308 HydrophobicContact CZ3-CE2 4.11Å; H304-F308 HydrophobicContact CB-CD2 4.39Å; H304-F308 WeakPolarHBondContact O-CB 3.37Å; H304-F308 VanDerWaalsContact O-CD2 3.23Å; H304-F308 WeakPolarHBondContact O-CD2 3.41Å; H304-F308 PolarHBondContact O-N 2.98Å; L306-F308 VanDerWaalsContact C-N 3.27Å; L306-F308 PolarHBondContact O-N 3.17Å; F308-I310 HydrophobicContact CB-CD1 3.62Å; F308-I310 HydrophobicContact CB-CG1 3.65Å; F308-I310 HydrophobicContact CG-CD1 4.46Å; F308-I310 WeakPolarHBondContact O-CG1 3.41Å; F308-I310 PolarHBondContact O-N 3.35Å; F308-W378 HydrophobicContact CB-CZ2 4.46Å; F308-F396 HydrophobicContact CD1-CD1 4.05Å; F308-F396 HydrophobicContact CD1-CE1 4.1Å; F308-F396 HydrophobicContact CE1-CD1 4.11Å; F308-F396 AromaticContact CE1-CE1 3.76Å; F308-F396 HydrophobicContact CE1-CE1 3.76Å; F308-F396 HydrophobicContact CZ-CE1 4.18Å; F308-P397 HydrophobicContact CD1-CB 4.43Å; F308-P397 HydrophobicContact CD1-CG 4.28Å; F308-P397 WeakPolarHBondContact O-CG 3.5Å; F308-W400 HydrophobicContact CE1-CB 4.1Å; F308-W400 AromaticContact CE1-CD2 3.39Å; F308-W400 HydrophobicContact CE1-CD2 3.39Å; F308-W400 AromaticContact CE1-CE2 3.89Å; F308-W400 AromaticContact CE1-CE3 3.58Å; F308-W400 HydrophobicContact CE1-CE3 3.58Å; F308-W400 AromaticContact CE1-CG 3.61Å; F308-W400 HydrophobicContact CE1-CG 3.61Å; F308-W400 HydrophobicContact CE1-CZ2 4.49Å; F308-W400 HydrophobicContact CE1-CZ3 4.21Å; F308-W400 AromaticContact CZ-CD2 3.63Å; F308-W400 HydrophobicContact CZ-CD2 3.63Å; F308-W400 AromaticContact CZ-CE2 3.59Å; F308-W400 HydrophobicContact CZ-CE3 4.07Å; F308-W400 AromaticContact CZ-CG 3.97Å; F308-W400 HydrophobicContact CZ-CG 3.97Å; F308-W400 HydrophobicContact CZ-CH2 4.41Å; F308-W400 HydrophobicContact CZ-CZ2 4.01Å; F308-W400 HydrophobicContact CZ-CZ3 4.43Å; F308-W400 AromaticContact CZ-NE1 3.87Å; F308-L644 HydrophobicContact CD2-CD2 4.34Å; F308-L644 HydrophobicContact CE2-CD1 4.08Å; F308-L644 HydrophobicContact CE2-CD2 3.6Å; F308-L644 HydrophobicContact CE2-CG 4.44Å; F308-L644 HydrophobicContact CZ-CD1 3.87Å; F308-L644 HydrophobicContact CZ-CD2 4.25Å
309	E	77.6	Confident	78.5	Confident	123 Å²	123	57.5 Å²	57.5	58%	0.575	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	35.3	-179.3	-57.5	176.7	-165.6	0	0	112.5	V305 L306 I307	V305-E309 PolarHBondContact O-N 2.86Å; L306-E309 PolarHBondContact O-N 3.14Å; I307-E309 PolarHBondContact O-N 3.43Å
310	I	76.4	Confident	79.2	Confident	43 Å²	43	51.5 Å²	51.5	22%	0.221	25%	0.246	C	C	.	.			trans	-92	142.5	179.9	-51.8	173.9	0	0	0	109	V305 F308 P312 H315 W378	V305-I310 HydrophobicContact CG1-CB 4.14Å; V305-I310 WeakPolarHBondContact CG1-O 3.43Å; V305-I310 PolarHBondContact O-N 3.01Å; F308-I310 HydrophobicContact CB-CD1 3.62Å; F308-I310 HydrophobicContact CB-CG1 3.65Å; F308-I310 HydrophobicContact CG-CD1 4.46Å; F308-I310 WeakPolarHBondContact O-CG1 3.41Å; F308-I310 PolarHBondContact O-N 3.35Å; I310-P312 WeakPolarHBondContact O-CD 3.29Å; I310-H315 HydrophobicContact CG2-CB 3.45Å; I310-H315 VanDerWaalsContact CG2-CB 3.45Å; I310-W378 HydrophobicContact CD1-CZ2 4.3Å; I310-W378 HydrophobicContact CG1-CZ2 4.27Å
311	D	70.5	Confident	80.2	Confident	76 Å²	76	49.1 Å²	49.1	41%	0.406	24%	0.237	S	C	.	.			trans	-63	118.5	173.6	-177.6	-3.3	0	0	0	110.5	R313 R314	D311-R313 PolarHBondContact O-N 2.86Å; D311-R313 VanDerWaalsContact O-N 3.1Å; D311-R313 VanDerWaalsContact OD1-CB 3.3Å; D311-R313 WeakPolarHBondContact OD1-CB 3.2Å; D311-R313 PolarHBondContact OD1-N 3.5Å; D311-R314 HydrophobicContact CB-CB 4.47Å; D311-R314 CarbonylContact O-C 3.54Å; D311-R314 PolarHBondContact O-N 3.43Å
312	P	67.3	Low	81.4	Confident	94 Å²	94	49.4 Å²	49.4	61%	0.61	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-15.8	177.4	27.6	-36.1	0	0	0	113.3	V305 I310 H315	V305-P312 HydrophobicContact CG1-CB 4.23Å; I310-P312 WeakPolarHBondContact O-CD 3.29Å; P312-H315 PolarHBondContact O-CD2 2.93Å; P312-H315 VanDerWaalsContact O-CD2 3.29Å; P312-H315 PolarHBondContact O-NE2 2.92Å
313	R	65.6	Low	82.5	Confident	150 Å²	150	50.4 Å²	50.4	57%	0.566	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-19.6	175.9	-59.2	177.2	174.9	175.4	-1.3	112.7	D140 D311	D140-R313 IonicContact OD1-CZ 2.8Å; D140-R313 IonicContact OD1-NH1 3.53Å; D140-R313 PolarHBondContact OD1-NH1 2.97Å; D140-R313 IonicContact OD1-NH2 2.92Å; D140-R313 PolarHBondContact OD1-NH2 2.71Å; D140-R313 IonicContact OD2-NH1 3.33Å; D311-R313 PolarHBondContact O-N 2.86Å; D311-R313 VanDerWaalsContact O-N 3.1Å; D311-R313 VanDerWaalsContact OD1-CB 3.3Å; D311-R313 WeakPolarHBondContact OD1-CB 3.2Å; D311-R313 PolarHBondContact OD1-N 3.5Å
314	R	71.6	Confident	83.4	Confident	182 Å²	182	50.1 Å²	50.1	69%	0.687	24%	0.238	S	C	*	.	S	Bend	trans	-147.4	66.5	-168.9	-65.4	-174.3	178	-170	-0.2	111.6	D311	D311-R314 HydrophobicContact CB-CB 4.47Å; D311-R314 CarbonylContact O-C 3.54Å; D311-R314 PolarHBondContact O-N 3.43Å
315	H	80.2	Confident	84.1	Confident	38 Å²	38	49.6 Å²	49.6	18%	0.176	24%	0.235	C	C	.	.			trans	-126.9	164.9	174.4	68.2	84.6	0	0	0	111.2	E232 I310 P312	E232-H315 VanDerWaalsContact CD-CE1 3.47Å; E232-H315 IonicContact OE1-CE1 3.21Å; E232-H315 PolarHBondContact OE1-CE1 3.34Å; E232-H315 IonicContact OE1-ND1 2.86Å; E232-H315 IonicContact OE1-NE2 2.64Å; I310-H315 HydrophobicContact CG2-CB 3.45Å; I310-H315 VanDerWaalsContact CG2-CB 3.45Å; P312-H315 PolarHBondContact O-CD2 2.93Å; P312-H315 VanDerWaalsContact O-CD2 3.29Å; P312-H315 PolarHBondContact O-NE2 2.92Å
316	L	87.8	Confident	84.8	Confident	34 Å²	34	49 Å²	49	18%	0.178	23%	0.231	C	C	.	.			trans	-77.8	136.3	170	-76.5	166.7	0	0	0	109.2	M294 Q320 I324 A372 S375	M294-L316 WeakPolarHBondContact CE-O 3.45Å; L316-Q320 HydrophobicContact CD2-CB 3.75Å; L316-I324 HydrophobicContact CD1-CD1 4.18Å; L316-I324 HydrophobicContact CD2-CD1 4.12Å; L316-A372 HydrophobicContact CD1-CB 4.47Å; L316-A372 HydrophobicContact CD2-CB 3.79Å; L316-A372 HydrophobicContact CG-CB 4.42Å; L316-S375 WeakPolarHBondContact CG-OG 3.44Å
317	T	89	Confident	85.8	Confident	22 Å²	22	47.1 Å²	47.1	14%	0.135	22%	0.221	C	C	.	.			trans	-76.3	160.8	166.7	74.4	0	0	0	0	109.8	E232 Q319 Q320 L321	E232-T317 HydrophobicContact CG-CG2 4.47Å; E232-T317 WeakPolarHBondContact OE2-CB 3.5Å; E232-T317 WeakPolarHBondContact OE2-CG2 3.12Å; T317-Q319 PolarHBondContact O-N 3.31Å; T317-Q320 PolarHBondContact O-N 3.35Å; T317-Q320 WeakPolarHBondContact OG1-CG 3.34Å; T317-Q320 PolarHBondContact OG1-N 2.82Å; T317-L321 PolarHBondContact O-N 3.34Å
318	Y	92	Very high	86.7	Confident	25 Å²	25	47.3 Å²	47.3	10%	0.098	22%	0.222	C	C	.	.	H	α-helix	trans	-58.9	-35.6	175.6	72.2	-85.5	0	0	0	112.2	Q234 Y295 Q298 L321 L322	Q234-Y318 PolarHBondContact NE2-OH 2.9Å; Y295-Y318 AromaticContact CD2-CD2 3.96Å; Y295-Y318 HydrophobicContact CD2-CD2 3.96Å; Y295-Y318 HydrophobicContact CD2-CE1 4.37Å; Y295-Y318 AromaticContact CD2-CE2 3.49Å; Y295-Y318 HydrophobicContact CD2-CE2 3.49Å; Y295-Y318 VanDerWaalsContact CD2-CE2 3.49Å; Y295-Y318 AromaticContact CD2-CZ 3.7Å; Y295-Y318 HydrophobicContact CE2-CE2 4.34Å; Y295-Y318 HydrophobicContact CG-CD2 4.24Å; Y295-Y318 HydrophobicContact CG-CE2 4.18Å; Q298-Y318 VanDerWaalsContact OE1-CE1 3.29Å; Y318-L321 PolarHBondContact O-N 2.92Å; Y318-L322 HydrophobicContact CD2-CD1 4.06Å; Y318-L322 WeakPolarHBondContact O-CB 3.42Å; Y318-L322 VanDerWaalsContact O-CG 3.23Å; Y318-L322 WeakPolarHBondContact O-CG 3.43Å; Y318-L322 PolarHBondContact O-N 3.31Å
319	Q	92.9	Very high	87.3	Confident	13 Å²	13	47.6 Å²	47.6	6%	0.061	22%	0.224	C	C	.	.	H	α-helix	trans	-66	-41.6	178	-65.8	-177.1	-39.1	0	0	111.8	T238 T239 L242 T317 L322 E323	T238-Q319 HydrophobicContact CG2-CB 3.9Å; T239-Q319 PolarHBondContact OG1-NE2 3.32Å; T239-Q319 VanDerWaalsContact OG1-NE2 3.14Å; L242-Q319 HydrophobicContact CD2-CB 4.44Å; T317-Q319 PolarHBondContact O-N 3.31Å; Q319-L322 PolarHBondContact O-N 2.86Å; Q319-E323 WeakPolarHBondContact O-CB 3.44Å; Q319-E323 PolarHBondContact O-N 2.95Å
320	Q	93.3	Very high	88.2	Confident	51 Å²	51	42.6 Å²	42.6	24%	0.238	20%	0.201	C	C	.	.	H	α-helix	trans	-66.7	-38.5	177	-69.4	172.1	-28.9	0	0	111.4	T238 L316 T317 E323 I324	T238-Q320 HydrophobicContact CG2-CG 3.76Å; L316-Q320 HydrophobicContact CD2-CB 3.75Å; T317-Q320 PolarHBondContact O-N 3.35Å; T317-Q320 WeakPolarHBondContact OG1-CG 3.34Å; T317-Q320 PolarHBondContact OG1-N 2.82Å; Q320-E323 WeakPolarHBondContact O-CB 3.26Å; Q320-E323 PolarHBondContact O-N 3.43Å; Q320-I324 WeakPolarHBondContact O-CD1 3.47Å; Q320-I324 VanDerWaalsContact O-CG1 3.28Å; Q320-I324 WeakPolarHBondContact O-CG1 3.44Å; Q320-I324 PolarHBondContact O-N 3.01Å
321	L	94.4	Very high	89.3	Confident	27 Å²	27	42 Å²	42	14%	0.141	20%	0.2	C	C	.	.	H	α-helix	trans	-66	-43	175.6	-172.6	63.2	0	0	0	111.6	I287 M290 M294 T317 Y318 I324 S325	I287-L321 HydrophobicContact CG2-CD1 3.81Å; I287-L321 HydrophobicContact CG2-CG 4.23Å; M290-L321 HydrophobicContact CB-CD2 4.23Å; M290-L321 HydrophobicContact CG-CD2 3.85Å; M294-L321 HydrophobicContact SD-CB 4.43Å; M294-L321 HydrophobicContact SD-CD2 3.37Å; M294-L321 WeakPolarHBondContact SD-CD2 3.34Å; T317-L321 PolarHBondContact O-N 3.34Å; Y318-L321 PolarHBondContact O-N 2.92Å; L321-I324 PolarHBondContact O-N 3.36Å; L321-S325 PolarHBondContact O-N 3Å; L321-S325 PolarHBondContact O-OG 2.86Å
322	L	96.7	Very high	90.6	Very high	18 Å²	18	39.4 Å²	39.4	9%	0.094	18%	0.184	C	C	.	.	H	α-helix	trans	-61.4	-43.8	173.6	-70.1	170.3	0	0	0	111	L242 F288 V292 Y318 Q319 I324 S325 T326	L242-L322 HydrophobicContact CD1-CB 3.64Å; L242-L322 HydrophobicContact CD2-CB 4.01Å; L242-L322 HydrophobicContact CD2-CD1 4.3Å; L242-L322 HydrophobicContact CG-CB 4.5Å; F288-L322 HydrophobicContact CD2-CD2 3.53Å; F288-L322 HydrophobicContact CE2-CD2 3.49Å; F288-L322 VanDerWaalsContact CE2-CD2 3.49Å; F288-L322 HydrophobicContact CG-CD2 4.23Å; F288-L322 HydrophobicContact CZ-CD2 4.2Å; F288-L322 WeakPolarHBondContact O-CD2 3.35Å; V292-L322 HydrophobicContact CG2-CD2 4.12Å; Y318-L322 HydrophobicContact CD2-CD1 4.06Å; Y318-L322 WeakPolarHBondContact O-CB 3.42Å; Y318-L322 VanDerWaalsContact O-CG 3.23Å; Y318-L322 WeakPolarHBondContact O-CG 3.43Å; Y318-L322 PolarHBondContact O-N 3.31Å; Q319-L322 PolarHBondContact O-N 2.86Å; L322-I324 PolarHBondContact O-N 3.28Å; L322-S325 WeakPolarHBondContact CA-OG 3.21Å; L322-S325 PolarHBondContact O-N 3.44Å; L322-S325 PolarHBondContact O-OG 2.64Å; L322-T326 WeakPolarHBondContact O-CG2 3.44Å; L322-T326 PolarHBondContact O-N 2.92Å; L322-T326 PolarHBondContact O-OG1 2.98Å
323	E	95.5	Very high	92.1	Very high	22 Å²	22	34.9 Å²	34.9	10%	0.103	16%	0.155	C	C	.	.	H	α-helix	trans	-55	-51.6	176	-176.6	-168.3	141.7	0	0	110.4	T238 R241 L242 F245 Q319 Q320 S325 T326 M327	T238-E323 WeakPolarHBondContact CG2-OE2 3.27Å; R241-E323 HydrophobicContact CB-CG 4.3Å; R241-E323 VanDerWaalsContact CZ-CD 3.44Å; R241-E323 IonicContact CZ-OE1 2.72Å; R241-E323 IonicContact CZ-OE2 3.18Å; R241-E323 VanDerWaalsContact CZ-OE2 3.22Å; R241-E323 IonicContact NE-OE1 3.13Å; R241-E323 IonicContact NE-OE2 3.29Å; R241-E323 IonicContact NH1-OE1 3.78Å; R241-E323 PolarHBondContact NH1-OE1 2.91Å; R241-E323 IonicContact NH1-OE2 2.69Å; R241-E323 VanDerWaalsContact NH2-CD 3.34Å; R241-E323 IonicContact NH2-OE1 3.62Å; R241-E323 PolarHBondContact NH2-OE1 3.39Å; R241-E323 VanDerWaalsContact NH2-OE1 3.11Å; R241-E323 IonicContact NH2-OE2 2.77Å; R241-E323 PolarHBondContact NH2-OE2 2.71Å; L242-E323 HydrophobicContact CB-CB 4.45Å; F245-E323 HydrophobicContact CD2-CG 3.93Å; F245-E323 HydrophobicContact CE2-CG 4.08Å; Q319-E323 WeakPolarHBondContact O-CB 3.44Å; Q319-E323 PolarHBondContact O-N 2.95Å; Q320-E323 WeakPolarHBondContact O-CB 3.26Å; Q320-E323 PolarHBondContact O-N 3.43Å; E323-S325 PolarHBondContact O-N 3.48Å; E323-T326 PolarHBondContact O-N 3.21Å; E323-T326 PolarHBondContact O-OG1 2.86Å; E323-M327 WeakPolarHBondContact O-CB 3.23Å; E323-M327 PolarHBondContact O-N 3.38Å
324	I	94.7	Very high	93.6	Very high	19 Å²	19	32.2 Å²	32.2	10%	0.097	15%	0.151	C	C	.	.	H	α-helix	trans	-58.3	-46.9	178.2	-67.8	163	0	0	0	111	L316 Q320 L321 L322 M327 F328 W363	L316-I324 HydrophobicContact CD1-CD1 4.18Å; L316-I324 HydrophobicContact CD2-CD1 4.12Å; Q320-I324 WeakPolarHBondContact O-CD1 3.47Å; Q320-I324 VanDerWaalsContact O-CG1 3.28Å; Q320-I324 WeakPolarHBondContact O-CG1 3.44Å; Q320-I324 PolarHBondContact O-N 3.01Å; L321-I324 PolarHBondContact O-N 3.36Å; L322-I324 PolarHBondContact O-N 3.28Å; I324-M327 PolarHBondContact O-N 2.84Å; I324-F328 HydrophobicContact CG2-CD2 4.44Å; I324-F328 HydrophobicContact CG2-CE1 4.5Å; I324-F328 HydrophobicContact CG2-CE2 4.08Å; I324-F328 HydrophobicContact CG2-CZ 4.13Å; I324-F328 WeakPolarHBondContact O-CG 3.44Å; I324-F328 PolarHBondContact O-N 3.16Å; I324-W363 HydrophobicContact CD1-CZ2 4.18Å; I324-W363 HydrophobicContact CG1-CZ2 4.35Å; I324-W363 HydrophobicContact CG2-CH2 4.04Å; I324-W363 HydrophobicContact CG2-CZ2 3.63Å
325	S	96.9	Very high	94.9	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-64.1	-41.8	-179.8	68.6	0	0	0	0	112.7	F288 L321 L322 E323 F328 L329	F288-S325 WeakPolarHBondContact CA-OG 3.39Å; L321-S325 PolarHBondContact O-N 3Å; L321-S325 PolarHBondContact O-OG 2.86Å; L322-S325 WeakPolarHBondContact CA-OG 3.21Å; L322-S325 PolarHBondContact O-N 3.44Å; L322-S325 PolarHBondContact O-OG 2.64Å; E323-S325 PolarHBondContact O-N 3.48Å; S325-F328 WeakPolarHBondContact O-CB 3.38Å; S325-F328 PolarHBondContact O-N 3.45Å; S325-L329 WeakPolarHBondContact O-CG 3.26Å; S325-L329 PolarHBondContact O-N 3.48Å
326	T	97.5	Very high	95.6	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-69.4	-35	177.5	54.7	0	0	0	0	112.2	L242 F245 M246 F288 L322 E323 F328 L329 V330	L242-T326 HydrophobicContact CD1-CG2 4.08Å; F245-T326 VanDerWaalsContact CB-OG1 3.27Å; F245-T326 WeakPolarHBondContact CB-OG1 3.32Å; M246-T326 HydrophobicContact CB-CG2 4.44Å; M246-T326 HydrophobicContact CE-CG2 3.56Å; M246-T326 HydrophobicContact SD-CG2 4.29Å; F288-T326 HydrophobicContact CD2-CG2 4.2Å; F288-T326 HydrophobicContact CE2-CG2 4.24Å; L322-T326 WeakPolarHBondContact O-CG2 3.44Å; L322-T326 PolarHBondContact O-N 2.92Å; L322-T326 PolarHBondContact O-OG1 2.98Å; E323-T326 PolarHBondContact O-N 3.21Å; E323-T326 PolarHBondContact O-OG1 2.86Å; T326-F328 VanDerWaalsContact C-N 3.35Å; T326-L329 PolarHBondContact O-N 3.48Å; T326-V330 WeakPolarHBondContact O-CG2 3.27Å; T326-V330 PolarHBondContact O-N 3.34Å
327	M	96.4	Very high	96	Very high	42 Å²	42	22.2 Å²	22.2	21%	0.207	11%	0.113	C	C	.	.	H	α-helix	trans	-61	-44.1	171.4	-177.8	-159.3	70.2	0	0	110.8	F245 E323 I324 L329 V330 V331 F359	F245-M327 HydrophobicContact CD1-CB 4.3Å; F245-M327 HydrophobicContact CD2-CB 4.39Å; F245-M327 HydrophobicContact CE1-CB 4.26Å; F245-M327 HydrophobicContact CE1-CG 4.09Å; F245-M327 HydrophobicContact CE2-CB 4.35Å; F245-M327 HydrophobicContact CG-CB 4.38Å; F245-M327 HydrophobicContact CZ-CB 4.29Å; F245-M327 HydrophobicContact CZ-CG 4.1Å; E323-M327 WeakPolarHBondContact O-CB 3.23Å; E323-M327 PolarHBondContact O-N 3.38Å; I324-M327 PolarHBondContact O-N 2.84Å; M327-L329 PolarHBondContact O-N 2.91Å; M327-V330 PolarHBondContact O-N 3.33Å; M327-V331 WeakPolarHBondContact O-CG2 3.37Å; M327-V331 PolarHBondContact O-N 2.8Å; M327-F359 HydrophobicContact CE-CE1 4.35Å; M327-F359 HydrophobicContact CE-CZ 3.8Å
328	F	97.8	Very high	96.3	Very high	11 Å²	11	21.5 Å²	21.5	5%	0.048	11%	0.11	C	C	.	.	H	α-helix	trans	-61.8	-41.1	174.6	-71.8	-9.3	0	0	0	112.6	F284 I287 I324 S325 T326 V330 V331 W332 F359 W363	F284-F328 HydrophobicContact CB-CB 4.37Å; F284-F328 HydrophobicContact CD1-CB 3.73Å; F284-F328 AromaticContact CD1-CD2 3.64Å; F284-F328 HydrophobicContact CD1-CD2 3.64Å; F284-F328 HydrophobicContact CD1-CG 4.08Å; F284-F328 HydrophobicContact CD2-CB 3.89Å; F284-F328 HydrophobicContact CE1-CB 3.91Å; F284-F328 AromaticContact CE1-CD2 3.67Å; F284-F328 HydrophobicContact CE1-CD2 3.67Å; F284-F328 HydrophobicContact CE1-CE2 4.39Å; F284-F328 AromaticContact CE1-CG 4Å; F284-F328 HydrophobicContact CE1-CG 4Å; F284-F328 HydrophobicContact CE2-CB 4.07Å; F284-F328 HydrophobicContact CG-CB 3.72Å; F284-F328 HydrophobicContact CG-CD2 4.45Å; F284-F328 HydrophobicContact CZ-CB 4.08Å; F284-F328 HydrophobicContact CZ-CD2 4.49Å; F284-F328 HydrophobicContact CZ-CG 4.41Å; I287-F328 HydrophobicContact CD1-CD2 4.43Å; I287-F328 HydrophobicContact CD1-CE2 4.48Å; I324-F328 HydrophobicContact CG2-CD2 4.44Å; I324-F328 HydrophobicContact CG2-CE1 4.5Å; I324-F328 HydrophobicContact CG2-CE2 4.08Å; I324-F328 HydrophobicContact CG2-CZ 4.13Å; I324-F328 WeakPolarHBondContact O-CG 3.44Å; I324-F328 PolarHBondContact O-N 3.16Å; S325-F328 WeakPolarHBondContact O-CB 3.38Å; S325-F328 PolarHBondContact O-N 3.45Å; T326-F328 VanDerWaalsContact C-N 3.35Å; F328-V330 VanDerWaalsContact C-N 3.34Å; F328-V330 PolarHBondContact O-N 2.86Å; F328-V331 PolarHBondContact O-N 3.13Å; F328-W332 WeakPolarHBondContact O-CB 3.18Å; F328-W332 PolarHBondContact O-N 2.73Å; F328-F359 AromaticContact CD1-CE1 3.53Å; F328-F359 HydrophobicContact CD1-CE1 3.53Å; F328-F359 HydrophobicContact CD1-CZ 4.17Å; F328-F359 AromaticContact CE1-CE1 3.54Å; F328-F359 HydrophobicContact CE1-CE1 3.54Å; F328-F359 HydrophobicContact CE1-CZ 4.06Å; F328-W363 AromaticContact CE1-CD1 4Å; F328-W363 HydrophobicContact CE1-CD2 4.01Å; F328-W363 AromaticContact CE1-CG 3.97Å; F328-W363 HydrophobicContact CE1-CG 3.97Å; F328-W363 AromaticContact CZ-CD2 3.54Å; F328-W363 HydrophobicContact CZ-CD2 3.54Å; F328-W363 AromaticContact CZ-CE2 3.76Å; F328-W363 AromaticContact CZ-CE3 3.69Å; F328-W363 HydrophobicContact CZ-CE3 3.69Å; F328-W363 AromaticContact CZ-CG 3.95Å; F328-W363 HydrophobicContact CZ-CG 3.95Å; F328-W363 HydrophobicContact CZ-CH2 4.3Å; F328-W363 HydrophobicContact CZ-CZ2 4.16Å; F328-W363 HydrophobicContact CZ-CZ3 4.07Å
329	L	98.4	Very high	96.3	Very high	10 Å²	10	20.9 Å²	20.9	5%	0.052	11%	0.108	C	C	.	.	H	α-helix	trans	-64.9	-35.1	175.4	-71.7	169.7	0	0	0	112.9	F249 L281 F284 S325 T326 M327 S333	F249-L329 HydrophobicContact CD1-CD1 4.4Å; F249-L329 HydrophobicContact CD2-CB 3.6Å; F249-L329 HydrophobicContact CE1-CD1 4.2Å; F249-L329 HydrophobicContact CE2-CB 3.78Å; F249-L329 HydrophobicContact CE2-CD2 4.18Å; F249-L329 HydrophobicContact CE2-CG 4.4Å; F249-L329 HydrophobicContact CG-CB 4.01Å; F249-L329 HydrophobicContact CZ-CB 4.32Å; F249-L329 HydrophobicContact CZ-CD1 4.29Å; F249-L329 HydrophobicContact CZ-CD2 4.23Å; L281-L329 HydrophobicContact CD1-CD2 3.87Å; F284-L329 HydrophobicContact CB-CD2 3.76Å; F284-L329 HydrophobicContact CB-CG 4.03Å; F284-L329 HydrophobicContact CD2-CD2 4.49Å; S325-L329 WeakPolarHBondContact O-CG 3.26Å; S325-L329 PolarHBondContact O-N 3.48Å; T326-L329 PolarHBondContact O-N 3.48Å; M327-L329 PolarHBondContact O-N 2.91Å; L329-S333 WeakPolarHBondContact O-CB 3.33Å; L329-S333 PolarHBondContact O-N 2.77Å; L329-S333 PolarHBondContact O-OG 3.28Å
330	V	98.4	Very high	96.3	Very high	18 Å²	18	22 Å²	22	11%	0.109	11%	0.114	C	C	.	.	H	α-helix	trans	-65.2	-48.6	172.5	167.6	0	0	0	0	110.8	F245 F249 L252 T326 M327 F328 W332 S333 L334	F245-V330 HydrophobicContact CD1-CG2 4.25Å; F245-V330 WeakPolarHBondContact O-CG2 3.5Å; F249-V330 HydrophobicContact CB-CG2 3.97Å; L252-V330 HydrophobicContact CD1-CG1 3.9Å; T326-V330 WeakPolarHBondContact O-CG2 3.27Å; T326-V330 PolarHBondContact O-N 3.34Å; M327-V330 PolarHBondContact O-N 3.33Å; F328-V330 VanDerWaalsContact C-N 3.34Å; F328-V330 PolarHBondContact O-N 2.86Å; V330-W332 VanDerWaalsContact C-N 3.32Å; V330-W332 PolarHBondContact O-N 2.66Å; V330-S333 PolarHBondContact O-N 3.28Å; V330-S333 VanDerWaalsContact O-N 3.14Å; V330-L334 HydrophobicContact CG1-CD1 4.12Å; V330-L334 WeakPolarHBondContact O-CG 3.25Å; V330-L334 PolarHBondContact O-N 2.72Å
331	V	98.2	Very high	96.3	Very high	31 Å²	31	23.6 Å²	23.6	19%	0.188	12%	0.119	C	C	.	.	H	α-helix	trans	-61.1	-42.8	177.6	176.6	0	0	0	0	111	M327 F328 S333 L334 C335 L356 F359	M327-V331 WeakPolarHBondContact O-CG2 3.37Å; M327-V331 PolarHBondContact O-N 2.8Å; F328-V331 PolarHBondContact O-N 3.13Å; V331-S333 VanDerWaalsContact C-N 3.33Å; V331-S333 PolarHBondContact O-N 2.9Å; V331-L334 PolarHBondContact O-N 3.36Å; V331-C335 PolarHBondContact O-N 3.43Å; V331-C335 PolarHBondContact O-SG 3.33Å; V331-C335 VanDerWaalsContact O-SG 3.37Å; V331-L356 HydrophobicContact CG1-CD1 3.94Å; V331-F359 HydrophobicContact CB-CE1 4.27Å; V331-F359 HydrophobicContact CG1-CD1 3.95Å; V331-F359 HydrophobicContact CG1-CE1 4.16Å; V331-F359 HydrophobicContact CG1-CG 4.19Å; V331-F359 HydrophobicContact CG2-CE1 4.05Å; V331-F359 HydrophobicContact CG2-CE2 4.36Å; V331-F359 HydrophobicContact CG2-CZ 3.91Å
332	W	98.5	Very high	96.1	Very high	20 Å²	20	22.4 Å²	22.4	8%	0.076	11%	0.112	C	C	.	.	H	α-helix	trans	-56	-46.4	172.8	176.9	86.2	0	0	0	112.1	F249 I256 F277 L281 F284 F328 V330 L334 C335 I336	F249-W332 HydrophobicContact CE2-CE3 4.43Å; F249-W332 HydrophobicContact CE2-CZ3 4.4Å; I256-W332 HydrophobicContact CD1-CZ3 4.34Å; F277-W332 PolarHBondContact O-NE1 3.36Å; L281-W332 HydrophobicContact CB-CZ2 3.76Å; L281-W332 HydrophobicContact CD1-CD2 4.34Å; L281-W332 HydrophobicContact CD1-CE3 4.35Å; L281-W332 HydrophobicContact CD1-CH2 3.92Å; L281-W332 HydrophobicContact CD1-CZ2 3.86Å; L281-W332 HydrophobicContact CD1-CZ3 4.17Å; L281-W332 HydrophobicContact CD2-CH2 3.98Å; L281-W332 HydrophobicContact CD2-CZ2 3.72Å; L281-W332 HydrophobicContact CG-CH2 4.39Å; L281-W332 HydrophobicContact CG-CZ2 3.98Å; F284-W332 HydrophobicContact CD2-CB 4.05Å; F284-W332 HydrophobicContact CD2-CG 4.42Å; F284-W332 HydrophobicContact CE2-CB 3.92Å; F284-W332 HydrophobicContact CE2-CG 4.41Å; F328-W332 WeakPolarHBondContact O-CB 3.18Å; F328-W332 PolarHBondContact O-N 2.73Å; V330-W332 VanDerWaalsContact C-N 3.32Å; V330-W332 PolarHBondContact O-N 2.66Å; W332-L334 PolarHBondContact O-N 3.49Å; W332-C335 PolarHBondContact O-N 2.87Å; W332-I336 HydrophobicContact CD2-CD1 3.75Å; W332-I336 HydrophobicContact CE3-CD1 4.01Å; W332-I336 HydrophobicContact CH2-CD1 3.38Å; W332-I336 HydrophobicContact CZ2-CD1 3.08Å; W332-I336 HydrophobicContact CZ2-CG1 4.46Å; W332-I336 HydrophobicContact CZ3-CD1 3.83Å; W332-I336 PolarHBondContact O-N 2.86Å
333	S	98.3	Very high	95.7	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-66	-40	-179.5	-54.4	0	0	0	0	111.9	F249 L329 V330 V331 I336 L337	F249-S333 WeakPolarHBondContact CD2-OG 3.46Å; L329-S333 WeakPolarHBondContact O-CB 3.33Å; L329-S333 PolarHBondContact O-N 2.77Å; L329-S333 PolarHBondContact O-OG 3.28Å; V330-S333 PolarHBondContact O-N 3.28Å; V330-S333 VanDerWaalsContact O-N 3.14Å; V331-S333 VanDerWaalsContact C-N 3.33Å; V331-S333 PolarHBondContact O-N 2.9Å; S333-I336 PolarHBondContact O-N 3.45Å; S333-L337 WeakPolarHBondContact O-CG 3.16Å; S333-L337 PolarHBondContact O-N 2.94Å
334	L	98	Very high	95.4	Very high	93 Å²	93	32.9 Å²	32.9	49%	0.487	17%	0.165	S	C	.	.	H	α-helix	trans	-64.1	-40.7	174.5	-69.4	172.4	0	0	0	111.9	L252 V330 V331 W332 L337 G338	L252-L334 HydrophobicContact CD1-CD2 4.08Å; L252-L334 HydrophobicContact CD1-CG 4.09Å; L252-L334 HydrophobicContact CD2-CD2 4.04Å; V330-L334 HydrophobicContact CG1-CD1 4.12Å; V330-L334 WeakPolarHBondContact O-CG 3.25Å; V330-L334 PolarHBondContact O-N 2.72Å; V331-L334 PolarHBondContact O-N 3.36Å; W332-L334 PolarHBondContact O-N 3.49Å; L334-L337 PolarHBondContact O-N 2.92Å; L334-G338 PolarHBondContact O-N 3.2Å
335	C	98	Very high	95.2	Very high	7 Å²	7	36.5 Å²	36.5	5%	0.047	18%	0.183	C	C	.	.	H	α-helix	trans	-65.9	-36.5	175.7	-71.5	0	0	0	0	112.4	F277 V331 W332 G338 Y339 F352 L356	F277-C335 HydrophobicContact CE1-CB 3.89Å; F277-C335 HydrophobicContact CZ-CB 4.42Å; V331-C335 PolarHBondContact O-N 3.43Å; V331-C335 PolarHBondContact O-SG 3.33Å; V331-C335 VanDerWaalsContact O-SG 3.37Å; W332-C335 PolarHBondContact O-N 2.87Å; C335-G338 PolarHBondContact O-N 3.33Å; C335-Y339 WeakPolarHBondContact O-CB 3.13Å; C335-Y339 PolarHBondContact O-N 2.85Å; C335-F352 HydrophobicContact CB-CB 4.36Å; C335-F352 WeakPolarHBondContact O-CB 3.28Å; C335-L356 HydrophobicContact CB-CB 4.44Å
336	I	95.9	Very high	94.8	Very high	21 Å²	21	41 Å²	41	11%	0.108	22%	0.221	C	C	.	.	H	α-helix	trans	-66.9	-47	174	-73.1	179	0	0	0	111.1	I256 F277 W332 S333 G338 Y339 L340	I256-I336 HydrophobicContact CD1-CB 4.06Å; I256-I336 HydrophobicContact CD1-CG2 3.89Å; I256-I336 HydrophobicContact CG1-CG2 3.97Å; I256-I336 HydrophobicContact CG2-CG2 3.99Å; F277-I336 HydrophobicContact CB-CD1 4.19Å; F277-I336 HydrophobicContact CB-CG1 4.36Å; F277-I336 HydrophobicContact CD1-CD1 4.4Å; F277-I336 HydrophobicContact CD1-CG1 3.81Å; F277-I336 HydrophobicContact CD2-CG1 4.02Å; F277-I336 HydrophobicContact CE1-CG1 4.02Å; F277-I336 HydrophobicContact CE2-CG1 4.22Å; F277-I336 HydrophobicContact CG-CD1 4.19Å; F277-I336 HydrophobicContact CG-CG1 3.81Å; F277-I336 HydrophobicContact CZ-CG1 4.22Å; W332-I336 HydrophobicContact CD2-CD1 3.75Å; W332-I336 HydrophobicContact CE3-CD1 4.01Å; W332-I336 HydrophobicContact CH2-CD1 3.38Å; W332-I336 HydrophobicContact CZ2-CD1 3.08Å; W332-I336 HydrophobicContact CZ2-CG1 4.46Å; W332-I336 HydrophobicContact CZ3-CD1 3.83Å; W332-I336 PolarHBondContact O-N 2.86Å; S333-I336 PolarHBondContact O-N 3.45Å; I336-G338 VanDerWaalsContact C-N 3.28Å; I336-G338 PolarHBondContact O-N 2.94Å; I336-Y339 WeakPolarHBondContact O-CB 3.28Å; I336-Y339 PolarHBondContact O-N 3.43Å; I336-Y339 VanDerWaalsContact O-N 3.13Å; I336-L340 HydrophobicContact CG2-CD1 3.87Å; I336-L340 HydrophobicContact CG2-CG 4.26Å; I336-L340 WeakPolarHBondContact O-CG 3.08Å; I336-L340 PolarHBondContact O-N 3.25Å
337	L	95.3	Very high	94.5	Very high	16 Å²	16	45 Å²	45	8%	0.084	24%	0.241	C	C	.	.	H	α-helix	trans	-60.9	-41.6	176.2	-71.2	167.9	0	0	0	111.2	L252 L255 I256 S333 L334 Y339 L340 Y341	L252-L337 HydrophobicContact CD2-CD1 3.7Å; L255-L337 HydrophobicContact CB-CD2 4.47Å; L255-L337 HydrophobicContact CD2-CD1 3.75Å; L255-L337 HydrophobicContact CD2-CD2 4.06Å; L255-L337 HydrophobicContact CG-CD1 4.27Å; L255-L337 HydrophobicContact CG-CD2 3.84Å; I256-L337 HydrophobicContact CD1-CG 4.45Å; I256-L337 HydrophobicContact CG1-CD1 4.38Å; I256-L337 HydrophobicContact CG1-CD2 3.7Å; I256-L337 HydrophobicContact CG1-CG 3.73Å; S333-L337 WeakPolarHBondContact O-CG 3.16Å; S333-L337 PolarHBondContact O-N 2.94Å; L334-L337 PolarHBondContact O-N 2.92Å; L337-Y339 VanDerWaalsContact C-N 3.33Å; L337-Y339 PolarHBondContact O-N 3.37Å; L337-L340 PolarHBondContact O-N 3.22Å; L337-Y341 HydrophobicContact CD2-CE2 4.27Å; L337-Y341 WeakPolarHBondContact O-CB 3.42Å; L337-Y341 WeakPolarHBondContact O-CD2 3.49Å; L337-Y341 PolarHBondContact O-N 2.94Å
338	G	94.8	Very high	94.3	Very high	7 Å²	7	43.9 Å²	43.9	7%	0.072	24%	0.238	C	C	.	.	H	α-helix	trans	-57.1	-45	172.4	0	0	0	0	0	112.6	L334 C335 I336 Y341 A342 F352	L334-G338 PolarHBondContact O-N 3.2Å; C335-G338 PolarHBondContact O-N 3.33Å; I336-G338 VanDerWaalsContact C-N 3.28Å; I336-G338 PolarHBondContact O-N 2.94Å; G338-Y341 CarbonylContact O-C 3.51Å; G338-Y341 PolarHBondContact O-N 2.99Å; G338-A342 VanDerWaalsContact O-CA 3.31Å; G338-A342 WeakPolarHBondContact O-CA 3.36Å; G338-A342 WeakPolarHBondContact O-CB 3.49Å; G338-A342 PolarHBondContact O-N 3.23Å; G338-F352 VanDerWaalsContact C-CD2 3.42Å; G338-F352 VanDerWaalsContact C-CZ 3.42Å; G338-F352 VanDerWaalsContact CA-CE1 3.41Å; G338-F352 VanDerWaalsContact CA-CZ 3.5Å; G338-F352 WeakPolarHBondContact O-CE2 3.24Å; G338-F352 WeakPolarHBondContact O-CZ 3.25Å
339	Y	93.6	Very high	94	Very high	12 Å²	12	44.6 Å²	44.6	5%	0.047	24%	0.241	C	C	.	.	H	α-helix	trans	-60.5	-46	174.4	-178.7	-81.4	0	0	0	112.1	A273 F277 C335 I336 L337 A342 K349 P353	A273-Y339 HydrophobicContact CB-CD1 4.47Å; A273-Y339 HydrophobicContact CB-CE1 3.69Å; A273-Y339 HydrophobicContact CB-CE2 4.48Å; F277-Y339 AromaticContact CE2-CD2 3.91Å; F277-Y339 HydrophobicContact CE2-CD2 3.91Å; F277-Y339 AromaticContact CE2-CG 3.93Å; F277-Y339 HydrophobicContact CE2-CG 3.93Å; F277-Y339 HydrophobicContact CZ-CD2 4.42Å; F277-Y339 HydrophobicContact CZ-CG 4.47Å; C335-Y339 WeakPolarHBondContact O-CB 3.13Å; C335-Y339 PolarHBondContact O-N 2.85Å; I336-Y339 WeakPolarHBondContact O-CB 3.28Å; I336-Y339 PolarHBondContact O-N 3.43Å; I336-Y339 VanDerWaalsContact O-N 3.13Å; L337-Y339 VanDerWaalsContact C-N 3.33Å; L337-Y339 PolarHBondContact O-N 3.37Å; Y339-A342 VanDerWaalsContact O-CB 3.28Å; Y339-A342 WeakPolarHBondContact O-CB 3.39Å; Y339-A342 PolarHBondContact O-N 3.43Å; Y339-K349 HydrophobicContact CD2-CB 3.79Å; Y339-K349 HydrophobicContact CD2-CG 4.31Å; Y339-K349 WeakPolarHBondContact CD2-O 3.42Å; Y339-K349 HydrophobicContact CE2-CB 3.83Å; Y339-K349 HydrophobicContact CE2-CD 4.26Å; Y339-K349 HydrophobicContact CE2-CG 3.82Å; Y339-K349 HydrophobicContact CG-CB 4.25Å; Y339-P353 HydrophobicContact CD2-CG 4.49Å
340	L	91.8	Very high	93.7	Very high	38 Å²	38	44.1 Å²	44.1	20%	0.199	24%	0.238	C	C	.	.	H	α-helix	trans	-68.9	-33.3	-178.3	-67.6	174.1	0	0	0	113	I256 T259 L260 L265 I336 L337	I256-L340 HydrophobicContact CG2-CD1 4.49Å; T259-L340 HydrophobicContact CG2-CB 4.19Å; T259-L340 HydrophobicContact CG2-CD1 3.96Å; L260-L340 HydrophobicContact CD2-CD1 4.21Å; L260-L340 HydrophobicContact CD2-CD2 3.96Å; L260-L340 HydrophobicContact CG-CD1 4.38Å; L265-L340 HydrophobicContact CD1-CD2 4.11Å; L265-L340 HydrophobicContact CD2-CD2 4.26Å; I336-L340 HydrophobicContact CG2-CD1 3.87Å; I336-L340 HydrophobicContact CG2-CG 4.26Å; I336-L340 WeakPolarHBondContact O-CG 3.08Å; I336-L340 PolarHBondContact O-N 3.25Å; L337-L340 PolarHBondContact O-N 3.22Å
341	Y	92.6	Very high	93.6	Very high	84 Å²	84	45.5 Å²	45.5	33%	0.329	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	11.7	178.4	-73.1	-82.6	0	0	0	113.2	T259 L337 G338 D343 H344 L345	T259-Y341 HydrophobicContact CG2-CE2 3.73Å; T259-Y341 PolarHBondContact OG1-OH 2.68Å; T259-Y341 VanDerWaalsContact OG1-OH 3.08Å; L337-Y341 HydrophobicContact CD2-CE2 4.27Å; L337-Y341 WeakPolarHBondContact O-CB 3.42Å; L337-Y341 WeakPolarHBondContact O-CD2 3.49Å; L337-Y341 PolarHBondContact O-N 2.94Å; G338-Y341 CarbonylContact O-C 3.51Å; G338-Y341 PolarHBondContact O-N 2.99Å; Y341-D343 VanDerWaalsContact C-N 3.31Å; Y341-D343 PolarHBondContact O-N 2.97Å; Y341-H344 AromaticContact CD1-CD2 3.71Å; Y341-H344 WeakPolarHBondContact O-CB 3.46Å; Y341-H344 PolarHBondContact O-N 2.95Å; Y341-L345 WeakPolarHBondContact O-CG 3.34Å; Y341-L345 PolarHBondContact O-N 3.1Å
342	A	91.4	Very high	93.5	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.008	24%	0.243	C	C	.	.	H	α-helix	trans	-57.4	-41.3	-173.4	0	0	0	0	0	113.1	G338 Y339 H344 L345 A346 I347 K349 F352	G338-A342 VanDerWaalsContact O-CA 3.31Å; G338-A342 WeakPolarHBondContact O-CA 3.36Å; G338-A342 WeakPolarHBondContact O-CB 3.49Å; G338-A342 PolarHBondContact O-N 3.23Å; Y339-A342 VanDerWaalsContact O-CB 3.28Å; Y339-A342 WeakPolarHBondContact O-CB 3.39Å; Y339-A342 PolarHBondContact O-N 3.43Å; A342-H344 VanDerWaalsContact C-N 3.28Å; A342-H344 PolarHBondContact O-N 3.18Å; A342-L345 CarbonylContact O-C 3.52Å; A342-L345 PolarHBondContact O-N 3.39Å; A342-A346 PolarHBondContact O-N 2.96Å; A342-I347 WeakPolarHBondContact CB-O 3.34Å; A342-I347 PolarHBondContact O-N 3.44Å; A342-K349 HydrophobicContact CB-CB 3.45Å; A342-K349 VanDerWaalsContact CB-CB 3.45Å; A342-F352 HydrophobicContact CB-CE2 3.98Å
343	D	87.2	Confident	93.4	Very high	126 Å²	126	44.2 Å²	44.2	67%	0.674	24%	0.239	S	C	*	.	H	α-helix	trans	-62.6	-36.5	178.2	-63.1	-25	0	0	0	111.5	Y341 A346	Y341-D343 VanDerWaalsContact C-N 3.31Å; Y341-D343 PolarHBondContact O-N 2.97Å; D343-A346 PolarHBondContact O-N 2.97Å
344	H	89.1	Confident	93.4	Very high	135 Å²	135	47.3 Å²	47.3	63%	0.625	26%	0.255	S	S	*	.	H	α-helix	trans	-73.8	-28.1	174.9	-62.8	-67.5	0	0	0	112.9	Y341 A342 A346	Y341-H344 AromaticContact CD1-CD2 3.71Å; Y341-H344 WeakPolarHBondContact O-CB 3.46Å; Y341-H344 PolarHBondContact O-N 2.95Å; A342-H344 VanDerWaalsContact C-N 3.28Å; A342-H344 PolarHBondContact O-N 3.18Å; H344-A346 VanDerWaalsContact C-N 3.32Å
345	L	90.4	Very high	93.4	Very high	94 Å²	94	47 Å²	47	49%	0.492	25%	0.254	S	S	.	.	H	α-helix	trans	-84.2	-7.3	177.2	-65.5	172.7	0	0	0	112.8	Y341 A342 I347 F352	Y341-L345 WeakPolarHBondContact O-CG 3.34Å; Y341-L345 PolarHBondContact O-N 3.1Å; A342-L345 CarbonylContact O-C 3.52Å; A342-L345 PolarHBondContact O-N 3.39Å; L345-I347 HydrophobicContact CB-CB 4.47Å; L345-I347 HydrophobicContact CB-CD1 4.15Å; L345-I347 HydrophobicContact CB-CG1 4.27Å; L345-I347 PolarHBondContact O-N 3.42Å; L345-F352 HydrophobicContact CD1-CZ 4.14Å
346	A	90	Very high	93.4	Very high	95 Å²	95	46.7 Å²	46.7	79%	0.785	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	34	-171.9	0	0	0	0	0	113.2	A342 D343 H344	A342-A346 PolarHBondContact O-N 2.96Å; D343-A346 PolarHBondContact O-N 2.97Å; H344-A346 VanDerWaalsContact C-N 3.32Å
347	I	90.8	Very high	93.5	Very high	83 Å²	83	47.6 Å²	47.6	43%	0.426	26%	0.256	S	S	.	.	S	Bend	trans	-116.5	143	176.9	-62.4	168.7	0	0	0	107.6	A342 L345 K349 V351 F352	A342-I347 WeakPolarHBondContact CB-O 3.34Å; A342-I347 PolarHBondContact O-N 3.44Å; L345-I347 HydrophobicContact CB-CB 4.47Å; L345-I347 HydrophobicContact CB-CD1 4.15Å; L345-I347 HydrophobicContact CB-CG1 4.27Å; L345-I347 PolarHBondContact O-N 3.42Å; I347-K349 PolarHBondContact O-N 3.4Å; I347-V351 HydrophobicContact CG2-CB 4.45Å; I347-F352 HydrophobicContact CG2-CE2 4.32Å; I347-F352 HydrophobicContact CG2-CZ 4.47Å
348	S	92.2	Very high	93.6	Very high	19 Å²	19	48.3 Å²	48.3	13%	0.133	27%	0.266	C	S	.	.			trans	-60.3	123.4	172.5	166.9	0	0	0	0	110.8	L350 V351 L433	S348-L350 PolarHBondContact O-N 2.91Å; S348-L350 VanDerWaalsContact O-N 3.17Å; S348-L350 PolarHBondContact OG-N 3.05Å; S348-V351 VanDerWaalsContact O-CB 3.3Å; S348-V351 WeakPolarHBondContact O-CB 3.45Å; S348-V351 WeakPolarHBondContact O-CG2 3.36Å; S348-V351 PolarHBondContact O-N 3.02Å; S348-L433 WeakPolarHBondContact CB-O 3.35Å; S348-L433 PolarHBondContact OG-O 3.16Å
349	K	90.8	Very high	93.7	Very high	26 Å²	26	51 Å²	51	11%	0.113	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-30.5	177	64.6	-162.9	174.1	-148.8	0	113.4	E268 Y339 A342 I347 V351 F352 P353	E268-K349 IonicContact OE1-NZ 2.97Å; E268-K349 PolarHBondContact OE1-NZ 2.88Å; E268-K349 WeakPolarHBondContact OE2-CE 3.4Å; E268-K349 IonicContact OE2-NZ 2.71Å; E268-K349 PolarHBondContact OE2-NZ 3.3Å; Y339-K349 HydrophobicContact CD2-CB 3.79Å; Y339-K349 HydrophobicContact CD2-CG 4.31Å; Y339-K349 WeakPolarHBondContact CD2-O 3.42Å; Y339-K349 HydrophobicContact CE2-CB 3.83Å; Y339-K349 HydrophobicContact CE2-CD 4.26Å; Y339-K349 HydrophobicContact CE2-CG 3.82Å; Y339-K349 HydrophobicContact CG-CB 4.25Å; A342-K349 HydrophobicContact CB-CB 3.45Å; A342-K349 VanDerWaalsContact CB-CB 3.45Å; I347-K349 PolarHBondContact O-N 3.4Å; K349-V351 PolarHBondContact O-N 3.33Å; K349-F352 WeakPolarHBondContact O-CD2 3.38Å; K349-F352 PolarHBondContact O-N 3.22Å; K349-P353 WeakPolarHBondContact O-CD 3.23Å
350	L	93.1	Very high	93.8	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.005	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-9.4	178.9	-56.1	-177.2	0	0	0	112.8	S348 F421 Y422 V426 L433 M435	S348-L350 PolarHBondContact O-N 2.91Å; S348-L350 VanDerWaalsContact O-N 3.17Å; S348-L350 PolarHBondContact OG-N 3.05Å; L350-F421 HydrophobicContact CD2-CE1 4.02Å; L350-F421 HydrophobicContact CD2-CZ 4.12Å; L350-Y422 HydrophobicContact CB-CE1 4.14Å; L350-Y422 PolarHBondContact O-OH 2.98Å; L350-V426 HydrophobicContact CD1-CB 4.5Å; L350-V426 HydrophobicContact CD1-CG1 3.85Å; L350-V426 HydrophobicContact CD1-CG2 3.85Å; L350-L433 HydrophobicContact CB-CB 4.1Å; L350-L433 HydrophobicContact CD1-CB 4.3Å; L350-M435 HydrophobicContact CD1-CG 4.11Å
351	V	95.2	Very high	94	Very high	47 Å²	47	54 Å²	54	29%	0.285	29%	0.294	S	S	.	.	H	α-helix	trans	-74	-30.9	174.3	179.4	0	0	0	0	111.4	I347 S348 K349 L354 I355 L433	I347-V351 HydrophobicContact CG2-CB 4.45Å; S348-V351 VanDerWaalsContact O-CB 3.3Å; S348-V351 WeakPolarHBondContact O-CB 3.45Å; S348-V351 WeakPolarHBondContact O-CG2 3.36Å; S348-V351 PolarHBondContact O-N 3.02Å; K349-V351 PolarHBondContact O-N 3.33Å; V351-L354 WeakPolarHBondContact O-CB 3.5Å; V351-L354 PolarHBondContact O-N 3.43Å; V351-I355 HydrophobicContact CG1-CD1 3.76Å; V351-I355 HydrophobicContact CG1-CG1 4Å; V351-I355 WeakPolarHBondContact O-CG1 3.5Å; V351-I355 PolarHBondContact O-N 3.05Å; V351-L433 HydrophobicContact CG2-CD1 4.16Å
352	F	96.8	Very high	94.1	Very high	24 Å²	24	54.8 Å²	54.8	11%	0.105	31%	0.308	C	S	.	.	H	α-helix	trans	-66.9	-42.9	-173.8	-65.6	-81.3	0	0	0	114.8	F277 C335 G338 A342 L345 I347 K349 L354 I355 L356	F277-F352 HydrophobicContact CZ-CB 4.35Å; C335-F352 HydrophobicContact CB-CB 4.36Å; C335-F352 WeakPolarHBondContact O-CB 3.28Å; G338-F352 VanDerWaalsContact C-CD2 3.42Å; G338-F352 VanDerWaalsContact C-CZ 3.42Å; G338-F352 VanDerWaalsContact CA-CE1 3.41Å; G338-F352 VanDerWaalsContact CA-CZ 3.5Å; G338-F352 WeakPolarHBondContact O-CE2 3.24Å; G338-F352 WeakPolarHBondContact O-CZ 3.25Å; A342-F352 HydrophobicContact CB-CE2 3.98Å; L345-F352 HydrophobicContact CD1-CZ 4.14Å; I347-F352 HydrophobicContact CG2-CE2 4.32Å; I347-F352 HydrophobicContact CG2-CZ 4.47Å; K349-F352 WeakPolarHBondContact O-CD2 3.38Å; K349-F352 PolarHBondContact O-N 3.22Å; F352-L354 VanDerWaalsContact C-N 3.29Å; F352-L354 PolarHBondContact O-N 3.01Å; F352-I355 HydrophobicContact CD1-CD1 4.37Å; F352-I355 PolarHBondContact O-N 3.39Å; F352-L356 PolarHBondContact O-N 2.94Å
353	P	97.3	Very high	94.2	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-62.3	-34.9	171.9	-19.2	29.8	0	0	0	112.8	L276 F277 Y339 K349 L356 M357 F418 Y422	L276-P353 HydrophobicContact CB-CB 4.29Å; L276-P353 HydrophobicContact CB-CG 4.27Å; L276-P353 HydrophobicContact CD1-CG 4.12Å; F277-P353 HydrophobicContact CE1-CB 4.44Å; F277-P353 HydrophobicContact CE1-CG 4.27Å; F277-P353 HydrophobicContact CE2-CG 3.86Å; F277-P353 HydrophobicContact CZ-CB 4.28Å; F277-P353 HydrophobicContact CZ-CG 3.63Å; Y339-P353 HydrophobicContact CD2-CG 4.49Å; K349-P353 WeakPolarHBondContact O-CD 3.23Å; P353-L356 PolarHBondContact O-N 3.47Å; P353-M357 PolarHBondContact O-N 3.39Å; P353-F418 HydrophobicContact CB-CE2 3.67Å; P353-F418 HydrophobicContact CB-CZ 4.36Å; P353-Y422 WeakPolarHBondContact CB-OH 3.38Å
354	L	97.4	Very high	94.5	Very high	64 Å²	64	53.3 Å²	53.3	34%	0.335	30%	0.296	S	S	.	.	H	α-helix	trans	-67.1	-41.1	174.4	-68.4	171.6	0	0	0	112.1	V351 F352 L356 M357 G358 F418 Y422 L433	V351-L354 WeakPolarHBondContact O-CB 3.5Å; V351-L354 PolarHBondContact O-N 3.43Å; F352-L354 VanDerWaalsContact C-N 3.29Å; F352-L354 PolarHBondContact O-N 3.01Å; L354-L356 VanDerWaalsContact C-N 3.29Å; L354-L356 PolarHBondContact O-N 3.29Å; L354-M357 PolarHBondContact O-N 2.97Å; L354-G358 PolarHBondContact O-N 2.88Å; L354-F418 HydrophobicContact CD2-CE1 3.94Å; L354-F418 HydrophobicContact CD2-CZ 3.85Å; L354-F418 HydrophobicContact CG-CZ 4.49Å; L354-Y422 HydrophobicContact CD1-CD1 4.01Å; L354-Y422 HydrophobicContact CD1-CE1 3.58Å; L354-Y422 HydrophobicContact CD2-CD1 4.09Å; L354-Y422 HydrophobicContact CD2-CD2 4.01Å; L354-Y422 HydrophobicContact CD2-CE1 3.97Å; L354-Y422 HydrophobicContact CD2-CE2 3.92Å; L354-Y422 HydrophobicContact CD2-CG 4.13Å; L354-Y422 HydrophobicContact CG-CD1 4.21Å; L354-Y422 HydrophobicContact CG-CE1 3.64Å; L354-Y422 HydrophobicContact CG-CE2 4.13Å; L354-L433 HydrophobicContact CD1-CD1 3.71Å
355	I	97.7	Very high	94.7	Very high	88 Å²	88	52.1 Å²	52.1	45%	0.451	29%	0.294	S	S	.	.	H	α-helix	trans	-57.1	-45.8	172.9	-72	168.8	0	0	0	109.9	V351 F352 G358 F359	V351-I355 HydrophobicContact CG1-CD1 3.76Å; V351-I355 HydrophobicContact CG1-CG1 4Å; V351-I355 WeakPolarHBondContact O-CG1 3.5Å; V351-I355 PolarHBondContact O-N 3.05Å; F352-I355 HydrophobicContact CD1-CD1 4.37Å; F352-I355 PolarHBondContact O-N 3.39Å; I355-G358 PolarHBondContact O-N 3.25Å; I355-F359 VanDerWaalsContact O-CB 3.3Å; I355-F359 WeakPolarHBondContact O-CB 3.37Å; I355-F359 PolarHBondContact O-N 2.92Å
356	L	98.2	Very high	94.7	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-63.9	-44.4	179.5	-176.4	61.5	0	0	0	112.3	F277 F280 F284 V331 C335 F352 P353 L354 F359 C360	F277-L356 HydrophobicContact CD1-CD2 4Å; F277-L356 HydrophobicContact CE1-CD2 4.19Å; F280-L356 HydrophobicContact CB-CD2 3.78Å; F280-L356 HydrophobicContact CD1-CD2 3.94Å; F280-L356 HydrophobicContact CD1-CG 3.99Å; F280-L356 HydrophobicContact CD2-CD2 3.71Å; F280-L356 HydrophobicContact CD2-CG 4.45Å; F280-L356 HydrophobicContact CE1-CD2 4.44Å; F280-L356 HydrophobicContact CE1-CG 4.2Å; F280-L356 HydrophobicContact CE2-CD2 4.24Å; F280-L356 HydrophobicContact CG-CD2 3.54Å; F280-L356 HydrophobicContact CG-CG 4.12Å; F284-L356 HydrophobicContact CE2-CD1 4.17Å; F284-L356 HydrophobicContact CZ-CD1 4.27Å; V331-L356 HydrophobicContact CG1-CD1 3.94Å; C335-L356 HydrophobicContact CB-CB 4.44Å; F352-L356 PolarHBondContact O-N 2.94Å; P353-L356 PolarHBondContact O-N 3.47Å; L354-L356 VanDerWaalsContact C-N 3.29Å; L354-L356 PolarHBondContact O-N 3.29Å; L356-F359 PolarHBondContact O-N 2.71Å; L356-C360 PolarHBondContact O-N 3.48Å; L356-C360 VanDerWaalsContact O-N 3.08Å; L356-C360 PolarHBondContact O-SG 2.96Å
357	M	97.8	Very high	94.6	Very high	40 Å²	40	47.8 Å²	47.8	20%	0.197	26%	0.262	C	S	.	.	H	α-helix	trans	-59.9	-50.1	174.6	-179.5	60.8	79.8	0	0	111.3	F280 P353 L354 F359 C360 I361 M415 F418	F280-M357 HydrophobicContact CE1-CE 4.11Å; F280-M357 HydrophobicContact CE1-SD 4.26Å; F280-M357 HydrophobicContact CZ-CB 4.05Å; F280-M357 HydrophobicContact CZ-CE 3.58Å; F280-M357 HydrophobicContact CZ-SD 4.18Å; P353-M357 PolarHBondContact O-N 3.39Å; L354-M357 PolarHBondContact O-N 2.97Å; M357-F359 VanDerWaalsContact C-N 3.32Å; M357-F359 PolarHBondContact O-N 3.46Å; M357-C360 PolarHBondContact O-N 3.18Å; M357-C360 VanDerWaalsContact O-N 3.17Å; M357-I361 HydrophobicContact CG-CD1 3.92Å; M357-I361 WeakPolarHBondContact O-CG1 3.34Å; M357-I361 PolarHBondContact O-N 3.41Å; M357-I361 HydrophobicContact SD-CD1 4.04Å; M357-I361 HydrophobicContact SD-CG1 4.36Å; M357-M415 HydrophobicContact CE-SD 3.52Å; M357-M415 VanDerWaalsContact CE-SD 3.52Å; M357-F418 HydrophobicContact CB-CE1 4.28Å; M357-F418 HydrophobicContact CB-CZ 3.83Å; M357-F418 HydrophobicContact CE-CD1 4Å; M357-F418 HydrophobicContact CE-CE1 4Å; M357-F418 HydrophobicContact CE-CG 4.29Å; M357-F418 HydrophobicContact CE-CZ 4.26Å; M357-F418 HydrophobicContact CG-CE1 4.26Å; M357-F418 HydrophobicContact CG-CZ 4.31Å
358	G	97.4	Very high	94.4	Very high	30 Å²	30	50.7 Å²	50.7	31%	0.309	27%	0.272	S	S	.	.	H	α-helix	trans	-58.7	-43.4	178.2	0	0	0	0	0	112	L354 I355 C360 I361 V362	L354-G358 PolarHBondContact O-N 2.88Å; I355-G358 PolarHBondContact O-N 3.25Å; G358-C360 PolarHBondContact O-N 3.22Å; G358-I361 PolarHBondContact O-N 3.06Å; G358-V362 WeakPolarHBondContact O-CB 3.49Å; G358-V362 VanDerWaalsContact O-CG2 3.25Å; G358-V362 WeakPolarHBondContact O-CG2 3.34Å; G358-V362 PolarHBondContact O-N 3.36Å
359	F	96.7	Very high	93.8	Very high	64 Å²	64	55.1 Å²	55.1	28%	0.281	30%	0.302	S	S	.	.	H	α-helix	trans	-58.6	-45.6	174.9	173.7	-97.1	0	0	0	112.2	M327 F328 V331 I355 L356 M357 W363	M327-F359 HydrophobicContact CE-CE1 4.35Å; M327-F359 HydrophobicContact CE-CZ 3.8Å; F328-F359 AromaticContact CD1-CE1 3.53Å; F328-F359 HydrophobicContact CD1-CE1 3.53Å; F328-F359 HydrophobicContact CD1-CZ 4.17Å; F328-F359 AromaticContact CE1-CE1 3.54Å; F328-F359 HydrophobicContact CE1-CE1 3.54Å; F328-F359 HydrophobicContact CE1-CZ 4.06Å; V331-F359 HydrophobicContact CB-CE1 4.27Å; V331-F359 HydrophobicContact CG1-CD1 3.95Å; V331-F359 HydrophobicContact CG1-CE1 4.16Å; V331-F359 HydrophobicContact CG1-CG 4.19Å; V331-F359 HydrophobicContact CG2-CE1 4.05Å; V331-F359 HydrophobicContact CG2-CE2 4.36Å; V331-F359 HydrophobicContact CG2-CZ 3.91Å; I355-F359 VanDerWaalsContact O-CB 3.3Å; I355-F359 WeakPolarHBondContact O-CB 3.37Å; I355-F359 PolarHBondContact O-N 2.92Å; L356-F359 PolarHBondContact O-N 2.71Å; M357-F359 VanDerWaalsContact C-N 3.32Å; M357-F359 PolarHBondContact O-N 3.46Å; F359-W363 WeakPolarHBondContact O-CB 3.43Å; F359-W363 PolarHBondContact O-N 3.1Å
360	C	96	Very high	93.2	Very high	25 Å²	25	56.9 Å²	56.9	17%	0.169	32%	0.317	C	S	.	.	H	α-helix	trans	-62.1	-45	177.7	-65.8	0	0	0	0	112.2	L356 M357 G358 L364	L356-C360 PolarHBondContact O-N 3.48Å; L356-C360 VanDerWaalsContact O-N 3.08Å; L356-C360 PolarHBondContact O-SG 2.96Å; M357-C360 PolarHBondContact O-N 3.18Å; M357-C360 VanDerWaalsContact O-N 3.17Å; G358-C360 PolarHBondContact O-N 3.22Å; C360-L364 WeakPolarHBondContact O-CB 3.43Å; C360-L364 PolarHBondContact O-N 3.2Å
361	I	95.6	Very high	92.5	Very high	87 Å²	87	61 Å²	61	45%	0.446	34%	0.338	S	S	.	.	H	α-helix	trans	-65.7	-49.1	-180	-66.9	170.9	0	0	0	110.6	M357 G358 W363 L364 L365	M357-I361 HydrophobicContact CG-CD1 3.92Å; M357-I361 WeakPolarHBondContact O-CG1 3.34Å; M357-I361 PolarHBondContact O-N 3.41Å; M357-I361 HydrophobicContact SD-CD1 4.04Å; M357-I361 HydrophobicContact SD-CG1 4.36Å; G358-I361 PolarHBondContact O-N 3.06Å; I361-W363 VanDerWaalsContact C-N 3.33Å; I361-W363 PolarHBondContact O-N 3.39Å; I361-L364 PolarHBondContact O-N 3.27Å; I361-L365 HydrophobicContact CG2-CD1 3.86Å; I361-L365 HydrophobicContact CG2-CG 4.44Å; I361-L365 WeakPolarHBondContact O-CB 3.37Å; I361-L365 WeakPolarHBondContact O-CG 3.29Å; I361-L365 PolarHBondContact O-N 3.48Å
362	V	94.8	Very high	91.9	Very high	102 Å²	102	60.4 Å²	60.4	62%	0.618	34%	0.338	S	S	*	.	H	α-helix	trans	-61.3	-43.6	178.9	170.7	0	0	0	0	110.4	G358 N366	G358-V362 WeakPolarHBondContact O-CB 3.49Å; G358-V362 VanDerWaalsContact O-CG2 3.25Å; G358-V362 WeakPolarHBondContact O-CG2 3.34Å; G358-V362 PolarHBondContact O-N 3.36Å; V362-N366 WeakPolarHBondContact O-CA 3.38Å; V362-N366 WeakPolarHBondContact O-CB 3.44Å; V362-N366 PolarHBondContact O-N 2.93Å
363	W	93.8	Very high	91.4	Very high	38 Å²	38	63.4 Å²	63.4	14%	0.144	35%	0.348	C	S	.	.	H	α-helix	trans	-61.5	-46.7	177	-176.4	97.8	0	0	0	111.9	I324 F328 F359 I361 I371 R376	I324-W363 HydrophobicContact CD1-CZ2 4.18Å; I324-W363 HydrophobicContact CG1-CZ2 4.35Å; I324-W363 HydrophobicContact CG2-CH2 4.04Å; I324-W363 HydrophobicContact CG2-CZ2 3.63Å; F328-W363 AromaticContact CE1-CD1 4Å; F328-W363 HydrophobicContact CE1-CD2 4.01Å; F328-W363 AromaticContact CE1-CG 3.97Å; F328-W363 HydrophobicContact CE1-CG 3.97Å; F328-W363 AromaticContact CZ-CD2 3.54Å; F328-W363 HydrophobicContact CZ-CD2 3.54Å; F328-W363 AromaticContact CZ-CE2 3.76Å; F328-W363 AromaticContact CZ-CE3 3.69Å; F328-W363 HydrophobicContact CZ-CE3 3.69Å; F328-W363 AromaticContact CZ-CG 3.95Å; F328-W363 HydrophobicContact CZ-CG 3.95Å; F328-W363 HydrophobicContact CZ-CH2 4.3Å; F328-W363 HydrophobicContact CZ-CZ2 4.16Å; F328-W363 HydrophobicContact CZ-CZ3 4.07Å; F359-W363 WeakPolarHBondContact O-CB 3.43Å; F359-W363 PolarHBondContact O-N 3.1Å; I361-W363 VanDerWaalsContact C-N 3.33Å; I361-W363 PolarHBondContact O-N 3.39Å; W363-I371 HydrophobicContact CZ2-CG2 4.2Å; W363-I371 VanDerWaalsContact NE1-CG2 3.32Å; W363-R376 HydrophobicContact CH2-CG 3.91Å; W363-R376 HydrophobicContact CZ3-CG 3.94Å; W363-R376 VanDerWaalsContact O-CD 3.24Å; W363-R376 WeakPolarHBondContact O-CD 3.05Å; W363-R376 PolarHBondContact O-NH1 3.24Å
364	L	93	Very high	90.9	Very high	58 Å²	58	66.7 Å²	66.7	30%	0.304	37%	0.372	S	S	.	.	H	α-helix	trans	-65.7	-46.5	-177.7	-176.7	61.8	0	0	0	111.2	C360 I361 R376 L379 I380	C360-L364 WeakPolarHBondContact O-CB 3.43Å; C360-L364 PolarHBondContact O-N 3.2Å; I361-L364 PolarHBondContact O-N 3.27Å; L364-R376 PolarHBondContact O-NH1 3.04Å; L364-L379 HydrophobicContact CD1-CD2 4.08Å; L364-I380 HydrophobicContact CD1-CD1 4.38Å; L364-I380 HydrophobicContact CD1-CG1 4.07Å; L364-I380 HydrophobicContact CG-CD1 4.33Å; L364-I380 HydrophobicContact CG-CG1 4.24Å
365	L	93.1	Very high	90.6	Very high	109 Å²	109	65 Å²	65	57%	0.571	37%	0.365	S	S	*	.	H	α-helix	trans	-89.6	-2.8	-173.3	-58.1	-176.5	0	0	0	114.6	I361 P367 I380	I361-L365 HydrophobicContact CG2-CD1 3.86Å; I361-L365 HydrophobicContact CG2-CG 4.44Å; I361-L365 WeakPolarHBondContact O-CB 3.37Å; I361-L365 WeakPolarHBondContact O-CG 3.29Å; I361-L365 PolarHBondContact O-N 3.48Å; L365-P367 VanDerWaalsContact O-CD 3.32Å; L365-P367 WeakPolarHBondContact O-CD 3.37Å; L365-P367 VanDerWaalsContact O-N 3.08Å; L365-I380 HydrophobicContact CD2-CD1 4.13Å
366	N	92	Very high	90.4	Very high	24 Å²	24	61 Å²	61	13%	0.128	34%	0.344	C	S	.	.			trans	-51.5	114.3	-178.6	172.3	4.1	0	0	0	112	V362 F368 R376	V362-N366 WeakPolarHBondContact O-CA 3.38Å; V362-N366 WeakPolarHBondContact O-CB 3.44Å; V362-N366 PolarHBondContact O-N 2.93Å; N366-F368 VanDerWaalsContact C-N 3.3Å; N366-F368 PolarHBondContact O-N 2.98Å; N366-F368 WeakPolarHBondContact OD1-CB 3.37Å; N366-F368 WeakPolarHBondContact OD1-CD2 3.23Å; N366-F368 PolarHBondContact OD1-N 2.71Å; N366-R376 PolarHBondContact O-NH1 2.83Å; N366-R376 PolarHBondContact O-NH2 3.44Å
367	P	87.4	Confident	90.1	Very high	75 Å²	75	66.1 Å²	66.1	49%	0.487	36%	0.364	S	S	.	.			trans	-80.4	-6.6	-175.3	33.3	-36.7	0	0	0	113.6	L365 R373	L365-P367 VanDerWaalsContact O-CD 3.32Å; L365-P367 WeakPolarHBondContact O-CD 3.37Å; L365-P367 VanDerWaalsContact O-N 3.08Å; P367-R373 VanDerWaalsContact O-CZ 3.26Å; P367-R373 PolarHBondContact O-NH1 3.14Å
368	F	87.4	Confident	89.8	Confident	143 Å²	143	67.2 Å²	67.2	63%	0.627	37%	0.366	S	S	*	.	S	Bend	trans	-73.9	154.4	-178.1	-60.5	-65.8	0	0	0	111.9	N366 C370 R376	N366-F368 VanDerWaalsContact C-N 3.3Å; N366-F368 PolarHBondContact O-N 2.98Å; N366-F368 WeakPolarHBondContact OD1-CB 3.37Å; N366-F368 WeakPolarHBondContact OD1-CD2 3.23Å; N366-F368 PolarHBondContact OD1-N 2.71Å; F368-C370 PolarHBondContact O-N 3Å; F368-C370 VanDerWaalsContact O-N 3.08Å; F368-R376 PolarHBondContact O-NH2 3.07Å
369	C	77.8	Confident	89.6	Confident	112 Å²	112	68.6 Å²	68.6	76%	0.757	37%	0.366	S	S	*	.	S	Bend	trans	-72.3	5.6	-179.1	-64.9	0	0	0	0	114.4
370	C	78.2	Confident	89.6	Confident	64 Å²	64	68.3 Å²	68.3	43%	0.432	37%	0.367	S	S	.	.			trans	-87.7	164.8	173.5	57.8	0	0	0	0	111.6	F368 R376	F368-C370 PolarHBondContact O-N 3Å; F368-C370 VanDerWaalsContact O-N 3.08Å; C370-R376 PolarHBondContact O-NH2 3.45Å
371	I	78.2	Confident	89.5	Confident	87 Å²	87	73.2 Å²	73.2	45%	0.446	39%	0.385	S	S	.	.	S	Bend	trans	57.7	66.1	170.6	-45.6	173.4	0	0	0	112.2	W363 R373 R376	W363-I371 HydrophobicContact CZ2-CG2 4.2Å; W363-I371 VanDerWaalsContact NE1-CG2 3.32Å; I371-R373 VanDerWaalsContact C-N 3.32Å; I371-R373 PolarHBondContact O-N 2.76Å; I371-R373 VanDerWaalsContact O-N 3.12Å; I371-R376 PolarHBondContact O-NE 2.99Å
372	A	83.2	Confident	89.5	Confident	34 Å²	34	69.5 Å²	69.5	28%	0.281	37%	0.366	S	S	.	.	S	Bend	trans	52.1	41.1	169.6	0	0	0	0	0	115.6	L316 S374 S375 R376	L316-A372 HydrophobicContact CD1-CB 4.47Å; L316-A372 HydrophobicContact CD2-CB 3.79Å; L316-A372 HydrophobicContact CG-CB 4.42Å; A372-S374 VanDerWaalsContact C-N 3.29Å; A372-S374 PolarHBondContact O-N 3.36Å; A372-S374 VanDerWaalsContact O-N 3.15Å; A372-S375 PolarHBondContact O-N 2.9Å; A372-R376 PolarHBondContact O-N 2.82Å; A372-R376 VanDerWaalsContact O-N 3.11Å
373	R	86.9	Confident	89.6	Confident	87 Å²	87	67 Å²	67	33%	0.328	35%	0.35	S	S	.	.	H	α-helix	trans	-44.4	-50.4	-178.4	-179.8	179.9	177.3	137.7	17.6	113.3	P367 I371 S375 R376 Y377	P367-R373 VanDerWaalsContact O-CZ 3.26Å; P367-R373 PolarHBondContact O-NH1 3.14Å; I371-R373 VanDerWaalsContact C-N 3.32Å; I371-R373 PolarHBondContact O-N 2.76Å; I371-R373 VanDerWaalsContact O-N 3.12Å; R373-S375 VanDerWaalsContact C-N 3.29Å; R373-S375 PolarHBondContact O-N 3.42Å; R373-R376 PolarHBondContact O-N 3.01Å; R373-Y377 HydrophobicContact CG-CD2 3.63Å; R373-Y377 HydrophobicContact CG-CE2 3.6Å; R373-Y377 VanDerWaalsContact NE-CE2 3.33Å; R373-Y377 PolarHBondContact NH2-OH 3.28Å; R373-Y377 VanDerWaalsContact NH2-OH 3.11Å; R373-Y377 WeakPolarHBondContact O-CD2 3.06Å; R373-Y377 PolarHBondContact O-N 2.9Å
374	S	87.1	Confident	89.7	Confident	70 Å²	70	70.7 Å²	70.7	49%	0.49	37%	0.368	S	S	.	.	H	α-helix	trans	-54.8	-45	-178.3	-165.3	0	0	0	0	112.3	A372 W378	A372-S374 VanDerWaalsContact C-N 3.29Å; A372-S374 PolarHBondContact O-N 3.36Å; A372-S374 VanDerWaalsContact O-N 3.15Å; S374-W378 WeakPolarHBondContact O-CB 3.48Å; S374-W378 PolarHBondContact O-N 3.1Å
375	S	90.9	Very high	89.9	Confident	27 Å²	27	69 Å²	69	19%	0.189	36%	0.359	C	S	.	.	H	α-helix	trans	-71.6	-34.2	-179.4	-52.9	0	0	0	0	113	L316 A372 R373 W378 L379	L316-S375 WeakPolarHBondContact CG-OG 3.44Å; A372-S375 PolarHBondContact O-N 2.9Å; R373-S375 VanDerWaalsContact C-N 3.29Å; R373-S375 PolarHBondContact O-N 3.42Å; S375-W378 WeakPolarHBondContact O-CB 3.39Å; S375-W378 PolarHBondContact O-N 3.46Å; S375-L379 PolarHBondContact O-N 2.85Å
376	R	92.4	Very high	90.1	Very high	5 Å²	5	63.9 Å²	63.9	2%	0.019	33%	0.332	C	S	.	.	H	α-helix	trans	-65.9	-44.7	174.7	-66.8	-171.6	-69.3	117.7	-2.7	111.6	W363 L364 N366 F368 C370 I371 A372 R373 W378 L379 I380	W363-R376 HydrophobicContact CH2-CG 3.91Å; W363-R376 HydrophobicContact CZ3-CG 3.94Å; W363-R376 VanDerWaalsContact O-CD 3.24Å; W363-R376 WeakPolarHBondContact O-CD 3.05Å; W363-R376 PolarHBondContact O-NH1 3.24Å; L364-R376 PolarHBondContact O-NH1 3.04Å; N366-R376 PolarHBondContact O-NH1 2.83Å; N366-R376 PolarHBondContact O-NH2 3.44Å; F368-R376 PolarHBondContact O-NH2 3.07Å; C370-R376 PolarHBondContact O-NH2 3.45Å; I371-R376 PolarHBondContact O-NE 2.99Å; A372-R376 PolarHBondContact O-N 2.82Å; A372-R376 VanDerWaalsContact O-N 3.11Å; R373-R376 PolarHBondContact O-N 3.01Å; R376-W378 VanDerWaalsContact C-N 3.35Å; R376-W378 PolarHBondContact O-N 3.25Å; R376-L379 PolarHBondContact O-N 3.14Å; R376-I380 WeakPolarHBondContact O-CG1 3.37Å; R376-I380 PolarHBondContact O-N 3.43Å
377	Y	92	Very high	90.2	Very high	107 Å²	107	67.8 Å²	67.8	42%	0.42	35%	0.348	S	S	.	.	H	α-helix	trans	-65.2	-37.3	174.3	-82.9	-81.2	0	0	0	112.6	R373 L379 I380 K381	R373-Y377 HydrophobicContact CG-CD2 3.63Å; R373-Y377 HydrophobicContact CG-CE2 3.6Å; R373-Y377 VanDerWaalsContact NE-CE2 3.33Å; R373-Y377 PolarHBondContact NH2-OH 3.28Å; R373-Y377 VanDerWaalsContact NH2-OH 3.11Å; R373-Y377 WeakPolarHBondContact O-CD2 3.06Å; R373-Y377 PolarHBondContact O-N 2.9Å; Y377-L379 VanDerWaalsContact C-N 3.35Å; Y377-I380 PolarHBondContact O-N 3.5Å; Y377-K381 WeakPolarHBondContact O-CB 3.43Å; Y377-K381 PolarHBondContact O-N 2.9Å
378	W	91.9	Very high	90.6	Very high	64 Å²	64	65.6 Å²	65.6	24%	0.242	33%	0.334	C	S	.	.	H	α-helix	trans	-57.8	-47.8	171.7	178.7	94.1	0	0	0	111	F308 I310 S374 S375 R376 K381 H382 P397	F308-W378 HydrophobicContact CB-CZ2 4.46Å; I310-W378 HydrophobicContact CD1-CZ2 4.3Å; I310-W378 HydrophobicContact CG1-CZ2 4.27Å; S374-W378 WeakPolarHBondContact O-CB 3.48Å; S374-W378 PolarHBondContact O-N 3.1Å; S375-W378 WeakPolarHBondContact O-CB 3.39Å; S375-W378 PolarHBondContact O-N 3.46Å; R376-W378 VanDerWaalsContact C-N 3.35Å; R376-W378 PolarHBondContact O-N 3.25Å; W378-K381 PolarHBondContact O-N 3.34Å; W378-H382 AromaticContact CD1-CD2 3.74Å; W378-H382 AromaticContact CD1-NE2 3.76Å; W378-H382 AromaticContact CD2-CD2 3.71Å; W378-H382 AromaticContact CE2-CD2 3.4Å; W378-H382 AromaticContact CE2-NE2 3.75Å; W378-H382 AromaticContact CG-CD2 3.93Å; W378-H382 AromaticContact CZ2-CD2 3.86Å; W378-H382 AromaticContact NE1-CD2 3.42Å; W378-H382 PolarHBondContact NE1-CD2 3.3Å; W378-H382 AromaticContact NE1-NE2 3.32Å; W378-H382 PolarHBondContact NE1-NE2 3.3Å; W378-H382 PolarHBondContact O-CD2 2.98Å; W378-H382 PolarHBondContact O-N 3.05Å; W378-H382 VanDerWaalsContact O-N 3.1Å; W378-P397 HydrophobicContact CH2-CB 4.24Å; W378-P397 HydrophobicContact CZ2-CB 3.71Å; W378-P397 HydrophobicContact CZ2-CG 4Å
379	L	94.3	Very high	90.5	Very high	58 Å²	58	58.8 Å²	58.8	30%	0.304	30%	0.304	S	S	.	.	H	α-helix	trans	-62.1	-49.5	178.3	-179.9	63.1	0	0	0	111.6	L364 S375 R376 Y377 K381 H382 V383 L401	L364-L379 HydrophobicContact CD1-CD2 4.08Å; S375-L379 PolarHBondContact O-N 2.85Å; R376-L379 PolarHBondContact O-N 3.14Å; Y377-L379 VanDerWaalsContact C-N 3.35Å; L379-K381 VanDerWaalsContact C-N 3.31Å; L379-K381 PolarHBondContact O-N 2.99Å; L379-H382 PolarHBondContact O-N 3.44Å; L379-V383 HydrophobicContact CD1-CG2 3.9Å; L379-V383 HydrophobicContact CG-CG2 4.18Å; L379-V383 WeakPolarHBondContact O-CB 3.26Å; L379-V383 VanDerWaalsContact O-CG2 3.26Å; L379-V383 WeakPolarHBondContact O-CG2 3.36Å; L379-V383 PolarHBondContact O-N 3.47Å; L379-L401 HydrophobicContact CD1-CD2 4.4Å
380	I	95.6	Very high	91	Very high	59 Å²	59	55.9 Å²	55.9	30%	0.303	28%	0.284	S	S	.	.	H	α-helix	trans	-57.4	-45.2	179.5	-68.8	165.8	0	0	0	110.9	L364 L365 R376 Y377 F384	L364-I380 HydrophobicContact CD1-CD1 4.38Å; L364-I380 HydrophobicContact CD1-CG1 4.07Å; L364-I380 HydrophobicContact CG-CD1 4.33Å; L364-I380 HydrophobicContact CG-CG1 4.24Å; L365-I380 HydrophobicContact CD2-CD1 4.13Å; R376-I380 WeakPolarHBondContact O-CG1 3.37Å; R376-I380 PolarHBondContact O-N 3.43Å; Y377-I380 PolarHBondContact O-N 3.5Å; I380-F384 VanDerWaalsContact O-CB 3.28Å; I380-F384 WeakPolarHBondContact O-CB 3.41Å; I380-F384 PolarHBondContact O-N 2.86Å
381	K	94.8	Very high	91.7	Very high	127 Å²	127	60.6 Å²	60.6	55%	0.552	30%	0.297	S	S	*	.	H	α-helix	trans	-58.9	-49.9	178.2	179	-171.1	173.8	-168.9	0	111.8	Y377 W378 L379 F384 N385	Y377-K381 WeakPolarHBondContact O-CB 3.43Å; Y377-K381 PolarHBondContact O-N 2.9Å; W378-K381 PolarHBondContact O-N 3.34Å; L379-K381 VanDerWaalsContact C-N 3.31Å; L379-K381 PolarHBondContact O-N 2.99Å; K381-F384 WeakPolarHBondContact O-CB 3.43Å; K381-F384 PolarHBondContact O-N 3.05Å; K381-N385 VanDerWaalsContact O-CG 3.25Å; K381-N385 PolarHBondContact O-N 3.08Å; K381-N385 PolarHBondContact O-OD1 2.93Å
382	H	95.5	Very high	92.1	Very high	10 Å²	10	59.7 Å²	59.7	5%	0.046	29%	0.291	C	S	.	.	H	α-helix	trans	-74	-33.5	-176.7	-74.2	-68.2	0	0	0	112.8	W378 L379 N385 C386 D398 L401	W378-H382 AromaticContact CD1-CD2 3.74Å; W378-H382 AromaticContact CD1-NE2 3.76Å; W378-H382 AromaticContact CD2-CD2 3.71Å; W378-H382 AromaticContact CE2-CD2 3.4Å; W378-H382 AromaticContact CE2-NE2 3.75Å; W378-H382 AromaticContact CG-CD2 3.93Å; W378-H382 AromaticContact CZ2-CD2 3.86Å; W378-H382 AromaticContact NE1-CD2 3.42Å; W378-H382 PolarHBondContact NE1-CD2 3.3Å; W378-H382 AromaticContact NE1-NE2 3.32Å; W378-H382 PolarHBondContact NE1-NE2 3.3Å; W378-H382 PolarHBondContact O-CD2 2.98Å; W378-H382 PolarHBondContact O-N 3.05Å; W378-H382 VanDerWaalsContact O-N 3.1Å; L379-H382 PolarHBondContact O-N 3.44Å; H382-N385 PolarHBondContact O-N 3.26Å; H382-C386 PolarHBondContact O-N 2.96Å; H382-C386 PolarHBondContact O-SG 3.44Å; H382-D398 IonicContact CE1-OD1 3.94Å; H382-D398 IonicContact CG-OD1 3.64Å; H382-D398 IonicContact ND1-OD1 3Å; H382-D398 PolarHBondContact ND1-OD1 3.26Å; H382-L401 HydrophobicContact CB-CD2 4.24Å
383	V	96.3	Very high	92.6	Very high	48 Å²	48	65.8 Å²	65.8	29%	0.291	31%	0.308	S	S	.	.	H	α-helix	trans	-61.1	-47.1	169.4	171.7	0	0	0	0	110.3	L379 N385 C386 F387 L401	L379-V383 HydrophobicContact CD1-CG2 3.9Å; L379-V383 HydrophobicContact CG-CG2 4.18Å; L379-V383 WeakPolarHBondContact O-CB 3.26Å; L379-V383 VanDerWaalsContact O-CG2 3.26Å; L379-V383 WeakPolarHBondContact O-CG2 3.36Å; L379-V383 PolarHBondContact O-N 3.47Å; V383-N385 PolarHBondContact O-N 3.18Å; V383-C386 VanDerWaalsContact O-CB 3.32Å; V383-C386 WeakPolarHBondContact O-CB 3.48Å; V383-C386 PolarHBondContact O-N 3.44Å; V383-C386 VanDerWaalsContact O-N 3.12Å; V383-F387 HydrophobicContact CG1-CD2 3.95Å; V383-F387 HydrophobicContact CG1-CE2 3.85Å; V383-F387 WeakPolarHBondContact O-CD2 3.38Å; V383-F387 PolarHBondContact O-N 3.24Å; V383-L401 HydrophobicContact CB-CD2 4.38Å; V383-L401 HydrophobicContact CG2-CD2 3.62Å
384	F	96.8	Very high	92.9	Very high	116 Å²	116	62 Å²	62	51%	0.509	29%	0.294	S	S	.	.	H	α-helix	trans	-56.8	-50.7	176.7	175.1	-95.4	0	0	0	111.1	I380 K381 C386 F387 T388 H392	I380-F384 VanDerWaalsContact O-CB 3.28Å; I380-F384 WeakPolarHBondContact O-CB 3.41Å; I380-F384 PolarHBondContact O-N 2.86Å; K381-F384 WeakPolarHBondContact O-CB 3.43Å; K381-F384 PolarHBondContact O-N 3.05Å; F384-C386 PolarHBondContact O-N 3.42Å; F384-F387 PolarHBondContact O-N 3.45Å; F384-T388 HydrophobicContact CD2-CG2 4.4Å; F384-T388 HydrophobicContact CE1-CG2 4.13Å; F384-T388 HydrophobicContact CE2-CG2 3.93Å; F384-T388 HydrophobicContact CZ-CG2 3.79Å; F384-T388 PolarHBondContact O-N 2.65Å; F384-T388 PolarHBondContact O-OG1 3.15Å; F384-H392 AromaticContact CE1-NE2 3.78Å
385	N	96.2	Very high	93	Very high	23 Å²	23	59.8 Å²	59.8	12%	0.123	28%	0.278	C	S	.	.	H	α-helix	trans	-57.1	-31.9	176.6	-71.2	-8.6	0	0	0	113.5	K381 H382 V383 T388 A389 D398	K381-N385 VanDerWaalsContact O-CG 3.25Å; K381-N385 PolarHBondContact O-N 3.08Å; K381-N385 PolarHBondContact O-OD1 2.93Å; H382-N385 PolarHBondContact O-N 3.26Å; V383-N385 PolarHBondContact O-N 3.18Å; N385-T388 CarbonylContact O-C 3.54Å; N385-A389 VanDerWaalsContact O-CA 3.24Å; N385-A389 WeakPolarHBondContact O-CA 3.44Å; N385-A389 PolarHBondContact O-N 3.47Å; N385-D398 WeakPolarHBondContact CB-OD1 3.37Å; N385-D398 PolarHBondContact ND2-OD1 3.11Å
386	C	96.4	Very high	93	Very high	1 Å²	1	59.2 Å²	59.2	1%	0.007	27%	0.272	C	S	.	.	H	α-helix	trans	-64.4	-50.7	174.3	-68.4	0	0	0	0	110.9	H382 V383 F384 T388 A389 D398 M405 I488	H382-C386 PolarHBondContact O-N 2.96Å; H382-C386 PolarHBondContact O-SG 3.44Å; V383-C386 VanDerWaalsContact O-CB 3.32Å; V383-C386 WeakPolarHBondContact O-CB 3.48Å; V383-C386 PolarHBondContact O-N 3.44Å; V383-C386 VanDerWaalsContact O-N 3.12Å; F384-C386 PolarHBondContact O-N 3.42Å; C386-T388 VanDerWaalsContact C-N 3.25Å; C386-T388 PolarHBondContact O-N 2.91Å; C386-A389 VanDerWaalsContact O-CB 3.3Å; C386-A389 WeakPolarHBondContact O-CB 3.4Å; C386-A389 PolarHBondContact O-N 3.33Å; C386-D398 PolarHBondContact SG-O 3.26Å; C386-M405 HydrophobicContact CB-SD 4.36Å; C386-I488 HydrophobicContact CB-CG2 3.98Å; C386-I488 VanDerWaalsContact O-CG2 3.32Å; C386-I488 WeakPolarHBondContact O-CG2 3.38Å
387	F	95.5	Very high	93.1	Very high	106 Å²	106	59 Å²	59	47%	0.465	27%	0.271	S	S	.	.	H	α-helix	trans	-69.6	-22.1	-179.7	-75.1	-77.4	0	0	0	113.4	V383 F384 M405 F412 I484 I488	V383-F387 HydrophobicContact CG1-CD2 3.95Å; V383-F387 HydrophobicContact CG1-CE2 3.85Å; V383-F387 WeakPolarHBondContact O-CD2 3.38Å; V383-F387 PolarHBondContact O-N 3.24Å; F384-F387 PolarHBondContact O-N 3.45Å; F387-M405 HydrophobicContact CD2-CE 4.29Å; F387-M405 HydrophobicContact CE1-CE 4.33Å; F387-M405 HydrophobicContact CE2-CE 3.39Å; F387-M405 HydrophobicContact CZ-CE 3.4Å; F387-M405 VanDerWaalsContact CZ-CE 3.4Å; F387-F412 HydrophobicContact CZ-CE1 4.25Å; F387-I484 HydrophobicContact CE1-CG2 4.01Å; F387-I488 HydrophobicContact CD1-CD1 3.72Å; F387-I488 HydrophobicContact CE1-CD1 3.64Å; F387-I488 HydrophobicContact CG-CD1 4.32Å; F387-I488 HydrophobicContact CZ-CD1 4.18Å
388	T	95.4	Very high	93.3	Very high	29 Å²	29	54 Å²	54	18%	0.178	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	18.7	177.2	58.7	0	0	0	0	113.4	F384 N385 C386 P390 F391 H392	F384-T388 HydrophobicContact CD2-CG2 4.4Å; F384-T388 HydrophobicContact CE1-CG2 4.13Å; F384-T388 HydrophobicContact CE2-CG2 3.93Å; F384-T388 HydrophobicContact CZ-CG2 3.79Å; F384-T388 PolarHBondContact O-N 2.65Å; F384-T388 PolarHBondContact O-OG1 3.15Å; N385-T388 CarbonylContact O-C 3.54Å; C386-T388 VanDerWaalsContact C-N 3.25Å; C386-T388 PolarHBondContact O-N 2.91Å; T388-P390 VanDerWaalsContact O-CD 3.27Å; T388-P390 WeakPolarHBondContact O-CD 3.36Å; T388-F391 WeakPolarHBondContact O-CB 3.48Å; T388-F391 WeakPolarHBondContact O-CD2 3.49Å; T388-F391 PolarHBondContact O-N 2.93Å; T388-H392 PolarHBondContact O-CD2 3.41Å; T388-H392 PolarHBondContact OG1-CD2 3.47Å; T388-H392 PolarHBondContact OG1-NE2 2.91Å
389	A	85.5	Confident	93.4	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.008	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.5	-32.4	-171	0	0	0	0	0	118.5	N385 C386 F391 Q492	N385-A389 VanDerWaalsContact O-CA 3.24Å; N385-A389 WeakPolarHBondContact O-CA 3.44Å; N385-A389 PolarHBondContact O-N 3.47Å; C386-A389 VanDerWaalsContact O-CB 3.3Å; C386-A389 WeakPolarHBondContact O-CB 3.4Å; C386-A389 PolarHBondContact O-N 3.33Å; A389-F391 PolarHBondContact O-N 3.2Å; A389-Q492 HydrophobicContact CB-CB 4.44Å; A389-Q492 HydrophobicContact CB-CG 3.41Å; A389-Q492 VanDerWaalsContact CB-CG 3.41Å
390	P	88.3	Confident	93.5	Very high	50 Å²	50	49.6 Å²	49.6	33%	0.325	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-19.4	175.8	25.6	-33.3	0	0	0	113.1	T388	T388-P390 VanDerWaalsContact O-CD 3.27Å; T388-P390 WeakPolarHBondContact O-CD 3.36Å
391	F	92.5	Very high	93.6	Very high	164 Å²	164	47.9 Å²	47.9	72%	0.719	22%	0.223	S	C	*	.	S	Bend	trans	-99.9	-9.2	-170.7	-52.9	-62	0	0	0	114.9	T388 A389	T388-F391 WeakPolarHBondContact O-CB 3.48Å; T388-F391 WeakPolarHBondContact O-CD2 3.49Å; T388-F391 PolarHBondContact O-N 2.93Å; A389-F391 PolarHBondContact O-N 3.2Å
392	H	87.6	Confident	93.7	Very high	68 Å²	68	41.8 Å²	41.8	32%	0.315	20%	0.196	S	C	.	.	S	Bend	trans	-124.4	158	-177.8	-55.3	-77.4	0	0	0	111.9	F384 T388 V394 R495	F384-H392 AromaticContact CE1-NE2 3.78Å; T388-H392 PolarHBondContact O-CD2 3.41Å; T388-H392 PolarHBondContact OG1-CD2 3.47Å; T388-H392 PolarHBondContact OG1-NE2 2.91Å; H392-V394 PolarHBondContact O-N 3.47Å; H392-R495 WeakPolarHBondContact O-CG 3.39Å; H392-R495 PolarHBondContact O-NE 3.31Å
393	Y	91.9	Very high	93.7	Very high	161 Å²	161	41.4 Å²	41.4	63%	0.631	19%	0.194	S	C	*	.			trans	-68.2	129.9	168.5	-178.6	-97.4	0	0	0	109.5	T395 D499	Y393-T395 HydrophobicContact CD1-CG2 4.02Å; Y393-T395 HydrophobicContact CE1-CG2 4.29Å; Y393-D499 WeakPolarHBondContact CD2-OD2 3.23Å
394	V	93.5	Very high	93.8	Very high	7 Å²	7	39.6 Å²	39.6	4%	0.042	18%	0.183	C	C	.	.			trans	-91	110.6	-174.3	-178	0	0	0	0	109.9	H392 D398 F399 Q492 R495 R496	H392-V394 PolarHBondContact O-N 3.47Å; V394-D398 HydrophobicContact CG1-CB 4.06Å; V394-F399 HydrophobicContact CG1-CB 4.14Å; V394-F399 HydrophobicContact CG1-CD1 4.16Å; V394-Q492 HydrophobicContact CG1-CB 4.09Å; V394-Q492 HydrophobicContact CG1-CG 4.04Å; V394-Q492 HydrophobicContact CG2-CB 4.13Å; V394-Q492 HydrophobicContact CG2-CG 4.04Å; V394-R495 HydrophobicContact CG2-CB 4.07Å; V394-R495 HydrophobicContact CG2-CG 3.77Å; V394-R496 HydrophobicContact CB-CG 3.79Å; V394-R496 HydrophobicContact CG1-CG 4.21Å; V394-R496 HydrophobicContact CG2-CG 4.32Å
395	T	90.3	Very high	93.8	Very high	24 Å²	24	34.6 Å²	34.6	15%	0.147	16%	0.161	C	C	.	.			trans	-87.1	172.9	176.6	62.8	0	0	0	0	112	Y393 D398 F399	Y393-T395 HydrophobicContact CD1-CG2 4.02Å; Y393-T395 HydrophobicContact CE1-CG2 4.29Å; T395-D398 WeakPolarHBondContact CB-OD2 3.38Å; T395-D398 PolarHBondContact N-OD2 2.93Å; T395-D398 PolarHBondContact O-N 2.82Å; T395-D398 PolarHBondContact OG1-OD2 3.22Å; T395-F399 WeakPolarHBondContact O-CD1 3.49Å; T395-F399 PolarHBondContact O-N 3.33Å
396	F	91.2	Very high	93.8	Very high	15 Å²	15	34.9 Å²	34.9	7%	0.066	16%	0.163	C	C	.	.	H	α-helix	trans	-57.6	-48.6	176.8	-176.4	-80.1	0	0	0	113.3	I307 F308 D398 F399 W400 L644 E647	I307-F396 HydrophobicContact CG2-CD1 3.71Å; I307-F396 HydrophobicContact CG2-CD2 4.26Å; I307-F396 HydrophobicContact CG2-CE1 3.46Å; I307-F396 VanDerWaalsContact CG2-CE1 3.46Å; I307-F396 HydrophobicContact CG2-CE2 4.07Å; I307-F396 HydrophobicContact CG2-CG 4.13Å; I307-F396 HydrophobicContact CG2-CZ 3.67Å; I307-F396 WeakPolarHBondContact O-CD1 3.45Å; F308-F396 HydrophobicContact CD1-CD1 4.05Å; F308-F396 HydrophobicContact CD1-CE1 4.1Å; F308-F396 HydrophobicContact CE1-CD1 4.11Å; F308-F396 AromaticContact CE1-CE1 3.76Å; F308-F396 HydrophobicContact CE1-CE1 3.76Å; F308-F396 HydrophobicContact CZ-CE1 4.18Å; F396-D398 VanDerWaalsContact C-N 3.29Å; F396-D398 PolarHBondContact O-N 3.42Å; F396-F399 VanDerWaalsContact CA-CE1 3.41Å; F396-F399 HydrophobicContact CB-CE1 4.14Å; F396-F399 HydrophobicContact CB-CZ 4.11Å; F396-F399 HydrophobicContact CD2-CE1 4.1Å; F396-F399 AromaticContact CD2-CE2 3.8Å; F396-F399 HydrophobicContact CD2-CE2 3.8Å; F396-F399 AromaticContact CD2-CZ 3.24Å; F396-F399 HydrophobicContact CD2-CZ 3.24Å; F396-F399 AromaticContact CE2-CE2 3.86Å; F396-F399 HydrophobicContact CE2-CE2 3.86Å; F396-F399 AromaticContact CE2-CZ 3.74Å; F396-F399 HydrophobicContact CE2-CZ 3.74Å; F396-F399 HydrophobicContact CG-CE1 4.37Å; F396-F399 HydrophobicContact CG-CE2 4.34Å; F396-F399 AromaticContact CG-CZ 3.84Å; F396-F399 HydrophobicContact CG-CZ 3.84Å; F396-F399 HydrophobicContact CZ-CE2 4.5Å; F396-F399 PolarHBondContact O-N 3.17Å; F396-W400 HydrophobicContact CD1-CB 4.36Å; F396-W400 HydrophobicContact CE1-CB 4.02Å; F396-W400 HydrophobicContact CE1-CG 4.28Å; F396-W400 WeakPolarHBondContact O-CB 3.27Å; F396-W400 PolarHBondContact O-N 2.89Å; F396-L644 HydrophobicContact CE1-CD1 4Å; F396-L644 HydrophobicContact CZ-CD1 3.84Å; F396-E647 HydrophobicContact CD2-CG 3.95Å; F396-E647 HydrophobicContact CE2-CB 4.09Å; F396-E647 HydrophobicContact CE2-CG 3.46Å; F396-E647 VanDerWaalsContact CE2-CG 3.46Å; F396-E647 HydrophobicContact CZ-CB 4.46Å; F396-E647 HydrophobicContact CZ-CG 4.16Å
397	P	93.8	Very high	93.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-56.2	-40.1	176.3	-27.4	35.2	0	0	0	114	F308 W378 W400 L401	F308-P397 HydrophobicContact CD1-CB 4.43Å; F308-P397 HydrophobicContact CD1-CG 4.28Å; F308-P397 WeakPolarHBondContact O-CG 3.5Å; W378-P397 HydrophobicContact CH2-CB 4.24Å; W378-P397 HydrophobicContact CZ2-CB 3.71Å; W378-P397 HydrophobicContact CZ2-CG 4Å; P397-W400 PolarHBondContact O-N 2.68Å; P397-L401 VanDerWaalsContact O-CB 3.23Å; P397-L401 WeakPolarHBondContact O-CB 3.35Å; P397-L401 PolarHBondContact O-N 3.34Å
398	D	95.3	Very high	93.9	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.011	15%	0.146	C	C	.	.	H	α-helix	trans	-62.1	-49.5	-176	-58.4	-42.2	0	0	0	111.4	H382 N385 C386 V394 T395 F396 A402 Q492	H382-D398 IonicContact CE1-OD1 3.94Å; H382-D398 IonicContact CG-OD1 3.64Å; H382-D398 IonicContact ND1-OD1 3Å; H382-D398 PolarHBondContact ND1-OD1 3.26Å; N385-D398 WeakPolarHBondContact CB-OD1 3.37Å; N385-D398 PolarHBondContact ND2-OD1 3.11Å; C386-D398 PolarHBondContact SG-O 3.26Å; V394-D398 HydrophobicContact CG1-CB 4.06Å; T395-D398 WeakPolarHBondContact CB-OD2 3.38Å; T395-D398 PolarHBondContact N-OD2 2.93Å; T395-D398 PolarHBondContact O-N 2.82Å; T395-D398 PolarHBondContact OG1-OD2 3.22Å; F396-D398 VanDerWaalsContact C-N 3.29Å; F396-D398 PolarHBondContact O-N 3.42Å; D398-A402 PolarHBondContact O-N 3.3Å; D398-A402 VanDerWaalsContact O-N 3.12Å; D398-Q492 VanDerWaalsContact C-NE2 3.28Å; D398-Q492 PolarHBondContact O-NE2 2.89Å
399	F	94.6	Very high	93.9	Very high	12 Å²	12	31.2 Å²	31.2	5%	0.053	15%	0.148	C	C	.	.	H	α-helix	trans	-76.7	-30.1	-179.7	69.8	-109.6	0	0	0	112.7	V394 T395 F396 L401 A402 D403 Q492	V394-F399 HydrophobicContact CG1-CB 4.14Å; V394-F399 HydrophobicContact CG1-CD1 4.16Å; T395-F399 WeakPolarHBondContact O-CD1 3.49Å; T395-F399 PolarHBondContact O-N 3.33Å; F396-F399 VanDerWaalsContact CA-CE1 3.41Å; F396-F399 HydrophobicContact CB-CE1 4.14Å; F396-F399 HydrophobicContact CB-CZ 4.11Å; F396-F399 HydrophobicContact CD2-CE1 4.1Å; F396-F399 AromaticContact CD2-CE2 3.8Å; F396-F399 HydrophobicContact CD2-CE2 3.8Å; F396-F399 AromaticContact CD2-CZ 3.24Å; F396-F399 HydrophobicContact CD2-CZ 3.24Å; F396-F399 AromaticContact CE2-CE2 3.86Å; F396-F399 HydrophobicContact CE2-CE2 3.86Å; F396-F399 AromaticContact CE2-CZ 3.74Å; F396-F399 HydrophobicContact CE2-CZ 3.74Å; F396-F399 HydrophobicContact CG-CE1 4.37Å; F396-F399 HydrophobicContact CG-CE2 4.34Å; F396-F399 AromaticContact CG-CZ 3.84Å; F396-F399 HydrophobicContact CG-CZ 3.84Å; F396-F399 HydrophobicContact CZ-CE2 4.5Å; F396-F399 PolarHBondContact O-N 3.17Å; F399-L401 VanDerWaalsContact C-N 3.32Å; F399-A402 PolarHBondContact O-N 2.89Å; F399-D403 WeakPolarHBondContact O-CB 3.44Å; F399-D403 VanDerWaalsContact O-CG 3.3Å; F399-D403 PolarHBondContact O-N 2.97Å; F399-Q492 VanDerWaalsContact CA-OE1 3.28Å
400	W	96.5	Very high	94.4	Very high	18 Å²	18	32.3 Å²	32.3	7%	0.068	16%	0.155	C	C	.	.	H	α-helix	trans	-64.3	-39.8	174.1	175.4	87.8	0	0	0	111.4	M290 F308 F396 P397 D403 Q404 N640	M290-W400 HydrophobicContact CE-CH2 3.53Å; M290-W400 HydrophobicContact CE-CZ2 3.61Å; M290-W400 HydrophobicContact CE-CZ3 4.45Å; M290-W400 HydrophobicContact CG-CH2 4.3Å; M290-W400 HydrophobicContact SD-CH2 3.64Å; M290-W400 HydrophobicContact SD-CZ2 3.49Å; M290-W400 WeakPolarHBondContact SD-CZ2 3.49Å; F308-W400 HydrophobicContact CE1-CB 4.1Å; F308-W400 AromaticContact CE1-CD2 3.39Å; F308-W400 HydrophobicContact CE1-CD2 3.39Å; F308-W400 AromaticContact CE1-CE2 3.89Å; F308-W400 AromaticContact CE1-CE3 3.58Å; F308-W400 HydrophobicContact CE1-CE3 3.58Å; F308-W400 AromaticContact CE1-CG 3.61Å; F308-W400 HydrophobicContact CE1-CG 3.61Å; F308-W400 HydrophobicContact CE1-CZ2 4.49Å; F308-W400 HydrophobicContact CE1-CZ3 4.21Å; F308-W400 AromaticContact CZ-CD2 3.63Å; F308-W400 HydrophobicContact CZ-CD2 3.63Å; F308-W400 AromaticContact CZ-CE2 3.59Å; F308-W400 HydrophobicContact CZ-CE3 4.07Å; F308-W400 AromaticContact CZ-CG 3.97Å; F308-W400 HydrophobicContact CZ-CG 3.97Å; F308-W400 HydrophobicContact CZ-CH2 4.41Å; F308-W400 HydrophobicContact CZ-CZ2 4.01Å; F308-W400 HydrophobicContact CZ-CZ3 4.43Å; F308-W400 AromaticContact CZ-NE1 3.87Å; F396-W400 HydrophobicContact CD1-CB 4.36Å; F396-W400 HydrophobicContact CE1-CB 4.02Å; F396-W400 HydrophobicContact CE1-CG 4.28Å; F396-W400 WeakPolarHBondContact O-CB 3.27Å; F396-W400 PolarHBondContact O-N 2.89Å; P397-W400 PolarHBondContact O-N 2.68Å; W400-D403 WeakPolarHBondContact O-CB 3.33Å; W400-D403 PolarHBondContact O-N 2.92Å; W400-Q404 HydrophobicContact CD2-CG 4.19Å; W400-Q404 HydrophobicContact CE3-CG 4.07Å; W400-Q404 HydrophobicContact CH2-CG 3.69Å; W400-Q404 HydrophobicContact CZ2-CG 3.8Å; W400-Q404 HydrophobicContact CZ3-CG 3.83Å; W400-Q404 WeakPolarHBondContact O-CG 3.22Å; W400-Q404 PolarHBondContact O-N 3.2Å; W400-Q404 PolarHBondContact O-NE2 3.2Å; W400-N640 PolarHBondContact NE1-OD1 2.92Å
401	L	96.9	Very high	94.7	Very high	23 Å²	23	31.6 Å²	31.6	12%	0.12	15%	0.147	C	C	.	.	H	α-helix	trans	-68.7	-42.6	177.7	-174	62.2	0	0	0	111.4	L379 H382 V383 P397 F399 D403 Q404 M405	L379-L401 HydrophobicContact CD1-CD2 4.4Å; H382-L401 HydrophobicContact CB-CD2 4.24Å; V383-L401 HydrophobicContact CB-CD2 4.38Å; V383-L401 HydrophobicContact CG2-CD2 3.62Å; P397-L401 VanDerWaalsContact O-CB 3.23Å; P397-L401 WeakPolarHBondContact O-CB 3.35Å; P397-L401 PolarHBondContact O-N 3.34Å; F399-L401 VanDerWaalsContact C-N 3.32Å; L401-D403 PolarHBondContact O-N 3.2Å; L401-Q404 WeakPolarHBondContact O-CA 3.46Å; L401-Q404 WeakPolarHBondContact O-CB 3.47Å; L401-Q404 PolarHBondContact O-N 2.95Å; L401-M405 WeakPolarHBondContact O-CG 3.38Å; L401-M405 PolarHBondContact O-N 3.47Å
402	A	97.2	Very high	94.9	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-59.8	-34.7	171.1	0	0	0	0	0	112.3	D398 F399 M405 N406 I488 R489 Q492	D398-A402 PolarHBondContact O-N 3.3Å; D398-A402 VanDerWaalsContact O-N 3.12Å; F399-A402 PolarHBondContact O-N 2.89Å; A402-M405 WeakPolarHBondContact O-CB 3.45Å; A402-M405 PolarHBondContact O-N 3.07Å; A402-N406 PolarHBondContact O-N 2.99Å; A402-N406 PolarHBondContact O-ND2 3.4Å; A402-I488 HydrophobicContact CB-CG2 3.78Å; A402-R489 HydrophobicContact CB-CB 4.48Å; A402-R489 HydrophobicContact CB-CG 4.02Å; A402-Q492 VanDerWaalsContact CB-OE1 3.26Å
403	D	96.8	Very high	95.2	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-64.8	-38.2	171.9	-80.2	-39.9	0	0	0	111.9	F399 W400 L401 N406 R489 Y513 R636 W639	F399-D403 WeakPolarHBondContact O-CB 3.44Å; F399-D403 VanDerWaalsContact O-CG 3.3Å; F399-D403 PolarHBondContact O-N 2.97Å; W400-D403 WeakPolarHBondContact O-CB 3.33Å; W400-D403 PolarHBondContact O-N 2.92Å; L401-D403 PolarHBondContact O-N 3.2Å; D403-N406 PolarHBondContact O-N 3.25Å; D403-R489 IonicContact OD1-NE 2.72Å; D403-R489 IonicContact OD1-NH2 3.45Å; D403-R489 IonicContact OD2-CZ 3.71Å; D403-R489 IonicContact OD2-NE 3.7Å; D403-R489 IonicContact OD2-NH2 3.7Å; D403-R489 PolarHBondContact OD2-NH2 2.89Å; D403-Y513 PolarHBondContact OD1-OH 2.84Å; D403-R636 PolarHBondContact O-NE 3.32Å; D403-R636 PolarHBondContact O-NH2 2.9Å; D403-W639 HydrophobicContact CB-CH2 4.06Å; D403-W639 HydrophobicContact CB-CZ3 4.37Å
404	Q	97.5	Very high	95.3	Very high	10 Å²	10	16.2 Å²	16.2	5%	0.047	8%	0.084	C	C	.	.	H	α-helix	trans	-63.3	-41.3	171	-53.8	-47	-66.7	0	0	111.7	W400 L401 N406 S407 L408 N640	W400-Q404 HydrophobicContact CD2-CG 4.19Å; W400-Q404 HydrophobicContact CE3-CG 4.07Å; W400-Q404 HydrophobicContact CH2-CG 3.69Å; W400-Q404 HydrophobicContact CZ2-CG 3.8Å; W400-Q404 HydrophobicContact CZ3-CG 3.83Å; W400-Q404 WeakPolarHBondContact O-CG 3.22Å; W400-Q404 PolarHBondContact O-N 3.2Å; W400-Q404 PolarHBondContact O-NE2 3.2Å; L401-Q404 WeakPolarHBondContact O-CA 3.46Å; L401-Q404 WeakPolarHBondContact O-CB 3.47Å; L401-Q404 PolarHBondContact O-N 2.95Å; Q404-N406 PolarHBondContact O-N 2.68Å; Q404-S407 PolarHBondContact O-N 3.47Å; Q404-L408 PolarHBondContact O-N 3.45Å; Q404-N640 PolarHBondContact NE2-ND2 2.56Å; Q404-N640 PolarHBondContact NE2-OD1 3.13Å; Q404-N640 PolarHBondContact OE1-ND2 3.24Å
405	M	97.3	Very high	95.4	Very high	12 Å²	12	17.3 Å²	17.3	6%	0.059	9%	0.088	C	C	.	.	H	α-helix	trans	-60.1	-32.6	-179.4	-66.4	165.8	110.1	0	0	112.7	C386 F387 L401 A402 S407 L408 V409 F412 P485 I488	C386-M405 HydrophobicContact CB-SD 4.36Å; F387-M405 HydrophobicContact CD2-CE 4.29Å; F387-M405 HydrophobicContact CE1-CE 4.33Å; F387-M405 HydrophobicContact CE2-CE 3.39Å; F387-M405 HydrophobicContact CZ-CE 3.4Å; F387-M405 VanDerWaalsContact CZ-CE 3.4Å; L401-M405 WeakPolarHBondContact O-CG 3.38Å; L401-M405 PolarHBondContact O-N 3.47Å; A402-M405 WeakPolarHBondContact O-CB 3.45Å; A402-M405 PolarHBondContact O-N 3.07Å; M405-S407 PolarHBondContact O-N 3.06Å; M405-L408 CarbonylContact O-C 3.57Å; M405-L408 WeakPolarHBondContact O-CA 3.13Å; M405-L408 PolarHBondContact O-N 3.48Å; M405-V409 PolarHBondContact O-N 2.93Å; M405-F412 HydrophobicContact CB-CE2 3.99Å; M405-F412 HydrophobicContact CB-CZ 4.43Å; M405-F412 HydrophobicContact CE-CE1 4.37Å; M405-F412 HydrophobicContact CE-CE2 4.43Å; M405-F412 HydrophobicContact CE-CZ 3.61Å; M405-F412 HydrophobicContact CG-CE2 4.19Å; M405-F412 HydrophobicContact CG-CZ 4.18Å; M405-P485 HydrophobicContact CB-CB 3.98Å; M405-P485 HydrophobicContact CB-CG 4.43Å; M405-I488 HydrophobicContact CE-CD1 4.12Å; M405-I488 HydrophobicContact SD-CD1 4.31Å
406	N	96.6	Very high	95.5	Very high	29 Å²	29	17.1 Å²	17.1	16%	0.155	9%	0.086	C	C	.	.	H	α-helix	trans	-64.4	-24.5	175.5	-82.5	-92.9	0	0	0	113	A402 D403 Q404 V409 P485 A486	A402-N406 PolarHBondContact O-N 2.99Å; A402-N406 PolarHBondContact O-ND2 3.4Å; D403-N406 PolarHBondContact O-N 3.25Å; Q404-N406 PolarHBondContact O-N 2.68Å; N406-V409 WeakPolarHBondContact O-CG2 3.48Å; N406-P485 PolarHBondContact ND2-O 2.8Å; N406-P485 VanDerWaalsContact ND2-O 3.09Å; N406-A486 PolarHBondContact OD1-N 2.78Å
407	S	96.7	Very high	95.5	Very high	5 Å²	5	16.5 Å²	16.5	4%	0.035	8%	0.083	C	C	.	.	H	α-helix	trans	-91.5	-6	173.4	-59.2	0	0	0	0	112.6	Q404 M405 E632 R636	Q404-S407 PolarHBondContact O-N 3.47Å; M405-S407 PolarHBondContact O-N 3.06Å; S407-E632 WeakPolarHBondContact CB-OE1 3.46Å; S407-E632 PolarHBondContact OG-OE1 3.16Å; S407-R636 WeakPolarHBondContact OG-CB 3.31Å; S407-R636 PolarHBondContact OG-NE 3.37Å; S407-R636 PolarHBondContact OG-NH2 3.4Å
408	L	96.8	Very high	95.6	Very high	15 Å²	15	17 Å²	17	8%	0.079	9%	0.085	C	C	.	.			trans	-107.7	20.4	178.9	-67.4	174.6	0	0	0	112.5	I282 L283 Q286 Q404 M405 T410 F411 F412	I282-L408 HydrophobicContact CG2-CD2 3.77Å; L283-L408 HydrophobicContact CD1-CD1 4.14Å; Q286-L408 HydrophobicContact CB-CD2 4.09Å; Q286-L408 HydrophobicContact CG-CD2 4.21Å; Q404-L408 PolarHBondContact O-N 3.45Å; M405-L408 CarbonylContact O-C 3.57Å; M405-L408 WeakPolarHBondContact O-CA 3.13Å; M405-L408 PolarHBondContact O-N 3.48Å; L408-T410 VanDerWaalsContact C-N 3.26Å; L408-T410 PolarHBondContact O-N 2.63Å; L408-F411 HydrophobicContact CB-CB 4.27Å; L408-F411 WeakPolarHBondContact O-CA 3.17Å; L408-F411 WeakPolarHBondContact O-CB 3.48Å; L408-F411 PolarHBondContact O-N 3.41Å; L408-F412 HydrophobicContact CB-CE2 4.32Å; L408-F412 VanDerWaalsContact O-CD2 3.23Å; L408-F412 WeakPolarHBondContact O-CD2 3.33Å; L408-F412 PolarHBondContact O-N 3.45Å; L408-F412 VanDerWaalsContact O-N 3.16Å
409	V	95.8	Very high	95.5	Very high	38 Å²	38	21.7 Å²	21.7	23%	0.23	11%	0.114	C	C	.	.	H	α-helix	trans	-55.9	-42.1	179	173.2	0	0	0	0	111.4	M405 N406 F411 F412 L413 A482 P485	M405-V409 PolarHBondContact O-N 2.93Å; N406-V409 WeakPolarHBondContact O-CG2 3.48Å; V409-F411 VanDerWaalsContact C-N 3.29Å; V409-F411 PolarHBondContact O-N 3.2Å; V409-F412 PolarHBondContact O-N 2.81Å; V409-F412 VanDerWaalsContact O-N 3.14Å; V409-L413 HydrophobicContact CG1-CD1 3.97Å; V409-L413 HydrophobicContact CG1-CG 4.35Å; V409-L413 WeakPolarHBondContact O-CG 3.45Å; V409-L413 PolarHBondContact O-N 3.12Å; V409-A482 HydrophobicContact CG1-CB 4.32Å; V409-P485 HydrophobicContact CG2-CB 4.47Å; V409-P485 HydrophobicContact CG2-CG 4.05Å
410	T	94.2	Very high	95.3	Very high	25 Å²	25	22 Å²	22	15%	0.153	12%	0.118	C	C	.	.	H	α-helix	trans	-59.3	-39.2	175.3	-55	0	0	0	0	112.2	I282 L408 L413 D414 I625 A629	I282-T410 HydrophobicContact CD1-CG2 3.53Å; L408-T410 VanDerWaalsContact C-N 3.26Å; L408-T410 PolarHBondContact O-N 2.63Å; T410-L413 PolarHBondContact O-N 3.08Å; T410-D414 WeakPolarHBondContact O-CB 3.35Å; T410-D414 VanDerWaalsContact O-CG 3.26Å; T410-D414 PolarHBondContact O-N 3.12Å; T410-I625 HydrophobicContact CG2-CG2 3.41Å; T410-I625 VanDerWaalsContact CG2-CG2 3.41Å; T410-A629 HydrophobicContact CG2-CB 4.07Å
411	F	96.6	Very high	95	Very high	34 Å²	34	21.2 Å²	21.2	15%	0.149	11%	0.114	C	C	.	.	H	α-helix	trans	-60.6	-47.7	174.4	161.4	-97.9	0	0	0	111.1	G279 L283 L408 V409 L413 D414 M415	G279-F411 WeakPolarHBondContact O-CD2 3.42Å; L283-F411 HydrophobicContact CB-CD2 4.07Å; L283-F411 HydrophobicContact CB-CE2 4.3Å; L283-F411 HydrophobicContact CD2-CD2 4.39Å; L283-F411 HydrophobicContact CD2-CE2 3.79Å; L283-F411 HydrophobicContact CD2-CZ 4.02Å; L408-F411 HydrophobicContact CB-CB 4.27Å; L408-F411 WeakPolarHBondContact O-CA 3.17Å; L408-F411 WeakPolarHBondContact O-CB 3.48Å; L408-F411 PolarHBondContact O-N 3.41Å; V409-F411 VanDerWaalsContact C-N 3.29Å; V409-F411 PolarHBondContact O-N 3.2Å; F411-L413 VanDerWaalsContact C-N 3.33Å; F411-L413 PolarHBondContact O-N 3.27Å; F411-D414 PolarHBondContact O-N 3.41Å; F411-M415 HydrophobicContact CD1-CG 4.37Å; F411-M415 HydrophobicContact CD2-CE 4.01Å; F411-M415 HydrophobicContact CD2-CG 3.9Å; F411-M415 HydrophobicContact CD2-SD 4.2Å; F411-M415 HydrophobicContact CE1-CG 3.96Å; F411-M415 HydrophobicContact CE2-CE 3.84Å; F411-M415 HydrophobicContact CE2-CG 3.45Å; F411-M415 VanDerWaalsContact CE2-CG 3.45Å; F411-M415 HydrophobicContact CE2-SD 3.49Å; F411-M415 WeakPolarHBondContact CE2-SD 3.36Å; F411-M415 HydrophobicContact CG-CG 4.35Å; F411-M415 HydrophobicContact CZ-CG 3.48Å; F411-M415 VanDerWaalsContact CZ-CG 3.48Å; F411-M415 HydrophobicContact CZ-SD 3.91Å; F411-M415 VanDerWaalsContact O-CG 3.27Å; F411-M415 WeakPolarHBondContact O-CG 2.89Å; F411-M415 PolarHBondContact O-N 2.48Å
412	F	95.9	Very high	94.8	Very high	40 Å²	40	22 Å²	22	18%	0.175	12%	0.116	C	C	.	.	H	α-helix	trans	-61.6	-40.8	178.3	-71.8	-74.4	0	0	0	112.7	F387 M405 L408 V409 D414 M415 E416 I481 P485	F387-F412 HydrophobicContact CZ-CE1 4.25Å; M405-F412 HydrophobicContact CB-CE2 3.99Å; M405-F412 HydrophobicContact CB-CZ 4.43Å; M405-F412 HydrophobicContact CE-CE1 4.37Å; M405-F412 HydrophobicContact CE-CE2 4.43Å; M405-F412 HydrophobicContact CE-CZ 3.61Å; M405-F412 HydrophobicContact CG-CE2 4.19Å; M405-F412 HydrophobicContact CG-CZ 4.18Å; L408-F412 HydrophobicContact CB-CE2 4.32Å; L408-F412 VanDerWaalsContact O-CD2 3.23Å; L408-F412 WeakPolarHBondContact O-CD2 3.33Å; L408-F412 PolarHBondContact O-N 3.45Å; L408-F412 VanDerWaalsContact O-N 3.16Å; V409-F412 PolarHBondContact O-N 2.81Å; V409-F412 VanDerWaalsContact O-N 3.14Å; F412-D414 VanDerWaalsContact C-N 3.35Å; F412-M415 PolarHBondContact O-N 2.98Å; F412-E416 WeakPolarHBondContact O-CB 3.22Å; F412-E416 PolarHBondContact O-N 2.56Å; F412-I481 HydrophobicContact CB-CG2 3.73Å; F412-P485 HydrophobicContact CD2-CG 3.91Å; F412-P485 HydrophobicContact CE2-CG 4.06Å
413	L	93.5	Very high	94.5	Very high	29 Å²	29	25.7 Å²	25.7	15%	0.152	15%	0.147	C	C	.	.	H	α-helix	trans	-67.4	-33.6	176.7	-70.9	174.2	0	0	0	113.1	V409 T410 F411 Y417 R478 I481 A482	V409-L413 HydrophobicContact CG1-CD1 3.97Å; V409-L413 HydrophobicContact CG1-CG 4.35Å; V409-L413 WeakPolarHBondContact O-CG 3.45Å; V409-L413 PolarHBondContact O-N 3.12Å; T410-L413 PolarHBondContact O-N 3.08Å; F411-L413 VanDerWaalsContact C-N 3.33Å; F411-L413 PolarHBondContact O-N 3.27Å; L413-Y417 WeakPolarHBondContact O-CB 3.34Å; L413-Y417 PolarHBondContact O-N 2.92Å; L413-R478 HydrophobicContact CD2-CB 4.21Å; L413-R478 WeakPolarHBondContact CD2-O 3.38Å; L413-R478 PolarHBondContact O-NH1 3.49Å; L413-R478 VanDerWaalsContact O-NH1 3.13Å; L413-I481 HydrophobicContact CD2-CB 4.12Å; L413-I481 HydrophobicContact CD2-CG2 4.02Å; L413-A482 HydrophobicContact CD2-CB 4.39Å
414	D	94.6	Very high	93.9	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.011	17%	0.166	C	C	.	.	H	α-helix	trans	-76.3	-33.6	175.4	-73.4	-9.6	0	0	0	111.4	R278 G279 T410 F411 F412 Y417 F418	R278-D414 WeakPolarHBondContact CB-OD2 3.32Å; R278-D414 WeakPolarHBondContact CG-OD2 3.44Å; R278-D414 IonicContact CZ-OD1 2.68Å; R278-D414 IonicContact CZ-OD2 3.1Å; R278-D414 IonicContact NE-OD1 3.88Å; R278-D414 IonicContact NE-OD2 2.97Å; R278-D414 PolarHBondContact NE-OD2 3.15Å; R278-D414 IonicContact NH2-OD1 3.23Å; R278-D414 PolarHBondContact NH2-OD1 3.26Å; R278-D414 IonicContact NH2-OD2 3.5Å; G279-D414 PolarHBondContact N-OD2 2.88Å; G279-D414 VanDerWaalsContact N-OD2 3.13Å; T410-D414 WeakPolarHBondContact O-CB 3.35Å; T410-D414 VanDerWaalsContact O-CG 3.26Å; T410-D414 PolarHBondContact O-N 3.12Å; F411-D414 PolarHBondContact O-N 3.41Å; F412-D414 VanDerWaalsContact C-N 3.35Å; D414-Y417 PolarHBondContact O-N 3.48Å; D414-F418 VanDerWaalsContact O-CB 3.31Å; D414-F418 WeakPolarHBondContact O-CB 3.34Å; D414-F418 PolarHBondContact O-N 3.04Å
415	M	95	Very high	93.2	Very high	29 Å²	29	28.5 Å²	28.5	14%	0.143	17%	0.166	C	C	.	.	H	α-helix	trans	-68.4	-38.5	172.8	-66.9	-54.5	93.2	0	0	111.8	F280 M357 F411 F412 F418 V419	F280-M415 HydrophobicContact CD2-CE 4.23Å; F280-M415 HydrophobicContact CE1-CE 4.48Å; F280-M415 HydrophobicContact CE2-CE 3.94Å; F280-M415 HydrophobicContact CZ-CE 4.08Å; F280-M415 HydrophobicContact CZ-SD 4.32Å; M357-M415 HydrophobicContact CE-SD 3.52Å; M357-M415 VanDerWaalsContact CE-SD 3.52Å; F411-M415 HydrophobicContact CD1-CG 4.37Å; F411-M415 HydrophobicContact CD2-CE 4.01Å; F411-M415 HydrophobicContact CD2-CG 3.9Å; F411-M415 HydrophobicContact CD2-SD 4.2Å; F411-M415 HydrophobicContact CE1-CG 3.96Å; F411-M415 HydrophobicContact CE2-CE 3.84Å; F411-M415 HydrophobicContact CE2-CG 3.45Å; F411-M415 VanDerWaalsContact CE2-CG 3.45Å; F411-M415 HydrophobicContact CE2-SD 3.49Å; F411-M415 WeakPolarHBondContact CE2-SD 3.36Å; F411-M415 HydrophobicContact CG-CG 4.35Å; F411-M415 HydrophobicContact CZ-CG 3.48Å; F411-M415 VanDerWaalsContact CZ-CG 3.48Å; F411-M415 HydrophobicContact CZ-SD 3.91Å; F411-M415 VanDerWaalsContact O-CG 3.27Å; F411-M415 WeakPolarHBondContact O-CG 2.89Å; F411-M415 PolarHBondContact O-N 2.48Å; F412-M415 PolarHBondContact O-N 2.98Å; M415-F418 WeakPolarHBondContact O-CB 3.4Å; M415-F418 PolarHBondContact O-N 3.4Å; M415-V419 WeakPolarHBondContact O-CG2 3.46Å; M415-V419 PolarHBondContact O-N 3.43Å; M415-V419 VanDerWaalsContact O-N 3.08Å
416	E	93	Very high	92.8	Very high	20 Å²	20	29 Å²	29	9%	0.093	17%	0.17	C	C	.	.	H	α-helix	trans	-63.5	-46.7	172.9	-178.3	-85.9	153.4	0	0	111.1	F412 F418 V419 C420 Y475 L477 R478 I481	F412-E416 WeakPolarHBondContact O-CB 3.22Å; F412-E416 PolarHBondContact O-N 2.56Å; E416-F418 VanDerWaalsContact C-N 3.33Å; E416-F418 PolarHBondContact O-N 2.94Å; E416-V419 PolarHBondContact O-N 3.24Å; E416-C420 PolarHBondContact O-N 3.44Å; E416-Y475 VanDerWaalsContact CD-OH 3.24Å; E416-Y475 WeakPolarHBondContact OE1-CE2 3.36Å; E416-Y475 VanDerWaalsContact OE1-CZ 3.3Å; E416-Y475 PolarHBondContact OE1-OH 3Å; E416-Y475 PolarHBondContact OE2-OH 3.36Å; E416-L477 HydrophobicContact CG-CD2 4Å; E416-L477 HydrophobicContact CG-CG 4.45Å; E416-R478 IonicContact OE2-NH1 3.3Å; E416-R478 PolarHBondContact OE2-NH1 3.27Å; E416-I481 HydrophobicContact CB-CG1 4.25Å; E416-I481 HydrophobicContact CG-CG1 3.98Å
417	Y	91.9	Very high	92.4	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.008	18%	0.182	C	C	.	.	H	α-helix	trans	-56.8	-45.4	172.4	176.3	-94	0	0	0	111.8	R275 L276 L413 D414 V419 C420 F421 C470	R275-Y417 HydrophobicContact CB-CD1 3.68Å; R275-Y417 HydrophobicContact CB-CE1 3.6Å; R275-Y417 HydrophobicContact CB-CG 4.39Å; R275-Y417 HydrophobicContact CG-CE1 4.49Å; L276-Y417 HydrophobicContact CD2-CD1 4.28Å; L276-Y417 HydrophobicContact CD2-CE1 4.08Å; L276-Y417 HydrophobicContact CG-CE1 4.31Å; L413-Y417 WeakPolarHBondContact O-CB 3.34Å; L413-Y417 PolarHBondContact O-N 2.92Å; D414-Y417 PolarHBondContact O-N 3.48Å; Y417-V419 VanDerWaalsContact C-N 3.33Å; Y417-V419 PolarHBondContact O-N 3.31Å; Y417-C420 PolarHBondContact O-N 2.79Å; Y417-F421 HydrophobicContact CE1-CB 4.21Å; Y417-F421 HydrophobicContact CE1-CD2 4.46Å; Y417-F421 HydrophobicContact CE1-CG 4.41Å; Y417-F421 WeakPolarHBondContact O-CB 3.12Å; Y417-F421 PolarHBondContact O-N 2.85Å; Y417-C470 HydrophobicContact CD2-CB 3.55Å; Y417-C470 HydrophobicContact CE2-CB 3.72Å
418	F	94.4	Very high	92.1	Very high	11 Å²	11	36 Å²	36	5%	0.048	21%	0.209	C	C	.	.	H	α-helix	trans	-55.6	-48.2	178.2	-175	-76.6	0	0	0	111.3	L276 F280 P353 L354 M357 D414 M415 E416 F421 Y422	L276-F418 HydrophobicContact CD2-CB 4.39Å; L276-F418 HydrophobicContact CD2-CD2 3.73Å; L276-F418 HydrophobicContact CD2-CE2 4.4Å; L276-F418 HydrophobicContact CD2-CG 4.28Å; F280-F418 HydrophobicContact CE2-CD2 4.21Å; F280-F418 HydrophobicContact CE2-CE2 4.1Å; F280-F418 HydrophobicContact CZ-CE2 4.29Å; P353-F418 HydrophobicContact CB-CE2 3.67Å; P353-F418 HydrophobicContact CB-CZ 4.36Å; L354-F418 HydrophobicContact CD2-CE1 3.94Å; L354-F418 HydrophobicContact CD2-CZ 3.85Å; L354-F418 HydrophobicContact CG-CZ 4.49Å; M357-F418 HydrophobicContact CB-CE1 4.28Å; M357-F418 HydrophobicContact CB-CZ 3.83Å; M357-F418 HydrophobicContact CE-CD1 4Å; M357-F418 HydrophobicContact CE-CE1 4Å; M357-F418 HydrophobicContact CE-CG 4.29Å; M357-F418 HydrophobicContact CE-CZ 4.26Å; M357-F418 HydrophobicContact CG-CE1 4.26Å; M357-F418 HydrophobicContact CG-CZ 4.31Å; D414-F418 VanDerWaalsContact O-CB 3.31Å; D414-F418 WeakPolarHBondContact O-CB 3.34Å; D414-F418 PolarHBondContact O-N 3.04Å; M415-F418 WeakPolarHBondContact O-CB 3.4Å; M415-F418 PolarHBondContact O-N 3.4Å; E416-F418 VanDerWaalsContact C-N 3.33Å; E416-F418 PolarHBondContact O-N 2.94Å; F418-F421 PolarHBondContact O-N 3.44Å; F418-Y422 AromaticContact CD1-CD2 3.83Å; F418-Y422 HydrophobicContact CD1-CD2 3.83Å; F418-Y422 HydrophobicContact CD1-CE2 4.09Å; F418-Y422 HydrophobicContact CD2-CE2 4.07Å; F418-Y422 AromaticContact CE1-CD2 3.63Å; F418-Y422 HydrophobicContact CE1-CD2 3.63Å; F418-Y422 AromaticContact CE1-CE2 3.7Å; F418-Y422 HydrophobicContact CE1-CE2 3.7Å; F418-Y422 HydrophobicContact CE2-CD2 4.4Å; F418-Y422 AromaticContact CE2-CE2 3.7Å; F418-Y422 HydrophobicContact CE2-CE2 3.7Å; F418-Y422 HydrophobicContact CG-CD2 4.28Å; F418-Y422 HydrophobicContact CG-CE2 4.26Å; F418-Y422 AromaticContact CZ-CD2 3.95Å; F418-Y422 HydrophobicContact CZ-CD2 3.95Å; F418-Y422 AromaticContact CZ-CE2 3.49Å; F418-Y422 HydrophobicContact CZ-CE2 3.49Å; F418-Y422 VanDerWaalsContact CZ-CE2 3.49Å; F418-Y422 VanDerWaalsContact O-CD2 3.29Å; F418-Y422 WeakPolarHBondContact O-CD2 3.33Å; F418-Y422 PolarHBondContact O-N 3.47Å
419	V	93.6	Very high	91.5	Very high	101 Å²	101	38.2 Å²	38.2	61%	0.612	22%	0.223	S	C	*	.	H	α-helix	trans	-64.9	-47.8	179.5	173.6	0	0	0	0	111.1	M415 E416 Y417 F421 A423	M415-V419 WeakPolarHBondContact O-CG2 3.46Å; M415-V419 PolarHBondContact O-N 3.43Å; M415-V419 VanDerWaalsContact O-N 3.08Å; E416-V419 PolarHBondContact O-N 3.24Å; Y417-V419 VanDerWaalsContact C-N 3.33Å; Y417-V419 PolarHBondContact O-N 3.31Å; V419-F421 VanDerWaalsContact C-N 3.33Å; V419-F421 PolarHBondContact O-N 3.46Å; V419-A423 VanDerWaalsContact O-CB 3.23Å; V419-A423 WeakPolarHBondContact O-CB 3.33Å; V419-A423 PolarHBondContact O-N 3.38Å; V419-A423 VanDerWaalsContact O-N 3.1Å
420	C	90.8	Very high	91.1	Very high	19 Å²	19	44.2 Å²	44.2	13%	0.128	25%	0.254	C	S	.	.	H	α-helix	trans	-60.3	-43.7	178.1	177.1	0	0	0	0	111.7	E416 Y417 A423 S424 C470	E416-C420 PolarHBondContact O-N 3.44Å; Y417-C420 PolarHBondContact O-N 2.79Å; C420-A423 PolarHBondContact O-N 3.01Å; C420-A423 VanDerWaalsContact O-N 3.15Å; C420-S424 WeakPolarHBondContact O-CB 3.26Å; C420-S424 PolarHBondContact O-N 2.98Å; C420-C470 HydrophobicContact CB-CB 3.62Å; C420-C470 WeakPolarHBondContact CB-SG 3.23Å; C420-C470 WeakPolarHBondContact SG-CA 3.36Å; C420-C470 WeakPolarHBondContact SG-CB 3.49Å; C420-C470 CovalentContact SG-SG 2.04Å; C420-C470 PolarHBondContact SG-SG 2.74Å
421	F	90.4	Very high	90.6	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-59.4	-52.6	-178.4	176.4	-98.6	0	0	0	111.7	V272 L276 L350 Y417 F418 V419 A423 S424 E425 V426 M435 I460 C470	V272-F421 HydrophobicContact CG1-CD2 4.2Å; V272-F421 HydrophobicContact CG1-CE1 4.33Å; V272-F421 HydrophobicContact CG1-CE2 3.49Å; V272-F421 VanDerWaalsContact CG1-CE2 3.49Å; V272-F421 HydrophobicContact CG1-CZ 3.57Å; L276-F421 HydrophobicContact CD1-CD1 4.16Å; L276-F421 HydrophobicContact CD1-CE1 3.87Å; L276-F421 HydrophobicContact CD1-CZ 4.42Å; L276-F421 HydrophobicContact CD2-CD1 3.9Å; L276-F421 HydrophobicContact CD2-CE1 4.46Å; L276-F421 HydrophobicContact CD2-CG 4.33Å; L350-F421 HydrophobicContact CD2-CE1 4.02Å; L350-F421 HydrophobicContact CD2-CZ 4.12Å; Y417-F421 HydrophobicContact CE1-CB 4.21Å; Y417-F421 HydrophobicContact CE1-CD2 4.46Å; Y417-F421 HydrophobicContact CE1-CG 4.41Å; Y417-F421 WeakPolarHBondContact O-CB 3.12Å; Y417-F421 PolarHBondContact O-N 2.85Å; F418-F421 PolarHBondContact O-N 3.44Å; V419-F421 VanDerWaalsContact C-N 3.33Å; V419-F421 PolarHBondContact O-N 3.46Å; F421-A423 PolarHBondContact O-N 3.26Å; F421-S424 PolarHBondContact O-N 3.34Å; F421-E425 HydrophobicContact CD2-CB 3.84Å; F421-E425 WeakPolarHBondContact CD2-OE2 3.46Å; F421-E425 HydrophobicContact CE2-CB 4.1Å; F421-E425 WeakPolarHBondContact O-CA 3.38Å; F421-E425 PolarHBondContact O-N 3.24Å; F421-V426 HydrophobicContact CD1-CG2 3.71Å; F421-V426 HydrophobicContact CE1-CG2 3.3Å; F421-V426 HydrophobicContact CE2-CG2 4.4Å; F421-V426 HydrophobicContact CG-CG2 4.41Å; F421-V426 HydrophobicContact CZ-CG2 3.7Å; F421-V426 PolarHBondContact O-N 3.19Å; F421-M435 HydrophobicContact CE2-CG 4.36Å; F421-M435 HydrophobicContact CE2-SD 4.35Å; F421-M435 HydrophobicContact CZ-CG 3.9Å; F421-M435 HydrophobicContact CZ-SD 4.1Å; F421-I460 HydrophobicContact CE2-CD1 4.11Å; F421-C470 PolarHBondContact N-SG 3.42Å; F421-C470 VanDerWaalsContact N-SG 3.41Å
422	Y	92.8	Very high	90.2	Very high	40 Å²	40	47.7 Å²	47.7	16%	0.157	29%	0.29	C	S	.	.	H	α-helix	trans	-69.2	-22.2	177.8	-76.8	-76.4	0	0	0	113.7	L276 L350 P353 L354 F418 V426	L276-Y422 HydrophobicContact CD2-CE2 4.18Å; L350-Y422 HydrophobicContact CB-CE1 4.14Å; L350-Y422 PolarHBondContact O-OH 2.98Å; P353-Y422 WeakPolarHBondContact CB-OH 3.38Å; L354-Y422 HydrophobicContact CD1-CD1 4.01Å; L354-Y422 HydrophobicContact CD1-CE1 3.58Å; L354-Y422 HydrophobicContact CD2-CD1 4.09Å; L354-Y422 HydrophobicContact CD2-CD2 4.01Å; L354-Y422 HydrophobicContact CD2-CE1 3.97Å; L354-Y422 HydrophobicContact CD2-CE2 3.92Å; L354-Y422 HydrophobicContact CD2-CG 4.13Å; L354-Y422 HydrophobicContact CG-CD1 4.21Å; L354-Y422 HydrophobicContact CG-CE1 3.64Å; L354-Y422 HydrophobicContact CG-CE2 4.13Å; F418-Y422 AromaticContact CD1-CD2 3.83Å; F418-Y422 HydrophobicContact CD1-CD2 3.83Å; F418-Y422 HydrophobicContact CD1-CE2 4.09Å; F418-Y422 HydrophobicContact CD2-CE2 4.07Å; F418-Y422 AromaticContact CE1-CD2 3.63Å; F418-Y422 HydrophobicContact CE1-CD2 3.63Å; F418-Y422 AromaticContact CE1-CE2 3.7Å; F418-Y422 HydrophobicContact CE1-CE2 3.7Å; F418-Y422 HydrophobicContact CE2-CD2 4.4Å; F418-Y422 AromaticContact CE2-CE2 3.7Å; F418-Y422 HydrophobicContact CE2-CE2 3.7Å; F418-Y422 HydrophobicContact CG-CD2 4.28Å; F418-Y422 HydrophobicContact CG-CE2 4.26Å; F418-Y422 AromaticContact CZ-CD2 3.95Å; F418-Y422 HydrophobicContact CZ-CD2 3.95Å; F418-Y422 AromaticContact CZ-CE2 3.49Å; F418-Y422 HydrophobicContact CZ-CE2 3.49Å; F418-Y422 VanDerWaalsContact CZ-CE2 3.49Å; F418-Y422 VanDerWaalsContact O-CD2 3.29Å; F418-Y422 WeakPolarHBondContact O-CD2 3.33Å; F418-Y422 PolarHBondContact O-N 3.47Å; Y422-V426 HydrophobicContact CD1-CB 4.33Å; Y422-V426 HydrophobicContact CD1-CG1 4.3Å; Y422-V426 HydrophobicContact CD1-CG2 4Å; Y422-V426 HydrophobicContact CE1-CG2 4.38Å
423	A	89.9	Confident	89.9	Confident	77 Å²	77	48.1 Å²	48.1	64%	0.636	29%	0.294	S	S	*	.	H	α-helix	trans	-84.7	-29.5	178.8	0	0	0	0	0	113.5	V419 C420 F421	V419-A423 VanDerWaalsContact O-CB 3.23Å; V419-A423 WeakPolarHBondContact O-CB 3.33Å; V419-A423 PolarHBondContact O-N 3.38Å; V419-A423 VanDerWaalsContact O-N 3.1Å; C420-A423 PolarHBondContact O-N 3.01Å; C420-A423 VanDerWaalsContact O-N 3.15Å; F421-A423 PolarHBondContact O-N 3.26Å
424	S	84.3	Confident	89.6	Confident	60 Å²	60	49.4 Å²	49.4	42%	0.42	30%	0.301	S	S	.	.	H	α-helix	trans	-128.1	-23.2	-167.4	-56.8	0	0	0	0	114.8	C420 F421	C420-S424 WeakPolarHBondContact O-CB 3.26Å; C420-S424 PolarHBondContact O-N 2.98Å; F421-S424 PolarHBondContact O-N 3.34Å
425	E	83.9	Confident	89.1	Confident	11 Å²	11	49.6 Å²	49.6	5%	0.051	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.3	0	-173.9	-60.7	-172.1	178.9	0	0	113.3	F421 M435 V436 I460 D468 I469	F421-E425 HydrophobicContact CD2-CB 3.84Å; F421-E425 WeakPolarHBondContact CD2-OE2 3.46Å; F421-E425 HydrophobicContact CE2-CB 4.1Å; F421-E425 WeakPolarHBondContact O-CA 3.38Å; F421-E425 PolarHBondContact O-N 3.24Å; E425-M435 WeakPolarHBondContact O-CA 3.49Å; E425-V436 PolarHBondContact O-N 2.97Å; E425-I460 HydrophobicContact CB-CD1 4.19Å; E425-D468 WeakPolarHBondContact OE1-CB 3.42Å; E425-I469 PolarHBondContact OE1-N 2.87Å
426	V	88.1	Confident	88.3	Confident	21 Å²	21	49.8 Å²	49.8	13%	0.127	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	134.6	178.7	179.7	0	0	0	0	110.2	L350 F421 Y422 L433 D434	L350-V426 HydrophobicContact CD1-CB 4.5Å; L350-V426 HydrophobicContact CD1-CG1 3.85Å; L350-V426 HydrophobicContact CD1-CG2 3.85Å; F421-V426 HydrophobicContact CD1-CG2 3.71Å; F421-V426 HydrophobicContact CE1-CG2 3.3Å; F421-V426 HydrophobicContact CE2-CG2 4.4Å; F421-V426 HydrophobicContact CG-CG2 4.41Å; F421-V426 HydrophobicContact CZ-CG2 3.7Å; F421-V426 PolarHBondContact O-N 3.19Å; Y422-V426 HydrophobicContact CD1-CB 4.33Å; Y422-V426 HydrophobicContact CD1-CG1 4.3Å; Y422-V426 HydrophobicContact CD1-CG2 4Å; Y422-V426 HydrophobicContact CE1-CG2 4.38Å; V426-L433 HydrophobicContact CG1-CB 4.07Å; V426-L433 HydrophobicContact CG1-CD2 4.04Å; V426-D434 WeakPolarHBondContact CA-O 3.42Å
427	T	88.9	Confident	87.2	Confident	67 Å²	67	51.6 Å²	51.6	41%	0.411	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	163.9	174.7	-166.8	0	0	0	0	111.3	V429 D434 V436	T427-V429 HydrophobicContact CG2-CG2 3.82Å; T427-D434 PolarHBondContact N-O 2.88Å; T427-D434 PolarHBondContact O-N 3.11Å; T427-V436 HydrophobicContact CG2-CG2 3.66Å
428	L	89.8	Confident	85.8	Confident	115 Å²	115	52.3 Å²	52.3	60%	0.602	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.7	111	176.4	-169.7	74.5	0	0	0	109.6	G431 L433	L428-G431 VanDerWaalsContact CD1-C 3.46Å; L428-L433 HydrophobicContact CD1-CD2 4.27Å
429	V	85.4	Confident	83.8	Confident	61 Å²	61	54.2 Å²	54.2	37%	0.37	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	120.4	174.8	-174.1	0	0	0	0	108.6	T427 G431 T432 D434	T427-V429 HydrophobicContact CG2-CG2 3.82Å; V429-G431 PolarHBondContact O-N 3.01Å; V429-G431 VanDerWaalsContact O-N 3.09Å; V429-T432 PolarHBondContact N-O 3.33Å; V429-T432 PolarHBondContact O-N 3.01Å; V429-T432 VanDerWaalsContact O-O 3.09Å; V429-T432 PolarHBondContact O-OG1 3.35Å; V429-D434 HydrophobicContact CB-CB 4.44Å; V429-D434 HydrophobicContact CG2-CB 4.1Å
430	N	86.2	Confident	81.7	Confident	164 Å²	164	53.1 Å²	53.1	88%	0.877	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	36	179.8	-61.4	-21.1	0	0	0	114	T432	N430-T432 VanDerWaalsContact C-N 3.28Å; N430-T432 PolarHBondContact O-N 3.19Å
431	G	84.6	Confident	79.5	Confident	61 Å²	61	53.1 Å²	53.1	63%	0.629	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.9	1.9	-178.3	0	0	0	0	0	115.2	L428 V429	L428-G431 VanDerWaalsContact CD1-C 3.46Å; V429-G431 PolarHBondContact O-N 3.01Å; V429-G431 VanDerWaalsContact O-N 3.09Å
432	T	87.6	Confident	77.1	Confident	71 Å²	71	59.1 Å²	59.1	44%	0.436	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	142.4	175.9	60.2	0	0	0	0	111.2	V429 N430 D434	V429-T432 PolarHBondContact N-O 3.33Å; V429-T432 PolarHBondContact O-N 3.01Å; V429-T432 VanDerWaalsContact O-O 3.09Å; V429-T432 PolarHBondContact O-OG1 3.35Å; N430-T432 VanDerWaalsContact C-N 3.28Å; N430-T432 PolarHBondContact O-N 3.19Å; T432-D434 PolarHBondContact O-N 3.16Å
433	L	90.5	Very high	74.7	Confident	49 Å²	49	62.8 Å²	62.8	26%	0.257	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	125.6	174.3	-62.9	173.4	0	0	0	109.1	S348 L350 V351 L354 V426 L428	S348-L433 WeakPolarHBondContact CB-O 3.35Å; S348-L433 PolarHBondContact OG-O 3.16Å; L350-L433 HydrophobicContact CB-CB 4.1Å; L350-L433 HydrophobicContact CD1-CB 4.3Å; V351-L433 HydrophobicContact CG2-CD1 4.16Å; L354-L433 HydrophobicContact CD1-CD1 3.71Å; V426-L433 HydrophobicContact CG1-CB 4.07Å; V426-L433 HydrophobicContact CG1-CD2 4.04Å; L428-L433 HydrophobicContact CD1-CD2 4.27Å
434	D	87.1	Confident	72.3	Confident	57 Å²	57	63.7 Å²	63.7	31%	0.305	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	158.9	175.6	-160.1	8	0	0	0	110.9	V426 T427 V429 T432	V426-D434 WeakPolarHBondContact CA-O 3.42Å; T427-D434 PolarHBondContact N-O 2.88Å; T427-D434 PolarHBondContact O-N 3.11Å; V429-D434 HydrophobicContact CB-CB 4.44Å; V429-D434 HydrophobicContact CG2-CB 4.1Å; T432-D434 PolarHBondContact O-N 3.16Å
435	M	83.7	Confident	70.1	Confident	5 Å²	5	64.3 Å²	64.3	3%	0.025	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	141	178.6	-74.6	-178.2	-72.4	0	0	111.1	E268 P269 V272 L350 F421 E425 Y437 I460	E268-M435 WeakPolarHBondContact OE2-CE 3.47Å; P269-M435 HydrophobicContact CG-CE 4.17Å; P269-M435 HydrophobicContact CG-SD 3.9Å; V272-M435 HydrophobicContact CG1-SD 4.43Å; L350-M435 HydrophobicContact CD1-CG 4.11Å; F421-M435 HydrophobicContact CE2-CG 4.36Å; F421-M435 HydrophobicContact CE2-SD 4.35Å; F421-M435 HydrophobicContact CZ-CG 3.9Å; F421-M435 HydrophobicContact CZ-SD 4.1Å; E425-M435 WeakPolarHBondContact O-CA 3.49Å; M435-Y437 HydrophobicContact CB-CE2 4.05Å; M435-Y437 VanDerWaalsContact CE-OH 3.25Å; M435-Y437 WeakPolarHBondContact CE-OH 3.38Å; M435-Y437 WeakPolarHBondContact O-CD2 3.46Å; M435-Y437 WeakPolarHBondContact O-CE2 3.17Å; M435-Y437 PolarHBondContact O-N 3.42Å; M435-I460 HydrophobicContact CB-CD1 3.82Å; M435-I460 HydrophobicContact CG-CD1 3.88Å; M435-I460 HydrophobicContact SD-CD1 3.76Å
436	V	78.7	Confident	68.3	Low	33 Å²	33	69.9 Å²	69.9	20%	0.2	44%	0.437	C	S	.	.	P	Polyproline II helix	trans	-79.6	118.2	171.2	-170.5	0	0	0	0	109.3	E425 T427 W458 A459 I460	E425-V436 PolarHBondContact O-N 2.97Å; T427-V436 HydrophobicContact CG2-CG2 3.66Å; V436-W458 HydrophobicContact CB-CZ3 4.05Å; V436-W458 HydrophobicContact CG1-CE3 4.28Å; V436-W458 HydrophobicContact CG1-CH2 4.38Å; V436-W458 HydrophobicContact CG1-CZ3 3.65Å; V436-W458 HydrophobicContact CG2-CZ3 4.13Å; V436-A459 HydrophobicContact CG1-CB 4.13Å; V436-A459 WeakPolarHBondContact O-CB 3.4Å; V436-I460 PolarHBondContact O-N 3Å; V436-I460 VanDerWaalsContact O-N 3.1Å
437	Y	69.9	Low	65.8	Low	59 Å²	59	76.4 Å²	76.4	23%	0.231	47%	0.471	C	S	.	.	B	Isolated β-bridge	trans	-102.1	144.5	176.8	-60.5	-83.3	0	0	0	111.1	M435 I460 R462	M435-Y437 HydrophobicContact CB-CE2 4.05Å; M435-Y437 VanDerWaalsContact CE-OH 3.25Å; M435-Y437 WeakPolarHBondContact CE-OH 3.38Å; M435-Y437 WeakPolarHBondContact O-CD2 3.46Å; M435-Y437 WeakPolarHBondContact O-CE2 3.17Å; M435-Y437 PolarHBondContact O-N 3.42Å; Y437-I460 HydrophobicContact CD1-CB 4.4Å; Y437-I460 HydrophobicContact CD1-CG2 4.43Å; Y437-I460 HydrophobicContact CE1-CG2 4.45Å; Y437-R462 HydrophobicContact CE1-CG 4.44Å
438	S	61.3	Low	63.2	Low	17 Å²	17	76.9 Å²	76.9	12%	0.119	48%	0.477	C	S	.	.	P	Polyproline II helix	trans	-74.3	143.1	-178.2	176.6	0	0	0	0	109	A440 A441	S438-A440 PolarHBondContact O-N 3.33Å; S438-A440 VanDerWaalsContact O-N 3.14Å; S438-A440 PolarHBondContact OG-N 2.85Å; S438-A441 VanDerWaalsContact O-CB 3.27Å; S438-A441 WeakPolarHBondContact O-CB 3.21Å; S438-A441 PolarHBondContact O-N 2.95Å
439	A	52.9	Low	60.5	Low	50 Å²	50	77.5 Å²	77.5	41%	0.413	49%	0.492	S	S	.	.	G	3₁₀ helix	trans	-53.9	-31.4	172.1	0	0	0	0	0	111.9	A441 Q442 E456	A439-A441 PolarHBondContact O-N 3.49Å; A439-A441 VanDerWaalsContact O-N 3.12Å; A439-Q442 PolarHBondContact O-N 3.27Å; A439-Q442 VanDerWaalsContact O-N 3.08Å; A439-E456 VanDerWaalsContact CB-OE2 3.22Å; A439-E456 WeakPolarHBondContact CB-OE2 3.33Å
440	A	49.1	Very low	58.2	Low	78 Å²	78	78.9 Å²	78.9	65%	0.645	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-64	-13.2	174.4	0	0	0	0	0	114.3	S438	S438-A440 PolarHBondContact O-N 3.33Å; S438-A440 VanDerWaalsContact O-N 3.14Å; S438-A440 PolarHBondContact OG-N 2.85Å
441	A	45	Very low	55.8	Low	20 Å²	20	79 Å²	79	17%	0.165	50%	0.503	C	S	.	.	G	3₁₀ helix	trans	-91	-2.9	175.8	0	0	0	0	0	113.7	S438 A439 R462	S438-A441 VanDerWaalsContact O-CB 3.27Å; S438-A441 WeakPolarHBondContact O-CB 3.21Å; S438-A441 PolarHBondContact O-N 2.95Å; A439-A441 PolarHBondContact O-N 3.49Å; A439-A441 VanDerWaalsContact O-N 3.12Å; A441-R462 HydrophobicContact CB-CB 4.07Å
442	Q	40.3	Very low	53.6	Low	125 Å²	125	83.4 Å²	83.4	58%	0.584	51%	0.511	S	S	*	.	S	Bend	trans	-80	126.2	169.1	-66.2	-171.5	-2.8	0	0	109	A439 T444	A439-Q442 PolarHBondContact O-N 3.27Å; A439-Q442 VanDerWaalsContact O-N 3.08Å; Q442-T444 HydrophobicContact CB-CG2 4.42Å; Q442-T444 PolarHBondContact O-N 3.3Å
443	P	40.9	Very low	51	Low	117 Å²	117	85.7 Å²	85.7	76%	0.76	52%	0.521	S	S	*	.			trans	-67.8	88.6	164.2	27.8	-28.9	0	0	0	107.1	A445	P443-A445 PolarHBondContact O-N 3.06Å
444	T	40.8	Very low	48.6	Very low	96 Å²	96	92 Å²	92	59%	0.589	55%	0.549	S	S	*	.			trans	-65.7	135.4	175.6	45.3	0	0	0	0	108.9	Q442	Q442-T444 HydrophobicContact CB-CG2 4.42Å; Q442-T444 PolarHBondContact O-N 3.3Å
445	A	36.8	Very low	46.3	Very low	74 Å²	74	92.6 Å²	92.6	61%	0.612	56%	0.557	S	S	*	*			trans	-48.6	146.7	168	0	0	0	0	0	109.9	P443 N447	P443-A445 PolarHBondContact O-N 3.06Å; A445-N447 PolarHBondContact O-N 3.5Å
446	P	46.3	Very low	44.1	Very low	127 Å²	127	98.7 Å²	98.7	83%	0.825	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.8	0.7	-158.4	-22.5	32.5	0	0	0	118.3
447	N	36.8	Very low	42.5	Very low	158 Å²	158	102.3 Å²	102.3	85%	0.845	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.6	43.5	-164.2	-71.8	-8.5	0	0	0	115.6	A445	A445-N447 PolarHBondContact O-N 3.5Å
448	S	33.8	Very low	41.4	Very low	77 Å²	77	106 Å²	106	54%	0.538	62%	0.622	S	S	.	*			trans	-127	90.2	164.1	27.3	0	0	0	0	111	S450	S448-S450 PolarHBondContact O-N 3.25Å
449	S	33.8	Very low	40.8	Very low	129 Å²	129	106 Å²	106	90%	0.902	62%	0.623	S	S	*	*			trans	-69.5	67.5	158.1	54.6	0	0	0	0	109.4
450	S	36.8	Very low	40.8	Very low	90 Å²	90	103.8 Å²	103.8	63%	0.629	60%	0.604	S	S	*	*			trans	-85.6	117.6	162.8	53.5	0	0	0	0	107.3	S448 L452	S448-S450 PolarHBondContact O-N 3.25Å; S450-L452 PolarHBondContact O-N 2.85Å
451	I	34.7	Very low	40.9	Very low	165 Å²	165	103.8 Å²	103.8	85%	0.846	59%	0.59	S	S	*	*			trans	-34.9	111.9	163.9	-64.5	164	0	0	0	108	D453	I451-D453 PolarHBondContact O-N 3.1Å
452	L	38.1	Very low	41.1	Very low	154 Å²	154	109.1 Å²	109.1	81%	0.806	61%	0.606	S	S	*	*			trans	-58.8	107.4	171.7	-71.8	162.3	0	0	0	106.1	S450 E454	S450-L452 PolarHBondContact O-N 2.85Å; L452-E454 PolarHBondContact O-N 3.28Å
453	D	33.6	Very low	41.1	Very low	119 Å²	119	113.8 Å²	113.8	64%	0.636	62%	0.619	S	S	*	*			trans	-64.6	108.2	161	-167	13.1	0	0	0	105.5	I451 S455 E456	I451-D453 PolarHBondContact O-N 3.1Å; D453-S455 PolarHBondContact O-N 3.18Å; D453-S455 PolarHBondContact OD2-OG 2.86Å; D453-E456 PolarHBondContact O-N 3.01Å
454	E	40.4	Very low	41.3	Very low	182 Å²	182	111.4 Å²	111.4	85%	0.85	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.4	0.2	175.7	-105.7	178.2	168.4	0	0	112.4	L452 T457	L452-E454 PolarHBondContact O-N 3.28Å; E454-T457 WeakPolarHBondContact O-CG2 3.4Å
455	S	39.4	Very low	41.7	Very low	69 Å²	69	114.5 Å²	114.5	48%	0.483	62%	0.623	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.7	-20.5	-179.5	83.5	0	0	0	0	114.8	D453 T457	D453-S455 PolarHBondContact O-N 3.18Å; D453-S455 PolarHBondContact OD2-OG 2.86Å; S455-T457 PolarHBondContact O-N 3.43Å
456	E	37.9	Very low	42.3	Very low	133 Å²	133	112.8 Å²	112.8	62%	0.621	60%	0.602	S	S	*	*			trans	-79.2	67.3	173.5	-72.1	-158.4	177.2	0	0	111.4	A439 D453 W458	A439-E456 VanDerWaalsContact CB-OE2 3.22Å; A439-E456 WeakPolarHBondContact CB-OE2 3.33Å; D453-E456 PolarHBondContact O-N 3.01Å; E456-W458 VanDerWaalsContact C-N 3.34Å; E456-W458 PolarHBondContact O-N 3.01Å
457	T	44	Very low	42.7	Very low	109 Å²	109	112.9 Å²	112.9	67%	0.669	60%	0.595	S	S	*	*			trans	-82.6	4.5	-166.8	46.5	0	0	0	0	115.8	E454 S455	E454-T457 WeakPolarHBondContact O-CG2 3.4Å; S455-T457 PolarHBondContact O-N 3.43Å
458	W	47.5	Very low	44.1	Very low	138 Å²	138	105.5 Å²	105.5	52%	0.523	56%	0.556	S	S	.	*			trans	-151.4	117.7	-173.8	51.9	-88.8	0	0	0	112.8	V436 E456 I469	V436-W458 HydrophobicContact CB-CZ3 4.05Å; V436-W458 HydrophobicContact CG1-CE3 4.28Å; V436-W458 HydrophobicContact CG1-CH2 4.38Å; V436-W458 HydrophobicContact CG1-CZ3 3.65Å; V436-W458 HydrophobicContact CG2-CZ3 4.13Å; E456-W458 VanDerWaalsContact C-N 3.34Å; E456-W458 PolarHBondContact O-N 3.01Å; W458-I469 HydrophobicContact CB-CD1 3.35Å; W458-I469 HydrophobicContact CG-CD1 4.46Å
459	A	48.6	Very low	45.9	Very low	17 Å²	17	105.5 Å²	105.5	14%	0.14	55%	0.549	C	S	.	.			trans	-177.4	167.5	151.2	0	0	0	0	0	115.1	V436 H461	V436-A459 HydrophobicContact CG1-CB 4.13Å; V436-A459 WeakPolarHBondContact O-CB 3.4Å; A459-H461 PolarHBondContact O-N 3.48Å; A459-H461 PolarHBondContact O-ND1 3.3Å
460	I	52.1	Low	48.2	Very low	2 Å²	2	99.3 Å²	99.3	1%	0.01	51%	0.506	C	S	.	.	B	Isolated β-bridge	trans	-67	125.4	-175.8	-64.6	163.6	0	0	0	110.1	P269 F421 E425 M435 V436 Y437	P269-I460 HydrophobicContact CB-CG2 3.77Å; P269-I460 HydrophobicContact CG-CG2 3.82Å; F421-I460 HydrophobicContact CE2-CD1 4.11Å; E425-I460 HydrophobicContact CB-CD1 4.19Å; M435-I460 HydrophobicContact CB-CD1 3.82Å; M435-I460 HydrophobicContact CG-CD1 3.88Å; M435-I460 HydrophobicContact SD-CD1 3.76Å; V436-I460 PolarHBondContact O-N 3Å; V436-I460 VanDerWaalsContact O-N 3.1Å; Y437-I460 HydrophobicContact CD1-CB 4.4Å; Y437-I460 HydrophobicContact CD1-CG2 4.43Å; Y437-I460 HydrophobicContact CE1-CG2 4.45Å
461	H	52.3	Low	50.1	Low	79 Å²	79	96.6 Å²	96.6	37%	0.366	49%	0.486	S	S	.	.			trans	-81.8	125	176.5	-70.7	64.9	0	0	0	110.1	A459 R463	A459-H461 PolarHBondContact O-N 3.48Å; A459-H461 PolarHBondContact O-ND1 3.3Å; H461-R463 VanDerWaalsContact C-N 3.29Å; H461-R463 PolarHBondContact O-N 3.01Å
462	R	47.6	Very low	51.8	Low	131 Å²	131	90 Å²	90	49%	0.494	46%	0.456	S	S	.	.	S	Bend	trans	-71.8	-18.8	-177.4	-142	-174.6	-67.7	-165.4	-0.8	113.4	Y437 A441	Y437-R462 HydrophobicContact CE1-CG 4.44Å; A441-R462 HydrophobicContact CB-CB 4.07Å
463	R	41.1	Very low	53.2	Low	224 Å²	224	84.9 Å²	84.9	85%	0.845	43%	0.429	S	S	*	.	S	Bend	trans	-148.4	136.1	176	-89.4	-174	-99.2	-177.7	-6.1	110.3	H461	H461-R463 VanDerWaalsContact C-N 3.29Å; H461-R463 PolarHBondContact O-N 3.01Å
464	G	46	Very low	54.4	Low	67 Å²	67	85.2 Å²	85.2	69%	0.691	44%	0.435	S	S	*	.	S	Bend	trans	112.3	177.9	175.2	0	0	0	0	0	114.5	Q466	G464-Q466 PolarHBondContact O-N 2.94Å
465	Q	47.4	Very low	55.5	Low	161 Å²	161	80.7 Å²	80.7	75%	0.752	41%	0.411	S	S	*	.	S	Bend	trans	-59	104.6	179	-77.2	-178.5	-23.6	0	0	109.6	L467	Q465-L467 PolarHBondContact O-N 3.41Å; Q465-L467 VanDerWaalsContact O-N 3.15Å
466	Q	49.5	Very low	57.2	Low	38 Å²	38	79.2 Å²	79.2	18%	0.178	41%	0.406	C	S	.	.			trans	-64	109.8	-174.3	-171.7	176.7	-16.6	0	0	110.7	V272 G464 D468	V272-Q466 VanDerWaalsContact CG2-NE2 3.33Å; G464-Q466 PolarHBondContact O-N 2.94Å; Q466-D468 HydrophobicContact CG-CB 4.36Å; Q466-D468 PolarHBondContact NE2-OD2 2.84Å
467	L	54.8	Low	59.5	Low	128 Å²	128	76.3 Å²	76.3	67%	0.67	39%	0.394	S	S	*	.			trans	-99.2	76.5	164.3	-80.2	141.4	0	0	0	107.6	Q465	Q465-L467 PolarHBondContact O-N 3.41Å; Q465-L467 VanDerWaalsContact O-N 3.15Å
468	D	67.4	Low	61.5	Low	3 Å²	3	72.9 Å²	72.9	2%	0.016	37%	0.369	C	S	.	.			trans	-81.5	147.7	165.4	70.9	45.2	0	0	0	109.5	R275 E425 Q466 C470 S471 S472	R275-D468 IonicContact CZ-OD2 2.65Å; R275-D468 IonicContact NH1-OD1 2.6Å; R275-D468 PolarHBondContact NH1-OD1 3.01Å; R275-D468 IonicContact NH1-OD2 3.38Å; R275-D468 PolarHBondContact NH1-OD2 2.93Å; E425-D468 WeakPolarHBondContact OE1-CB 3.42Å; Q466-D468 HydrophobicContact CG-CB 4.36Å; Q466-D468 PolarHBondContact NE2-OD2 2.84Å; D468-C470 VanDerWaalsContact C-N 3.31Å; D468-C470 PolarHBondContact O-N 3.47Å; D468-S471 PolarHBondContact O-OG 3Å; D468-S471 WeakPolarHBondContact OD1-CA 3.45Å; D468-S471 WeakPolarHBondContact OD1-CB 3.48Å; D468-S471 PolarHBondContact OD1-N 3.39Å; D468-S471 PolarHBondContact OD1-OG 3.02Å; D468-S472 PolarHBondContact O-N 3.43Å
469	I	70.9	Confident	63.6	Low	77 Å²	77	67.2 Å²	67.2	40%	0.395	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-37.7	-169.1	-68.9	171.6	0	0	0	109.6	E425 W458 S471 S472 Y475	E425-I469 PolarHBondContact OE1-N 2.87Å; W458-I469 HydrophobicContact CB-CD1 3.35Å; W458-I469 HydrophobicContact CG-CD1 4.46Å; I469-S471 VanDerWaalsContact C-N 3.31Å; I469-S471 PolarHBondContact O-N 3.28Å; I469-S472 VanDerWaalsContact O-CB 3.28Å; I469-S472 WeakPolarHBondContact O-CB 3.3Å; I469-S472 PolarHBondContact O-N 3.21Å; I469-S472 VanDerWaalsContact O-N 3.09Å; I469-Y475 WeakPolarHBondContact O-CE1 3.25Å
470	C	82.1	Confident	65.7	Low	0 Å²	0	70.4 Å²	70.4	0%	0	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-21.8	-175.8	-60.1	0	0	0	0	114	Y417 C420 F421 D468 Y475	Y417-C470 HydrophobicContact CD2-CB 3.55Å; Y417-C470 HydrophobicContact CE2-CB 3.72Å; C420-C470 HydrophobicContact CB-CB 3.62Å; C420-C470 WeakPolarHBondContact CB-SG 3.23Å; C420-C470 WeakPolarHBondContact SG-CA 3.36Å; C420-C470 WeakPolarHBondContact SG-CB 3.49Å; C420-C470 CovalentContact SG-SG 2.04Å; C420-C470 PolarHBondContact SG-SG 2.74Å; F421-C470 PolarHBondContact N-SG 3.42Å; F421-C470 VanDerWaalsContact N-SG 3.41Å; D468-C470 VanDerWaalsContact C-N 3.31Å; D468-C470 PolarHBondContact O-N 3.47Å; C470-Y475 PolarHBondContact O-OH 3.31Å
471	S	77.7	Confident	67.7	Low	32 Å²	32	71.6 Å²	71.6	22%	0.224	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-17.4	169.8	65.4	0	0	0	0	113.5	R275 D468 I469 R478	R275-S471 VanDerWaalsContact NH1-CB 3.29Å; D468-S471 PolarHBondContact O-OG 3Å; D468-S471 WeakPolarHBondContact OD1-CA 3.45Å; D468-S471 WeakPolarHBondContact OD1-CB 3.48Å; D468-S471 PolarHBondContact OD1-N 3.39Å; D468-S471 PolarHBondContact OD1-OG 3.02Å; I469-S471 VanDerWaalsContact C-N 3.31Å; I469-S471 PolarHBondContact O-N 3.28Å; S471-R478 WeakPolarHBondContact O-CD 3.41Å
472	S	70.3	Confident	69.6	Low	28 Å²	28	68.7 Å²	68.7	20%	0.196	36%	0.363	C	S	.	.	S	Bend	trans	-70.9	146.4	-178.7	-171.1	0	0	0	0	111.9	D468 I469 V474 Y475	D468-S472 PolarHBondContact O-N 3.43Å; I469-S472 VanDerWaalsContact O-CB 3.28Å; I469-S472 WeakPolarHBondContact O-CB 3.3Å; I469-S472 PolarHBondContact O-N 3.21Å; I469-S472 VanDerWaalsContact O-N 3.09Å; S472-V474 PolarHBondContact O-N 3.41Å; S472-V474 WeakPolarHBondContact OG-CB 3.49Å; S472-V474 WeakPolarHBondContact OG-CG2 3.42Å; S472-V474 PolarHBondContact OG-N 2.97Å; S472-Y475 VanDerWaalsContact O-CE1 3.3Å; S472-Y475 WeakPolarHBondContact O-CE1 3.45Å
473	N	66.3	Low	71.9	Confident	45 Å²	45	64 Å²	64	24%	0.241	35%	0.348	C	S	.	.	S	Bend	trans	-77.5	-0.2	171	-70.9	-56	0	0	0	112.8	Y475 G476 T527	N473-Y475 VanDerWaalsContact C-N 3.34Å; N473-Y475 PolarHBondContact O-N 3.42Å; N473-G476 PolarHBondContact O-N 3.37Å; N473-T527 WeakPolarHBondContact ND2-CG2 3.5Å
474	V	58.4	Low	74.5	Confident	127 Å²	127	55.5 Å²	55.5	77%	0.77	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-34.4	-167.5	166.5	0	0	0	0	113.9	S472	S472-V474 PolarHBondContact O-N 3.41Å; S472-V474 WeakPolarHBondContact OG-CB 3.49Å; S472-V474 WeakPolarHBondContact OG-CG2 3.42Å; S472-V474 PolarHBondContact OG-N 2.97Å
475	Y	64.6	Low	77	Confident	87 Å²	87	52.3 Å²	52.3	34%	0.341	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	3	176.4	64	-75.5	0	0	0	113.5	E416 I469 C470 S472 N473 L477	E416-Y475 VanDerWaalsContact CD-OH 3.24Å; E416-Y475 WeakPolarHBondContact OE1-CE2 3.36Å; E416-Y475 VanDerWaalsContact OE1-CZ 3.3Å; E416-Y475 PolarHBondContact OE1-OH 3Å; E416-Y475 PolarHBondContact OE2-OH 3.36Å; I469-Y475 WeakPolarHBondContact O-CE1 3.25Å; C470-Y475 PolarHBondContact O-OH 3.31Å; S472-Y475 VanDerWaalsContact O-CE1 3.3Å; S472-Y475 WeakPolarHBondContact O-CE1 3.45Å; N473-Y475 VanDerWaalsContact C-N 3.34Å; N473-Y475 PolarHBondContact O-N 3.42Å; Y475-L477 VanDerWaalsContact C-N 3.26Å; Y475-L477 HydrophobicContact CD2-CB 3.51Å; Y475-L477 HydrophobicContact CD2-CD2 4.47Å; Y475-L477 HydrophobicContact CE2-CB 3.24Å; Y475-L477 HydrophobicContact CE2-CD2 3.87Å; Y475-L477 HydrophobicContact CE2-CG 4.16Å; Y475-L477 PolarHBondContact O-N 3.38Å; Y475-L477 VanDerWaalsContact O-N 3.14Å
476	G	74.2	Confident	79.4	Confident	37 Å²	37	44.7 Å²	44.7	38%	0.381	25%	0.25	S	S	.	.	S	Bend	trans	72.6	0.3	168.9	0	0	0	0	0	117.1	N473 P479	N473-G476 PolarHBondContact O-N 3.37Å; G476-P479 WeakPolarHBondContact O-CD 3.41Å
477	L	86.3	Confident	81.7	Confident	72 Å²	72	46.3 Å²	46.3	38%	0.377	26%	0.26	S	S	.	.	H	α-helix	trans	-76.9	-35.6	-176.5	-168.7	60.3	0	0	0	113.5	E416 Y475 V480 I481	E416-L477 HydrophobicContact CG-CD2 4Å; E416-L477 HydrophobicContact CG-CG 4.45Å; Y475-L477 VanDerWaalsContact C-N 3.26Å; Y475-L477 HydrophobicContact CD2-CB 3.51Å; Y475-L477 HydrophobicContact CD2-CD2 4.47Å; Y475-L477 HydrophobicContact CE2-CB 3.24Å; Y475-L477 HydrophobicContact CE2-CD2 3.87Å; Y475-L477 HydrophobicContact CE2-CG 4.16Å; Y475-L477 PolarHBondContact O-N 3.38Å; Y475-L477 VanDerWaalsContact O-N 3.14Å; L477-V480 WeakPolarHBondContact O-CA 3.49Å; L477-V480 VanDerWaalsContact O-CB 3.31Å; L477-V480 WeakPolarHBondContact O-CB 3.39Å; L477-V480 PolarHBondContact O-N 3.36Å; L477-I481 HydrophobicContact CD1-CD1 4.47Å; L477-I481 HydrophobicContact CG-CD1 4.49Å; L477-I481 HydrophobicContact CG-CG1 4.12Å; L477-I481 PolarHBondContact O-N 2.95Å
478	R	87.3	Confident	83.7	Confident	37 Å²	37	40.6 Å²	40.6	14%	0.14	23%	0.23	C	C	.	.	H	α-helix	trans	-56.7	-46	-176.7	-62.2	-173.9	64.2	72.1	-5.9	113.5	L413 E416 S471 V480 I481 A482	L413-R478 HydrophobicContact CD2-CB 4.21Å; L413-R478 WeakPolarHBondContact CD2-O 3.38Å; L413-R478 PolarHBondContact O-NH1 3.49Å; L413-R478 VanDerWaalsContact O-NH1 3.13Å; E416-R478 IonicContact OE2-NH1 3.3Å; E416-R478 PolarHBondContact OE2-NH1 3.27Å; S471-R478 WeakPolarHBondContact O-CD 3.41Å; R478-V480 VanDerWaalsContact C-N 3.28Å; R478-V480 PolarHBondContact O-N 3.04Å; R478-I481 PolarHBondContact O-N 3.18Å; R478-A482 WeakPolarHBondContact O-CB 3.48Å; R478-A482 PolarHBondContact O-N 3.36Å
479	P	91	Very high	85.1	Confident	20 Å²	20	40.9 Å²	40.9	13%	0.13	23%	0.231	C	C	.	.	H	α-helix	trans	-59.2	-36.7	172.6	-24.9	34.8	0	0	0	113.6	G476 A482 I483 V520 T524	G476-P479 WeakPolarHBondContact O-CD 3.41Å; P479-A482 PolarHBondContact O-N 2.95Å; P479-I483 WeakPolarHBondContact O-CG1 3.49Å; P479-I483 PolarHBondContact O-N 3.02Å; P479-V520 HydrophobicContact CB-CG1 3.9Å; P479-T524 HydrophobicContact CB-CG2 4.34Å; P479-T524 WeakPolarHBondContact CB-OG1 3.29Å; P479-T524 HydrophobicContact CG-CG2 3.64Å; P479-T524 VanDerWaalsContact CG-OG1 3.24Å; P479-T524 WeakPolarHBondContact CG-OG1 3.42Å
480	V	92.5	Very high	86.4	Confident	83 Å²	83	39.6 Å²	39.6	50%	0.503	22%	0.222	S	C	.	.	H	α-helix	trans	-64.5	-49.5	177.2	178.7	0	0	0	0	110	L477 R478 A482 I483 I484	L477-V480 WeakPolarHBondContact O-CA 3.49Å; L477-V480 VanDerWaalsContact O-CB 3.31Å; L477-V480 WeakPolarHBondContact O-CB 3.39Å; L477-V480 PolarHBondContact O-N 3.36Å; R478-V480 VanDerWaalsContact C-N 3.28Å; R478-V480 PolarHBondContact O-N 3.04Å; V480-A482 VanDerWaalsContact C-N 3.31Å; V480-A482 PolarHBondContact O-N 3.44Å; V480-I483 PolarHBondContact O-N 3.28Å; V480-I483 VanDerWaalsContact O-N 3.15Å; V480-I484 WeakPolarHBondContact O-CG1 3.28Å; V480-I484 PolarHBondContact O-N 3.47Å
481	I	93.3	Very high	87.2	Confident	28 Å²	28	42.3 Å²	42.3	14%	0.144	24%	0.236	C	C	.	.	H	α-helix	trans	-60.4	-40.8	176.9	-61.9	-53.2	0	0	0	111.8	F412 L413 E416 L477 R478 I483 I484	F412-I481 HydrophobicContact CB-CG2 3.73Å; L413-I481 HydrophobicContact CD2-CB 4.12Å; L413-I481 HydrophobicContact CD2-CG2 4.02Å; E416-I481 HydrophobicContact CB-CG1 4.25Å; E416-I481 HydrophobicContact CG-CG1 3.98Å; L477-I481 HydrophobicContact CD1-CD1 4.47Å; L477-I481 HydrophobicContact CG-CD1 4.49Å; L477-I481 HydrophobicContact CG-CG1 4.12Å; L477-I481 PolarHBondContact O-N 2.95Å; R478-I481 PolarHBondContact O-N 3.18Å; I481-I483 PolarHBondContact O-N 3.3Å; I481-I484 HydrophobicContact CD1-CD1 3.6Å; I481-I484 PolarHBondContact O-N 2.88Å
482	A	93.3	Very high	88.1	Confident	17 Å²	17	40.8 Å²	40.8	14%	0.14	23%	0.226	C	C	.	.	H	α-helix	trans	-61.3	-29.6	178.2	0	0	0	0	0	113.2	V409 L413 R478 P479 V480 V520	V409-A482 HydrophobicContact CG1-CB 4.32Å; L413-A482 HydrophobicContact CD2-CB 4.39Å; R478-A482 WeakPolarHBondContact O-CB 3.48Å; R478-A482 PolarHBondContact O-N 3.36Å; P479-A482 PolarHBondContact O-N 2.95Å; V480-A482 VanDerWaalsContact C-N 3.31Å; V480-A482 PolarHBondContact O-N 3.44Å; A482-V520 HydrophobicContact CB-CG1 4.37Å; A482-V520 HydrophobicContact CB-CG2 4.27Å
483	I	95.8	Very high	89.4	Confident	33 Å²	33	39.6 Å²	39.6	17%	0.169	22%	0.218	C	C	.	.	H	α-helix	trans	-83.3	-25.7	179.1	-75.3	169.6	0	0	0	112.6	P479 V480 I481 A486 L487 F517 V520	P479-I483 WeakPolarHBondContact O-CG1 3.49Å; P479-I483 PolarHBondContact O-N 3.02Å; V480-I483 PolarHBondContact O-N 3.28Å; V480-I483 VanDerWaalsContact O-N 3.15Å; I481-I483 PolarHBondContact O-N 3.3Å; I483-A486 PolarHBondContact O-N 3.49Å; I483-L487 HydrophobicContact CG2-CB 4.09Å; I483-L487 PolarHBondContact O-N 2.89Å; I483-F517 HydrophobicContact CB-CD1 4.46Å; I483-F517 HydrophobicContact CG1-CD1 4.28Å; I483-F517 HydrophobicContact CG2-CD1 3.52Å; I483-F517 HydrophobicContact CG2-CE1 3.59Å; I483-V520 HydrophobicContact CD1-CB 3.9Å; I483-V520 HydrophobicContact CD1-CG1 3.76Å; I483-V520 HydrophobicContact CG1-CB 3.76Å; I483-V520 HydrophobicContact CG1-CG1 3.79Å; I483-V520 HydrophobicContact CG1-CG2 3.91Å
484	I	96	Very high	90.9	Very high	46 Å²	46	40.5 Å²	40.5	24%	0.236	22%	0.222	C	C	.	.	H	α-helix	trans	-48.9	-50.4	-172.6	-75	174.1	0	0	0	113.2	F387 V480 I481 A486 L487 I488	F387-I484 HydrophobicContact CE1-CG2 4.01Å; V480-I484 WeakPolarHBondContact O-CG1 3.28Å; V480-I484 PolarHBondContact O-N 3.47Å; I481-I484 HydrophobicContact CD1-CD1 3.6Å; I481-I484 PolarHBondContact O-N 2.88Å; I484-A486 VanDerWaalsContact C-N 3.33Å; I484-A486 PolarHBondContact O-N 3.25Å; I484-L487 PolarHBondContact O-N 3.47Å; I484-L487 VanDerWaalsContact O-N 3.17Å; I484-I488 HydrophobicContact CG2-CD1 3.75Å; I484-I488 HydrophobicContact CG2-CG1 4.34Å; I484-I488 WeakPolarHBondContact O-CG1 3.28Å; I484-I488 PolarHBondContact O-N 3.23Å
485	P	97.1	Very high	92.7	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-61.3	-38.2	-179.7	-27.6	38.4	0	0	0	114.1	M405 N406 V409 F412 R489	M405-P485 HydrophobicContact CB-CB 3.98Å; M405-P485 HydrophobicContact CB-CG 4.43Å; N406-P485 PolarHBondContact ND2-O 2.8Å; N406-P485 VanDerWaalsContact ND2-O 3.09Å; V409-P485 HydrophobicContact CG2-CB 4.47Å; V409-P485 HydrophobicContact CG2-CG 4.05Å; F412-P485 HydrophobicContact CD2-CG 3.91Å; F412-P485 HydrophobicContact CE2-CG 4.06Å; P485-R489 PolarHBondContact O-N 2.91Å
486	A	97.6	Very high	94.2	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.008	19%	0.193	C	C	.	.	H	α-helix	trans	-71.6	-36.8	176.4	0	0	0	0	0	111.4	N406 I483 I484 R489 F490 T516 F517	N406-A486 PolarHBondContact OD1-N 2.78Å; I483-A486 PolarHBondContact O-N 3.49Å; I484-A486 VanDerWaalsContact C-N 3.33Å; I484-A486 PolarHBondContact O-N 3.25Å; A486-R489 PolarHBondContact O-N 3.33Å; A486-F490 VanDerWaalsContact O-CB 3.29Å; A486-F490 WeakPolarHBondContact O-CB 3.32Å; A486-F490 PolarHBondContact O-N 3.45Å; A486-T516 HydrophobicContact CB-CG2 3.78Å; A486-F517 HydrophobicContact CB-CD1 4.46Å; A486-F517 HydrophobicContact CB-CE1 3.9Å
487	L	97.7	Very high	95.2	Very high	71 Å²	71	38.8 Å²	38.8	37%	0.372	19%	0.19	S	C	.	.	H	α-helix	trans	-64.8	-46	176.6	178.3	61.6	0	0	0	111.9	I483 I484 R489 F490 L491 F517	I483-L487 HydrophobicContact CG2-CB 4.09Å; I483-L487 PolarHBondContact O-N 2.89Å; I484-L487 PolarHBondContact O-N 3.47Å; I484-L487 VanDerWaalsContact O-N 3.17Å; L487-R489 VanDerWaalsContact C-N 3.27Å; L487-R489 PolarHBondContact O-N 3.11Å; L487-F490 HydrophobicContact CD1-CD1 4.35Å; L487-F490 WeakPolarHBondContact O-CB 3.47Å; L487-F490 PolarHBondContact O-N 2.75Å; L487-L491 HydrophobicContact CD1-CD1 4.23Å; L487-L491 HydrophobicContact CD1-CG 4.17Å; L487-L491 HydrophobicContact CG-CD1 4.15Å; L487-L491 HydrophobicContact CG-CG 4.5Å; L487-L491 WeakPolarHBondContact O-CG 3.34Å; L487-L491 PolarHBondContact O-N 2.75Å; L487-F517 HydrophobicContact CB-CE1 4.22Å; L487-F517 HydrophobicContact CB-CZ 4.36Å; L487-F517 HydrophobicContact CD1-CZ 4.21Å
488	I	97.9	Very high	95.7	Very high	9 Å²	9	43.2 Å²	43.2	5%	0.046	20%	0.202	C	C	.	.	H	α-helix	trans	-52.6	-50.5	173.8	-73.9	167.5	0	0	0	109.8	C386 F387 A402 M405 I484 F490 L491 Q492	C386-I488 HydrophobicContact CB-CG2 3.98Å; C386-I488 VanDerWaalsContact O-CG2 3.32Å; C386-I488 WeakPolarHBondContact O-CG2 3.38Å; F387-I488 HydrophobicContact CD1-CD1 3.72Å; F387-I488 HydrophobicContact CE1-CD1 3.64Å; F387-I488 HydrophobicContact CG-CD1 4.32Å; F387-I488 HydrophobicContact CZ-CD1 4.18Å; A402-I488 HydrophobicContact CB-CG2 3.78Å; M405-I488 HydrophobicContact CE-CD1 4.12Å; M405-I488 HydrophobicContact SD-CD1 4.31Å; I484-I488 HydrophobicContact CG2-CD1 3.75Å; I484-I488 HydrophobicContact CG2-CG1 4.34Å; I484-I488 WeakPolarHBondContact O-CG1 3.28Å; I484-I488 PolarHBondContact O-N 3.23Å; I488-F490 PolarHBondContact O-N 3.18Å; I488-L491 PolarHBondContact O-N 2.87Å; I488-Q492 WeakPolarHBondContact O-CG 3.27Å; I488-Q492 PolarHBondContact O-N 2.88Å
489	R	97.4	Very high	96	Very high	8 Å²	8	44.2 Å²	44.2	3%	0.03	21%	0.21	C	C	.	.	H	α-helix	trans	-67.2	-39.2	-177.9	-135.5	-53.2	-167.7	130.4	15.2	112.3	A402 D403 P485 A486 L487 Q492 C493 N509 Y513	A402-R489 HydrophobicContact CB-CB 4.48Å; A402-R489 HydrophobicContact CB-CG 4.02Å; D403-R489 IonicContact OD1-NE 2.72Å; D403-R489 IonicContact OD1-NH2 3.45Å; D403-R489 IonicContact OD2-CZ 3.71Å; D403-R489 IonicContact OD2-NE 3.7Å; D403-R489 IonicContact OD2-NH2 3.7Å; D403-R489 PolarHBondContact OD2-NH2 2.89Å; P485-R489 PolarHBondContact O-N 2.91Å; A486-R489 PolarHBondContact O-N 3.33Å; L487-R489 VanDerWaalsContact C-N 3.27Å; L487-R489 PolarHBondContact O-N 3.11Å; R489-Q492 PolarHBondContact O-N 2.8Å; R489-C493 PolarHBondContact NH1-SG 2.86Å; R489-C493 PolarHBondContact O-N 2.73Å; R489-C493 PolarHBondContact O-SG 3.28Å; R489-N509 PolarHBondContact NH1-ND2 3.4Å; R489-N509 PolarHBondContact NH1-OD1 2.96Å; R489-N509 PolarHBondContact NH2-ND2 3.33Å; R489-Y513 HydrophobicContact CB-CD1 3.68Å; R489-Y513 HydrophobicContact CB-CD2 4.05Å; R489-Y513 HydrophobicContact CB-CE1 3.81Å; R489-Y513 HydrophobicContact CB-CE2 4.26Å; R489-Y513 HydrophobicContact CB-CG 3.81Å; R489-Y513 HydrophobicContact CG-CD1 4.03Å; R489-Y513 HydrophobicContact CG-CD2 4.15Å; R489-Y513 HydrophobicContact CG-CE1 3.62Å; R489-Y513 HydrophobicContact CG-CE2 3.85Å; R489-Y513 HydrophobicContact CG-CG 4.28Å; R489-Y513 VanDerWaalsContact CZ-OH 3.24Å; R489-Y513 PolarHBondContact NH2-OH 3.5Å
490	F	98.1	Very high	96	Very high	51 Å²	51	46.1 Å²	46.1	22%	0.224	22%	0.224	C	C	.	.	H	α-helix	trans	-57.7	-48.7	173.6	174.1	-98.7	0	0	0	111.3	A486 L487 I488 Q492 C493 L494 A510 F517	A486-F490 VanDerWaalsContact O-CB 3.29Å; A486-F490 WeakPolarHBondContact O-CB 3.32Å; A486-F490 PolarHBondContact O-N 3.45Å; L487-F490 HydrophobicContact CD1-CD1 4.35Å; L487-F490 WeakPolarHBondContact O-CB 3.47Å; L487-F490 PolarHBondContact O-N 2.75Å; I488-F490 PolarHBondContact O-N 3.18Å; F490-Q492 PolarHBondContact O-N 2.94Å; F490-C493 WeakPolarHBondContact O-CB 3.25Å; F490-C493 PolarHBondContact O-N 2.94Å; F490-C493 VanDerWaalsContact O-N 3.11Å; F490-L494 HydrophobicContact CD1-CD1 4.1Å; F490-L494 HydrophobicContact CE1-CD1 3.46Å; F490-L494 VanDerWaalsContact CE1-CD1 3.46Å; F490-L494 HydrophobicContact CE1-CG 4.2Å; F490-L494 HydrophobicContact CZ-CD1 3.73Å; F490-L494 HydrophobicContact CZ-CD2 4.42Å; F490-L494 HydrophobicContact CZ-CG 4.23Å; F490-L494 PolarHBondContact O-N 3.37Å; F490-A510 HydrophobicContact CD2-CB 3.84Å; F490-A510 WeakPolarHBondContact CD2-O 3.34Å; F490-A510 HydrophobicContact CE2-CB 3.94Å; F490-F517 HydrophobicContact CB-CE2 4.48Å; F490-F517 HydrophobicContact CB-CZ 3.91Å; F490-F517 HydrophobicContact CD1-CE2 4.39Å; F490-F517 HydrophobicContact CD1-CZ 4.39Å; F490-F517 HydrophobicContact CD2-CE2 4.29Å; F490-F517 HydrophobicContact CG-CE2 4.14Å; F490-F517 HydrophobicContact CG-CZ 4.04Å
491	L	98.1	Very high	96.1	Very high	56 Å²	56	51.4 Å²	51.4	29%	0.293	23%	0.234	S	C	.	.	H	α-helix	trans	-63.3	-40.8	177.6	-67.7	173.1	0	0	0	112.2	L487 I488 C493 L494 R495	L487-L491 HydrophobicContact CD1-CD1 4.23Å; L487-L491 HydrophobicContact CD1-CG 4.17Å; L487-L491 HydrophobicContact CG-CD1 4.15Å; L487-L491 HydrophobicContact CG-CG 4.5Å; L487-L491 WeakPolarHBondContact O-CG 3.34Å; L487-L491 PolarHBondContact O-N 2.75Å; I488-L491 PolarHBondContact O-N 2.87Å; L491-C493 VanDerWaalsContact C-N 3.29Å; L491-C493 PolarHBondContact O-N 3.39Å; L491-L494 PolarHBondContact O-N 2.9Å; L491-R495 WeakPolarHBondContact O-CB 3.4Å; L491-R495 PolarHBondContact O-N 3.01Å
492	Q	97.4	Very high	96	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-58.6	-39.9	172.3	-74.9	178.2	-22.7	0	0	112.1	A389 V394 D398 F399 A402 I488 R489 F490 R495 R496	A389-Q492 HydrophobicContact CB-CB 4.44Å; A389-Q492 HydrophobicContact CB-CG 3.41Å; A389-Q492 VanDerWaalsContact CB-CG 3.41Å; V394-Q492 HydrophobicContact CG1-CB 4.09Å; V394-Q492 HydrophobicContact CG1-CG 4.04Å; V394-Q492 HydrophobicContact CG2-CB 4.13Å; V394-Q492 HydrophobicContact CG2-CG 4.04Å; D398-Q492 VanDerWaalsContact C-NE2 3.28Å; D398-Q492 PolarHBondContact O-NE2 2.89Å; F399-Q492 VanDerWaalsContact CA-OE1 3.28Å; A402-Q492 VanDerWaalsContact CB-OE1 3.26Å; I488-Q492 WeakPolarHBondContact O-CG 3.27Å; I488-Q492 PolarHBondContact O-N 2.88Å; R489-Q492 PolarHBondContact O-N 2.8Å; F490-Q492 PolarHBondContact O-N 2.94Å; Q492-R495 PolarHBondContact O-N 3.06Å; Q492-R496 WeakPolarHBondContact O-CG 3.39Å; Q492-R496 PolarHBondContact O-N 2.94Å
493	C	97.1	Very high	96	Very high	3 Å²	3	53.2 Å²	53.2	2%	0.02	25%	0.254	C	S	.	.	H	α-helix	trans	-64.9	-44.3	177.3	-64.2	0	0	0	0	111.9	R489 F490 L491 R495 R496 Y497 A510	R489-C493 PolarHBondContact NH1-SG 2.86Å; R489-C493 PolarHBondContact O-N 2.73Å; R489-C493 PolarHBondContact O-SG 3.28Å; F490-C493 WeakPolarHBondContact O-CB 3.25Å; F490-C493 PolarHBondContact O-N 2.94Å; F490-C493 VanDerWaalsContact O-N 3.11Å; L491-C493 VanDerWaalsContact C-N 3.29Å; L491-C493 PolarHBondContact O-N 3.39Å; C493-R495 VanDerWaalsContact C-N 3.33Å; C493-R495 PolarHBondContact O-N 3.37Å; C493-R496 PolarHBondContact O-N 3.31Å; C493-Y497 PolarHBondContact O-N 2.97Å; C493-A510 HydrophobicContact CB-CB 3.62Å
494	L	97.4	Very high	96	Very high	64 Å²	64	57.2 Å²	57.2	34%	0.335	27%	0.27	S	S	.	.	H	α-helix	trans	-63.1	-40.7	176.3	-65.2	-175.6	0	0	0	111.6	F490 L491 Y497 R498 L507 A510	F490-L494 HydrophobicContact CD1-CD1 4.1Å; F490-L494 HydrophobicContact CE1-CD1 3.46Å; F490-L494 VanDerWaalsContact CE1-CD1 3.46Å; F490-L494 HydrophobicContact CE1-CG 4.2Å; F490-L494 HydrophobicContact CZ-CD1 3.73Å; F490-L494 HydrophobicContact CZ-CD2 4.42Å; F490-L494 HydrophobicContact CZ-CG 4.23Å; F490-L494 PolarHBondContact O-N 3.37Å; L491-L494 PolarHBondContact O-N 2.9Å; L494-Y497 WeakPolarHBondContact O-CB 3.39Å; L494-Y497 PolarHBondContact O-N 2.83Å; L494-R498 PolarHBondContact O-N 3.36Å; L494-L507 HydrophobicContact CD2-CD2 3.94Å; L494-A510 HydrophobicContact CD2-CB 4.32Å
495	R	96.8	Very high	95.8	Very high	54 Å²	54	57.3 Å²	57.3	20%	0.204	27%	0.273	C	S	.	.	H	α-helix	trans	-60.5	-48.2	175	176.4	63.9	-154.6	-157.4	3.7	111.7	H392 V394 L491 Q492 C493 Y497 R498 D499	H392-R495 WeakPolarHBondContact O-CG 3.39Å; H392-R495 PolarHBondContact O-NE 3.31Å; V394-R495 HydrophobicContact CG2-CB 4.07Å; V394-R495 HydrophobicContact CG2-CG 3.77Å; L491-R495 WeakPolarHBondContact O-CB 3.4Å; L491-R495 PolarHBondContact O-N 3.01Å; Q492-R495 PolarHBondContact O-N 3.06Å; C493-R495 VanDerWaalsContact C-N 3.33Å; C493-R495 PolarHBondContact O-N 3.37Å; R495-Y497 VanDerWaalsContact C-N 3.31Å; R495-Y497 PolarHBondContact O-N 3.34Å; R495-R498 WeakPolarHBondContact O-CB 3.28Å; R495-R498 PolarHBondContact O-N 3.03Å; R495-R498 VanDerWaalsContact O-N 3.15Å; R495-D499 IonicContact CZ-OD1 3.54Å; R495-D499 IonicContact CZ-OD2 3.11Å; R495-D499 VanDerWaalsContact NE-CG 3.31Å; R495-D499 IonicContact NE-OD1 3.32Å; R495-D499 PolarHBondContact NE-OD1 3.43Å; R495-D499 VanDerWaalsContact NE-OD1 3.13Å; R495-D499 IonicContact NE-OD2 3.51Å; R495-D499 PolarHBondContact NE-OD2 3.13Å; R495-D499 IonicContact NH2-OD1 3.59Å; R495-D499 PolarHBondContact NH2-OD1 3.32Å; R495-D499 IonicContact NH2-OD2 3.73Å; R495-D499 PolarHBondContact NH2-OD2 3.34Å; R495-D499 PolarHBondContact O-N 3.41Å
496	R	95.4	Very high	95.7	Very high	78 Å²	78	58.1 Å²	58.1	29%	0.294	28%	0.277	S	S	.	.	H	α-helix	trans	-64.4	-34.3	177.3	-69.7	-175.2	70.2	-176.9	4	113	V394 Q492 C493 D499 S500 H506	V394-R496 HydrophobicContact CB-CG 3.79Å; V394-R496 HydrophobicContact CG1-CG 4.21Å; V394-R496 HydrophobicContact CG2-CG 4.32Å; Q492-R496 WeakPolarHBondContact O-CG 3.39Å; Q492-R496 PolarHBondContact O-N 2.94Å; C493-R496 PolarHBondContact O-N 3.31Å; R496-D499 PolarHBondContact O-N 3.15Å; R496-S500 WeakPolarHBondContact O-CB 3.44Å; R496-S500 PolarHBondContact O-N 3.4Å; R496-S500 PolarHBondContact O-OG 3.02Å; R496-H506 WeakPolarHBondContact CB-ND1 3.36Å; R496-H506 PolarHBondContact NE-CE1 3.19Å
497	Y	96.1	Very high	95.7	Very high	83 Å²	83	61 Å²	61	33%	0.325	29%	0.292	S	S	.	.	H	α-helix	trans	-62.7	-45.9	171.3	169.7	-115.6	0	0	0	111.5	C493 L494 R495 D499 R501 A502 A503 L507	C493-Y497 PolarHBondContact O-N 2.97Å; L494-Y497 WeakPolarHBondContact O-CB 3.39Å; L494-Y497 PolarHBondContact O-N 2.83Å; R495-Y497 VanDerWaalsContact C-N 3.31Å; R495-Y497 PolarHBondContact O-N 3.34Å; Y497-D499 VanDerWaalsContact C-N 3.31Å; Y497-D499 PolarHBondContact O-N 3.09Å; Y497-R501 VanDerWaalsContact O-CA 3.23Å; Y497-R501 WeakPolarHBondContact O-CA 3.17Å; Y497-R501 PolarHBondContact O-N 2.82Å; Y497-A502 WeakPolarHBondContact CD2-O 3.1Å; Y497-A503 HydrophobicContact CE2-CB 4.26Å; Y497-L507 HydrophobicContact CD1-CD1 4.26Å; Y497-L507 HydrophobicContact CD1-CD2 3.66Å; Y497-L507 HydrophobicContact CD1-CG 4.1Å; Y497-L507 HydrophobicContact CD2-CD1 4.03Å; Y497-L507 HydrophobicContact CD2-CD2 4.25Å; Y497-L507 HydrophobicContact CD2-CG 3.81Å; Y497-L507 HydrophobicContact CE1-CD1 4.05Å; Y497-L507 HydrophobicContact CE1-CD2 4.18Å; Y497-L507 HydrophobicContact CE1-CG 4.4Å; Y497-L507 HydrophobicContact CE2-CD1 3.82Å; Y497-L507 HydrophobicContact CE2-CG 4.15Å; Y497-L507 HydrophobicContact CG-CD1 4.23Å; Y497-L507 HydrophobicContact CG-CD2 3.68Å; Y497-L507 HydrophobicContact CG-CG 3.77Å
498	R	95.5	Very high	95.7	Very high	165 Å²	165	62.9 Å²	62.9	62%	0.623	30%	0.298	S	S	*	.	H	α-helix	trans	-58.1	-43.8	176.7	177	-179.1	174.6	151.8	0.7	111.9	L494 R495 R501	L494-R498 PolarHBondContact O-N 3.36Å; R495-R498 WeakPolarHBondContact O-CB 3.28Å; R495-R498 PolarHBondContact O-N 3.03Å; R495-R498 VanDerWaalsContact O-N 3.15Å; R498-R501 WeakPolarHBondContact O-CD 3.29Å; R498-R501 PolarHBondContact O-NE 3.45Å
499	D	93.5	Very high	95.6	Very high	58 Å²	58	63 Å²	63	31%	0.31	30%	0.299	S	S	.	.	H	α-helix	trans	-73.6	-44.6	-176.3	-68.7	-20.2	0	0	0	112.7	Y393 R495 R496 Y497	Y393-D499 WeakPolarHBondContact CD2-OD2 3.23Å; R495-D499 IonicContact CZ-OD1 3.54Å; R495-D499 IonicContact CZ-OD2 3.11Å; R495-D499 VanDerWaalsContact NE-CG 3.31Å; R495-D499 IonicContact NE-OD1 3.32Å; R495-D499 PolarHBondContact NE-OD1 3.43Å; R495-D499 VanDerWaalsContact NE-OD1 3.13Å; R495-D499 IonicContact NE-OD2 3.51Å; R495-D499 PolarHBondContact NE-OD2 3.13Å; R495-D499 IonicContact NH2-OD1 3.59Å; R495-D499 PolarHBondContact NH2-OD1 3.32Å; R495-D499 IonicContact NH2-OD2 3.73Å; R495-D499 PolarHBondContact NH2-OD2 3.34Å; R495-D499 PolarHBondContact O-N 3.41Å; R496-D499 PolarHBondContact O-N 3.15Å; Y497-D499 VanDerWaalsContact C-N 3.31Å; Y497-D499 PolarHBondContact O-N 3.09Å
500	S	92.2	Very high	95.6	Very high	59 Å²	59	62.9 Å²	62.9	41%	0.413	30%	0.299	S	S	.	.	H	α-helix	trans	-87.6	-19.3	-176.7	64.1	0	0	0	0	114.5	R496 A502 H506	R496-S500 WeakPolarHBondContact O-CB 3.44Å; R496-S500 PolarHBondContact O-N 3.4Å; R496-S500 PolarHBondContact O-OG 3.02Å; S500-A502 PolarHBondContact O-N 2.94Å; S500-A502 VanDerWaalsContact O-N 3.11Å; S500-A502 PolarHBondContact OG-N 3.24Å; S500-H506 PolarHBondContact OG-CD2 2.98Å; S500-H506 PolarHBondContact OG-NE2 3.09Å
501	R	93.8	Very high	95.6	Very high	194 Å²	194	61.5 Å²	61.5	73%	0.732	30%	0.299	S	S	*	.			trans	56.3	16.1	-169.1	-56.2	-62.5	-172.6	157.3	3	114.6	Y497 R498	Y497-R501 VanDerWaalsContact O-CA 3.23Å; Y497-R501 WeakPolarHBondContact O-CA 3.17Å; Y497-R501 PolarHBondContact O-N 2.82Å; R498-R501 WeakPolarHBondContact O-CD 3.29Å; R498-R501 PolarHBondContact O-NE 3.45Å
502	A	91.7	Very high	95.6	Very high	38 Å²	38	59.2 Å²	59.2	31%	0.314	29%	0.287	S	S	.	.			trans	-99.1	111.5	179.9	0	0	0	0	0	111	Y497 S500 F504 H506	Y497-A502 WeakPolarHBondContact CD2-O 3.1Å; S500-A502 PolarHBondContact O-N 2.94Å; S500-A502 VanDerWaalsContact O-N 3.11Å; S500-A502 PolarHBondContact OG-N 3.24Å; A502-F504 VanDerWaalsContact C-N 3.33Å; A502-F504 PolarHBondContact O-N 3.34Å; A502-H506 PolarHBondContact O-CD2 3.24Å; A502-H506 VanDerWaalsContact O-CD2 3.26Å
503	A	94	Very high	95.6	Very high	45 Å²	45	59.8 Å²	59.8	37%	0.372	29%	0.289	S	S	.	.	H	α-helix	trans	-59.7	-43.9	179.1	0	0	0	0	0	111.8	Y497 H506 L507	Y497-A503 HydrophobicContact CE2-CB 4.26Å; A503-H506 PolarHBondContact O-N 3.27Å; A503-L507 HydrophobicContact CB-CD1 4.08Å; A503-L507 WeakPolarHBondContact O-CB 3.13Å; A503-L507 PolarHBondContact O-N 3.03Å
504	F	94.3	Very high	95.6	Very high	118 Å²	118	61 Å²	61	52%	0.518	30%	0.297	S	S	.	.	H	α-helix	trans	-98.1	134.5	170	-176.4	-92.7	0	0	0	110	A502 F508 M566	A502-F504 VanDerWaalsContact C-N 3.33Å; A502-F504 PolarHBondContact O-N 3.34Å; F504-F508 HydrophobicContact CB-CD2 4.25Å; F504-F508 HydrophobicContact CB-CE2 4.44Å; F504-F508 HydrophobicContact CD2-CB 4.39Å; F504-F508 AromaticContact CD2-CD2 3.98Å; F504-F508 HydrophobicContact CD2-CD2 3.98Å; F504-F508 HydrophobicContact CD2-CE2 4.49Å; F504-F508 HydrophobicContact CD2-CG 4.13Å; F504-M566 HydrophobicContact CE1-CE 3.94Å; F504-M566 HydrophobicContact CE2-CE 3.8Å; F504-M566 HydrophobicContact CE2-SD 4.33Å; F504-M566 HydrophobicContact CZ-CE 3.19Å; F504-M566 HydrophobicContact CZ-SD 3.85Å
505	P	93.2	Very high	95.6	Very high	47 Å²	47	58.5 Å²	58.5	31%	0.305	29%	0.285	S	S	.	.	H	α-helix	cis	-87.6	-4.2	3.3	34.5	-35.3	0	0	0	114.2	N509 W562 M566	P505-N509 WeakPolarHBondContact O-CB 3.4Å; P505-N509 PolarHBondContact O-N 3.35Å; P505-W562 HydrophobicContact CB-CH2 4.36Å; P505-M566 HydrophobicContact CB-CE 4.25Å
506	H	94.4	Very high	95.6	Very high	17 Å²	17	57.6 Å²	57.6	8%	0.079	29%	0.286	C	S	.	.	H	α-helix	trans	-66	-53.7	-161.9	-59.8	-51.4	0	0	0	115.2	R496 S500 A502 A503 F508 N509 A510	R496-H506 WeakPolarHBondContact CB-ND1 3.36Å; R496-H506 PolarHBondContact NE-CE1 3.19Å; S500-H506 PolarHBondContact OG-CD2 2.98Å; S500-H506 PolarHBondContact OG-NE2 3.09Å; A502-H506 PolarHBondContact O-CD2 3.24Å; A502-H506 VanDerWaalsContact O-CD2 3.26Å; A503-H506 PolarHBondContact O-N 3.27Å; H506-F508 VanDerWaalsContact C-N 3.34Å; H506-F508 PolarHBondContact O-N 3.27Å; H506-N509 WeakPolarHBondContact O-CB 3.49Å; H506-N509 PolarHBondContact O-N 3.39Å; H506-A510 PolarHBondContact O-N 2.96Å
507	L	96.9	Very high	95.7	Very high	61 Å²	61	55.7 Å²	55.7	32%	0.319	28%	0.28	S	S	.	.	H	α-helix	trans	-67.7	-35.1	-179.5	-67.1	-178.1	0	0	0	112.2	L494 Y497 A503 N509 A510 G511	L494-L507 HydrophobicContact CD2-CD2 3.94Å; Y497-L507 HydrophobicContact CD1-CD1 4.26Å; Y497-L507 HydrophobicContact CD1-CD2 3.66Å; Y497-L507 HydrophobicContact CD1-CG 4.1Å; Y497-L507 HydrophobicContact CD2-CD1 4.03Å; Y497-L507 HydrophobicContact CD2-CD2 4.25Å; Y497-L507 HydrophobicContact CD2-CG 3.81Å; Y497-L507 HydrophobicContact CE1-CD1 4.05Å; Y497-L507 HydrophobicContact CE1-CD2 4.18Å; Y497-L507 HydrophobicContact CE1-CG 4.4Å; Y497-L507 HydrophobicContact CE2-CD1 3.82Å; Y497-L507 HydrophobicContact CE2-CG 4.15Å; Y497-L507 HydrophobicContact CG-CD1 4.23Å; Y497-L507 HydrophobicContact CG-CD2 3.68Å; Y497-L507 HydrophobicContact CG-CG 3.77Å; A503-L507 HydrophobicContact CB-CD1 4.08Å; A503-L507 WeakPolarHBondContact O-CB 3.13Å; A503-L507 PolarHBondContact O-N 3.03Å; L507-N509 VanDerWaalsContact C-N 3.29Å; L507-N509 PolarHBondContact O-N 3.47Å; L507-A510 WeakPolarHBondContact O-CB 3.44Å; L507-A510 PolarHBondContact O-N 3.06Å; L507-G511 PolarHBondContact O-N 3.11Å
508	F	97.7	Very high	95.7	Very high	111 Å²	111	57 Å²	57	49%	0.487	29%	0.287	S	S	.	.	H	α-helix	trans	-65.9	-35.5	174.2	-73.6	-99.4	0	0	0	111.5	F504 H506 G511 K512 Y558 W562	F504-F508 HydrophobicContact CB-CD2 4.25Å; F504-F508 HydrophobicContact CB-CE2 4.44Å; F504-F508 HydrophobicContact CD2-CB 4.39Å; F504-F508 AromaticContact CD2-CD2 3.98Å; F504-F508 HydrophobicContact CD2-CD2 3.98Å; F504-F508 HydrophobicContact CD2-CE2 4.49Å; F504-F508 HydrophobicContact CD2-CG 4.13Å; H506-F508 VanDerWaalsContact C-N 3.34Å; H506-F508 PolarHBondContact O-N 3.27Å; F508-G511 PolarHBondContact O-N 3.5Å; F508-K512 PolarHBondContact O-N 2.94Å; F508-K512 VanDerWaalsContact O-N 3.15Å; F508-Y558 PolarHBondContact O-OH 3.14Å; F508-W562 HydrophobicContact CB-CH2 4.37Å; F508-W562 HydrophobicContact CB-CZ3 4.03Å
509	N	96.7	Very high	95.7	Very high	13 Å²	13	50.3 Å²	50.3	7%	0.07	27%	0.265	C	S	.	.	H	α-helix	trans	-70.9	-37.1	173.4	-143.5	-8.7	0	0	0	111.1	R489 P505 H506 L507 G511 K512 Y513 W562	R489-N509 PolarHBondContact NH1-ND2 3.4Å; R489-N509 PolarHBondContact NH1-OD1 2.96Å; R489-N509 PolarHBondContact NH2-ND2 3.33Å; P505-N509 WeakPolarHBondContact O-CB 3.4Å; P505-N509 PolarHBondContact O-N 3.35Å; H506-N509 WeakPolarHBondContact O-CB 3.49Å; H506-N509 PolarHBondContact O-N 3.39Å; L507-N509 VanDerWaalsContact C-N 3.29Å; L507-N509 PolarHBondContact O-N 3.47Å; N509-G511 VanDerWaalsContact C-N 3.29Å; N509-G511 PolarHBondContact O-N 3Å; N509-K512 WeakPolarHBondContact O-CB 3.23Å; N509-K512 PolarHBondContact O-N 2.79Å; N509-K512 VanDerWaalsContact O-N 3.07Å; N509-K512 WeakPolarHBondContact OD1-CE 3.24Å; N509-K512 PolarHBondContact OD1-NZ 3.47Å; N509-Y513 WeakPolarHBondContact O-CD2 3.46Å; N509-Y513 PolarHBondContact O-N 2.99Å; N509-Y513 WeakPolarHBondContact OD1-CE2 3.24Å; N509-W562 HydrophobicContact CB-CH2 3.52Å; N509-W562 HydrophobicContact CB-CZ2 3.65Å; N509-W562 HydrophobicContact CB-CZ3 4.33Å; N509-W562 WeakPolarHBondContact ND2-CZ2 3.18Å; N509-W562 VanDerWaalsContact OD1-CE2 3.32Å; N509-W562 VanDerWaalsContact OD1-CZ2 3.26Å; N509-W562 WeakPolarHBondContact OD1-CZ2 3.39Å
510	A	97.9	Very high	95.7	Very high	4 Å²	4	48.8 Å²	48.8	3%	0.033	26%	0.257	C	S	.	.	H	α-helix	trans	-58.1	-44.3	171.8	0	0	0	0	0	111	F490 C493 L494 H506 L507 K512 Y513 S514	F490-A510 HydrophobicContact CD2-CB 3.84Å; F490-A510 WeakPolarHBondContact CD2-O 3.34Å; F490-A510 HydrophobicContact CE2-CB 3.94Å; C493-A510 HydrophobicContact CB-CB 3.62Å; L494-A510 HydrophobicContact CD2-CB 4.32Å; H506-A510 PolarHBondContact O-N 2.96Å; L507-A510 WeakPolarHBondContact O-CB 3.44Å; L507-A510 PolarHBondContact O-N 3.06Å; A510-K512 PolarHBondContact O-N 2.74Å; A510-Y513 PolarHBondContact O-N 3.35Å; A510-S514 PolarHBondContact O-N 3.48Å
511	G	97.5	Very high	95.7	Very high	23 Å²	23	49.8 Å²	49.8	24%	0.237	26%	0.257	C	S	.	.	H	α-helix	trans	-57.9	-33.6	173.5	0	0	0	0	0	113.7	L507 F508 N509 S514 T515	L507-G511 PolarHBondContact O-N 3.11Å; F508-G511 PolarHBondContact O-N 3.5Å; N509-G511 VanDerWaalsContact C-N 3.29Å; N509-G511 PolarHBondContact O-N 3Å; G511-S514 WeakPolarHBondContact CA-OG 3.12Å; G511-S514 PolarHBondContact O-OG 3.22Å; G511-T515 WeakPolarHBondContact O-CG2 3.31Å
512	K	97.4	Very high	95.7	Very high	7 Å²	7	42.7 Å²	42.7	3%	0.03	23%	0.232	C	C	.	.	H	α-helix	trans	-60.7	-52.2	173.3	-174.1	-176.3	71.8	177.8	0	111.6	F508 N509 A510 S514 T515 Y558 T559 W562 D567	F508-K512 PolarHBondContact O-N 2.94Å; F508-K512 VanDerWaalsContact O-N 3.15Å; N509-K512 WeakPolarHBondContact O-CB 3.23Å; N509-K512 PolarHBondContact O-N 2.79Å; N509-K512 VanDerWaalsContact O-N 3.07Å; N509-K512 WeakPolarHBondContact OD1-CE 3.24Å; N509-K512 PolarHBondContact OD1-NZ 3.47Å; A510-K512 PolarHBondContact O-N 2.74Å; K512-S514 VanDerWaalsContact C-N 3.35Å; K512-T515 WeakPolarHBondContact O-CB 3.45Å; K512-T515 PolarHBondContact O-N 3.3Å; K512-T515 PolarHBondContact O-OG1 3.49Å; K512-Y558 HydrophobicContact CB-CD2 3.83Å; K512-Y558 HydrophobicContact CB-CE2 3.61Å; K512-Y558 HydrophobicContact CG-CD2 3.84Å; K512-Y558 HydrophobicContact CG-CE2 4.12Å; K512-T559 HydrophobicContact CD-CG2 4.21Å; K512-T559 HydrophobicContact CG-CG2 3.72Å; K512-W562 HydrophobicContact CD-CB 3.66Å; K512-W562 HydrophobicContact CD-CD2 3.78Å; K512-W562 HydrophobicContact CD-CE3 4.35Å; K512-W562 HydrophobicContact CD-CG 3.41Å; K512-W562 VanDerWaalsContact CD-CG 3.41Å; K512-D567 IonicContact NZ-OD2 3.43Å
513	Y	97.4	Very high	95.6	Very high	13 Å²	13	41.5 Å²	41.5	5%	0.051	22%	0.223	C	C	.	.	H	α-helix	trans	-74.9	-23.6	-177	-64.1	-84.9	0	0	0	113.1	D403 R489 N509 A510 T515 T516	D403-Y513 PolarHBondContact OD1-OH 2.84Å; R489-Y513 HydrophobicContact CB-CD1 3.68Å; R489-Y513 HydrophobicContact CB-CD2 4.05Å; R489-Y513 HydrophobicContact CB-CE1 3.81Å; R489-Y513 HydrophobicContact CB-CE2 4.26Å; R489-Y513 HydrophobicContact CB-CG 3.81Å; R489-Y513 HydrophobicContact CG-CD1 4.03Å; R489-Y513 HydrophobicContact CG-CD2 4.15Å; R489-Y513 HydrophobicContact CG-CE1 3.62Å; R489-Y513 HydrophobicContact CG-CE2 3.85Å; R489-Y513 HydrophobicContact CG-CG 4.28Å; R489-Y513 VanDerWaalsContact CZ-OH 3.24Å; R489-Y513 PolarHBondContact NH2-OH 3.5Å; N509-Y513 WeakPolarHBondContact O-CD2 3.46Å; N509-Y513 PolarHBondContact O-N 2.99Å; N509-Y513 WeakPolarHBondContact OD1-CE2 3.24Å; A510-Y513 PolarHBondContact O-N 3.35Å; Y513-T515 PolarHBondContact O-N 3.22Å; Y513-T516 WeakPolarHBondContact O-CB 3.48Å; Y513-T516 PolarHBondContact O-N 3.09Å
514	S	97.6	Very high	95.3	Very high	28 Å²	28	40.7 Å²	40.7	20%	0.196	21%	0.214	C	C	.	.	H	α-helix	trans	-66.8	-23.3	173.5	69.2	0	0	0	0	112.8	A510 G511 K512 T516 F517 F518	A510-S514 PolarHBondContact O-N 3.48Å; G511-S514 WeakPolarHBondContact CA-OG 3.12Å; G511-S514 PolarHBondContact O-OG 3.22Å; K512-S514 VanDerWaalsContact C-N 3.35Å; S514-T516 PolarHBondContact O-N 3.29Å; S514-F517 WeakPolarHBondContact O-CB 3.49Å; S514-F517 PolarHBondContact O-N 3.25Å; S514-F518 VanDerWaalsContact O-CD2 3.31Å; S514-F518 WeakPolarHBondContact O-CD2 3.48Å
515	T	97.6	Very high	95.1	Very high	12 Å²	12	37.5 Å²	37.5	7%	0.074	20%	0.202	C	C	.	.	H	α-helix	trans	-57.2	-34.3	173.5	67.5	0	0	0	0	112.4	G511 K512 Y513 F517 F518 V519 I554 S555 Y558	G511-T515 WeakPolarHBondContact O-CG2 3.31Å; K512-T515 WeakPolarHBondContact O-CB 3.45Å; K512-T515 PolarHBondContact O-N 3.3Å; K512-T515 PolarHBondContact O-OG1 3.49Å; Y513-T515 PolarHBondContact O-N 3.22Å; T515-F517 VanDerWaalsContact C-N 3.26Å; T515-F517 PolarHBondContact O-N 3.24Å; T515-F518 PolarHBondContact O-N 3.36Å; T515-V519 WeakPolarHBondContact O-CG2 3.39Å; T515-V519 PolarHBondContact O-N 3.34Å; T515-V519 VanDerWaalsContact O-N 3.13Å; T515-I554 HydrophobicContact CG2-CG2 4.43Å; T515-S555 WeakPolarHBondContact OG1-CB 3.43Å; T515-S555 PolarHBondContact OG1-OG 3.01Å; T515-Y558 HydrophobicContact CG2-CD1 4.35Å
516	T	96.6	Very high	94.8	Very high	36 Å²	36	35.8 Å²	35.8	22%	0.221	19%	0.19	C	C	.	.	H	α-helix	trans	-61.5	-34.6	176.3	-54.4	0	0	0	0	112	A486 Y513 S514 F518 V519 V520	A486-T516 HydrophobicContact CB-CG2 3.78Å; Y513-T516 WeakPolarHBondContact O-CB 3.48Å; Y513-T516 PolarHBondContact O-N 3.09Å; S514-T516 PolarHBondContact O-N 3.29Å; T516-F518 VanDerWaalsContact C-N 3.35Å; T516-F518 PolarHBondContact O-N 2.96Å; T516-V519 PolarHBondContact O-N 3.25Å; T516-V520 HydrophobicContact CG2-CG2 4.27Å; T516-V520 WeakPolarHBondContact O-CG2 3.39Å; T516-V520 PolarHBondContact O-N 2.87Å
517	F	97.4	Very high	94.1	Very high	38 Å²	38	38.2 Å²	38.2	17%	0.167	21%	0.206	C	C	.	.	H	α-helix	trans	-62.1	-44.9	178.9	-51.7	-25	0	0	0	110.8	I483 A486 L487 F490 S514 T515 V520 I521	I483-F517 HydrophobicContact CB-CD1 4.46Å; I483-F517 HydrophobicContact CG1-CD1 4.28Å; I483-F517 HydrophobicContact CG2-CD1 3.52Å; I483-F517 HydrophobicContact CG2-CE1 3.59Å; A486-F517 HydrophobicContact CB-CD1 4.46Å; A486-F517 HydrophobicContact CB-CE1 3.9Å; L487-F517 HydrophobicContact CB-CE1 4.22Å; L487-F517 HydrophobicContact CB-CZ 4.36Å; L487-F517 HydrophobicContact CD1-CZ 4.21Å; F490-F517 HydrophobicContact CB-CE2 4.48Å; F490-F517 HydrophobicContact CB-CZ 3.91Å; F490-F517 HydrophobicContact CD1-CE2 4.39Å; F490-F517 HydrophobicContact CD1-CZ 4.39Å; F490-F517 HydrophobicContact CD2-CE2 4.29Å; F490-F517 HydrophobicContact CG-CE2 4.14Å; F490-F517 HydrophobicContact CG-CZ 4.04Å; S514-F517 WeakPolarHBondContact O-CB 3.49Å; S514-F517 PolarHBondContact O-N 3.25Å; T515-F517 VanDerWaalsContact C-N 3.26Å; T515-F517 PolarHBondContact O-N 3.24Å; F517-V520 PolarHBondContact O-N 3.12Å; F517-I521 WeakPolarHBondContact O-CB 3.41Å; F517-I521 WeakPolarHBondContact O-CD1 3.35Å; F517-I521 WeakPolarHBondContact O-CG1 3.49Å; F517-I521 PolarHBondContact O-N 3.11Å
518	F	97	Very high	93.5	Very high	111 Å²	111	40.1 Å²	40.1	49%	0.487	22%	0.216	S	C	.	.	H	α-helix	trans	-66.1	-41.6	177.4	-64.7	-81	0	0	0	112.1	S514 T515 T516 V520 I521 F522 A551	S514-F518 VanDerWaalsContact O-CD2 3.31Å; S514-F518 WeakPolarHBondContact O-CD2 3.48Å; T515-F518 PolarHBondContact O-N 3.36Å; T516-F518 VanDerWaalsContact C-N 3.35Å; T516-F518 PolarHBondContact O-N 2.96Å; F518-V520 VanDerWaalsContact C-N 3.33Å; F518-V520 PolarHBondContact O-N 2.98Å; F518-I521 PolarHBondContact O-N 2.64Å; F518-F522 HydrophobicContact CB-CD2 4.19Å; F518-F522 HydrophobicContact CB-CE2 4Å; F518-F522 AromaticContact CD1-CE2 3.97Å; F518-F522 HydrophobicContact CD1-CE2 3.97Å; F518-F522 HydrophobicContact CD1-CZ 4.24Å; F518-F522 HydrophobicContact CG-CE2 4.47Å; F518-F522 WeakPolarHBondContact O-CB 3.48Å; F518-F522 WeakPolarHBondContact O-CD2 3.37Å; F518-F522 WeakPolarHBondContact O-CG 3.4Å; F518-F522 PolarHBondContact O-N 3.33Å; F518-A551 HydrophobicContact CB-CB 4.13Å
519	V	95.2	Very high	92.8	Very high	24 Å²	24	37.5 Å²	37.5	15%	0.145	21%	0.205	C	C	.	.	H	α-helix	trans	-58.8	-45.7	175.7	171.8	0	0	0	0	110.9	T515 T516 G523 W548 A551	T515-V519 WeakPolarHBondContact O-CG2 3.39Å; T515-V519 PolarHBondContact O-N 3.34Å; T515-V519 VanDerWaalsContact O-N 3.13Å; T516-V519 PolarHBondContact O-N 3.25Å; V519-G523 PolarHBondContact O-N 3.26Å; V519-W548 PolarHBondContact O-NE1 3.41Å; V519-A551 HydrophobicContact CG2-CB 4.05Å
520	V	93.1	Very high	91.8	Very high	25 Å²	25	39.3 Å²	39.3	15%	0.152	21%	0.213	C	C	.	.	H	α-helix	trans	-69.8	-48.8	179.2	175.2	0	0	0	0	111.2	P479 A482 I483 T516 F517 F518 F522 G523 T524	P479-V520 HydrophobicContact CB-CG1 3.9Å; A482-V520 HydrophobicContact CB-CG1 4.37Å; A482-V520 HydrophobicContact CB-CG2 4.27Å; I483-V520 HydrophobicContact CD1-CB 3.9Å; I483-V520 HydrophobicContact CD1-CG1 3.76Å; I483-V520 HydrophobicContact CG1-CB 3.76Å; I483-V520 HydrophobicContact CG1-CG1 3.79Å; I483-V520 HydrophobicContact CG1-CG2 3.91Å; T516-V520 HydrophobicContact CG2-CG2 4.27Å; T516-V520 WeakPolarHBondContact O-CG2 3.39Å; T516-V520 PolarHBondContact O-N 2.87Å; F517-V520 PolarHBondContact O-N 3.12Å; F518-V520 VanDerWaalsContact C-N 3.33Å; F518-V520 PolarHBondContact O-N 2.98Å; V520-F522 PolarHBondContact O-N 3.34Å; V520-G523 PolarHBondContact O-N 3.14Å; V520-T524 WeakPolarHBondContact O-CB 3.34Å; V520-T524 PolarHBondContact O-N 3.27Å; V520-T524 PolarHBondContact O-OG1 3.44Å
521	I	93.4	Very high	90.6	Very high	81 Å²	81	47.3 Å²	47.3	42%	0.415	25%	0.247	S	C	.	.	H	α-helix	trans	-56.8	-52.1	-179.3	-71.3	164.8	0	0	0	111	F517 F518 G523 T524 L525	F517-I521 WeakPolarHBondContact O-CB 3.41Å; F517-I521 WeakPolarHBondContact O-CD1 3.35Å; F517-I521 WeakPolarHBondContact O-CG1 3.49Å; F517-I521 PolarHBondContact O-N 3.11Å; F518-I521 PolarHBondContact O-N 2.64Å; I521-G523 PolarHBondContact O-N 2.92Å; I521-T524 PolarHBondContact O-N 3.29Å; I521-L525 HydrophobicContact CG2-CD1 3.97Å; I521-L525 WeakPolarHBondContact O-CG 3.48Å; I521-L525 PolarHBondContact O-N 2.84Å
522	F	93.3	Very high	89.5	Confident	44 Å²	44	51.9 Å²	51.9	19%	0.193	26%	0.262	C	S	.	.	H	α-helix	trans	-70	-33	-178.9	-62.2	-46	0	0	0	112.5	F518 V520 L525 N526 L547 W548 A551	F518-F522 HydrophobicContact CB-CD2 4.19Å; F518-F522 HydrophobicContact CB-CE2 4Å; F518-F522 AromaticContact CD1-CE2 3.97Å; F518-F522 HydrophobicContact CD1-CE2 3.97Å; F518-F522 HydrophobicContact CD1-CZ 4.24Å; F518-F522 HydrophobicContact CG-CE2 4.47Å; F518-F522 WeakPolarHBondContact O-CB 3.48Å; F518-F522 WeakPolarHBondContact O-CD2 3.37Å; F518-F522 WeakPolarHBondContact O-CG 3.4Å; F518-F522 PolarHBondContact O-N 3.33Å; V520-F522 PolarHBondContact O-N 3.34Å; F522-L525 HydrophobicContact CD1-CD1 4.23Å; F522-L525 PolarHBondContact O-N 3.25Å; F522-N526 VanDerWaalsContact O-CB 3.32Å; F522-N526 WeakPolarHBondContact O-CB 3.49Å; F522-N526 PolarHBondContact O-N 3.43Å; F522-L547 HydrophobicContact CB-CB 4.32Å; F522-L547 HydrophobicContact CD1-CB 3.9Å; F522-L547 HydrophobicContact CD1-CD1 4.16Å; F522-L547 HydrophobicContact CD2-CB 4.06Å; F522-L547 HydrophobicContact CE1-CB 4.2Å; F522-L547 HydrophobicContact CE1-CD1 3.95Å; F522-L547 HydrophobicContact CE2-CB 4.33Å; F522-L547 HydrophobicContact CG-CB 3.85Å; F522-L547 HydrophobicContact CZ-CB 4.4Å; F522-L547 HydrophobicContact CZ-CD1 4.5Å; F522-W548 HydrophobicContact CB-CB 3.82Å; F522-A551 HydrophobicContact CD2-CB 3.78Å; F522-A551 HydrophobicContact CE2-CB 4.29Å
523	G	89.5	Confident	88.3	Confident	13 Å²	13	55.3 Å²	55.3	13%	0.134	28%	0.275	C	S	.	.	H	α-helix	trans	-64.4	-40.4	173.1	0	0	0	0	0	112.6	V519 V520 I521 T527 W548	V519-G523 PolarHBondContact O-N 3.26Å; V520-G523 PolarHBondContact O-N 3.14Å; I521-G523 PolarHBondContact O-N 2.92Å; G523-T527 PolarHBondContact O-N 2.96Å; G523-T527 PolarHBondContact O-OG1 3.04Å; G523-W548 VanDerWaalsContact CA-CD1 3.43Å; G523-W548 VanDerWaalsContact N-CD1 3.32Å
524	T	88.2	Confident	86.7	Confident	29 Å²	29	59.9 Å²	59.9	18%	0.178	30%	0.301	C	S	.	.	H	α-helix	trans	-65.4	-48	174	-59.7	0	0	0	0	111.3	P479 V520 I521 N526 T527 L528	P479-T524 HydrophobicContact CB-CG2 4.34Å; P479-T524 WeakPolarHBondContact CB-OG1 3.29Å; P479-T524 HydrophobicContact CG-CG2 3.64Å; P479-T524 VanDerWaalsContact CG-OG1 3.24Å; P479-T524 WeakPolarHBondContact CG-OG1 3.42Å; V520-T524 WeakPolarHBondContact O-CB 3.34Å; V520-T524 PolarHBondContact O-N 3.27Å; V520-T524 PolarHBondContact O-OG1 3.44Å; I521-T524 PolarHBondContact O-N 3.29Å; T524-N526 VanDerWaalsContact C-N 3.31Å; T524-N526 PolarHBondContact O-N 2.98Å; T524-T527 PolarHBondContact O-N 2.88Å; T524-T527 VanDerWaalsContact O-N 3.08Å; T524-L528 HydrophobicContact CG2-CD1 3.97Å; T524-L528 HydrophobicContact CG2-CG 4.28Å; T524-L528 WeakPolarHBondContact O-CG 3.45Å; T524-L528 PolarHBondContact O-N 3.27Å
525	L	89.6	Confident	84.7	Confident	51 Å²	51	65.5 Å²	65.5	27%	0.267	33%	0.327	S	S	.	.	H	α-helix	trans	-60	-41.4	177.1	-70.9	171.1	0	0	0	112	I521 F522 T527 L528 H529 F544	I521-L525 HydrophobicContact CG2-CD1 3.97Å; I521-L525 WeakPolarHBondContact O-CG 3.48Å; I521-L525 PolarHBondContact O-N 2.84Å; F522-L525 HydrophobicContact CD1-CD1 4.23Å; F522-L525 PolarHBondContact O-N 3.25Å; L525-T527 VanDerWaalsContact C-N 3.31Å; L525-T527 PolarHBondContact O-N 2.72Å; L525-L528 PolarHBondContact O-N 3.32Å; L525-H529 WeakPolarHBondContact O-CB 3.24Å; L525-H529 PolarHBondContact O-CD2 3.42Å; L525-H529 PolarHBondContact O-N 3.22Å; L525-F544 HydrophobicContact CB-CB 4.13Å; L525-F544 HydrophobicContact CB-CD1 3.7Å; L525-F544 HydrophobicContact CB-CD2 4.46Å; L525-F544 HydrophobicContact CB-CE1 4.21Å; L525-F544 HydrophobicContact CB-CG 3.85Å; L525-F544 HydrophobicContact CD1-CD1 3.93Å; L525-F544 HydrophobicContact CD1-CE1 3.95Å; L525-F544 HydrophobicContact CG-CD1 4.38Å
526	N	86	Confident	82.7	Confident	10 Å²	10	67.6 Å²	67.6	5%	0.053	34%	0.343	C	S	.	.	H	α-helix	trans	-58.2	-44.1	173.4	-179	52.9	0	0	0	111.4	F522 T524 K530 F544 F545	F522-N526 VanDerWaalsContact O-CB 3.32Å; F522-N526 WeakPolarHBondContact O-CB 3.49Å; F522-N526 PolarHBondContact O-N 3.43Å; T524-N526 VanDerWaalsContact C-N 3.31Å; T524-N526 PolarHBondContact O-N 2.98Å; N526-K530 WeakPolarHBondContact O-CA 3.26Å; N526-K530 WeakPolarHBondContact O-CB 3.48Å; N526-K530 PolarHBondContact O-N 3.28Å; N526-F544 HydrophobicContact CB-CB 4.16Å; N526-F545 WeakPolarHBondContact OD1-CB 3.38Å
527	T	80.9	Confident	80.6	Confident	68 Å²	68	76.1 Å²	76.1	42%	0.417	38%	0.377	S	S	.	.	H	α-helix	trans	-67.1	-42.8	179.4	-54.4	0	0	0	0	112.3	N473 G523 T524 L525 K530	N473-T527 WeakPolarHBondContact ND2-CG2 3.5Å; G523-T527 PolarHBondContact O-N 2.96Å; G523-T527 PolarHBondContact O-OG1 3.04Å; T524-T527 PolarHBondContact O-N 2.88Å; T524-T527 VanDerWaalsContact O-N 3.08Å; L525-T527 VanDerWaalsContact C-N 3.31Å; L525-T527 PolarHBondContact O-N 2.72Å; T527-K530 WeakPolarHBondContact O-CB 3.39Å; T527-K530 PolarHBondContact O-N 3.17Å
528	L	83.1	Confident	78.4	Confident	101 Å²	101	80.9 Å²	80.9	53%	0.529	40%	0.4	S	S	.	.	H	α-helix	trans	-65.7	-42.2	-179.9	-69.1	175.1	0	0	0	112.1	T524 L525	T524-L528 HydrophobicContact CG2-CD1 3.97Å; T524-L528 HydrophobicContact CG2-CG 4.28Å; T524-L528 WeakPolarHBondContact O-CG 3.45Å; T524-L528 PolarHBondContact O-N 3.27Å; L525-L528 PolarHBondContact O-N 3.32Å
529	H	83.2	Confident	76.4	Confident	56 Å²	56	87.9 Å²	87.9	26%	0.259	42%	0.423	S	S	.	.	H	α-helix	trans	-90.1	3.4	-179.7	-69.5	-81.7	0	0	0	113.8	L525 K531 E532 Y533 F544	L525-H529 WeakPolarHBondContact O-CB 3.24Å; L525-H529 PolarHBondContact O-CD2 3.42Å; L525-H529 PolarHBondContact O-N 3.22Å; H529-K531 VanDerWaalsContact C-N 3.3Å; H529-K531 PolarHBondContact O-N 2.82Å; H529-E532 IonicContact CE1-OE2 3.78Å; H529-E532 IonicContact CG-OE2 2.98Å; H529-E532 IonicContact ND1-OE2 2.71Å; H529-E532 PolarHBondContact ND1-OE2 2.95Å; H529-E532 PolarHBondContact O-N 3.48Å; H529-Y533 HydrophobicContact CB-CD2 3.82Å; H529-Y533 HydrophobicContact CB-CE2 3.89Å; H529-Y533 WeakPolarHBondContact O-CD2 3.23Å; H529-Y533 PolarHBondContact O-N 2.63Å; H529-Y533 VanDerWaalsContact O-N 3.13Å; H529-F544 HydrophobicContact CB-CD2 3.91Å; H529-F544 HydrophobicContact CB-CE2 4.08Å; H529-F544 AromaticContact CD2-CD2 3.76Å; H529-F544 AromaticContact CD2-CE2 3.36Å; H529-F544 WeakPolarHBondContact CD2-CE2 3.1Å; H529-F544 AromaticContact CG-CD2 3.95Å; H529-F544 AromaticContact CG-CE2 3.65Å; H529-F544 AromaticContact NE2-CE2 3.83Å
530	K	76.4	Confident	74.4	Confident	52 Å²	52	93 Å²	93	23%	0.226	45%	0.447	C	S	.	.	H	α-helix	trans	-55.7	-42.4	-177.5	-170.6	164.9	-179.6	167.8	0	112.5	N526 T527 N534 D615	N526-K530 WeakPolarHBondContact O-CA 3.26Å; N526-K530 WeakPolarHBondContact O-CB 3.48Å; N526-K530 PolarHBondContact O-N 3.28Å; T527-K530 WeakPolarHBondContact O-CB 3.39Å; T527-K530 PolarHBondContact O-N 3.17Å; K530-N534 WeakPolarHBondContact CG-ND2 3.44Å; K530-N534 WeakPolarHBondContact O-CB 3.28Å; K530-N534 PolarHBondContact O-N 3.01Å; K530-N534 PolarHBondContact O-ND2 3.46Å; K530-D615 IonicContact NZ-OD1 3.01Å; K530-D615 PolarHBondContact NZ-OD1 3.41Å
531	K	71.7	Confident	73.2	Confident	172 Å²	172	93 Å²	93	75%	0.748	45%	0.452	S	S	*	.	H	α-helix	trans	-66.5	-45.2	179.6	-70.6	-174.1	179.3	-179.3	0	112	H529 L535	H529-K531 VanDerWaalsContact C-N 3.3Å; H529-K531 PolarHBondContact O-N 2.82Å; K531-L535 WeakPolarHBondContact O-CD1 3.46Å; K531-L535 WeakPolarHBondContact O-CG 3.35Å; K531-L535 PolarHBondContact O-N 3.25Å
532	E	74.8	Confident	72.6	Confident	119 Å²	119	89.6 Å²	89.6	56%	0.556	44%	0.435	S	S	*	.	H	α-helix	trans	-62	-46.1	-177.7	-171.6	-179.4	-175.7	0	0	111.9	H529	H529-E532 IonicContact CE1-OE2 3.78Å; H529-E532 IonicContact CG-OE2 2.98Å; H529-E532 IonicContact ND1-OE2 2.71Å; H529-E532 PolarHBondContact ND1-OE2 2.95Å; H529-E532 PolarHBondContact O-N 3.48Å
533	Y	71.7	Confident	72.4	Confident	78 Å²	78	90.3 Å²	90.3	31%	0.306	44%	0.444	S	S	.	.	H	α-helix	trans	-81.4	-31.3	-179.1	-73.7	-85.5	0	0	0	113.7	H529 L535 S536 S542 P543 F544	H529-Y533 HydrophobicContact CB-CD2 3.82Å; H529-Y533 HydrophobicContact CB-CE2 3.89Å; H529-Y533 WeakPolarHBondContact O-CD2 3.23Å; H529-Y533 PolarHBondContact O-N 2.63Å; H529-Y533 VanDerWaalsContact O-N 3.13Å; Y533-L535 VanDerWaalsContact C-N 3.29Å; Y533-L535 PolarHBondContact O-N 2.99Å; Y533-S536 WeakPolarHBondContact O-CB 3.47Å; Y533-S536 PolarHBondContact O-N 3.45Å; Y533-S536 VanDerWaalsContact O-N 3.17Å; Y533-S536 PolarHBondContact O-OG 2.94Å; Y533-S542 VanDerWaalsContact CD2-OG 3.3Å; Y533-S542 WeakPolarHBondContact CD2-OG 3.28Å; Y533-P543 HydrophobicContact CE1-CG 4.23Å; Y533-F544 HydrophobicContact CE2-CD2 4.31Å; Y533-F544 HydrophobicContact CE2-CE2 4.2Å
534	N	64.5	Low	72.4	Confident	110 Å²	110	91.9 Å²	91.9	59%	0.588	45%	0.447	S	S	*	.	H	α-helix	trans	-68	-27.9	174.9	-79.2	-17.7	0	0	0	113	K530 S536	K530-N534 WeakPolarHBondContact CG-ND2 3.44Å; K530-N534 WeakPolarHBondContact O-CB 3.28Å; K530-N534 PolarHBondContact O-N 3.01Å; K530-N534 PolarHBondContact O-ND2 3.46Å; N534-S536 VanDerWaalsContact C-N 3.28Å
535	L	55.3	Low	72.5	Confident	145 Å²	145	93.1 Å²	93.1	76%	0.759	45%	0.45	S	S	*	.	H	α-helix	trans	-69.1	-28.5	173.1	-80.6	159.8	0	0	0	111.9	K531 Y533 K537	K531-L535 WeakPolarHBondContact O-CD1 3.46Å; K531-L535 WeakPolarHBondContact O-CG 3.35Å; K531-L535 PolarHBondContact O-N 3.25Å; Y533-L535 VanDerWaalsContact C-N 3.29Å; Y533-L535 PolarHBondContact O-N 2.99Å; L535-K537 PolarHBondContact O-N 2.7Å
536	S	55.5	Low	72.5	Confident	57 Å²	57	96.1 Å²	96.1	40%	0.399	46%	0.459	S	S	.	.	S	Bend	trans	-68.8	106.1	170	84.6	0	0	0	0	108.5	Y533 N534 Q538	Y533-S536 WeakPolarHBondContact O-CB 3.47Å; Y533-S536 PolarHBondContact O-N 3.45Å; Y533-S536 VanDerWaalsContact O-N 3.17Å; Y533-S536 PolarHBondContact O-OG 2.94Å; N534-S536 VanDerWaalsContact C-N 3.28Å; S536-Q538 PolarHBondContact O-N 2.83Å
537	K	52.3	Low	72.9	Confident	214 Å²	214	98.9 Å²	98.9	93%	0.93	47%	0.474	S	S	*	.			trans	-55.9	-4.5	-178.8	-103	179.8	178.6	175.8	0	115	L535	L535-K537 PolarHBondContact O-N 2.7Å
538	Q	51.6	Low	73.5	Confident	139 Å²	139	97.6 Å²	97.6	65%	0.65	46%	0.461	S	S	*	.	S	Bend	trans	-86.5	115.1	176.4	-68.4	-165.9	-10.7	0	0	109.4	S536 M540	S536-Q538 PolarHBondContact O-N 2.83Å; Q538-M540 PolarHBondContact O-N 3.32Å
539	R	54.6	Low	73.9	Confident	258 Å²	258	94.7 Å²	94.7	97%	0.974	45%	0.448	S	S	*	.			trans	-49.5	7.3	176.4	-96.8	178.8	177.4	162.1	-1.4	117.3	G541	R539-G541 PolarHBondContact O-N 3.13Å
540	M	52.9	Low	74.5	Confident	131 Å²	131	96.7 Å²	96.7	65%	0.645	46%	0.459	S	S	*	.	P	Polyproline II helix	trans	-72.2	121.2	170.4	-88.7	-179.4	-91.7	0	0	108.5	Q538	Q538-M540 PolarHBondContact O-N 3.32Å
541	G	68	Low	75.4	Confident	26 Å²	26	94.6 Å²	94.6	27%	0.268	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-56.1	152.7	172.6	0	0	0	0	0	110.2	R539 Y546	R539-G541 PolarHBondContact O-N 3.13Å; G541-Y546 PolarHBondContact N-OH 3.13Å; G541-Y546 WeakPolarHBondContact O-CE2 3.49Å
542	S	81.7	Confident	76.6	Confident	8 Å²	8	87 Å²	87	6%	0.056	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-51.4	142	173.9	179.2	0	0	0	0	110.1	Y533 F544 F545 Y546	Y533-S542 VanDerWaalsContact CD2-OG 3.3Å; Y533-S542 WeakPolarHBondContact CD2-OG 3.28Å; S542-F544 PolarHBondContact O-N 2.95Å; S542-F544 WeakPolarHBondContact OG-CD2 3.23Å; S542-F544 PolarHBondContact OG-N 3.33Å; S542-F545 WeakPolarHBondContact O-CA 3.35Å; S542-F545 VanDerWaalsContact O-CB 3.24Å; S542-F545 WeakPolarHBondContact O-CB 3.49Å; S542-F545 PolarHBondContact O-N 3.43Å; S542-Y546 WeakPolarHBondContact O-CD2 3.32Å; S542-Y546 PolarHBondContact O-N 3.3Å
543	P	89.3	Confident	77.6	Confident	60 Å²	60	84 Å²	84	39%	0.39	41%	0.411	S	S	.	.	H	α-helix	trans	-50.8	-32.8	170.9	20.5	-32.9	0	0	0	112.1	Y533 Y546 L547	Y533-P543 HydrophobicContact CE1-CG 4.23Å; P543-Y546 PolarHBondContact O-N 3.02Å; P543-L547 WeakPolarHBondContact O-CG 3.5Å; P543-L547 PolarHBondContact O-N 3.14Å
544	F	90	Very high	78.8	Confident	45 Å²	45	85 Å²	85	20%	0.197	42%	0.42	C	S	.	.	H	α-helix	trans	-67.8	-33.6	175.5	-56.3	-61.4	0	0	0	113.4	L525 N526 H529 Y533 S542 L547 W548	L525-F544 HydrophobicContact CB-CB 4.13Å; L525-F544 HydrophobicContact CB-CD1 3.7Å; L525-F544 HydrophobicContact CB-CD2 4.46Å; L525-F544 HydrophobicContact CB-CE1 4.21Å; L525-F544 HydrophobicContact CB-CG 3.85Å; L525-F544 HydrophobicContact CD1-CD1 3.93Å; L525-F544 HydrophobicContact CD1-CE1 3.95Å; L525-F544 HydrophobicContact CG-CD1 4.38Å; N526-F544 HydrophobicContact CB-CB 4.16Å; H529-F544 HydrophobicContact CB-CD2 3.91Å; H529-F544 HydrophobicContact CB-CE2 4.08Å; H529-F544 AromaticContact CD2-CD2 3.76Å; H529-F544 AromaticContact CD2-CE2 3.36Å; H529-F544 WeakPolarHBondContact CD2-CE2 3.1Å; H529-F544 AromaticContact CG-CD2 3.95Å; H529-F544 AromaticContact CG-CE2 3.65Å; H529-F544 AromaticContact NE2-CE2 3.83Å; Y533-F544 HydrophobicContact CE2-CD2 4.31Å; Y533-F544 HydrophobicContact CE2-CE2 4.2Å; S542-F544 PolarHBondContact O-N 2.95Å; S542-F544 WeakPolarHBondContact OG-CD2 3.23Å; S542-F544 PolarHBondContact OG-N 3.33Å; F544-L547 HydrophobicContact CD1-CD1 4.47Å; F544-W548 VanDerWaalsContact O-CB 3.24Å; F544-W548 WeakPolarHBondContact O-CB 3.47Å; F544-W548 PolarHBondContact O-N 2.9Å
545	F	88.5	Confident	80.3	Confident	55 Å²	55	80.5 Å²	80.5	24%	0.241	40%	0.398	C	S	.	.	H	α-helix	trans	-61	-48.1	172.5	177.7	-102.2	0	0	0	110.7	N526 S542 W548 V549 V611 D615	N526-F545 WeakPolarHBondContact OD1-CB 3.38Å; S542-F545 WeakPolarHBondContact O-CA 3.35Å; S542-F545 VanDerWaalsContact O-CB 3.24Å; S542-F545 WeakPolarHBondContact O-CB 3.49Å; S542-F545 PolarHBondContact O-N 3.43Å; F545-W548 HydrophobicContact CD2-CE3 4.2Å; F545-W548 HydrophobicContact CD2-CZ3 4.46Å; F545-W548 HydrophobicContact CE2-CE3 4.42Å; F545-W548 HydrophobicContact CE2-CZ3 4.37Å; F545-W548 WeakPolarHBondContact O-CB 3.34Å; F545-W548 PolarHBondContact O-N 3.18Å; F545-V549 HydrophobicContact CD1-CG2 4.49Å; F545-V549 HydrophobicContact CE1-CG2 4.11Å; F545-V549 HydrophobicContact CE2-CG2 4.33Å; F545-V549 HydrophobicContact CZ-CG2 4.02Å; F545-V549 WeakPolarHBondContact O-CG2 3.48Å; F545-V549 PolarHBondContact O-N 3.4Å; F545-V611 HydrophobicContact CE2-CG1 4.07Å; F545-V611 HydrophobicContact CZ-CG1 4.19Å; F545-D615 WeakPolarHBondContact CE2-OD2 3.47Å
546	Y	90.6	Very high	82.3	Confident	114 Å²	114	74.8 Å²	74.8	45%	0.447	37%	0.367	S	S	.	.	H	α-helix	trans	-64.9	-43.5	178.6	-63.8	-64.4	0	0	0	112.3	G541 S542 P543 W548 V549 I550	G541-Y546 PolarHBondContact N-OH 3.13Å; G541-Y546 WeakPolarHBondContact O-CE2 3.49Å; S542-Y546 WeakPolarHBondContact O-CD2 3.32Å; S542-Y546 PolarHBondContact O-N 3.3Å; P543-Y546 PolarHBondContact O-N 3.02Å; Y546-W548 VanDerWaalsContact C-N 3.29Å; Y546-W548 PolarHBondContact O-N 3.42Å; Y546-V549 PolarHBondContact O-N 3Å; Y546-I550 WeakPolarHBondContact O-CB 3.37Å; Y546-I550 VanDerWaalsContact O-CG1 3.27Å; Y546-I550 WeakPolarHBondContact O-CG1 3.31Å; Y546-I550 PolarHBondContact O-N 3.08Å
547	L	94.4	Very high	84.3	Confident	69 Å²	69	75.6 Å²	75.6	36%	0.361	37%	0.371	S	S	.	.	H	α-helix	trans	-60.3	-39.9	175	-72.7	172.2	0	0	0	111.9	F522 P543 F544 I550 A551	F522-L547 HydrophobicContact CB-CB 4.32Å; F522-L547 HydrophobicContact CD1-CB 3.9Å; F522-L547 HydrophobicContact CD1-CD1 4.16Å; F522-L547 HydrophobicContact CD2-CB 4.06Å; F522-L547 HydrophobicContact CE1-CB 4.2Å; F522-L547 HydrophobicContact CE1-CD1 3.95Å; F522-L547 HydrophobicContact CE2-CB 4.33Å; F522-L547 HydrophobicContact CG-CB 3.85Å; F522-L547 HydrophobicContact CZ-CB 4.4Å; F522-L547 HydrophobicContact CZ-CD1 4.5Å; P543-L547 WeakPolarHBondContact O-CG 3.5Å; P543-L547 PolarHBondContact O-N 3.14Å; F544-L547 HydrophobicContact CD1-CD1 4.47Å; L547-I550 PolarHBondContact O-N 3.47Å; L547-A551 WeakPolarHBondContact O-CB 3.49Å; L547-A551 PolarHBondContact O-N 2.86Å
548	W	92.6	Very high	86.5	Confident	40 Å²	40	68.9 Å²	68.9	15%	0.152	34%	0.341	C	S	.	.	H	α-helix	trans	-64.5	-45.7	176.4	179.1	51.5	0	0	0	112.2	V519 F522 G523 F544 F545 Y546 A551 N552 V611	V519-W548 PolarHBondContact O-NE1 3.41Å; F522-W548 HydrophobicContact CB-CB 3.82Å; G523-W548 VanDerWaalsContact CA-CD1 3.43Å; G523-W548 VanDerWaalsContact N-CD1 3.32Å; F544-W548 VanDerWaalsContact O-CB 3.24Å; F544-W548 WeakPolarHBondContact O-CB 3.47Å; F544-W548 PolarHBondContact O-N 2.9Å; F545-W548 HydrophobicContact CD2-CE3 4.2Å; F545-W548 HydrophobicContact CD2-CZ3 4.46Å; F545-W548 HydrophobicContact CE2-CE3 4.42Å; F545-W548 HydrophobicContact CE2-CZ3 4.37Å; F545-W548 WeakPolarHBondContact O-CB 3.34Å; F545-W548 PolarHBondContact O-N 3.18Å; Y546-W548 VanDerWaalsContact C-N 3.29Å; Y546-W548 PolarHBondContact O-N 3.42Å; W548-A551 PolarHBondContact O-N 3.33Å; W548-N552 PolarHBondContact NE1-ND2 3.15Å; W548-N552 PolarHBondContact O-N 3.03Å; W548-N552 PolarHBondContact O-ND2 3.36Å; W548-V611 HydrophobicContact CE3-CG2 4.37Å; W548-V611 HydrophobicContact CH2-CB 4.32Å; W548-V611 HydrophobicContact CH2-CG2 3.49Å; W548-V611 VanDerWaalsContact CH2-CG2 3.49Å; W548-V611 HydrophobicContact CZ2-CG2 4.01Å; W548-V611 HydrophobicContact CZ3-CB 4.35Å; W548-V611 HydrophobicContact CZ3-CG1 4.23Å; W548-V611 HydrophobicContact CZ3-CG2 3.7Å
549	V	92.5	Very high	88.6	Confident	41 Å²	41	63 Å²	63	25%	0.248	31%	0.314	C	S	.	.	H	α-helix	trans	-61.3	-45.9	175.6	172.9	0	0	0	0	111	F545 Y546 A551 N552 C553	F545-V549 HydrophobicContact CD1-CG2 4.49Å; F545-V549 HydrophobicContact CE1-CG2 4.11Å; F545-V549 HydrophobicContact CE2-CG2 4.33Å; F545-V549 HydrophobicContact CZ-CG2 4.02Å; F545-V549 WeakPolarHBondContact O-CG2 3.48Å; F545-V549 PolarHBondContact O-N 3.4Å; Y546-V549 PolarHBondContact O-N 3Å; V549-A551 VanDerWaalsContact C-N 3.35Å; V549-A551 PolarHBondContact O-N 3.48Å; V549-N552 PolarHBondContact O-N 3.42Å; V549-C553 PolarHBondContact O-N 2.98Å; V549-C553 PolarHBondContact O-SG 3.24Å; V549-C553 VanDerWaalsContact O-SG 3.35Å
550	I	95.3	Very high	90.7	Very high	97 Å²	97	53 Å²	53	50%	0.497	28%	0.277	S	S	.	.	H	α-helix	trans	-59.7	-45.3	177.1	-69.4	165.8	0	0	0	111	Y546 L547 N552 C553 I554	Y546-I550 WeakPolarHBondContact O-CB 3.37Å; Y546-I550 VanDerWaalsContact O-CG1 3.27Å; Y546-I550 WeakPolarHBondContact O-CG1 3.31Å; Y546-I550 PolarHBondContact O-N 3.08Å; L547-I550 PolarHBondContact O-N 3.47Å; I550-N552 VanDerWaalsContact C-N 3.34Å; I550-N552 PolarHBondContact O-N 3.49Å; I550-C553 PolarHBondContact O-N 3.28Å; I550-I554 HydrophobicContact CG2-CD1 3.89Å; I550-I554 WeakPolarHBondContact O-CG1 3.4Å; I550-I554 PolarHBondContact O-N 3.46Å
551	A	96.6	Very high	92.8	Very high	9 Å²	9	48.9 Å²	48.9	7%	0.074	26%	0.261	C	S	.	.	H	α-helix	trans	-62.1	-39.8	177.5	0	0	0	0	0	112.3	F518 V519 F522 L547 W548 V549 I554 S555	F518-A551 HydrophobicContact CB-CB 4.13Å; V519-A551 HydrophobicContact CG2-CB 4.05Å; F522-A551 HydrophobicContact CD2-CB 3.78Å; F522-A551 HydrophobicContact CE2-CB 4.29Å; L547-A551 WeakPolarHBondContact O-CB 3.49Å; L547-A551 PolarHBondContact O-N 2.86Å; W548-A551 PolarHBondContact O-N 3.33Å; V549-A551 VanDerWaalsContact C-N 3.35Å; V549-A551 PolarHBondContact O-N 3.48Å; A551-I554 PolarHBondContact O-N 3.49Å; A551-S555 WeakPolarHBondContact O-CB 3.5Å; A551-S555 PolarHBondContact O-N 3.39Å
552	N	95.3	Very high	94.2	Very high	12 Å²	12	48.4 Å²	48.4	6%	0.064	25%	0.251	C	S	.	.	H	α-helix	trans	-63.6	-44.3	173.7	-82.6	-81.5	0	0	0	111.8	W548 V549 I550 I554 S555 F556 W607	W548-N552 PolarHBondContact NE1-ND2 3.15Å; W548-N552 PolarHBondContact O-N 3.03Å; W548-N552 PolarHBondContact O-ND2 3.36Å; V549-N552 PolarHBondContact O-N 3.42Å; I550-N552 VanDerWaalsContact C-N 3.34Å; I550-N552 PolarHBondContact O-N 3.49Å; N552-I554 VanDerWaalsContact C-N 3.34Å; N552-I554 PolarHBondContact O-N 2.96Å; N552-S555 PolarHBondContact O-N 2.83Å; N552-F556 VanDerWaalsContact O-CB 3.23Å; N552-F556 WeakPolarHBondContact O-CB 3.48Å; N552-F556 PolarHBondContact O-N 3.36Å; N552-W607 HydrophobicContact CB-CD2 3.78Å; N552-W607 HydrophobicContact CB-CE3 3.63Å; N552-W607 HydrophobicContact CB-CH2 3.87Å; N552-W607 HydrophobicContact CB-CZ2 4.01Å; N552-W607 HydrophobicContact CB-CZ3 3.68Å
553	C	96.3	Very high	94.9	Very high	57 Å²	57	48 Å²	48	39%	0.385	25%	0.249	S	C	.	.	H	α-helix	trans	-59.7	-43.9	176.2	-69.3	0	0	0	0	112	V549 I550 C557	V549-C553 PolarHBondContact O-N 2.98Å; V549-C553 PolarHBondContact O-SG 3.24Å; V549-C553 VanDerWaalsContact O-SG 3.35Å; I550-C553 PolarHBondContact O-N 3.28Å; C553-C557 WeakPolarHBondContact O-CB 3.33Å; C553-C557 PolarHBondContact O-N 3.03Å; C553-C557 PolarHBondContact O-SG 2.72Å; C553-C557 VanDerWaalsContact O-SG 3.32Å
554	I	97.4	Very high	95.2	Very high	97 Å²	97	45.5 Å²	45.5	50%	0.497	23%	0.232	S	C	.	.	H	α-helix	trans	-63.8	-49.1	176.5	-68.1	169.1	0	0	0	110.6	T515 I550 A551 N552 F556 C557 Y558	T515-I554 HydrophobicContact CG2-CG2 4.43Å; I550-I554 HydrophobicContact CG2-CD1 3.89Å; I550-I554 WeakPolarHBondContact O-CG1 3.4Å; I550-I554 PolarHBondContact O-N 3.46Å; A551-I554 PolarHBondContact O-N 3.49Å; N552-I554 VanDerWaalsContact C-N 3.34Å; N552-I554 PolarHBondContact O-N 2.96Å; I554-F556 VanDerWaalsContact C-N 3.33Å; I554-F556 PolarHBondContact O-N 3.18Å; I554-C557 PolarHBondContact O-N 3.34Å; I554-Y558 WeakPolarHBondContact O-CB 3.3Å; I554-Y558 PolarHBondContact O-N 3.35Å
555	S	96.6	Very high	95.4	Very high	17 Å²	17	49.9 Å²	49.9	12%	0.119	25%	0.247	C	C	.	.	H	α-helix	trans	-59	-45	179.3	-172	0	0	0	0	111.5	T515 A551 N552 Y558 T559	T515-S555 WeakPolarHBondContact OG1-CB 3.43Å; T515-S555 PolarHBondContact OG1-OG 3.01Å; A551-S555 WeakPolarHBondContact O-CB 3.5Å; A551-S555 PolarHBondContact O-N 3.39Å; N552-S555 PolarHBondContact O-N 2.83Å; S555-Y558 PolarHBondContact O-N 2.97Å; S555-T559 WeakPolarHBondContact O-CB 3.39Å; S555-T559 VanDerWaalsContact O-CG2 3.27Å; S555-T559 WeakPolarHBondContact O-CG2 3.42Å; S555-T559 PolarHBondContact O-N 2.95Å; S555-T559 PolarHBondContact O-OG1 3.32Å
556	F	97	Very high	95.6	Very high	25 Å²	25	50.3 Å²	50.3	11%	0.11	25%	0.25	C	S	.	.	H	α-helix	trans	-58	-56.1	175.6	170.1	-100.6	0	0	0	111.8	N552 I554 Y558 T559 Y560 F601 R604 I605	N552-F556 VanDerWaalsContact O-CB 3.23Å; N552-F556 WeakPolarHBondContact O-CB 3.48Å; N552-F556 PolarHBondContact O-N 3.36Å; I554-F556 VanDerWaalsContact C-N 3.33Å; I554-F556 PolarHBondContact O-N 3.18Å; F556-Y558 VanDerWaalsContact C-N 3.27Å; F556-Y558 PolarHBondContact O-N 3.42Å; F556-T559 PolarHBondContact O-N 3Å; F556-T559 PolarHBondContact O-OG1 2.93Å; F556-Y560 WeakPolarHBondContact O-CB 3.45Å; F556-Y560 PolarHBondContact O-N 3.43Å; F556-F601 HydrophobicContact CE1-CE2 4.06Å; F556-F601 AromaticContact CZ-CD2 3.74Å; F556-F601 HydrophobicContact CZ-CD2 3.74Å; F556-F601 AromaticContact CZ-CE2 3.52Å; F556-F601 HydrophobicContact CZ-CE2 3.52Å; F556-F601 HydrophobicContact CZ-CG 4.46Å; F556-F601 HydrophobicContact CZ-CZ 4.05Å; F556-R604 HydrophobicContact CD2-CB 3.89Å; F556-R604 HydrophobicContact CE2-CB 3.73Å; F556-I605 HydrophobicContact CD2-CB 4.27Å; F556-I605 HydrophobicContact CE2-CB 3.83Å; F556-I605 HydrophobicContact CE2-CG1 4.45Å; F556-I605 HydrophobicContact CZ-CB 4.39Å; F556-I605 HydrophobicContact CZ-CD1 4.49Å
557	C	97.6	Very high	95.8	Very high	73 Å²	73	45.1 Å²	45.1	49%	0.493	23%	0.23	S	C	.	.	H	α-helix	trans	-58.2	-40.8	-178.4	-74.4	0	0	0	0	112	C553 I554 S561	C553-C557 WeakPolarHBondContact O-CB 3.33Å; C553-C557 PolarHBondContact O-N 3.03Å; C553-C557 PolarHBondContact O-SG 2.72Å; C553-C557 VanDerWaalsContact O-SG 3.32Å; I554-C557 PolarHBondContact O-N 3.34Å; C557-S561 WeakPolarHBondContact O-CB 3.43Å; C557-S561 PolarHBondContact O-N 2.93Å; C557-S561 PolarHBondContact O-OG 3.05Å
558	Y	97.7	Very high	95.8	Very high	74 Å²	74	42 Å²	42	29%	0.29	21%	0.214	S	C	.	.	H	α-helix	trans	-68.2	-55.7	178.7	-157.2	130.3	0	0	0	111.1	F508 K512 T515 I554 S555 F556 S561 W562	F508-Y558 PolarHBondContact O-OH 3.14Å; K512-Y558 HydrophobicContact CB-CD2 3.83Å; K512-Y558 HydrophobicContact CB-CE2 3.61Å; K512-Y558 HydrophobicContact CG-CD2 3.84Å; K512-Y558 HydrophobicContact CG-CE2 4.12Å; T515-Y558 HydrophobicContact CG2-CD1 4.35Å; I554-Y558 WeakPolarHBondContact O-CB 3.3Å; I554-Y558 PolarHBondContact O-N 3.35Å; S555-Y558 PolarHBondContact O-N 2.97Å; F556-Y558 VanDerWaalsContact C-N 3.27Å; F556-Y558 PolarHBondContact O-N 3.42Å; Y558-S561 PolarHBondContact O-N 3.27Å; Y558-W562 AromaticContact CE2-CE3 3.83Å; Y558-W562 HydrophobicContact CE2-CE3 3.83Å; Y558-W562 HydrophobicContact CE2-CZ3 4.34Å; Y558-W562 WeakPolarHBondContact O-CB 3.39Å; Y558-W562 PolarHBondContact O-N 2.84Å
559	T	96.4	Very high	95.7	Very high	15 Å²	15	40.3 Å²	40.3	9%	0.092	21%	0.209	C	C	.	.	H	α-helix	trans	-67.3	-40.6	-173	55.7	0	0	0	0	112.2	K512 S555 F556 W562 D563	K512-T559 HydrophobicContact CD-CG2 4.21Å; K512-T559 HydrophobicContact CG-CG2 3.72Å; S555-T559 WeakPolarHBondContact O-CB 3.39Å; S555-T559 VanDerWaalsContact O-CG2 3.27Å; S555-T559 WeakPolarHBondContact O-CG2 3.42Å; S555-T559 PolarHBondContact O-N 2.95Å; S555-T559 PolarHBondContact O-OG1 3.32Å; F556-T559 PolarHBondContact O-N 3Å; F556-T559 PolarHBondContact O-OG1 2.93Å; T559-W562 WeakPolarHBondContact O-CB 3.43Å; T559-W562 PolarHBondContact O-N 2.82Å; T559-D563 PolarHBondContact O-N 2.72Å
560	Y	97.6	Very high	95.6	Very high	49 Å²	49	38.6 Å²	38.6	19%	0.192	20%	0.198	C	C	.	.	H	α-helix	trans	-62.5	-47.9	173.4	176.4	-109	0	0	0	111.6	F556 W562 D563 I564 M597 D600 F601	F556-Y560 WeakPolarHBondContact O-CB 3.45Å; F556-Y560 PolarHBondContact O-N 3.43Å; Y560-W562 PolarHBondContact O-N 3.06Å; Y560-D563 PolarHBondContact O-N 3.17Å; Y560-I564 HydrophobicContact CD2-CG1 4.2Å; Y560-I564 HydrophobicContact CE1-CG1 4.26Å; Y560-I564 HydrophobicContact CE2-CD1 3.97Å; Y560-I564 HydrophobicContact CE2-CG1 3.72Å; Y560-I564 WeakPolarHBondContact O-CG1 3.47Å; Y560-I564 PolarHBondContact O-N 3.03Å; Y560-I564 VanDerWaalsContact O-N 3.13Å; Y560-M597 PolarHBondContact OH-O 3.43Å; Y560-D600 WeakPolarHBondContact CD2-OD2 3.42Å; Y560-F601 HydrophobicContact CD1-CD2 4.35Å; Y560-F601 HydrophobicContact CD2-CB 4.34Å; Y560-F601 AromaticContact CE1-CD2 3.97Å; Y560-F601 HydrophobicContact CE1-CD2 3.97Å; Y560-F601 HydrophobicContact CE2-CB 3.65Å; Y560-F601 HydrophobicContact CE2-CD2 4.18Å; Y560-F601 HydrophobicContact CE2-CG 4.44Å; Y560-F601 AromaticContact CZ-CD2 3.87Å
561	S	96.6	Very high	95.3	Very high	44 Å²	44	37.9 Å²	37.9	31%	0.308	19%	0.192	S	C	.	.	H	α-helix	trans	-59.1	-36	176.6	-67.4	0	0	0	0	112.1	C557 Y558 R565	C557-S561 WeakPolarHBondContact O-CB 3.43Å; C557-S561 PolarHBondContact O-N 2.93Å; C557-S561 PolarHBondContact O-OG 3.05Å; Y558-S561 PolarHBondContact O-N 3.27Å; S561-R565 WeakPolarHBondContact O-CB 3.41Å; S561-R565 PolarHBondContact O-N 3.08Å
562	W	97.4	Very high	94.4	Very high	15 Å²	15	41.5 Å²	41.5	6%	0.057	21%	0.207	C	C	.	.	H	α-helix	trans	-68.2	-46.7	177.3	-169.9	-76.5	0	0	0	111.9	P505 F508 N509 K512 Y558 T559 Y560 I564 M566 D567	P505-W562 HydrophobicContact CB-CH2 4.36Å; F508-W562 HydrophobicContact CB-CH2 4.37Å; F508-W562 HydrophobicContact CB-CZ3 4.03Å; N509-W562 HydrophobicContact CB-CH2 3.52Å; N509-W562 HydrophobicContact CB-CZ2 3.65Å; N509-W562 HydrophobicContact CB-CZ3 4.33Å; N509-W562 WeakPolarHBondContact ND2-CZ2 3.18Å; N509-W562 VanDerWaalsContact OD1-CE2 3.32Å; N509-W562 VanDerWaalsContact OD1-CZ2 3.26Å; N509-W562 WeakPolarHBondContact OD1-CZ2 3.39Å; K512-W562 HydrophobicContact CD-CB 3.66Å; K512-W562 HydrophobicContact CD-CD2 3.78Å; K512-W562 HydrophobicContact CD-CE3 4.35Å; K512-W562 HydrophobicContact CD-CG 3.41Å; K512-W562 VanDerWaalsContact CD-CG 3.41Å; Y558-W562 AromaticContact CE2-CE3 3.83Å; Y558-W562 HydrophobicContact CE2-CE3 3.83Å; Y558-W562 HydrophobicContact CE2-CZ3 4.34Å; Y558-W562 WeakPolarHBondContact O-CB 3.39Å; Y558-W562 PolarHBondContact O-N 2.84Å; T559-W562 WeakPolarHBondContact O-CB 3.43Å; T559-W562 PolarHBondContact O-N 2.82Å; Y560-W562 PolarHBondContact O-N 3.06Å; W562-I564 VanDerWaalsContact C-N 3.34Å; W562-I564 PolarHBondContact O-N 3.42Å; W562-M566 HydrophobicContact CD2-CB 3.88Å; W562-M566 HydrophobicContact CD2-CG 3.85Å; W562-M566 HydrophobicContact CE3-CB 4.49Å; W562-M566 HydrophobicContact CE3-CG 3.96Å; W562-M566 HydrophobicContact CG-CB 4.06Å; W562-M566 HydrophobicContact CG-CG 4.31Å; W562-M566 HydrophobicContact CH2-CE 4.38Å; W562-M566 HydrophobicContact CH2-CG 4.33Å; W562-M566 HydrophobicContact CZ2-CB 4.04Å; W562-M566 HydrophobicContact CZ2-CE 4.43Å; W562-M566 HydrophobicContact CZ2-CG 4.19Å; W562-M566 HydrophobicContact CZ3-CG 4.23Å; W562-M566 WeakPolarHBondContact O-CA 3.16Å; W562-M566 VanDerWaalsContact O-CB 3.31Å; W562-M566 WeakPolarHBondContact O-CB 3.33Å; W562-M566 PolarHBondContact O-N 3.06Å; W562-D567 PolarHBondContact NE1-OD1 2.89Å; W562-D567 PolarHBondContact O-N 3.4Å
563	D	96.7	Very high	93.2	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.005	25%	0.248	C	C	.	.	I	π-helix	trans	-55.5	-51	178.6	-76.7	6	0	0	0	110.8	T559 Y560 W568 R604 R635 W639	T559-D563 PolarHBondContact O-N 2.72Å; Y560-D563 PolarHBondContact O-N 3.17Å; D563-W568 WeakPolarHBondContact O-CB 3.37Å; D563-W568 VanDerWaalsContact O-CG 3.28Å; D563-W568 PolarHBondContact O-N 3.43Å; D563-R604 IonicContact OD1-CZ 2.68Å; D563-R604 IonicContact OD1-NH2 3.52Å; D563-R604 PolarHBondContact OD1-NH2 3.32Å; D563-R604 IonicContact OD2-CZ 3.51Å; D563-R604 IonicContact OD2-NE 3.25Å; D563-R604 PolarHBondContact OD2-NE 3Å; D563-R604 IonicContact OD2-NH2 3.62Å; D563-R604 PolarHBondContact OD2-NH2 3.01Å; D563-R635 IonicContact OD2-NH1 3.6Å; D563-R635 PolarHBondContact OD2-NH1 3.31Å; D563-W639 PolarHBondContact OD1-NE1 3.35Å
564	I	96.2	Very high	91.8	Very high	6 Å²	6	54.4 Å²	54.4	3%	0.031	26%	0.262	C	S	.	.	I	π-helix	trans	-69.2	-49.9	-176.6	-58.7	-46.1	0	0	0	112.2	Y560 W562 W568 L570 F571 M597	Y560-I564 HydrophobicContact CD2-CG1 4.2Å; Y560-I564 HydrophobicContact CE1-CG1 4.26Å; Y560-I564 HydrophobicContact CE2-CD1 3.97Å; Y560-I564 HydrophobicContact CE2-CG1 3.72Å; Y560-I564 WeakPolarHBondContact O-CG1 3.47Å; Y560-I564 PolarHBondContact O-N 3.03Å; Y560-I564 VanDerWaalsContact O-N 3.13Å; W562-I564 VanDerWaalsContact C-N 3.34Å; W562-I564 PolarHBondContact O-N 3.42Å; I564-W568 HydrophobicContact CD1-CD2 4.41Å; I564-W568 HydrophobicContact CD1-CE3 3.54Å; I564-W568 HydrophobicContact CD1-CH2 4.09Å; I564-W568 HydrophobicContact CD1-CZ3 3.35Å; I564-L570 HydrophobicContact CG2-CB 4.12Å; I564-L570 HydrophobicContact CG2-CD1 4.35Å; I564-L570 WeakPolarHBondContact O-CB 3.29Å; I564-L570 PolarHBondContact O-N 3.25Å; I564-F571 HydrophobicContact CG2-CD2 3.73Å; I564-F571 HydrophobicContact CG2-CE2 3.54Å; I564-M597 HydrophobicContact CD1-CB 4.28Å; I564-M597 HydrophobicContact CD1-CG 3.96Å; I564-M597 HydrophobicContact CG2-CE 4.38Å
565	R	93.6	Very high	90.2	Very high	138 Å²	138	50.4 Å²	50.4	52%	0.521	24%	0.244	S	C	.	.	I	π-helix	trans	-85.5	-44.5	-171.5	-66.3	-171.1	174.7	103.3	-1.4	113.5	S561 G569	S561-R565 WeakPolarHBondContact O-CB 3.41Å; S561-R565 PolarHBondContact O-N 3.08Å; R565-G569 VanDerWaalsContact O-CA 3.23Å; R565-G569 WeakPolarHBondContact O-CA 3.32Å; R565-G569 PolarHBondContact O-N 3.08Å
566	M	93.3	Very high	88.8	Confident	63 Å²	63	52.9 Å²	52.9	31%	0.31	27%	0.272	S	S	.	.	I	π-helix	trans	-93.9	-52.9	-170.3	-62.8	-57.9	-62.9	0	0	111.2	F504 P505 W562 N646	F504-M566 HydrophobicContact CE1-CE 3.94Å; F504-M566 HydrophobicContact CE2-CE 3.8Å; F504-M566 HydrophobicContact CE2-SD 4.33Å; F504-M566 HydrophobicContact CZ-CE 3.19Å; F504-M566 HydrophobicContact CZ-SD 3.85Å; P505-M566 HydrophobicContact CB-CE 4.25Å; W562-M566 HydrophobicContact CD2-CB 3.88Å; W562-M566 HydrophobicContact CD2-CG 3.85Å; W562-M566 HydrophobicContact CE3-CB 4.49Å; W562-M566 HydrophobicContact CE3-CG 3.96Å; W562-M566 HydrophobicContact CG-CB 4.06Å; W562-M566 HydrophobicContact CG-CG 4.31Å; W562-M566 HydrophobicContact CH2-CE 4.38Å; W562-M566 HydrophobicContact CH2-CG 4.33Å; W562-M566 HydrophobicContact CZ2-CB 4.04Å; W562-M566 HydrophobicContact CZ2-CE 4.43Å; W562-M566 HydrophobicContact CZ2-CG 4.19Å; W562-M566 HydrophobicContact CZ3-CG 4.23Å; W562-M566 WeakPolarHBondContact O-CA 3.16Å; W562-M566 VanDerWaalsContact O-CB 3.31Å; W562-M566 WeakPolarHBondContact O-CB 3.33Å; W562-M566 PolarHBondContact O-N 3.06Å; M566-N646 PolarHBondContact O-ND2 3.01Å
567	D	94.2	Very high	87.4	Confident	6 Å²	6	57.4 Å²	57.4	3%	0.032	29%	0.293	C	S	.	.	I	π-helix	trans	-73.5	-43.8	-173.8	-71.9	-16.4	0	0	0	110.9	K512 W562 W639 R643 N646	K512-D567 IonicContact NZ-OD2 3.43Å; W562-D567 PolarHBondContact NE1-OD1 2.89Å; W562-D567 PolarHBondContact O-N 3.4Å; D567-W639 HydrophobicContact CB-CZ2 4.16Å; D567-W639 VanDerWaalsContact OD2-CZ2 3.28Å; D567-W639 WeakPolarHBondContact OD2-CZ2 3.44Å; D567-W639 PolarHBondContact OD2-NE1 3.34Å; D567-R643 WeakPolarHBondContact O-CD 3.46Å; D567-R643 PolarHBondContact O-NH1 3.08Å; D567-R643 VanDerWaalsContact O-NH1 3.13Å; D567-R643 IonicContact OD1-NE 3.22Å; D567-N646 WeakPolarHBondContact O-CB 3.32Å; D567-N646 PolarHBondContact O-ND2 3.11Å
568	W	95	Very high	86.4	Confident	2 Å²	2	54.9 Å²	54.9	1%	0.008	28%	0.275	C	S	.	.	S	Bend	trans	-91.1	-11.9	176.8	-60.3	-4.8	0	0	0	114.3	D563 I564 L570 R582 A596 M597 D600 I638 W639 F642	D563-W568 WeakPolarHBondContact O-CB 3.37Å; D563-W568 VanDerWaalsContact O-CG 3.28Å; D563-W568 PolarHBondContact O-N 3.43Å; I564-W568 HydrophobicContact CD1-CD2 4.41Å; I564-W568 HydrophobicContact CD1-CE3 3.54Å; I564-W568 HydrophobicContact CD1-CH2 4.09Å; I564-W568 HydrophobicContact CD1-CZ3 3.35Å; W568-L570 VanDerWaalsContact C-N 3.31Å; W568-L570 HydrophobicContact CB-CD1 4.32Å; W568-L570 HydrophobicContact CB-CG 3.95Å; W568-L570 HydrophobicContact CE3-CD1 3.9Å; W568-L570 PolarHBondContact O-N 3.46Å; W568-R582 PolarHBondContact O-NH1 2.85Å; W568-A596 HydrophobicContact CH2-CB 3.75Å; W568-A596 WeakPolarHBondContact CH2-O 3.36Å; W568-A596 HydrophobicContact CZ3-CB 3.85Å; W568-M597 HydrophobicContact CZ3-CG 4.13Å; W568-D600 HydrophobicContact CH2-CB 3.8Å; W568-D600 HydrophobicContact CZ2-CB 4.37Å; W568-I638 HydrophobicContact CH2-CG2 4.21Å; W568-I638 HydrophobicContact CZ2-CG2 4.13Å; W568-W639 AromaticContact NE1-CD1 3.84Å; W568-W639 PolarHBondContact NE1-O 2.91Å; W568-F642 HydrophobicContact CB-CB 4.45Å; W568-F642 HydrophobicContact CD2-CB 3.89Å; W568-F642 HydrophobicContact CD2-CG 4.41Å; W568-F642 HydrophobicContact CG-CB 3.73Å; W568-F642 HydrophobicContact CZ2-CD2 4.23Å
569	G	90.6	Very high	85.6	Confident	5 Å²	5	57.9 Å²	57.9	5%	0.052	29%	0.29	C	S	.	.			trans	65.1	31.8	178.1	0	0	0	0	0	113.6	R565 N646	R565-G569 VanDerWaalsContact O-CA 3.23Å; R565-G569 WeakPolarHBondContact O-CA 3.32Å; R565-G569 PolarHBondContact O-N 3.08Å; G569-N646 PolarHBondContact N-ND2 3.49Å
570	L	91.3	Very high	85.1	Confident	5 Å²	5	62.7 Å²	62.7	3%	0.026	31%	0.307	C	S	.	.			trans	-89.5	165.1	177.2	-52.9	-177.4	0	0	0	110.8	I564 W568 E572 L581 Y593 M597	I564-L570 HydrophobicContact CG2-CB 4.12Å; I564-L570 HydrophobicContact CG2-CD1 4.35Å; I564-L570 WeakPolarHBondContact O-CB 3.29Å; I564-L570 PolarHBondContact O-N 3.25Å; W568-L570 VanDerWaalsContact C-N 3.31Å; W568-L570 HydrophobicContact CB-CD1 4.32Å; W568-L570 HydrophobicContact CB-CG 3.95Å; W568-L570 HydrophobicContact CE3-CD1 3.9Å; W568-L570 PolarHBondContact O-N 3.46Å; L570-E572 VanDerWaalsContact C-N 3.34Å; L570-L581 HydrophobicContact CD1-CD2 4.33Å; L570-L581 HydrophobicContact CD2-CB 4.39Å; L570-L581 HydrophobicContact CD2-CD2 4.05Å; L570-Y593 HydrophobicContact CD2-CD1 4.37Å; L570-M597 HydrophobicContact CD1-CG 3.92Å; L570-M597 HydrophobicContact CD1-SD 3.87Å
571	F	87.5	Confident	84.6	Confident	82 Å²	82	60.3 Å²	60.3	36%	0.36	30%	0.298	S	S	.	.	S	Bend	trans	63.4	30.8	-174	-62.5	-99.1	0	0	0	115	I564 Y580 M597	I564-F571 HydrophobicContact CG2-CD2 3.73Å; I564-F571 HydrophobicContact CG2-CE2 3.54Å; F571-Y580 AromaticContact CD1-CD1 3.7Å; F571-Y580 HydrophobicContact CD1-CD1 3.7Å; F571-Y580 HydrophobicContact CD1-CG 4.17Å; F571-Y580 AromaticContact CE1-CD1 3.47Å; F571-Y580 HydrophobicContact CE1-CD1 3.47Å; F571-Y580 VanDerWaalsContact CE1-CD1 3.47Å; F571-Y580 HydrophobicContact CE1-CE1 4.19Å; F571-Y580 AromaticContact CE1-CG 3.7Å; F571-Y580 HydrophobicContact CE1-CG 3.7Å; F571-Y580 HydrophobicContact CZ-CD1 4.42Å; F571-Y580 HydrophobicContact CZ-CG 4.22Å; F571-Y580 PolarHBondContact N-O 2.94Å; F571-M597 HydrophobicContact CE2-CE 3.59Å; F571-M597 HydrophobicContact CZ-CE 3.8Å
572	E	77.2	Confident	83.8	Confident	85 Å²	85	58.6 Å²	58.6	40%	0.397	28%	0.284	S	S	.	.			trans	-65.1	142.1	170.7	-69.6	-176.2	170.6	0	0	111.6	L570 N574 A575 R582	L570-E572 VanDerWaalsContact C-N 3.34Å; E572-N574 PolarHBondContact O-N 3.43Å; E572-A575 WeakPolarHBondContact O-CB 3.48Å; E572-A575 PolarHBondContact O-N 2.96Å; E572-R582 HydrophobicContact CG-CB 4.45Å
573	K	70.1	Confident	82.6	Confident	214 Å²	214	64 Å²	64	93%	0.93	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-26.3	-180	-64.1	-177.1	-178.9	177.8	0	112.6
574	N	67.5	Low	81.3	Confident	126 Å²	126	68.2 Å²	68.2	67%	0.674	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	35.4	-177.2	-63.7	-13.4	0	0	0	112.3	E572 G576	E572-N574 PolarHBondContact O-N 3.43Å; N574-G576 PolarHBondContact O-N 3.48Å
575	A	63.6	Low	80.4	Confident	14 Å²	14	70 Å²	70	12%	0.116	34%	0.34	C	S	.	.			trans	-60.9	-7.7	-176.1	0	0	0	0	0	116.5	E572 E577 N578 L581	E572-A575 WeakPolarHBondContact O-CB 3.48Å; E572-A575 PolarHBondContact O-N 2.96Å; A575-E577 PolarHBondContact O-N 2.86Å; A575-N578 WeakPolarHBondContact CB-O 3.36Å; A575-N578 PolarHBondContact O-N 3.45Å; A575-L581 WeakPolarHBondContact CA-O 3.45Å; A575-L581 WeakPolarHBondContact CB-O 3.3Å
576	G	67.2	Low	79.2	Confident	69 Å²	69	64.8 Å²	64.8	71%	0.711	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	-122.2	-176	0	0	0	0	0	112.2	N574	N574-G576 PolarHBondContact O-N 3.48Å
577	E	67.3	Low	78.3	Confident	119 Å²	119	62 Å²	62	56%	0.556	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-9.7	179.2	-61.4	-177.2	-178.6	0	0	113.8	A575 K579	A575-E577 PolarHBondContact O-N 2.86Å; E577-K579 PolarHBondContact O-N 3Å
578	N	77.2	Confident	77	Confident	20 Å²	20	66.7 Å²	66.7	11%	0.107	34%	0.342	C	S	.	.	S	Bend	trans	-94.4	87.6	-173.3	-58.2	-29.5	0	0	0	111.1	A575 Y580 L581 R582 E583 K590	A575-N578 WeakPolarHBondContact CB-O 3.36Å; A575-N578 PolarHBondContact O-N 3.45Å; N578-Y580 PolarHBondContact O-N 2.89Å; N578-L581 HydrophobicContact CB-CB 3.87Å; N578-L581 HydrophobicContact CB-CD1 4.43Å; N578-L581 HydrophobicContact CB-CG 4.48Å; N578-L581 PolarHBondContact O-N 3.39Å; N578-R582 PolarHBondContact ND2-O 2.9Å; N578-E583 PolarHBondContact ND2-O 3.13Å; N578-K590 WeakPolarHBondContact OD1-CE 3.32Å; N578-K590 PolarHBondContact OD1-NZ 3.2Å
579	K	81.4	Confident	76.3	Confident	137 Å²	137	71.7 Å²	71.7	60%	0.596	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.2	118.3	179.9	-166	-175.3	-179.7	-171.3	0	111.9	E577 L581 Y594	E577-K579 PolarHBondContact O-N 3Å; K579-L581 PolarHBondContact O-N 3.3Å; K579-L581 VanDerWaalsContact O-N 3.16Å; K579-Y594 PolarHBondContact O-OH 3.02Å
580	Y	84.4	Confident	76	Confident	116 Å²	116	75.7 Å²	75.7	46%	0.455	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.3	-0.2	-178.3	-46.6	-55.3	0	0	0	117.3	F571 N578	F571-Y580 AromaticContact CD1-CD1 3.7Å; F571-Y580 HydrophobicContact CD1-CD1 3.7Å; F571-Y580 HydrophobicContact CD1-CG 4.17Å; F571-Y580 AromaticContact CE1-CD1 3.47Å; F571-Y580 HydrophobicContact CE1-CD1 3.47Å; F571-Y580 VanDerWaalsContact CE1-CD1 3.47Å; F571-Y580 HydrophobicContact CE1-CE1 4.19Å; F571-Y580 AromaticContact CE1-CG 3.7Å; F571-Y580 HydrophobicContact CE1-CG 3.7Å; F571-Y580 HydrophobicContact CZ-CD1 4.42Å; F571-Y580 HydrophobicContact CZ-CG 4.22Å; F571-Y580 PolarHBondContact N-O 2.94Å; N578-Y580 PolarHBondContact O-N 2.89Å
581	L	87.4	Confident	75.9	Confident	0 Å²	0	78.7 Å²	78.7	0%	0	41%	0.407	C	S	.	.	S	Bend	trans	-103.9	170.1	173.9	-44.3	173.7	0	0	0	109.4	L570 A575 N578 K579 L585 K590 Y593 Y594	L570-L581 HydrophobicContact CD1-CD2 4.33Å; L570-L581 HydrophobicContact CD2-CB 4.39Å; L570-L581 HydrophobicContact CD2-CD2 4.05Å; A575-L581 WeakPolarHBondContact CA-O 3.45Å; A575-L581 WeakPolarHBondContact CB-O 3.3Å; N578-L581 HydrophobicContact CB-CB 3.87Å; N578-L581 HydrophobicContact CB-CD1 4.43Å; N578-L581 HydrophobicContact CB-CG 4.48Å; N578-L581 PolarHBondContact O-N 3.39Å; K579-L581 PolarHBondContact O-N 3.3Å; K579-L581 VanDerWaalsContact O-N 3.16Å; L581-L585 HydrophobicContact CB-CD1 4.5Å; L581-L585 HydrophobicContact CB-CD2 4.32Å; L581-L585 HydrophobicContact CD1-CD1 3.93Å; L581-K590 HydrophobicContact CD1-CB 4.27Å; L581-K590 HydrophobicContact CD1-CG 4.29Å; L581-Y593 HydrophobicContact CD1-CD2 4.42Å; L581-Y593 HydrophobicContact CD1-CG 4.45Å; L581-Y593 HydrophobicContact CD2-CG 4.35Å; L581-Y594 HydrophobicContact CD1-CE2 4.3Å; L581-Y594 HydrophobicContact CD2-CE1 4.1Å; L581-Y594 HydrophobicContact CG-CE1 4.39Å
582	R	80	Confident	76.1	Confident	7 Å²	7	80.7 Å²	80.7	3%	0.026	41%	0.413	C	S	.	.			trans	-73.3	164.6	170.7	55.4	179	-171.4	-124.5	-6.1	112.1	W568 E572 N578 E584 L585 E645 N646 L649	W568-R582 PolarHBondContact O-NH1 2.85Å; E572-R582 HydrophobicContact CG-CB 4.45Å; N578-R582 PolarHBondContact ND2-O 2.9Å; R582-E584 WeakPolarHBondContact CD-O 3.34Å; R582-E584 WeakPolarHBondContact CG-O 3.24Å; R582-E584 PolarHBondContact NE-O 2.77Å; R582-L585 HydrophobicContact CG-CD2 3.73Å; R582-E645 IonicContact CZ-OE2 3.12Å; R582-E645 IonicContact NH2-OE1 2.81Å; R582-E645 PolarHBondContact NH2-OE1 3.4Å; R582-E645 IonicContact NH2-OE2 2.69Å; R582-E645 PolarHBondContact NH2-OE2 3.47Å; R582-N646 VanDerWaalsContact NH1-CB 3.25Å; R582-N646 PolarHBondContact NH1-OD1 3.43Å; R582-L649 VanDerWaalsContact CZ-CD1 3.42Å
583	E	72.2	Confident	76.9	Confident	128 Å²	128	76.8 Å²	76.8	60%	0.598	40%	0.395	S	S	*	.	S	Bend	trans	-62.7	-47.6	-178.8	-173.2	173.7	-169.2	0	0	111.6	N578	N578-E583 PolarHBondContact ND2-O 3.13Å
584	E	69.2	Low	78.1	Confident	91 Å²	91	70.7 Å²	70.7	43%	0.425	37%	0.367	S	S	.	.			trans	-98.9	124.7	-178.2	-58.8	-158.2	173.5	0	0	112.1	R16 R582 L649	R16-E584 IonicContact NH1-OE1 2.8Å; R16-E584 PolarHBondContact NH1-OE1 3.15Å; R16-E584 IonicContact NH1-OE2 3.11Å; R16-E584 PolarHBondContact NH1-OE2 3.21Å; R582-E584 WeakPolarHBondContact CD-O 3.34Å; R582-E584 WeakPolarHBondContact CG-O 3.24Å; R582-E584 PolarHBondContact NE-O 2.77Å; E584-L649 HydrophobicContact CB-CD1 4.46Å; E584-L649 HydrophobicContact CB-CD2 4.13Å; E584-L649 VanDerWaalsContact O-CD1 3.25Å; E584-L649 WeakPolarHBondContact O-CD1 3.42Å
585	L	77.4	Confident	79.4	Confident	44 Å²	44	66.7 Å²	66.7	23%	0.23	36%	0.355	C	S	.	.			trans	-126.4	131.3	178.1	-56.7	175.7	0	0	0	109.1	L581 R582 K590 Y593	L581-L585 HydrophobicContact CB-CD1 4.5Å; L581-L585 HydrophobicContact CB-CD2 4.32Å; L581-L585 HydrophobicContact CD1-CD1 3.93Å; R582-L585 HydrophobicContact CG-CD2 3.73Å; L585-K590 HydrophobicContact CD1-CG 4.4Å; L585-Y593 HydrophobicContact CB-CE2 4.22Å; L585-Y593 HydrophobicContact CD1-CD2 4.47Å; L585-Y593 HydrophobicContact CD1-CE2 4.06Å; L585-Y593 HydrophobicContact CD2-CD1 4.44Å; L585-Y593 HydrophobicContact CD2-CE1 3.87Å; L585-Y593 HydrophobicContact CD2-CE2 4.02Å; L585-Y593 HydrophobicContact CG-CE2 4.32Å
586	V	68.3	Low	81	Confident	28 Å²	28	66.3 Å²	66.3	17%	0.17	35%	0.352	C	S	.	.	S	Bend	trans	-82.3	-36.6	173.9	-178.8	0	0	0	0	110.1	K300 V302 S588 E645 L649	K300-V586 HydrophobicContact CB-CG1 4.06Å; K300-V586 VanDerWaalsContact O-CG1 3.29Å; K300-V586 WeakPolarHBondContact O-CG1 3.32Å; V302-V586 HydrophobicContact CG2-CG1 4.19Å; V586-S588 PolarHBondContact O-N 3.17Å; V586-E645 HydrophobicContact CB-CG 3.77Å; V586-E645 VanDerWaalsContact CB-OE1 3.31Å; V586-E645 WeakPolarHBondContact CB-OE1 3.32Å; V586-E645 HydrophobicContact CG2-CG 3.63Å; V586-E645 PolarHBondContact N-OE1 3.25Å; V586-L649 HydrophobicContact CG2-CD1 4.31Å; V586-L649 HydrophobicContact CG2-CD2 3.94Å; V586-L649 HydrophobicContact CG2-CG 4.16Å
587	Y	74	Confident	82.4	Confident	3 Å²	3	64.1 Å²	64.1	1%	0.012	32%	0.323	C	S	.	.	S	Bend	trans	-83.4	117.9	-179.5	-49.2	-52.9	0	0	0	110.9	K300 Q589 Y593 Y641 F642 E645	K300-Y587 HydrophobicContact CB-CD1 4.24Å; K300-Y587 HydrophobicContact CB-CE1 3.91Å; K300-Y587 HydrophobicContact CD-CD1 4.15Å; K300-Y587 HydrophobicContact CG-CD1 3.81Å; K300-Y587 HydrophobicContact CG-CE1 3.76Å; Y587-Q589 VanDerWaalsContact C-N 3.25Å; Y587-Q589 PolarHBondContact O-N 3.35Å; Y587-Q589 VanDerWaalsContact O-N 3.16Å; Y587-Y593 WeakPolarHBondContact CB-OH 3.35Å; Y587-Y593 HydrophobicContact CD2-CE1 4.13Å; Y587-Y593 HydrophobicContact CD2-CE2 4.33Å; Y587-Y593 AromaticContact CD2-CZ 3.67Å; Y587-Y593 VanDerWaalsContact CD2-OH 3.25Å; Y587-Y593 WeakPolarHBondContact CD2-OH 3.44Å; Y587-Y593 PolarHBondContact N-OH 3.12Å; Y587-Y641 AromaticContact CD1-CE1 3.96Å; Y587-Y641 HydrophobicContact CD1-CE1 3.96Å; Y587-Y641 HydrophobicContact CD2-CD1 4.45Å; Y587-Y641 HydrophobicContact CD2-CE1 4.06Å; Y587-Y641 HydrophobicContact CE1-CD1 4.26Å; Y587-Y641 AromaticContact CE1-CE1 3.35Å; Y587-Y641 HydrophobicContact CE1-CE1 3.35Å; Y587-Y641 HydrophobicContact CE1-CE2 4.47Å; Y587-Y641 AromaticContact CE1-CZ 3.47Å; Y587-Y641 VanDerWaalsContact CE1-CZ 3.47Å; Y587-Y641 VanDerWaalsContact CE1-OH 3.27Å; Y587-Y641 WeakPolarHBondContact CE1-OH 3.42Å; Y587-Y641 AromaticContact CE2-CD1 3.64Å; Y587-Y641 HydrophobicContact CE2-CD1 3.64Å; Y587-Y641 AromaticContact CE2-CE1 3.47Å; Y587-Y641 HydrophobicContact CE2-CE1 3.47Å; Y587-Y641 VanDerWaalsContact CE2-CE1 3.47Å; Y587-Y641 HydrophobicContact CG-CE1 4.29Å; Y587-Y641 AromaticContact CZ-CD1 3.53Å; Y587-Y641 AromaticContact CZ-CE1 3.08Å; Y587-Y641 AromaticContact CZ-CZ 3.53Å; Y587-Y641 WeakPolarHBondContact OH-CD1 3.32Å; Y587-Y641 VanDerWaalsContact OH-CE1 3.29Å; Y587-Y641 WeakPolarHBondContact OH-CE1 3.45Å; Y587-Y641 PolarHBondContact OH-O 2.87Å; Y587-Y641 VanDerWaalsContact OH-O 3.12Å; Y587-F642 HydrophobicContact CD2-CD1 4.09Å; Y587-F642 AromaticContact CD2-CE1 3.81Å; Y587-F642 HydrophobicContact CD2-CE1 3.81Å; Y587-F642 AromaticContact CE2-CD1 3.89Å; Y587-F642 HydrophobicContact CE2-CD1 3.89Å; Y587-F642 AromaticContact CE2-CE1 3.97Å; Y587-F642 HydrophobicContact CE2-CE1 3.97Å; Y587-E645 HydrophobicContact CD2-CG 4.47Å; Y587-E645 WeakPolarHBondContact CD2-OE2 3.32Å; Y587-E645 HydrophobicContact CE2-CB 3.99Å; Y587-E645 HydrophobicContact CE2-CG 3.86Å; Y587-E645 WeakPolarHBondContact CE2-OE2 3.03Å
588	S	68.2	Low	83.8	Confident	105 Å²	105	62.4 Å²	62.4	73%	0.734	32%	0.321	S	S	*	.	S	Bend	trans	-60.5	-29.6	-170.9	-39.4	0	0	0	0	114.4	V586	V586-S588 PolarHBondContact O-N 3.17Å
589	Q	79.4	Confident	84.8	Confident	107 Å²	107	63 Å²	63	50%	0.5	33%	0.329	S	S	.	.			trans	-99.1	117.6	-177.9	-63.8	-179.6	-2.2	0	0	111.1	Y587 A591 Y592	Y587-Q589 VanDerWaalsContact C-N 3.25Å; Y587-Q589 PolarHBondContact O-N 3.35Å; Y587-Q589 VanDerWaalsContact O-N 3.16Å; Q589-A591 PolarHBondContact O-N 3.35Å; Q589-Y592 HydrophobicContact CB-CD2 3.77Å; Q589-Y592 HydrophobicContact CB-CE2 3.69Å; Q589-Y592 HydrophobicContact CB-CG 4.47Å; Q589-Y592 HydrophobicContact CG-CE2 4.14Å; Q589-Y592 WeakPolarHBondContact O-CD2 3.35Å; Q589-Y592 PolarHBondContact O-N 3.3Å; Q589-Y592 PolarHBondContact OE1-OH 3.02Å; Q589-Y592 VanDerWaalsContact OE1-OH 3.07Å
590	K	84.8	Confident	85.6	Confident	89 Å²	89	56.5 Å²	56.5	39%	0.387	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-27.2	177.7	-63.1	179.1	178.5	-176.8	0	113.2	N578 L581 L585 Y592 Y593 Y594	N578-K590 WeakPolarHBondContact OD1-CE 3.32Å; N578-K590 PolarHBondContact OD1-NZ 3.2Å; L581-K590 HydrophobicContact CD1-CB 4.27Å; L581-K590 HydrophobicContact CD1-CG 4.29Å; L585-K590 HydrophobicContact CD1-CG 4.4Å; K590-Y592 PolarHBondContact O-N 2.88Å; K590-Y593 PolarHBondContact O-N 3.26Å; K590-Y593 VanDerWaalsContact O-N 3.13Å; K590-Y594 HydrophobicContact CB-CE2 4.11Å; K590-Y594 VanDerWaalsContact O-CD2 3.28Å; K590-Y594 WeakPolarHBondContact O-CD2 3.49Å; K590-Y594 PolarHBondContact O-N 3.19Å
591	A	88.9	Confident	86.2	Confident	68 Å²	68	54.5 Å²	54.5	56%	0.562	29%	0.294	S	S	*	.	H	α-helix	trans	-56.8	-32.5	178.9	0	0	0	0	0	112.8	Q589 Y593 Y594 G595	Q589-A591 PolarHBondContact O-N 3.35Å; A591-Y593 VanDerWaalsContact C-N 3.33Å; A591-Y593 PolarHBondContact O-N 3.26Å; A591-Y594 PolarHBondContact O-N 3.12Å; A591-G595 PolarHBondContact O-N 2.69Å
592	Y	91.8	Very high	86.6	Confident	125 Å²	125	60.8 Å²	60.8	49%	0.49	32%	0.322	S	S	.	.	H	α-helix	trans	-61.8	-40.2	177.6	-63.8	-41.5	0	0	0	112.6	Q589 K590 A596	Q589-Y592 HydrophobicContact CB-CD2 3.77Å; Q589-Y592 HydrophobicContact CB-CE2 3.69Å; Q589-Y592 HydrophobicContact CB-CG 4.47Å; Q589-Y592 HydrophobicContact CG-CE2 4.14Å; Q589-Y592 WeakPolarHBondContact O-CD2 3.35Å; Q589-Y592 PolarHBondContact O-N 3.3Å; Q589-Y592 PolarHBondContact OE1-OH 3.02Å; Q589-Y592 VanDerWaalsContact OE1-OH 3.07Å; K590-Y592 PolarHBondContact O-N 2.88Å; Y592-A596 VanDerWaalsContact O-CB 3.23Å; Y592-A596 WeakPolarHBondContact O-CB 3.49Å; Y592-A596 PolarHBondContact O-N 2.94Å
593	Y	94.3	Very high	87.4	Confident	2 Å²	2	61.6 Å²	61.6	1%	0.008	33%	0.327	C	S	.	.	H	α-helix	trans	-69.3	-47.2	179.7	-61.2	-89.9	0	0	0	111.4	L570 L581 L585 Y587 K590 A591 A596 M597 F642 E645	L570-Y593 HydrophobicContact CD2-CD1 4.37Å; L581-Y593 HydrophobicContact CD1-CD2 4.42Å; L581-Y593 HydrophobicContact CD1-CG 4.45Å; L581-Y593 HydrophobicContact CD2-CG 4.35Å; L585-Y593 HydrophobicContact CB-CE2 4.22Å; L585-Y593 HydrophobicContact CD1-CD2 4.47Å; L585-Y593 HydrophobicContact CD1-CE2 4.06Å; L585-Y593 HydrophobicContact CD2-CD1 4.44Å; L585-Y593 HydrophobicContact CD2-CE1 3.87Å; L585-Y593 HydrophobicContact CD2-CE2 4.02Å; L585-Y593 HydrophobicContact CG-CE2 4.32Å; Y587-Y593 WeakPolarHBondContact CB-OH 3.35Å; Y587-Y593 HydrophobicContact CD2-CE1 4.13Å; Y587-Y593 HydrophobicContact CD2-CE2 4.33Å; Y587-Y593 AromaticContact CD2-CZ 3.67Å; Y587-Y593 VanDerWaalsContact CD2-OH 3.25Å; Y587-Y593 WeakPolarHBondContact CD2-OH 3.44Å; Y587-Y593 PolarHBondContact N-OH 3.12Å; K590-Y593 PolarHBondContact O-N 3.26Å; K590-Y593 VanDerWaalsContact O-N 3.13Å; A591-Y593 VanDerWaalsContact C-N 3.33Å; A591-Y593 PolarHBondContact O-N 3.26Å; Y593-A596 PolarHBondContact O-N 2.92Å; Y593-M597 VanDerWaalsContact O-CG 3.28Å; Y593-M597 WeakPolarHBondContact O-CG 3.48Å; Y593-M597 PolarHBondContact O-N 2.88Å; Y593-F642 AromaticContact CD1-CD1 3.66Å; Y593-F642 HydrophobicContact CD1-CD1 3.66Å; Y593-F642 AromaticContact CD1-CE1 3.55Å; Y593-F642 HydrophobicContact CD1-CE1 3.55Å; Y593-F642 AromaticContact CE1-CD1 3.62Å; Y593-F642 HydrophobicContact CE1-CD1 3.62Å; Y593-F642 AromaticContact CE1-CE1 3.69Å; Y593-F642 HydrophobicContact CE1-CE1 3.69Å; Y593-F642 HydrophobicContact CG-CE1 4.06Å; Y593-E645 WeakPolarHBondContact CE1-OE2 3.23Å; Y593-E645 VanDerWaalsContact OH-CD 3.24Å; Y593-E645 PolarHBondContact OH-OE1 3.32Å; Y593-E645 PolarHBondContact OH-OE2 3.34Å
594	Y	94.9	Very high	88.5	Confident	87 Å²	87	57.7 Å²	57.7	34%	0.341	31%	0.306	S	S	.	.	H	α-helix	trans	-65	-41.7	178.1	-61.3	-62.6	0	0	0	112.1	K579 L581 K590 A591 A596 M597 V598	K579-Y594 PolarHBondContact O-OH 3.02Å; L581-Y594 HydrophobicContact CD1-CE2 4.3Å; L581-Y594 HydrophobicContact CD2-CE1 4.1Å; L581-Y594 HydrophobicContact CG-CE1 4.39Å; K590-Y594 HydrophobicContact CB-CE2 4.11Å; K590-Y594 VanDerWaalsContact O-CD2 3.28Å; K590-Y594 WeakPolarHBondContact O-CD2 3.49Å; K590-Y594 PolarHBondContact O-N 3.19Å; A591-Y594 PolarHBondContact O-N 3.12Å; Y594-A596 VanDerWaalsContact C-N 3.33Å; Y594-A596 PolarHBondContact O-N 3.04Å; Y594-M597 HydrophobicContact CD1-SD 4.21Å; Y594-M597 PolarHBondContact O-N 3Å; Y594-V598 WeakPolarHBondContact O-CG2 2.99Å; Y594-V598 PolarHBondContact O-N 3.23Å
595	G	96	Very high	89.6	Confident	42 Å²	42	55.9 Å²	55.9	43%	0.433	30%	0.299	S	S	.	.	H	α-helix	trans	-60.5	-42.3	174.8	0	0	0	0	0	112	A591 V598 A599	A591-G595 PolarHBondContact O-N 2.69Å; G595-V598 PolarHBondContact O-N 3.37Å; G595-A599 WeakPolarHBondContact O-CB 3.36Å; G595-A599 PolarHBondContact O-N 3.37Å
596	A	96.6	Very high	90.2	Very high	6 Å²	6	54.7 Å²	54.7	5%	0.05	29%	0.293	C	S	.	.	H	α-helix	trans	-63.9	-39.7	176.1	0	0	0	0	0	112.8	W568 Y592 Y593 Y594 V598 A599 D600 I638 F642	W568-A596 HydrophobicContact CH2-CB 3.75Å; W568-A596 WeakPolarHBondContact CH2-O 3.36Å; W568-A596 HydrophobicContact CZ3-CB 3.85Å; Y592-A596 VanDerWaalsContact O-CB 3.23Å; Y592-A596 WeakPolarHBondContact O-CB 3.49Å; Y592-A596 PolarHBondContact O-N 2.94Å; Y593-A596 PolarHBondContact O-N 2.92Å; Y594-A596 VanDerWaalsContact C-N 3.33Å; Y594-A596 PolarHBondContact O-N 3.04Å; A596-V598 VanDerWaalsContact C-N 3.3Å; A596-V598 PolarHBondContact O-N 2.99Å; A596-A599 PolarHBondContact O-N 2.99Å; A596-D600 WeakPolarHBondContact O-CB 3.48Å; A596-D600 PolarHBondContact O-N 3.11Å; A596-I638 HydrophobicContact CB-CG2 3.88Å; A596-F642 HydrophobicContact CB-CD2 3.88Å; A596-F642 HydrophobicContact CB-CE2 3.21Å; A596-F642 HydrophobicContact CB-CZ 3.63Å
597	M	96.6	Very high	91	Very high	23 Å²	23	55.5 Å²	55.5	11%	0.113	29%	0.293	C	S	.	.	H	α-helix	trans	-60.6	-40	176.1	-69.1	169	61.1	0	0	112.5	Y560 I564 W568 L570 F571 Y593 Y594 F601	Y560-M597 PolarHBondContact OH-O 3.43Å; I564-M597 HydrophobicContact CD1-CB 4.28Å; I564-M597 HydrophobicContact CD1-CG 3.96Å; I564-M597 HydrophobicContact CG2-CE 4.38Å; W568-M597 HydrophobicContact CZ3-CG 4.13Å; L570-M597 HydrophobicContact CD1-CG 3.92Å; L570-M597 HydrophobicContact CD1-SD 3.87Å; F571-M597 HydrophobicContact CE2-CE 3.59Å; F571-M597 HydrophobicContact CZ-CE 3.8Å; Y593-M597 VanDerWaalsContact O-CG 3.28Å; Y593-M597 WeakPolarHBondContact O-CG 3.48Å; Y593-M597 PolarHBondContact O-N 2.88Å; Y594-M597 HydrophobicContact CD1-SD 4.21Å; Y594-M597 PolarHBondContact O-N 3Å; M597-F601 PolarHBondContact O-N 3.22Å
598	V	97.1	Very high	91.5	Very high	82 Å²	82	58 Å²	58	50%	0.497	31%	0.309	S	S	.	.	H	α-helix	trans	-73.1	-45.2	177.7	175.9	0	0	0	0	110.6	Y594 G595 A596 D600 F601 F602	Y594-V598 WeakPolarHBondContact O-CG2 2.99Å; Y594-V598 PolarHBondContact O-N 3.23Å; G595-V598 PolarHBondContact O-N 3.37Å; A596-V598 VanDerWaalsContact C-N 3.3Å; A596-V598 PolarHBondContact O-N 2.99Å; V598-D600 PolarHBondContact O-N 3.4Å; V598-F601 WeakPolarHBondContact O-CB 3.33Å; V598-F601 PolarHBondContact O-N 3.14Å; V598-F602 HydrophobicContact CG1-CD2 3.83Å; V598-F602 HydrophobicContact CG1-CE2 3.62Å; V598-F602 VanDerWaalsContact O-CD2 3.24Å; V598-F602 WeakPolarHBondContact O-CD2 3.46Å; V598-F602 PolarHBondContact O-N 3.16Å
599	A	97.6	Very high	92.1	Very high	33 Å²	33	56.5 Å²	56.5	27%	0.273	29%	0.292	S	S	.	.	H	α-helix	trans	-61	-45.8	178.3	0	0	0	0	0	111.9	G595 A596 F601 F602 L603 I638	G595-A599 WeakPolarHBondContact O-CB 3.36Å; G595-A599 PolarHBondContact O-N 3.37Å; A596-A599 PolarHBondContact O-N 2.99Å; A599-F601 VanDerWaalsContact C-N 3.34Å; A599-F601 PolarHBondContact O-N 3.46Å; A599-F602 PolarHBondContact O-N 2.86Å; A599-L603 WeakPolarHBondContact O-CB 3.49Å; A599-L603 VanDerWaalsContact O-CG 3.23Å; A599-L603 WeakPolarHBondContact O-CG 3.36Å; A599-L603 PolarHBondContact O-N 3.1Å; A599-I638 HydrophobicContact CB-CD1 4.06Å
600	D	97.6	Very high	92	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-64	-38.8	178	-174	70.3	0	0	0	111.7	Y560 W568 A596 V598 F602 L603 R604 R635	Y560-D600 WeakPolarHBondContact CD2-OD2 3.42Å; W568-D600 HydrophobicContact CH2-CB 3.8Å; W568-D600 HydrophobicContact CZ2-CB 4.37Å; A596-D600 WeakPolarHBondContact O-CB 3.48Å; A596-D600 PolarHBondContact O-N 3.11Å; V598-D600 PolarHBondContact O-N 3.4Å; D600-F602 PolarHBondContact O-N 3.4Å; D600-L603 PolarHBondContact O-N 3.27Å; D600-R604 WeakPolarHBondContact O-CB 3.32Å; D600-R604 WeakPolarHBondContact O-CG 3.25Å; D600-R604 PolarHBondContact O-N 3.44Å; D600-R604 IonicContact OD1-NE 3.62Å; D600-R635 WeakPolarHBondContact OD1-CD 3.26Å; D600-R635 WeakPolarHBondContact OD1-CG 3.27Å; D600-R635 IonicContact OD1-NH1 2.75Å; D600-R635 PolarHBondContact OD1-NH1 2.98Å
601	F	97.3	Very high	91.5	Very high	73 Å²	73	50.9 Å²	50.9	32%	0.32	27%	0.271	S	S	.	.	H	α-helix	trans	-55.8	-50.9	174.7	179.2	-89.7	0	0	0	112.2	F556 Y560 M597 V598 A599 R604 I605	F556-F601 HydrophobicContact CE1-CE2 4.06Å; F556-F601 AromaticContact CZ-CD2 3.74Å; F556-F601 HydrophobicContact CZ-CD2 3.74Å; F556-F601 AromaticContact CZ-CE2 3.52Å; F556-F601 HydrophobicContact CZ-CE2 3.52Å; F556-F601 HydrophobicContact CZ-CG 4.46Å; F556-F601 HydrophobicContact CZ-CZ 4.05Å; Y560-F601 HydrophobicContact CD1-CD2 4.35Å; Y560-F601 HydrophobicContact CD2-CB 4.34Å; Y560-F601 AromaticContact CE1-CD2 3.97Å; Y560-F601 HydrophobicContact CE1-CD2 3.97Å; Y560-F601 HydrophobicContact CE2-CB 3.65Å; Y560-F601 HydrophobicContact CE2-CD2 4.18Å; Y560-F601 HydrophobicContact CE2-CG 4.44Å; Y560-F601 AromaticContact CZ-CD2 3.87Å; M597-F601 PolarHBondContact O-N 3.22Å; V598-F601 WeakPolarHBondContact O-CB 3.33Å; V598-F601 PolarHBondContact O-N 3.14Å; A599-F601 VanDerWaalsContact C-N 3.34Å; A599-F601 PolarHBondContact O-N 3.46Å; F601-R604 PolarHBondContact O-N 2.91Å; F601-I605 PolarHBondContact O-N 3.39Å
602	F	96.4	Very high	90.8	Very high	133 Å²	133	50.2 Å²	50.2	58%	0.583	26%	0.262	S	S	*	.	H	α-helix	trans	-70.3	-37.4	-179.2	-73.7	-64.8	0	0	0	112.8	V598 A599 D600 I605	V598-F602 HydrophobicContact CG1-CD2 3.83Å; V598-F602 HydrophobicContact CG1-CE2 3.62Å; V598-F602 VanDerWaalsContact O-CD2 3.24Å; V598-F602 WeakPolarHBondContact O-CD2 3.46Å; V598-F602 PolarHBondContact O-N 3.16Å; A599-F602 PolarHBondContact O-N 2.86Å; D600-F602 PolarHBondContact O-N 3.4Å; F602-I605 VanDerWaalsContact O-CG2 3.31Å; F602-I605 WeakPolarHBondContact O-CG2 3.32Å; F602-I605 PolarHBondContact O-N 3Å
603	L	96.7	Very high	89.9	Confident	24 Å²	24	46.9 Å²	46.9	13%	0.126	25%	0.252	C	S	.	.	H	α-helix	trans	-70.9	-34.6	177.1	-69.2	168.6	0	0	0	111.8	A599 D600 I605 T606 L631 I634 R635 I638	A599-L603 WeakPolarHBondContact O-CB 3.49Å; A599-L603 VanDerWaalsContact O-CG 3.23Å; A599-L603 WeakPolarHBondContact O-CG 3.36Å; A599-L603 PolarHBondContact O-N 3.1Å; D600-L603 PolarHBondContact O-N 3.27Å; L603-I605 VanDerWaalsContact C-N 3.33Å; L603-I605 PolarHBondContact O-N 2.72Å; L603-T606 VanDerWaalsContact O-CB 3.25Å; L603-T606 WeakPolarHBondContact O-CB 3.2Å; L603-T606 PolarHBondContact O-N 3.13Å; L603-T606 PolarHBondContact O-OG1 3.46Å; L603-L631 HydrophobicContact CD2-CB 3.96Å; L603-L631 HydrophobicContact CD2-CD2 3.95Å; L603-L631 HydrophobicContact CD2-CG 4.47Å; L603-I634 HydrophobicContact CD1-CG2 4.27Å; L603-R635 HydrophobicContact CB-CB 3.81Å; L603-R635 HydrophobicContact CB-CG 3.65Å; L603-R635 HydrophobicContact CD1-CB 3.85Å; L603-R635 HydrophobicContact CD1-CG 4.13Å; L603-R635 HydrophobicContact CG-CB 4.37Å; L603-I638 HydrophobicContact CD1-CD1 4.01Å
604	R	94.6	Very high	88.3	Confident	45 Å²	45	48.1 Å²	48.1	17%	0.17	27%	0.265	C	S	.	.	H	α-helix	trans	-67.3	-30.5	175.4	-77.4	-67.5	-172.2	172	-1.4	112.8	F556 D563 D600 F601 T606 R635	F556-R604 HydrophobicContact CD2-CB 3.89Å; F556-R604 HydrophobicContact CE2-CB 3.73Å; D563-R604 IonicContact OD1-CZ 2.68Å; D563-R604 IonicContact OD1-NH2 3.52Å; D563-R604 PolarHBondContact OD1-NH2 3.32Å; D563-R604 IonicContact OD2-CZ 3.51Å; D563-R604 IonicContact OD2-NE 3.25Å; D563-R604 PolarHBondContact OD2-NE 3Å; D563-R604 IonicContact OD2-NH2 3.62Å; D563-R604 PolarHBondContact OD2-NH2 3.01Å; D600-R604 WeakPolarHBondContact O-CB 3.32Å; D600-R604 WeakPolarHBondContact O-CG 3.25Å; D600-R604 PolarHBondContact O-N 3.44Å; D600-R604 IonicContact OD1-NE 3.62Å; F601-R604 PolarHBondContact O-N 2.91Å; R604-T606 VanDerWaalsContact C-N 3.27Å; R604-T606 PolarHBondContact O-N 2.63Å; R604-R635 VanDerWaalsContact NE-NH1 3.12Å
605	I	93	Very high	86.8	Confident	54 Å²	54	46.1 Å²	46.1	28%	0.277	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	6.5	178.6	-158.9	164.4	0	0	0	113.2	F556 F601 F602 L603 W607 V608	F556-I605 HydrophobicContact CD2-CB 4.27Å; F556-I605 HydrophobicContact CE2-CB 3.83Å; F556-I605 HydrophobicContact CE2-CG1 4.45Å; F556-I605 HydrophobicContact CZ-CB 4.39Å; F556-I605 HydrophobicContact CZ-CD1 4.49Å; F601-I605 PolarHBondContact O-N 3.39Å; F602-I605 VanDerWaalsContact O-CG2 3.31Å; F602-I605 WeakPolarHBondContact O-CG2 3.32Å; F602-I605 PolarHBondContact O-N 3Å; L603-I605 VanDerWaalsContact C-N 3.33Å; L603-I605 PolarHBondContact O-N 2.72Å; I605-W607 HydrophobicContact CG1-CZ2 4.37Å; I605-W607 PolarHBondContact O-N 2.85Å; I605-V608 HydrophobicContact CD1-CG2 3.99Å; I605-V608 HydrophobicContact CG1-CB 4.13Å; I605-V608 HydrophobicContact CG1-CG2 3.4Å; I605-V608 WeakPolarHBondContact O-CB 3.32Å; I605-V608 PolarHBondContact O-N 2.93Å
606	T	90.7	Very high	85	Confident	18 Å²	18	46.7 Å²	46.7	11%	0.11	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-25.6	177.5	-60.7	0	0	0	0	113.3	L603 R604 V608 L609 N610 T628 L631	L603-T606 VanDerWaalsContact O-CB 3.25Å; L603-T606 WeakPolarHBondContact O-CB 3.2Å; L603-T606 PolarHBondContact O-N 3.13Å; L603-T606 PolarHBondContact O-OG1 3.46Å; R604-T606 VanDerWaalsContact C-N 3.27Å; R604-T606 PolarHBondContact O-N 2.63Å; T606-V608 PolarHBondContact O-N 3.47Å; T606-V608 VanDerWaalsContact O-N 3.16Å; T606-L609 HydrophobicContact CG2-CD1 4.32Å; T606-L609 VanDerWaalsContact O-CB 3.28Å; T606-L609 WeakPolarHBondContact O-CB 3.38Å; T606-L609 PolarHBondContact O-N 3.25Å; T606-N610 PolarHBondContact O-N 2.95Å; T606-T628 HydrophobicContact CG2-CG2 3.28Å; T606-L631 HydrophobicContact CG2-CD1 4.37Å
607	W	84.4	Confident	83.1	Confident	45 Å²	45	54.8 Å²	54.8	17%	0.17	29%	0.29	C	S	.	.	H	α-helix	trans	-57.3	-26.9	172.1	65.6	-97.3	0	0	0	113.3	N552 I605 L609 N610 V611	N552-W607 HydrophobicContact CB-CD2 3.78Å; N552-W607 HydrophobicContact CB-CE3 3.63Å; N552-W607 HydrophobicContact CB-CH2 3.87Å; N552-W607 HydrophobicContact CB-CZ2 4.01Å; N552-W607 HydrophobicContact CB-CZ3 3.68Å; I605-W607 HydrophobicContact CG1-CZ2 4.37Å; I605-W607 PolarHBondContact O-N 2.85Å; W607-L609 VanDerWaalsContact C-N 3.26Å; W607-L609 PolarHBondContact O-N 2.86Å; W607-N610 WeakPolarHBondContact O-CA 3.24Å; W607-N610 WeakPolarHBondContact O-CB 3.48Å; W607-N610 PolarHBondContact O-N 3.41Å; W607-N610 VanDerWaalsContact O-N 3.08Å; W607-V611 HydrophobicContact CE3-CG2 3.78Å; W607-V611 HydrophobicContact CZ3-CG2 4.07Å; W607-V611 WeakPolarHBondContact O-CG2 3.09Å; W607-V611 PolarHBondContact O-N 3.41Å
608	V	83.9	Confident	81	Confident	56 Å²	56	60.1 Å²	60.1	34%	0.339	32%	0.319	S	S	.	.	H	α-helix	trans	-63.7	-34.1	173.4	172.2	0	0	0	0	110.8	I605 T606 N610 V611 S612	I605-V608 HydrophobicContact CD1-CG2 3.99Å; I605-V608 HydrophobicContact CG1-CB 4.13Å; I605-V608 HydrophobicContact CG1-CG2 3.4Å; I605-V608 WeakPolarHBondContact O-CB 3.32Å; I605-V608 PolarHBondContact O-N 2.93Å; T606-V608 PolarHBondContact O-N 3.47Å; T606-V608 VanDerWaalsContact O-N 3.16Å; V608-N610 VanDerWaalsContact C-N 3.33Å; V608-V611 PolarHBondContact O-N 2.98Å; V608-S612 WeakPolarHBondContact O-CB 3.35Å; V608-S612 PolarHBondContact O-N 3.21Å; V608-S612 PolarHBondContact O-OG 3.36Å
609	L	81.4	Confident	79.1	Confident	73 Å²	73	57.7 Å²	57.7	38%	0.382	31%	0.307	S	S	.	.	H	α-helix	trans	-64	-42.2	172	-59.3	178.6	0	0	0	110.3	T606 W607 V611 S612 L613 L624	T606-L609 HydrophobicContact CG2-CD1 4.32Å; T606-L609 VanDerWaalsContact O-CB 3.28Å; T606-L609 WeakPolarHBondContact O-CB 3.38Å; T606-L609 PolarHBondContact O-N 3.25Å; W607-L609 VanDerWaalsContact C-N 3.26Å; W607-L609 PolarHBondContact O-N 2.86Å; L609-V611 PolarHBondContact O-N 2.92Å; L609-S612 PolarHBondContact O-N 3.41Å; L609-S612 PolarHBondContact O-OG 3.28Å; L609-L613 HydrophobicContact CB-CD1 4.48Å; L609-L613 HydrophobicContact CD2-CD1 4.47Å; L609-L613 WeakPolarHBondContact O-CB 3.48Å; L609-L613 PolarHBondContact O-N 3.3Å; L609-L624 HydrophobicContact CB-CD1 4.15Å
610	N	77.7	Confident	78	Confident	59 Å²	59	60.7 Å²	60.7	32%	0.316	32%	0.316	S	S	.	.	H	α-helix	trans	-59.1	-45.9	175.7	-67.1	-11.5	0	0	0	112.7	T606 W607 V608 G614 L624 T628	T606-N610 PolarHBondContact O-N 2.95Å; W607-N610 WeakPolarHBondContact O-CA 3.24Å; W607-N610 WeakPolarHBondContact O-CB 3.48Å; W607-N610 PolarHBondContact O-N 3.41Å; W607-N610 VanDerWaalsContact O-N 3.08Å; V608-N610 VanDerWaalsContact C-N 3.33Å; N610-G614 VanDerWaalsContact O-CA 3.29Å; N610-G614 WeakPolarHBondContact O-CA 3.43Å; N610-G614 PolarHBondContact O-N 3.1Å; N610-G614 VanDerWaalsContact O-N 3.12Å; N610-L624 HydrophobicContact CB-CD2 4.37Å; N610-L624 VanDerWaalsContact OD1-CG 3.22Å; N610-L624 WeakPolarHBondContact OD1-CG 3.37Å; N610-T628 WeakPolarHBondContact OD1-CG2 3.43Å
611	V	74.2	Confident	77.1	Confident	20 Å²	20	63.6 Å²	63.6	12%	0.121	34%	0.34	C	S	.	.	H	α-helix	trans	-67.8	-54.1	176.4	178.1	0	0	0	0	110.7	F545 W548 W607 V608 L609 D615	F545-V611 HydrophobicContact CE2-CG1 4.07Å; F545-V611 HydrophobicContact CZ-CG1 4.19Å; W548-V611 HydrophobicContact CE3-CG2 4.37Å; W548-V611 HydrophobicContact CH2-CB 4.32Å; W548-V611 HydrophobicContact CH2-CG2 3.49Å; W548-V611 VanDerWaalsContact CH2-CG2 3.49Å; W548-V611 HydrophobicContact CZ2-CG2 4.01Å; W548-V611 HydrophobicContact CZ3-CB 4.35Å; W548-V611 HydrophobicContact CZ3-CG1 4.23Å; W548-V611 HydrophobicContact CZ3-CG2 3.7Å; W607-V611 HydrophobicContact CE3-CG2 3.78Å; W607-V611 HydrophobicContact CZ3-CG2 4.07Å; W607-V611 WeakPolarHBondContact O-CG2 3.09Å; W607-V611 PolarHBondContact O-N 3.41Å; V608-V611 PolarHBondContact O-N 2.98Å; L609-V611 PolarHBondContact O-N 2.92Å; V611-D615 WeakPolarHBondContact O-CB 3.44Å; V611-D615 PolarHBondContact O-N 3.5Å
612	S	73.5	Confident	76.5	Confident	53 Å²	53	60.8 Å²	60.8	37%	0.371	33%	0.328	S	S	.	.	H	α-helix	trans	-69.6	-41.2	-170.6	59	0	0	0	0	113.4	V608 L609 A616	V608-S612 WeakPolarHBondContact O-CB 3.35Å; V608-S612 PolarHBondContact O-N 3.21Å; V608-S612 PolarHBondContact O-OG 3.36Å; L609-S612 PolarHBondContact O-N 3.41Å; L609-S612 PolarHBondContact O-OG 3.28Å; S612-A616 WeakPolarHBondContact O-CB 3.36Å; S612-A616 PolarHBondContact O-N 2.79Å
613	L	74.1	Confident	76	Confident	56 Å²	56	57.2 Å²	57.2	29%	0.293	32%	0.317	S	S	.	.	H	α-helix	trans	-90.9	-35.2	-178	-58.8	176.5	0	0	0	112.1	L609 L618 A619 L624	L609-L613 HydrophobicContact CB-CD1 4.48Å; L609-L613 HydrophobicContact CD2-CD1 4.47Å; L609-L613 WeakPolarHBondContact O-CB 3.48Å; L609-L613 PolarHBondContact O-N 3.3Å; L613-L618 HydrophobicContact CD2-CB 4.3Å; L613-L618 HydrophobicContact CD2-CD1 4.11Å; L613-L618 PolarHBondContact O-N 3.49Å; L613-A619 HydrophobicContact CB-CB 4.15Å; L613-A619 PolarHBondContact O-N 3.33Å; L613-L624 HydrophobicContact CB-CD2 4.17Å; L613-L624 HydrophobicContact CD1-CD1 4.2Å
614	G	60.7	Low	75.6	Confident	27 Å²	27	56.7 Å²	56.7	28%	0.278	31%	0.314	S	S	.	.	H	α-helix	trans	-72.7	-41	179.8	0	0	0	0	0	113.5	N610	N610-G614 VanDerWaalsContact O-CA 3.29Å; N610-G614 WeakPolarHBondContact O-CA 3.43Å; N610-G614 PolarHBondContact O-N 3.1Å; N610-G614 VanDerWaalsContact O-N 3.12Å
615	D	63.3	Low	75.4	Confident	45 Å²	45	56.8 Å²	56.8	24%	0.241	32%	0.318	C	S	.	.	H	α-helix	trans	-87.1	-23.8	175.6	-85	-23	0	0	0	113.6	K530 F545 V611 W617	K530-D615 IonicContact NZ-OD1 3.01Å; K530-D615 PolarHBondContact NZ-OD1 3.41Å; F545-D615 WeakPolarHBondContact CE2-OD2 3.47Å; V611-D615 WeakPolarHBondContact O-CB 3.44Å; V611-D615 PolarHBondContact O-N 3.5Å; D615-W617 PolarHBondContact O-N 3.06Å
616	A	58.7	Low	75.3	Confident	54 Å²	54	56.1 Å²	56.1	45%	0.446	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	9.2	174.5	0	0	0	0	0	114.4	S612 L618	S612-A616 WeakPolarHBondContact O-CB 3.36Å; S612-A616 PolarHBondContact O-N 2.79Å; A616-L618 HydrophobicContact CB-CD1 4.44Å; A616-L618 HydrophobicContact CB-CG 4.31Å; A616-L618 PolarHBondContact O-N 3.05Å; A616-L618 VanDerWaalsContact O-N 3.12Å
617	W	56.6	Low	75.4	Confident	176 Å²	176	59.8 Å²	59.8	67%	0.667	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.9	19.2	177.7	-58	84.5	0	0	0	115.1	D615	D615-W617 PolarHBondContact O-N 3.06Å
618	L	51.4	Low	75.8	Confident	136 Å²	136	58.2 Å²	58.2	71%	0.712	33%	0.331	S	S	*	.	S	Bend	trans	-86	-26.2	-177.8	-67.4	177.7	0	0	0	113	L613 A616	L613-L618 HydrophobicContact CD2-CB 4.3Å; L613-L618 HydrophobicContact CD2-CD1 4.11Å; L613-L618 PolarHBondContact O-N 3.49Å; A616-L618 HydrophobicContact CB-CD1 4.44Å; A616-L618 HydrophobicContact CB-CG 4.31Å; A616-L618 PolarHBondContact O-N 3.05Å; A616-L618 VanDerWaalsContact O-N 3.12Å
619	A	58.2	Low	76.3	Confident	31 Å²	31	55.8 Å²	55.8	26%	0.256	32%	0.317	S	S	.	.	S	Bend	trans	-136.5	141	-179.2	0	0	0	0	0	111.1	L613	L613-A619 HydrophobicContact CB-CB 4.15Å; L613-A619 PolarHBondContact O-N 3.33Å
620	E	74.5	Confident	77	Confident	96 Å²	96	55 Å²	55	45%	0.449	32%	0.316	S	S	.	.			trans	-67.2	139.3	171.8	-58.6	-170.3	-136.7	0	0	109.8	W271 D622 V623 L624	W271-E620 VanDerWaalsContact CE2-OE2 3.23Å; W271-E620 HydrophobicContact CZ2-CB 3.98Å; W271-E620 HydrophobicContact CZ2-CG 4.33Å; W271-E620 WeakPolarHBondContact CZ2-OE2 3.34Å; W271-E620 PolarHBondContact NE1-OE2 3.11Å; E620-D622 PolarHBondContact O-N 3.49Å; E620-D622 VanDerWaalsContact O-N 3.14Å; E620-V623 HydrophobicContact CB-CG2 4.25Å; E620-V623 WeakPolarHBondContact O-CB 3.5Å; E620-V623 PolarHBondContact O-N 3.18Å; E620-L624 PolarHBondContact O-N 3.02Å
621	A	78.8	Confident	77.9	Confident	62 Å²	62	54.6 Å²	54.6	51%	0.512	31%	0.314	S	S	.	.	H	α-helix	trans	-55.8	-36.1	-174.2	0	0	0	0	0	112.5	L624 I625	A621-L624 PolarHBondContact O-N 3.42Å; A621-I625 WeakPolarHBondContact O-CB 3.33Å; A621-I625 VanDerWaalsContact O-CG1 3.26Å; A621-I625 WeakPolarHBondContact O-CG1 3.37Å; A621-I625 PolarHBondContact O-N 3.01Å
622	D	84.1	Confident	78.9	Confident	14 Å²	14	55.9 Å²	55.9	8%	0.075	32%	0.318	C	S	.	.	H	α-helix	trans	-68.4	-35.8	178.3	-78.1	-68.8	0	0	0	113.9	W271 R275 R278 E620 L624 S626	W271-D622 HydrophobicContact CB-CB 4.49Å; W271-D622 HydrophobicContact CD2-CB 3.55Å; W271-D622 HydrophobicContact CE3-CB 3.31Å; W271-D622 HydrophobicContact CG-CB 4.05Å; W271-D622 HydrophobicContact CZ3-CB 3.85Å; R275-D622 WeakPolarHBondContact CG-OD1 3.48Å; R275-D622 IonicContact CZ-OD1 2.92Å; R275-D622 IonicContact CZ-OD2 2.85Å; R275-D622 VanDerWaalsContact CZ-OD2 3.29Å; R275-D622 IonicContact NE-OD1 3.8Å; R275-D622 PolarHBondContact NE-OD1 3.24Å; R275-D622 IonicContact NE-OD2 3.54Å; R275-D622 PolarHBondContact NE-OD2 3.12Å; R275-D622 VanDerWaalsContact NE-OD2 3.11Å; R275-D622 IonicContact NH2-OD2 2.72Å; R275-D622 PolarHBondContact NH2-OD2 3.05Å; R278-D622 IonicContact CZ-OD1 3.66Å; R278-D622 PolarHBondContact NH1-O 3.22Å; R278-D622 IonicContact NH1-OD1 3.89Å; R278-D622 PolarHBondContact NH1-OD1 2.82Å; R278-D622 IonicContact NH2-OD1 2.81Å; E620-D622 PolarHBondContact O-N 3.49Å; E620-D622 VanDerWaalsContact O-N 3.14Å; D622-L624 VanDerWaalsContact C-N 3.3Å; D622-S626 VanDerWaalsContact O-CB 3.28Å; D622-S626 WeakPolarHBondContact O-CB 3.38Å; D622-S626 PolarHBondContact O-N 2.8Å; D622-S626 PolarHBondContact O-OG 3.45Å
623	V	86.4	Confident	80.1	Confident	57 Å²	57	53.5 Å²	53.5	35%	0.345	30%	0.302	S	S	.	.	H	α-helix	trans	-60.3	-48.8	172.8	176.6	0	0	0	0	109.1	W271 E620 S626 I627	W271-V623 HydrophobicContact CH2-CB 4.47Å; W271-V623 HydrophobicContact CH2-CG2 3.22Å; W271-V623 HydrophobicContact CZ2-CG2 3.87Å; W271-V623 HydrophobicContact CZ3-CG2 3.98Å; E620-V623 HydrophobicContact CB-CG2 4.25Å; E620-V623 WeakPolarHBondContact O-CB 3.5Å; E620-V623 PolarHBondContact O-N 3.18Å; V623-S626 PolarHBondContact O-N 3.13Å; V623-S626 VanDerWaalsContact O-N 3.16Å; V623-I627 HydrophobicContact CG1-CD1 3.99Å; V623-I627 WeakPolarHBondContact O-CG1 3.44Å; V623-I627 PolarHBondContact O-N 3.43Å; V623-I627 VanDerWaalsContact O-N 3.11Å
624	L	88	Confident	81.2	Confident	13 Å²	13	54.3 Å²	54.3	7%	0.068	31%	0.306	C	S	.	.	H	α-helix	trans	-66.5	-41.8	-174.8	-172.6	56.4	0	0	0	111.9	L609 N610 L613 E620 A621 D622 S626 I627 T628	L609-L624 HydrophobicContact CB-CD1 4.15Å; N610-L624 HydrophobicContact CB-CD2 4.37Å; N610-L624 VanDerWaalsContact OD1-CG 3.22Å; N610-L624 WeakPolarHBondContact OD1-CG 3.37Å; L613-L624 HydrophobicContact CB-CD2 4.17Å; L613-L624 HydrophobicContact CD1-CD1 4.2Å; E620-L624 PolarHBondContact O-N 3.02Å; A621-L624 PolarHBondContact O-N 3.42Å; D622-L624 VanDerWaalsContact C-N 3.3Å; L624-S626 VanDerWaalsContact C-N 3.31Å; L624-S626 PolarHBondContact O-N 3.5Å; L624-I627 PolarHBondContact O-N 2.87Å; L624-T628 HydrophobicContact CD1-CG2 3.95Å; L624-T628 HydrophobicContact CG-CG2 4.37Å; L624-T628 WeakPolarHBondContact O-CB 3.48Å; L624-T628 VanDerWaalsContact O-CG2 3.26Å; L624-T628 WeakPolarHBondContact O-CG2 3.27Å; L624-T628 PolarHBondContact O-N 3.13Å; L624-T628 PolarHBondContact O-OG1 2.9Å
625	I	90.2	Very high	82.9	Confident	48 Å²	48	53.1 Å²	53.1	25%	0.246	29%	0.293	C	S	.	.	H	α-helix	trans	-62.7	-40	172.9	-69.4	166.6	0	0	0	111.1	T410 A621 I627 T628 A629	T410-I625 HydrophobicContact CG2-CG2 3.41Å; T410-I625 VanDerWaalsContact CG2-CG2 3.41Å; A621-I625 WeakPolarHBondContact O-CB 3.33Å; A621-I625 VanDerWaalsContact O-CG1 3.26Å; A621-I625 WeakPolarHBondContact O-CG1 3.37Å; A621-I625 PolarHBondContact O-N 3.01Å; I625-I627 PolarHBondContact O-N 3.23Å; I625-T628 PolarHBondContact O-N 3.41Å; I625-A629 VanDerWaalsContact O-CB 3.24Å; I625-A629 WeakPolarHBondContact O-CB 3.24Å; I625-A629 PolarHBondContact O-N 3.49Å
626	S	91.6	Very high	84.6	Confident	40 Å²	40	51.3 Å²	51.3	28%	0.28	28%	0.283	S	S	.	.	H	α-helix	trans	-67.1	-20.7	179.7	-55.2	0	0	0	0	113.2	R278 D622 V623 L624 P630	R278-S626 WeakPolarHBondContact CD-OG 3.48Å; R278-S626 PolarHBondContact NH1-OG 3.44Å; D622-S626 VanDerWaalsContact O-CB 3.28Å; D622-S626 WeakPolarHBondContact O-CB 3.38Å; D622-S626 PolarHBondContact O-N 2.8Å; D622-S626 PolarHBondContact O-OG 3.45Å; V623-S626 PolarHBondContact O-N 3.13Å; V623-S626 VanDerWaalsContact O-N 3.16Å; L624-S626 VanDerWaalsContact C-N 3.31Å; L624-S626 PolarHBondContact O-N 3.5Å; S626-P630 WeakPolarHBondContact O-CD 3.46Å; S626-P630 WeakPolarHBondContact O-CG 3.42Å
627	I	92	Very high	86.5	Confident	94 Å²	94	51.1 Å²	51.1	48%	0.482	27%	0.272	S	S	.	.	H	α-helix	trans	-92.6	-46.5	173.3	-64.7	167.6	0	0	0	111.3	V623 L624 I625 P630 L631	V623-I627 HydrophobicContact CG1-CD1 3.99Å; V623-I627 WeakPolarHBondContact O-CG1 3.44Å; V623-I627 PolarHBondContact O-N 3.43Å; V623-I627 VanDerWaalsContact O-N 3.11Å; L624-I627 PolarHBondContact O-N 2.87Å; I625-I627 PolarHBondContact O-N 3.23Å; I627-P630 WeakPolarHBondContact O-CD 3.31Å; I627-L631 HydrophobicContact CG2-CD1 4.17Å; I627-L631 WeakPolarHBondContact O-CG 3.46Å; I627-L631 PolarHBondContact O-N 3.49Å
628	T	93	Very high	88.4	Confident	13 Å²	13	44.1 Å²	44.1	8%	0.08	25%	0.247	C	C	.	.	H	α-helix	trans	-73.9	-29.3	-172.6	56.1	0	0	0	0	113.3	T606 N610 L624 I625 L631 E632	T606-T628 HydrophobicContact CG2-CG2 3.28Å; N610-T628 WeakPolarHBondContact OD1-CG2 3.43Å; L624-T628 HydrophobicContact CD1-CG2 3.95Å; L624-T628 HydrophobicContact CG-CG2 4.37Å; L624-T628 WeakPolarHBondContact O-CB 3.48Å; L624-T628 VanDerWaalsContact O-CG2 3.26Å; L624-T628 WeakPolarHBondContact O-CG2 3.27Å; L624-T628 PolarHBondContact O-N 3.13Å; L624-T628 PolarHBondContact O-OG1 2.9Å; I625-T628 PolarHBondContact O-N 3.41Å; T628-L631 PolarHBondContact O-N 2.98Å; T628-E632 PolarHBondContact O-N 3.08Å
629	A	94.8	Very high	90.6	Very high	4 Å²	4	37.8 Å²	37.8	3%	0.033	21%	0.214	C	C	.	.	H	α-helix	trans	-67.1	-46.9	176.8	0	0	0	0	0	112.9	I282 T410 I625 L631 E632 C633	I282-A629 HydrophobicContact CD1-CB 3.56Å; I282-A629 HydrophobicContact CG1-CB 4.27Å; T410-A629 HydrophobicContact CG2-CB 4.07Å; I625-A629 VanDerWaalsContact O-CB 3.24Å; I625-A629 WeakPolarHBondContact O-CB 3.24Å; I625-A629 PolarHBondContact O-N 3.49Å; A629-L631 VanDerWaalsContact C-N 3.3Å; A629-L631 PolarHBondContact O-N 3.28Å; A629-E632 PolarHBondContact O-N 3.08Å; A629-C633 PolarHBondContact O-N 2.93Å
630	P	95.7	Very high	92.5	Very high	56 Å²	56	36.3 Å²	36.3	36%	0.364	20%	0.201	S	C	.	.	H	α-helix	trans	-57.7	-37.5	169.4	-28.4	35.4	0	0	0	114.3	S626 I627 E632 C633 I634	S626-P630 WeakPolarHBondContact O-CD 3.46Å; S626-P630 WeakPolarHBondContact O-CG 3.42Å; I627-P630 WeakPolarHBondContact O-CD 3.31Å; P630-E632 VanDerWaalsContact C-N 3.34Å; P630-C633 WeakPolarHBondContact O-CB 3.47Å; P630-C633 PolarHBondContact O-N 3.46Å; P630-I634 WeakPolarHBondContact O-CG1 3.47Å; P630-I634 PolarHBondContact O-N 2.84Å
631	L	96.1	Very high	93.5	Very high	51 Å²	51	34 Å²	34	27%	0.267	19%	0.189	S	C	.	.	H	α-helix	trans	-63.2	-40.4	175.3	-69.7	175.2	0	0	0	111.9	L603 T606 I627 T628 A629 C633 I634 R635	L603-L631 HydrophobicContact CD2-CB 3.96Å; L603-L631 HydrophobicContact CD2-CD2 3.95Å; L603-L631 HydrophobicContact CD2-CG 4.47Å; T606-L631 HydrophobicContact CG2-CD1 4.37Å; I627-L631 HydrophobicContact CG2-CD1 4.17Å; I627-L631 WeakPolarHBondContact O-CG 3.46Å; I627-L631 PolarHBondContact O-N 3.49Å; T628-L631 PolarHBondContact O-N 2.98Å; A629-L631 VanDerWaalsContact C-N 3.3Å; A629-L631 PolarHBondContact O-N 3.28Å; L631-C633 VanDerWaalsContact C-N 3.34Å; L631-I634 PolarHBondContact O-N 3.31Å; L631-R635 PolarHBondContact O-N 3.37Å
632	E	96.4	Very high	94.3	Very high	47 Å²	47	31.6 Å²	31.6	22%	0.22	17%	0.167	C	C	.	.	H	α-helix	trans	-65.4	-36.3	174.2	176.3	54.6	-153.5	0	0	112	S407 T628 A629 P630 R635 R636	S407-E632 WeakPolarHBondContact CB-OE1 3.46Å; S407-E632 PolarHBondContact OG-OE1 3.16Å; T628-E632 PolarHBondContact O-N 3.08Å; A629-E632 PolarHBondContact O-N 3.08Å; P630-E632 VanDerWaalsContact C-N 3.34Å; E632-R635 WeakPolarHBondContact O-CB 3.28Å; E632-R635 PolarHBondContact O-N 3.19Å; E632-R635 IonicContact OE1-CZ 2.84Å; E632-R635 IonicContact OE1-NE 2.74Å; E632-R635 PolarHBondContact OE1-NE 3.13Å; E632-R635 IonicContact OE1-NH2 3.94Å; E632-R635 PolarHBondContact OE1-NH2 3.35Å; E632-R635 IonicContact OE2-CZ 3.04Å; E632-R635 IonicContact OE2-NE 2.85Å; E632-R635 PolarHBondContact OE2-NE 2.81Å; E632-R635 IonicContact OE2-NH2 3.7Å; E632-R636 WeakPolarHBondContact O-CB 3.01Å; E632-R636 PolarHBondContact O-N 3.21Å
633	C	97.3	Very high	94.8	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.02	17%	0.168	C	C	.	.	H	α-helix	trans	-61.3	-45.1	170.8	-72.2	0	0	0	0	112.4	Q286 L289 A629 P630 L631 R635 R636 F637	Q286-C633 VanDerWaalsContact OE1-CA 3.31Å; Q286-C633 PolarHBondContact OE1-SG 2.92Å; L289-C633 HydrophobicContact CD1-CB 4.09Å; A629-C633 PolarHBondContact O-N 2.93Å; P630-C633 WeakPolarHBondContact O-CB 3.47Å; P630-C633 PolarHBondContact O-N 3.46Å; L631-C633 VanDerWaalsContact C-N 3.34Å; C633-R635 VanDerWaalsContact C-N 3.34Å; C633-R635 PolarHBondContact O-N 2.88Å; C633-R636 PolarHBondContact O-N 3.21Å; C633-F637 WeakPolarHBondContact O-CB 3.44Å; C633-F637 PolarHBondContact O-N 3.37Å
634	I	97.2	Very high	95.1	Very high	74 Å²	74	29.5 Å²	29.5	38%	0.379	15%	0.152	S	C	.	.	H	α-helix	trans	-62.2	-42.9	176	-68.1	166.2	0	0	0	110.6	L603 P630 L631 R636 F637 I638	L603-I634 HydrophobicContact CD1-CG2 4.27Å; P630-I634 WeakPolarHBondContact O-CG1 3.47Å; P630-I634 PolarHBondContact O-N 2.84Å; L631-I634 PolarHBondContact O-N 3.31Å; I634-R636 VanDerWaalsContact C-N 3.34Å; I634-R636 PolarHBondContact O-N 3.26Å; I634-F637 WeakPolarHBondContact O-CB 3.43Å; I634-F637 PolarHBondContact O-N 3.05Å; I634-I638 HydrophobicContact CG2-CD1 4.24Å; I634-I638 WeakPolarHBondContact O-CG1 3.34Å; I634-I638 PolarHBondContact O-N 2.95Å
635	R	97.8	Very high	95	Very high	1 Å²	1	28.9 Å²	28.9	0%	0.004	15%	0.149	C	C	.	.	H	α-helix	trans	-58.5	-47.2	175.5	-165	-162.6	64	67.8	3.4	111.3	D563 D600 L603 R604 L631 E632 C633 F637 I638 W639	D563-R635 IonicContact OD2-NH1 3.6Å; D563-R635 PolarHBondContact OD2-NH1 3.31Å; D600-R635 WeakPolarHBondContact OD1-CD 3.26Å; D600-R635 WeakPolarHBondContact OD1-CG 3.27Å; D600-R635 IonicContact OD1-NH1 2.75Å; D600-R635 PolarHBondContact OD1-NH1 2.98Å; L603-R635 HydrophobicContact CB-CB 3.81Å; L603-R635 HydrophobicContact CB-CG 3.65Å; L603-R635 HydrophobicContact CD1-CB 3.85Å; L603-R635 HydrophobicContact CD1-CG 4.13Å; L603-R635 HydrophobicContact CG-CB 4.37Å; R604-R635 VanDerWaalsContact NE-NH1 3.12Å; L631-R635 PolarHBondContact O-N 3.37Å; E632-R635 WeakPolarHBondContact O-CB 3.28Å; E632-R635 PolarHBondContact O-N 3.19Å; E632-R635 IonicContact OE1-CZ 2.84Å; E632-R635 IonicContact OE1-NE 2.74Å; E632-R635 PolarHBondContact OE1-NE 3.13Å; E632-R635 IonicContact OE1-NH2 3.94Å; E632-R635 PolarHBondContact OE1-NH2 3.35Å; E632-R635 IonicContact OE2-CZ 3.04Å; E632-R635 IonicContact OE2-NE 2.85Å; E632-R635 PolarHBondContact OE2-NE 2.81Å; E632-R635 IonicContact OE2-NH2 3.7Å; C633-R635 VanDerWaalsContact C-N 3.34Å; C633-R635 PolarHBondContact O-N 2.88Å; R635-F637 VanDerWaalsContact C-N 3.31Å; R635-F637 PolarHBondContact O-N 2.98Å; R635-I638 PolarHBondContact O-N 2.92Å; R635-W639 WeakPolarHBondContact O-CB 3.46Å; R635-W639 PolarHBondContact O-N 3.07Å
636	R	97.7	Very high	95	Very high	8 Å²	8	26.8 Å²	26.8	3%	0.03	14%	0.138	C	C	.	.	H	α-helix	trans	-62.4	-38	176.7	-176.5	55.9	61.2	174.7	7.8	112.4	D403 S407 E632 C633 I634 W639 N640	D403-R636 PolarHBondContact O-NE 3.32Å; D403-R636 PolarHBondContact O-NH2 2.9Å; S407-R636 WeakPolarHBondContact OG-CB 3.31Å; S407-R636 PolarHBondContact OG-NE 3.37Å; S407-R636 PolarHBondContact OG-NH2 3.4Å; E632-R636 WeakPolarHBondContact O-CB 3.01Å; E632-R636 PolarHBondContact O-N 3.21Å; C633-R636 PolarHBondContact O-N 3.21Å; I634-R636 VanDerWaalsContact C-N 3.34Å; I634-R636 PolarHBondContact O-N 3.26Å; R636-W639 VanDerWaalsContact NH1-CE3 3.32Å; R636-W639 PolarHBondContact O-N 3.23Å; R636-N640 WeakPolarHBondContact O-CB 3.46Å; R636-N640 VanDerWaalsContact O-CG 3.25Å; R636-N640 PolarHBondContact O-N 3.43Å; R636-N640 PolarHBondContact O-ND2 2.99Å
637	F	98	Very high	94.8	Very high	50 Å²	50	26.2 Å²	26.2	22%	0.219	13%	0.131	C	C	.	.	H	α-helix	trans	-57.7	-50.9	173.5	161.7	-97.1	0	0	0	111.4	L289 V292 N293 C633 I634 R635 W639 N640 Y641	L289-F637 HydrophobicContact CB-CB 4.15Å; L289-F637 HydrophobicContact CB-CD2 3.97Å; L289-F637 HydrophobicContact CB-CG 4.35Å; L289-F637 HydrophobicContact CD1-CB 4.1Å; L289-F637 HydrophobicContact CD2-CB 4.38Å; L289-F637 HydrophobicContact CD2-CD2 4.08Å; L289-F637 HydrophobicContact CD2-CG 4.13Å; L289-F637 HydrophobicContact CG-CB 4.44Å; L289-F637 WeakPolarHBondContact O-CD2 3.41Å; V292-F637 HydrophobicContact CB-CE2 3.98Å; V292-F637 HydrophobicContact CG1-CE2 3.78Å; V292-F637 HydrophobicContact CG1-CZ 4.01Å; N293-F637 HydrophobicContact CB-CE2 4.43Å; N293-F637 VanDerWaalsContact CG-CD2 3.49Å; N293-F637 WeakPolarHBondContact ND2-CD2 3.33Å; N293-F637 PolarHBondContact ND2-O 3.43Å; N293-F637 WeakPolarHBondContact OD1-CD2 3.47Å; N293-F637 WeakPolarHBondContact OD1-CE2 3.24Å; N293-F637 PolarHBondContact OD1-O 3.39Å; C633-F637 WeakPolarHBondContact O-CB 3.44Å; C633-F637 PolarHBondContact O-N 3.37Å; I634-F637 WeakPolarHBondContact O-CB 3.43Å; I634-F637 PolarHBondContact O-N 3.05Å; R635-F637 VanDerWaalsContact C-N 3.31Å; R635-F637 PolarHBondContact O-N 2.98Å; F637-W639 PolarHBondContact O-N 2.95Å; F637-N640 PolarHBondContact O-N 2.88Å; F637-Y641 PolarHBondContact O-N 3.31Å
638	I	97.9	Very high	94.2	Very high	29 Å²	29	21.8 Å²	21.8	15%	0.149	11%	0.108	C	C	.	.	H	α-helix	trans	-60	-47.9	176.3	-63.1	169.4	0	0	0	110.1	W568 A596 A599 L603 I634 R635 N640 Y641 F642	W568-I638 HydrophobicContact CH2-CG2 4.21Å; W568-I638 HydrophobicContact CZ2-CG2 4.13Å; A596-I638 HydrophobicContact CB-CG2 3.88Å; A599-I638 HydrophobicContact CB-CD1 4.06Å; L603-I638 HydrophobicContact CD1-CD1 4.01Å; I634-I638 HydrophobicContact CG2-CD1 4.24Å; I634-I638 WeakPolarHBondContact O-CG1 3.34Å; I634-I638 PolarHBondContact O-N 2.95Å; R635-I638 PolarHBondContact O-N 2.92Å; I638-N640 VanDerWaalsContact C-N 3.33Å; I638-N640 PolarHBondContact O-N 2.97Å; I638-Y641 WeakPolarHBondContact O-CB 3.43Å; I638-Y641 PolarHBondContact O-N 2.9Å; I638-Y641 VanDerWaalsContact O-N 3.15Å; I638-F642 HydrophobicContact CG2-CD2 4.09Å; I638-F642 HydrophobicContact CG2-CE2 3.97Å; I638-F642 WeakPolarHBondContact O-CD2 3.49Å; I638-F642 PolarHBondContact O-N 3Å
639	W	98	Very high	93.3	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.008	11%	0.111	C	C	.	.	H	α-helix	trans	-56.7	-45.8	179.4	179.4	96.3	0	0	0	112	D403 D563 D567 W568 R635 R636 F637 Y641 R643	D403-W639 HydrophobicContact CB-CH2 4.06Å; D403-W639 HydrophobicContact CB-CZ3 4.37Å; D563-W639 PolarHBondContact OD1-NE1 3.35Å; D567-W639 HydrophobicContact CB-CZ2 4.16Å; D567-W639 VanDerWaalsContact OD2-CZ2 3.28Å; D567-W639 WeakPolarHBondContact OD2-CZ2 3.44Å; D567-W639 PolarHBondContact OD2-NE1 3.34Å; W568-W639 AromaticContact NE1-CD1 3.84Å; W568-W639 PolarHBondContact NE1-O 2.91Å; R635-W639 WeakPolarHBondContact O-CB 3.46Å; R635-W639 PolarHBondContact O-N 3.07Å; R636-W639 VanDerWaalsContact NH1-CE3 3.32Å; R636-W639 PolarHBondContact O-N 3.23Å; F637-W639 PolarHBondContact O-N 2.95Å; W639-Y641 VanDerWaalsContact C-N 3.31Å; W639-Y641 PolarHBondContact O-N 3.05Å; W639-R643 HydrophobicContact CD2-CB 4.13Å; W639-R643 HydrophobicContact CE3-CB 4.08Å; W639-R643 HydrophobicContact CE3-CG 4.37Å; W639-R643 HydrophobicContact CH2-CB 4.19Å; W639-R643 HydrophobicContact CH2-CG 3.59Å; W639-R643 HydrophobicContact CZ2-CB 4.22Å; W639-R643 HydrophobicContact CZ2-CG 3.79Å; W639-R643 HydrophobicContact CZ3-CB 4.1Å; W639-R643 HydrophobicContact CZ3-CG 3.89Å; W639-R643 WeakPolarHBondContact O-CB 3.25Å; W639-R643 PolarHBondContact O-N 2.81Å
640	N	98	Very high	92.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-58.2	-44.5	178	-80.9	-26.9	0	0	0	111	N293 W297 W400 Q404 R636 F637 I638 F642 R643 L644	N293-N640 WeakPolarHBondContact ND2-CB 3.4Å; W297-N640 HydrophobicContact CH2-CB 4.48Å; W297-N640 HydrophobicContact CZ2-CB 4.08Å; W297-N640 WeakPolarHBondContact CZ2-O 3.33Å; W400-N640 PolarHBondContact NE1-OD1 2.92Å; Q404-N640 PolarHBondContact NE2-ND2 2.56Å; Q404-N640 PolarHBondContact NE2-OD1 3.13Å; Q404-N640 PolarHBondContact OE1-ND2 3.24Å; R636-N640 WeakPolarHBondContact O-CB 3.46Å; R636-N640 VanDerWaalsContact O-CG 3.25Å; R636-N640 PolarHBondContact O-N 3.43Å; R636-N640 PolarHBondContact O-ND2 2.99Å; F637-N640 PolarHBondContact O-N 2.88Å; I638-N640 VanDerWaalsContact C-N 3.33Å; I638-N640 PolarHBondContact O-N 2.97Å; N640-F642 PolarHBondContact O-N 3.39Å; N640-R643 PolarHBondContact O-N 3.38Å; N640-L644 PolarHBondContact O-N 3.15Å
641	Y	95.2	Very high	90.7	Very high	47 Å²	47	23.6 Å²	23.6	18%	0.184	11%	0.113	C	C	.	.	H	α-helix	trans	-55.1	-53.7	-176.6	-159.1	-110	0	0	0	111.8	N293 G296 W297 Y587 F637 I638 W639 E645	N293-Y641 WeakPolarHBondContact OD1-CD2 3.22Å; G296-Y641 PolarHBondContact O-OH 2.96Å; W297-Y641 AromaticContact NE1-CD2 3.93Å; W297-Y641 PolarHBondContact NE1-O 3.46Å; Y587-Y641 AromaticContact CD1-CE1 3.96Å; Y587-Y641 HydrophobicContact CD1-CE1 3.96Å; Y587-Y641 HydrophobicContact CD2-CD1 4.45Å; Y587-Y641 HydrophobicContact CD2-CE1 4.06Å; Y587-Y641 HydrophobicContact CE1-CD1 4.26Å; Y587-Y641 AromaticContact CE1-CE1 3.35Å; Y587-Y641 HydrophobicContact CE1-CE1 3.35Å; Y587-Y641 HydrophobicContact CE1-CE2 4.47Å; Y587-Y641 AromaticContact CE1-CZ 3.47Å; Y587-Y641 VanDerWaalsContact CE1-CZ 3.47Å; Y587-Y641 VanDerWaalsContact CE1-OH 3.27Å; Y587-Y641 WeakPolarHBondContact CE1-OH 3.42Å; Y587-Y641 AromaticContact CE2-CD1 3.64Å; Y587-Y641 HydrophobicContact CE2-CD1 3.64Å; Y587-Y641 AromaticContact CE2-CE1 3.47Å; Y587-Y641 HydrophobicContact CE2-CE1 3.47Å; Y587-Y641 VanDerWaalsContact CE2-CE1 3.47Å; Y587-Y641 HydrophobicContact CG-CE1 4.29Å; Y587-Y641 AromaticContact CZ-CD1 3.53Å; Y587-Y641 AromaticContact CZ-CE1 3.08Å; Y587-Y641 AromaticContact CZ-CZ 3.53Å; Y587-Y641 WeakPolarHBondContact OH-CD1 3.32Å; Y587-Y641 VanDerWaalsContact OH-CE1 3.29Å; Y587-Y641 WeakPolarHBondContact OH-CE1 3.45Å; Y587-Y641 PolarHBondContact OH-O 2.87Å; Y587-Y641 VanDerWaalsContact OH-O 3.12Å; F637-Y641 PolarHBondContact O-N 3.31Å; I638-Y641 WeakPolarHBondContact O-CB 3.43Å; I638-Y641 PolarHBondContact O-N 2.9Å; I638-Y641 VanDerWaalsContact O-N 3.15Å; W639-Y641 VanDerWaalsContact C-N 3.31Å; W639-Y641 PolarHBondContact O-N 3.05Å; Y641-E645 PolarHBondContact O-N 3.36Å
642	F	95.4	Very high	88.5	Confident	12 Å²	12	22.3 Å²	22.3	5%	0.053	11%	0.109	C	C	.	.	H	α-helix	trans	-80.8	-30.1	-178.7	-63.9	-77.9	0	0	0	114	W568 Y587 Y593 A596 I638 N640 E645 N646	W568-F642 HydrophobicContact CB-CB 4.45Å; W568-F642 HydrophobicContact CD2-CB 3.89Å; W568-F642 HydrophobicContact CD2-CG 4.41Å; W568-F642 HydrophobicContact CG-CB 3.73Å; W568-F642 HydrophobicContact CZ2-CD2 4.23Å; Y587-F642 HydrophobicContact CD2-CD1 4.09Å; Y587-F642 AromaticContact CD2-CE1 3.81Å; Y587-F642 HydrophobicContact CD2-CE1 3.81Å; Y587-F642 AromaticContact CE2-CD1 3.89Å; Y587-F642 HydrophobicContact CE2-CD1 3.89Å; Y587-F642 AromaticContact CE2-CE1 3.97Å; Y587-F642 HydrophobicContact CE2-CE1 3.97Å; Y593-F642 AromaticContact CD1-CD1 3.66Å; Y593-F642 HydrophobicContact CD1-CD1 3.66Å; Y593-F642 AromaticContact CD1-CE1 3.55Å; Y593-F642 HydrophobicContact CD1-CE1 3.55Å; Y593-F642 AromaticContact CE1-CD1 3.62Å; Y593-F642 HydrophobicContact CE1-CD1 3.62Å; Y593-F642 AromaticContact CE1-CE1 3.69Å; Y593-F642 HydrophobicContact CE1-CE1 3.69Å; Y593-F642 HydrophobicContact CG-CE1 4.06Å; A596-F642 HydrophobicContact CB-CD2 3.88Å; A596-F642 HydrophobicContact CB-CE2 3.21Å; A596-F642 HydrophobicContact CB-CZ 3.63Å; I638-F642 HydrophobicContact CG2-CD2 4.09Å; I638-F642 HydrophobicContact CG2-CE2 3.97Å; I638-F642 WeakPolarHBondContact O-CD2 3.49Å; I638-F642 PolarHBondContact O-N 3Å; N640-F642 PolarHBondContact O-N 3.39Å; F642-E645 PolarHBondContact O-N 2.91Å; F642-N646 PolarHBondContact O-N 2.65Å
643	R	94.9	Very high	85.8	Confident	27 Å²	27	22.5 Å²	22.5	10%	0.102	12%	0.123	C	C	.	.	H	α-helix	trans	-60.9	-47.5	175	175.5	73.5	-168	119.6	12.2	111	D567 W639 N640 E645 N646 E647	D567-R643 WeakPolarHBondContact O-CD 3.46Å; D567-R643 PolarHBondContact O-NH1 3.08Å; D567-R643 VanDerWaalsContact O-NH1 3.13Å; D567-R643 IonicContact OD1-NE 3.22Å; W639-R643 HydrophobicContact CD2-CB 4.13Å; W639-R643 HydrophobicContact CE3-CB 4.08Å; W639-R643 HydrophobicContact CE3-CG 4.37Å; W639-R643 HydrophobicContact CH2-CB 4.19Å; W639-R643 HydrophobicContact CH2-CG 3.59Å; W639-R643 HydrophobicContact CZ2-CB 4.22Å; W639-R643 HydrophobicContact CZ2-CG 3.79Å; W639-R643 HydrophobicContact CZ3-CB 4.1Å; W639-R643 HydrophobicContact CZ3-CG 3.89Å; W639-R643 WeakPolarHBondContact O-CB 3.25Å; W639-R643 PolarHBondContact O-N 2.81Å; N640-R643 PolarHBondContact O-N 3.38Å; R643-E645 VanDerWaalsContact C-N 3.33Å; R643-N646 WeakPolarHBondContact O-CB 3.28Å; R643-N646 PolarHBondContact O-N 3Å; R643-E647 IonicContact CZ-OE2 2.72Å; R643-E647 IonicContact NH1-OE2 3.21Å; R643-E647 IonicContact NH2-OE2 3.33Å; R643-E647 PolarHBondContact NH2-OE2 3.08Å; R643-E647 PolarHBondContact O-N 3.06Å
644	L	92.7	Very high	83.1	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-69	-34.6	-178.2	-120.7	78.8	0	0	0	112.2	W297 H304 I307 F308 F396 N640 E647 H648	W297-L644 HydrophobicContact CD2-CB 4.41Å; W297-L644 HydrophobicContact CD2-CD2 3.67Å; W297-L644 HydrophobicContact CE3-CD2 3.63Å; W297-L644 HydrophobicContact CG-CD2 4.46Å; W297-L644 HydrophobicContact CH2-CD1 4.34Å; W297-L644 HydrophobicContact CH2-CD2 3.66Å; W297-L644 HydrophobicContact CH2-CG 4.41Å; W297-L644 HydrophobicContact CZ2-CB 3.79Å; W297-L644 HydrophobicContact CZ2-CD1 4.21Å; W297-L644 HydrophobicContact CZ2-CD2 3.64Å; W297-L644 HydrophobicContact CZ2-CG 4.07Å; W297-L644 HydrophobicContact CZ3-CD2 3.65Å; H304-L644 HydrophobicContact CB-CD2 3.55Å; I307-L644 HydrophobicContact CD1-CG 4.42Å; I307-L644 HydrophobicContact CG2-CG 4.37Å; F308-L644 HydrophobicContact CD2-CD2 4.34Å; F308-L644 HydrophobicContact CE2-CD1 4.08Å; F308-L644 HydrophobicContact CE2-CD2 3.6Å; F308-L644 HydrophobicContact CE2-CG 4.44Å; F308-L644 HydrophobicContact CZ-CD1 3.87Å; F308-L644 HydrophobicContact CZ-CD2 4.25Å; F396-L644 HydrophobicContact CE1-CD1 4Å; F396-L644 HydrophobicContact CZ-CD1 3.84Å; N640-L644 PolarHBondContact O-N 3.15Å; L644-E647 PolarHBondContact O-N 2.98Å; L644-H648 VanDerWaalsContact O-CB 3.3Å; L644-H648 WeakPolarHBondContact O-CB 3.35Å; L644-H648 PolarHBondContact O-N 3.08Å
645	E	86.2	Confident	80.2	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-61.3	-44.8	171.8	-165	-154.1	165.1	0	0	111.5	R582 V586 Y587 Y593 Y641 F642 R643 H648 L649	R582-E645 IonicContact CZ-OE2 3.12Å; R582-E645 IonicContact NH2-OE1 2.81Å; R582-E645 PolarHBondContact NH2-OE1 3.4Å; R582-E645 IonicContact NH2-OE2 2.69Å; R582-E645 PolarHBondContact NH2-OE2 3.47Å; V586-E645 HydrophobicContact CB-CG 3.77Å; V586-E645 VanDerWaalsContact CB-OE1 3.31Å; V586-E645 WeakPolarHBondContact CB-OE1 3.32Å; V586-E645 HydrophobicContact CG2-CG 3.63Å; V586-E645 PolarHBondContact N-OE1 3.25Å; Y587-E645 HydrophobicContact CD2-CG 4.47Å; Y587-E645 WeakPolarHBondContact CD2-OE2 3.32Å; Y587-E645 HydrophobicContact CE2-CB 3.99Å; Y587-E645 HydrophobicContact CE2-CG 3.86Å; Y587-E645 WeakPolarHBondContact CE2-OE2 3.03Å; Y593-E645 WeakPolarHBondContact CE1-OE2 3.23Å; Y593-E645 VanDerWaalsContact OH-CD 3.24Å; Y593-E645 PolarHBondContact OH-OE1 3.32Å; Y593-E645 PolarHBondContact OH-OE2 3.34Å; Y641-E645 PolarHBondContact O-N 3.36Å; F642-E645 PolarHBondContact O-N 2.91Å; R643-E645 VanDerWaalsContact C-N 3.33Å; E645-H648 WeakPolarHBondContact O-CB 3.19Å; E645-H648 PolarHBondContact O-N 3.27Å; E645-L649 HydrophobicContact CG-CD1 4.45Å; E645-L649 WeakPolarHBondContact O-CG 3.45Å; E645-L649 PolarHBondContact O-N 3.01Å
646	N	90.1	Very high	76.8	Confident	4 Å²	4	40.6 Å²	40.6	2%	0.021	20%	0.197	C	C	.	.	H	α-helix	trans	-62.1	-44.4	176.3	-168.9	34	0	0	0	111.7	M566 D567 G569 R582 F642 R643 H648 L649 N650	M566-N646 PolarHBondContact O-ND2 3.01Å; D567-N646 WeakPolarHBondContact O-CB 3.32Å; D567-N646 PolarHBondContact O-ND2 3.11Å; G569-N646 PolarHBondContact N-ND2 3.49Å; R582-N646 VanDerWaalsContact NH1-CB 3.25Å; R582-N646 PolarHBondContact NH1-OD1 3.43Å; F642-N646 PolarHBondContact O-N 2.65Å; R643-N646 WeakPolarHBondContact O-CB 3.28Å; R643-N646 PolarHBondContact O-N 3Å; N646-H648 VanDerWaalsContact C-N 3.34Å; N646-H648 PolarHBondContact O-N 3.43Å; N646-L649 PolarHBondContact O-N 3.43Å; N646-N650 WeakPolarHBondContact O-CB 3.39Å; N646-N650 VanDerWaalsContact O-CG 3.31Å; N646-N650 PolarHBondContact O-N 3.46Å; N646-N650 PolarHBondContact O-ND2 2.85Å; N646-N650 PolarHBondContact OD1-ND2 3.3Å
647	E	86.6	Confident	73.6	Confident	28 Å²	28	40.5 Å²	40.5	13%	0.131	20%	0.197	C	C	.	.	H	α-helix	trans	-63.1	-41.4	176.5	-166.7	69.6	-155.4	0	0	111.7	I307 F396 R643 L644 N650 N651	I307-E647 HydrophobicContact CG2-CG 4Å; F396-E647 HydrophobicContact CD2-CG 3.95Å; F396-E647 HydrophobicContact CE2-CB 4.09Å; F396-E647 HydrophobicContact CE2-CG 3.46Å; F396-E647 VanDerWaalsContact CE2-CG 3.46Å; F396-E647 HydrophobicContact CZ-CB 4.46Å; F396-E647 HydrophobicContact CZ-CG 4.16Å; R643-E647 IonicContact CZ-OE2 2.72Å; R643-E647 IonicContact NH1-OE2 3.21Å; R643-E647 IonicContact NH2-OE2 3.33Å; R643-E647 PolarHBondContact NH2-OE2 3.08Å; R643-E647 PolarHBondContact O-N 3.06Å; L644-E647 PolarHBondContact O-N 2.98Å; E647-N650 PolarHBondContact O-N 3.17Å; E647-N651 WeakPolarHBondContact O-CB 3.47Å; E647-N651 VanDerWaalsContact O-CG 3.29Å; E647-N651 PolarHBondContact O-N 2.87Å; E647-N651 PolarHBondContact O-ND2 3.33Å
648	H	79.5	Confident	70.8	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.009	21%	0.205	C	C	.	.	H	α-helix	trans	-58.3	-50.4	175.4	179.2	71.7	0	0	0	111.5	V302 I307 L644 E645 N646 N650 N651 C652	V302-H648 HydrophobicContact CG1-CB 4.01Å; I307-H648 HydrophobicContact CD1-CB 3.75Å; L644-H648 VanDerWaalsContact O-CB 3.3Å; L644-H648 WeakPolarHBondContact O-CB 3.35Å; L644-H648 PolarHBondContact O-N 3.08Å; E645-H648 WeakPolarHBondContact O-CB 3.19Å; E645-H648 PolarHBondContact O-N 3.27Å; N646-H648 VanDerWaalsContact C-N 3.34Å; N646-H648 PolarHBondContact O-N 3.43Å; H648-N650 PolarHBondContact O-N 2.9Å; H648-N651 PolarHBondContact O-N 2.83Å; H648-C652 VanDerWaalsContact CE1-SG 3.6Å; H648-C652 PolarHBondContact O-N 2.94Å; H648-C652 PolarHBondContact O-SG 3.36Å; H648-C652 VanDerWaalsContact O-SG 3.35Å
649	L	73.6	Confident	68.1	Low	25 Å²	25	42.7 Å²	42.7	13%	0.131	21%	0.209	C	C	.	.	H	α-helix	trans	-64.2	-40.3	179.8	-69.8	169.9	0	0	0	112.1	R582 E584 V586 E645 N646 N651 C652 G653	R582-L649 VanDerWaalsContact CZ-CD1 3.42Å; E584-L649 HydrophobicContact CB-CD1 4.46Å; E584-L649 HydrophobicContact CB-CD2 4.13Å; E584-L649 VanDerWaalsContact O-CD1 3.25Å; E584-L649 WeakPolarHBondContact O-CD1 3.42Å; V586-L649 HydrophobicContact CG2-CD1 4.31Å; V586-L649 HydrophobicContact CG2-CD2 3.94Å; V586-L649 HydrophobicContact CG2-CG 4.16Å; E645-L649 HydrophobicContact CG-CD1 4.45Å; E645-L649 WeakPolarHBondContact O-CG 3.45Å; E645-L649 PolarHBondContact O-N 3.01Å; N646-L649 PolarHBondContact O-N 3.43Å; L649-N651 VanDerWaalsContact C-N 3.35Å; L649-C652 PolarHBondContact O-N 3.33Å; L649-G653 PolarHBondContact O-N 3.02Å
650	N	72.1	Confident	65.3	Low	70 Å²	70	44.4 Å²	44.4	37%	0.374	22%	0.218	S	C	.	.	H	α-helix	trans	-63.1	-41.2	173.7	-74.2	-38.5	0	0	0	111.6	N646 E647 H648 G653 Q654	N646-N650 WeakPolarHBondContact O-CB 3.39Å; N646-N650 VanDerWaalsContact O-CG 3.31Å; N646-N650 PolarHBondContact O-N 3.46Å; N646-N650 PolarHBondContact O-ND2 2.85Å; N646-N650 PolarHBondContact OD1-ND2 3.3Å; E647-N650 PolarHBondContact O-N 3.17Å; H648-N650 PolarHBondContact O-N 2.9Å; N650-G653 PolarHBondContact O-N 3.4Å; N650-Q654 WeakPolarHBondContact O-CB 3.3Å; N650-Q654 VanDerWaalsContact O-CG 3.26Å; N650-Q654 WeakPolarHBondContact O-CG 3.09Å; N650-Q654 PolarHBondContact O-N 2.69Å
651	N	65.1	Low	62.7	Low	15 Å²	15	44.8 Å²	44.8	8%	0.08	22%	0.221	C	C	.	.	H	α-helix	trans	-67.1	-40.7	176	-75.5	-23.5	0	0	0	112.5	E647 H648 L649 Q654 F655 R656 A657	E647-N651 WeakPolarHBondContact O-CB 3.47Å; E647-N651 VanDerWaalsContact O-CG 3.29Å; E647-N651 PolarHBondContact O-N 2.87Å; E647-N651 PolarHBondContact O-ND2 3.33Å; H648-N651 PolarHBondContact O-N 2.83Å; L649-N651 VanDerWaalsContact C-N 3.35Å; N651-Q654 CarbonylContact O-C 3.39Å; N651-Q654 PolarHBondContact O-N 2.66Å; N651-F655 PolarHBondContact O-N 3.4Å; N651-R656 HydrophobicContact CB-CB 4.25Å; N651-R656 PolarHBondContact O-N 3.29Å; N651-R656 VanDerWaalsContact OD1-CZ 3.23Å; N651-R656 PolarHBondContact OD1-NE 3.44Å; N651-R656 PolarHBondContact OD1-NH2 3.45Å; N651-A657 HydrophobicContact CB-CB 3.84Å; N651-A657 PolarHBondContact O-N 2.97Å
652	C	49.7	Very low	60	Low	25 Å²	25	45.9 Å²	45.9	17%	0.169	24%	0.235	C	C	.	.	H	α-helix	trans	-63.9	-42	172.9	-69.9	0	0	0	0	111.7	H648 L649 Q654 F655 A657	H648-C652 VanDerWaalsContact CE1-SG 3.6Å; H648-C652 PolarHBondContact O-N 2.94Å; H648-C652 PolarHBondContact O-SG 3.36Å; H648-C652 VanDerWaalsContact O-SG 3.35Å; L649-C652 PolarHBondContact O-N 3.33Å; C652-Q654 VanDerWaalsContact C-N 3.29Å; C652-Q654 PolarHBondContact O-N 3.36Å; C652-F655 PolarHBondContact O-N 2.92Å; C652-A657 WeakPolarHBondContact CA-O 3.44Å; C652-A657 PolarHBondContact SG-O 2.9Å
653	G	39.8	Very low	57.3	Low	50 Å²	50	45.8 Å²	45.8	52%	0.515	24%	0.235	S	C	.	.	H	α-helix	trans	-64.8	-31	176.2	0	0	0	0	0	113.5	L649 N650	L649-G653 PolarHBondContact O-N 3.02Å; N650-G653 PolarHBondContact O-N 3.4Å
654	Q	39.3	Very low	54.7	Low	136 Å²	136	50.8 Å²	50.8	64%	0.636	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	5.8	172.8	-62.7	-63	-43.4	0	0	113.3	N650 N651 C652 R656	N650-Q654 WeakPolarHBondContact O-CB 3.3Å; N650-Q654 VanDerWaalsContact O-CG 3.26Å; N650-Q654 WeakPolarHBondContact O-CG 3.09Å; N650-Q654 PolarHBondContact O-N 2.69Å; N651-Q654 CarbonylContact O-C 3.39Å; N651-Q654 PolarHBondContact O-N 2.66Å; C652-Q654 VanDerWaalsContact C-N 3.29Å; C652-Q654 PolarHBondContact O-N 3.36Å; Q654-R656 HydrophobicContact CB-CG 4.3Å; Q654-R656 PolarHBondContact O-N 3.42Å
655	F	36.4	Very low	52.1	Low	159 Å²	159	54 Å²	54	70%	0.697	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	25.4	-178.8	-48.5	-81.6	0	0	0	115.1	N651 C652	N651-F655 PolarHBondContact O-N 3.4Å; C652-F655 PolarHBondContact O-N 2.92Å
656	R	27	Very low	50	Low	164 Å²	164	55.9 Å²	55.9	62%	0.619	29%	0.288	S	S	*	.	S	Bend	trans	-87.3	-17.6	174.9	-63.8	-167.2	-66.1	-157.9	-0.2	113.7	N651 Q654	N651-R656 HydrophobicContact CB-CB 4.25Å; N651-R656 PolarHBondContact O-N 3.29Å; N651-R656 VanDerWaalsContact OD1-CZ 3.23Å; N651-R656 PolarHBondContact OD1-NE 3.44Å; N651-R656 PolarHBondContact OD1-NH2 3.45Å; Q654-R656 HydrophobicContact CB-CG 4.3Å; Q654-R656 PolarHBondContact O-N 3.42Å
657	A	31.2	Very low	47.8	Very low	6 Å²	6	59.3 Å²	59.3	5%	0.05	31%	0.309	C	S	.	.			trans	-142.2	140.9	-178.4	0	0	0	0	0	111.7	L306 N651 C652	L306-A657 HydrophobicContact CD2-CB 3.48Å; L306-A657 VanDerWaalsContact CD2-CB 3.48Å; N651-A657 HydrophobicContact CB-CB 3.84Å; N651-A657 PolarHBondContact O-N 2.97Å; C652-A657 WeakPolarHBondContact CA-O 3.44Å; C652-A657 PolarHBondContact SG-O 2.9Å
658	V	38.7	Very low	45.8	Very low	63 Å²	63	65.7 Å²	65.7	38%	0.382	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-91.6	134	172.7	-174.7	0	0	0	0	108.3	E14	E14-V658 WeakPolarHBondContact OE1-CA 3.33Å; E14-V658 WeakPolarHBondContact OE1-CB 3.31Å; E14-V658 VanDerWaalsContact OE1-CG1 3.23Å; E14-V658 WeakPolarHBondContact OE1-CG1 3.48Å; E14-V658 WeakPolarHBondContact OE1-CG2 3.42Å
659	R	40.5	Very low	44.2	Very low	61 Å²	61	67.4 Å²	67.4	23%	0.23	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-69.6	136.1	166.8	-162.5	-176.9	75.8	171.6	0.5	108.5	A8 T9 P13 I661	A8-R659 PolarHBondContact O-NH2 3.49Å; T9-R659 PolarHBondContact O-NH2 3.18Å; T9-R659 VanDerWaalsContact O-NH2 3.12Å; P13-R659 HydrophobicContact CB-CB 4.21Å; P13-R659 HydrophobicContact CG-CB 3.36Å; R659-I661 PolarHBondContact O-N 3.03Å
660	D	38.7	Very low	42.8	Very low	38 Å²	38	68.7 Å²	68.7	20%	0.203	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-57.6	117.1	178.2	-61.8	-29.7	0	0	0	110.3	F230	F230-D660 HydrophobicContact CB-CB 4.36Å; F230-D660 HydrophobicContact CD2-CB 4.17Å; F230-D660 HydrophobicContact CG-CB 4.41Å; F230-D660 WeakPolarHBondContact CG-OD1 3.43Å
661	I	43.1	Very low	41.6	Very low	9 Å²	9	69 Å²	69	5%	0.046	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-95.2	142	167.2	-53	158.3	0	0	0	105.6	T12 L151 R659 L663	T12-I661 HydrophobicContact CG2-CD1 4.13Å; L151-I661 HydrophobicContact CD2-CD1 3.48Å; L151-I661 VanDerWaalsContact CD2-CD1 3.48Å; R659-I661 PolarHBondContact O-N 3.03Å; I661-L663 VanDerWaalsContact C-N 3.33Å; I661-L663 HydrophobicContact CB-CD2 4.23Å; I661-L663 HydrophobicContact CB-CG 4.23Å; I661-L663 HydrophobicContact CG2-CD2 4.36Å; I661-L663 PolarHBondContact O-N 3.28Å
662	S	38.6	Very low	40.8	Very low	69 Å²	69	73.6 Å²	73.6	48%	0.483	38%	0.384	S	S	.	.			trans	-66.9	99.8	164.6	-168.4	0	0	0	0	108	K664	S662-K664 VanDerWaalsContact C-N 3.27Å; S662-K664 PolarHBondContact O-N 3.38Å
663	L	38.9	Very low	40.7	Very low	10 Å²	10	77 Å²	77	5%	0.052	40%	0.397	C	S	.	.			trans	-89.7	23.3	-176.1	-70	167.7	0	0	0	112.8	L147 L151 V227 F230 I661 P665	L147-L663 HydrophobicContact CD1-CD1 3.51Å; L147-L663 HydrophobicContact CD1-CD2 4.21Å; L147-L663 HydrophobicContact CD1-CG 4.49Å; L151-L663 HydrophobicContact CD2-CD2 3.59Å; L151-L663 HydrophobicContact CG-CD2 4.42Å; V227-L663 HydrophobicContact CB-CB 4.48Å; V227-L663 HydrophobicContact CB-CD1 4.28Å; V227-L663 HydrophobicContact CG1-CD1 3.65Å; F230-L663 HydrophobicContact CD2-CD1 4.48Å; F230-L663 HydrophobicContact CE2-CD1 3.8Å; I661-L663 VanDerWaalsContact C-N 3.33Å; I661-L663 HydrophobicContact CB-CD2 4.23Å; I661-L663 HydrophobicContact CB-CG 4.23Å; I661-L663 HydrophobicContact CG2-CD2 4.36Å; I661-L663 PolarHBondContact O-N 3.28Å; L663-P665 VanDerWaalsContact O-CD 3.28Å; L663-P665 WeakPolarHBondContact O-CD 3.31Å; L663-P665 VanDerWaalsContact O-N 3.13Å
664	K	40.9	Very low	40.8	Very low	133 Å²	133	76 Å²	76	58%	0.578	38%	0.379	S	S	*	.			trans	-58.3	124.2	164.6	-77.5	-171.6	178.6	-178.6	0	106.5	S662 I666	S662-K664 VanDerWaalsContact C-N 3.27Å; S662-K664 PolarHBondContact O-N 3.38Å; K664-I666 PolarHBondContact O-N 3.48Å; K664-I666 VanDerWaalsContact O-N 3.09Å
665	P	38.7	Very low	41.1	Very low	66 Å²	66	71.6 Å²	71.6	43%	0.429	36%	0.364	S	S	.	.			trans	-49.5	124.1	165.7	-21.8	31.8	0	0	0	106.3	L663 T667	L663-P665 VanDerWaalsContact O-CD 3.28Å; L663-P665 WeakPolarHBondContact O-CD 3.31Å; L663-P665 VanDerWaalsContact O-N 3.13Å; P665-T667 PolarHBondContact O-N 3.02Å
666	I	40.9	Very low	41.7	Very low	40 Å²	40	71.7 Å²	71.7	21%	0.205	36%	0.359	C	S	.	.			trans	-61.1	108	-178.8	-57.7	175.5	0	0	0	105.7	K664 D670 L671 M674	K664-I666 PolarHBondContact O-N 3.48Å; K664-I666 VanDerWaalsContact O-N 3.09Å; I666-D670 HydrophobicContact CG2-CB 3.83Å; I666-L671 HydrophobicContact CG2-CD2 3.81Å; I666-L671 HydrophobicContact CG2-CG 3.63Å; I666-M674 HydrophobicContact CD1-CE 4.22Å; I666-M674 HydrophobicContact CG2-CE 3.57Å
667	T	43.7	Very low	42.4	Very low	77 Å²	77	67.4 Å²	67.4	47%	0.472	35%	0.348	S	S	.	.			trans	-74.8	160	178.1	65	0	0	0	0	108.7	P665 G669 D670 L671	P665-T667 PolarHBondContact O-N 3.02Å; T667-G669 PolarHBondContact O-N 2.94Å; T667-G669 VanDerWaalsContact O-N 3.14Å; T667-D670 WeakPolarHBondContact CB-OD2 3.33Å; T667-D670 PolarHBondContact N-OD2 3.3Å; T667-D670 PolarHBondContact O-N 2.97Å; T667-D670 PolarHBondContact OG1-N 3.27Å; T667-D670 PolarHBondContact OG1-OD2 3.34Å; T667-L671 PolarHBondContact O-N 3.09Å
668	K	45.2	Very low	43	Very low	161 Å²	161	69.2 Å²	69.2	70%	0.7	36%	0.358	S	S	*	.	H	α-helix	trans	-53.7	-34.4	173.8	-166.8	-179.5	173.6	-174.7	0	112	L671 E672	K668-L671 WeakPolarHBondContact O-CB 3.04Å; K668-L671 PolarHBondContact O-N 3.38Å; K668-E672 WeakPolarHBondContact O-CG 3.44Å; K668-E672 PolarHBondContact O-N 2.8Å
669	G	46.5	Very low	43.2	Very low	38 Å²	38	70.4 Å²	70.4	39%	0.392	36%	0.362	S	S	.	.	H	α-helix	trans	-67.5	-39.6	174.1	0	0	0	0	0	113.7	T667 L671 E672 E673	T667-G669 PolarHBondContact O-N 2.94Å; T667-G669 VanDerWaalsContact O-N 3.14Å; G669-L671 VanDerWaalsContact C-N 3.3Å; G669-L671 PolarHBondContact O-N 2.96Å; G669-E672 PolarHBondContact O-N 3.48Å; G669-E673 WeakPolarHBondContact O-CB 3.28Å; G669-E673 PolarHBondContact O-N 3.38Å
670	D	43.9	Very low	43.2	Very low	52 Å²	52	73.6 Å²	73.6	28%	0.278	38%	0.38	S	S	.	.	H	α-helix	trans	-65.9	-34.6	173.6	-58.9	-54.8	0	0	0	111.3	I666 T667 M674	I666-D670 HydrophobicContact CG2-CB 3.83Å; T667-D670 WeakPolarHBondContact CB-OD2 3.33Å; T667-D670 PolarHBondContact N-OD2 3.3Å; T667-D670 PolarHBondContact O-N 2.97Å; T667-D670 PolarHBondContact OG1-N 3.27Å; T667-D670 PolarHBondContact OG1-OD2 3.34Å; D670-M674 VanDerWaalsContact O-CB 3.25Å; D670-M674 WeakPolarHBondContact O-CB 3.3Å; D670-M674 PolarHBondContact O-N 2.04Å
671	L	46.8	Very low	43.3	Very low	76 Å²	76	80.1 Å²	80.1	40%	0.398	41%	0.409	S	S	.	.	H	α-helix	trans	-65.3	-41.8	172	-74	168.4	0	0	0	111.8	I666 T667 K668 G669 M674 S675	I666-L671 HydrophobicContact CG2-CD2 3.81Å; I666-L671 HydrophobicContact CG2-CG 3.63Å; T667-L671 PolarHBondContact O-N 3.09Å; K668-L671 WeakPolarHBondContact O-CB 3.04Å; K668-L671 PolarHBondContact O-N 3.38Å; G669-L671 VanDerWaalsContact C-N 3.3Å; G669-L671 PolarHBondContact O-N 2.96Å; L671-M674 HydrophobicContact CD2-CE 4.5Å; L671-M674 CarbonylContact O-C 3.43Å; L671-M674 PolarHBondContact O-N 3.38Å; L671-S675 WeakPolarHBondContact O-CB 3.41Å; L671-S675 PolarHBondContact O-N 3.41Å
672	E	48.1	Very low	42.9	Very low	113 Å²	113	86.5 Å²	86.5	53%	0.528	44%	0.443	S	S	.	.	H	α-helix	trans	-67.5	-41.6	176.7	-74.7	168.1	-166.9	0	0	111.5	K668 G669 S675 R676	K668-E672 WeakPolarHBondContact O-CG 3.44Å; K668-E672 PolarHBondContact O-N 2.8Å; G669-E672 PolarHBondContact O-N 3.48Å; E672-S675 CarbonylContact O-C 3.46Å; E672-S675 WeakPolarHBondContact O-CA 3.32Å; E672-S675 VanDerWaalsContact O-CB 3.29Å; E672-S675 WeakPolarHBondContact O-CB 3.02Å; E672-S675 PolarHBondContact O-N 3.24Å; E672-S675 VanDerWaalsContact O-N 3.09Å; E672-R676 WeakPolarHBondContact O-CB 3.02Å; E672-R676 PolarHBondContact O-N 3.26Å
673	E	48.5	Very low	42.6	Very low	97 Å²	97	86 Å²	86	45%	0.453	45%	0.449	S	S	.	.	H	α-helix	trans	-66.9	-41.6	174.1	-167.6	-179.3	176.2	0	0	111.4	G669 S675 R676 M677	G669-E673 WeakPolarHBondContact O-CB 3.28Å; G669-E673 PolarHBondContact O-N 3.38Å; E673-S675 PolarHBondContact O-N 2.46Å; E673-R676 PolarHBondContact O-N 3.41Å; E673-M677 HydrophobicContact CG-CE 3.95Å; E673-M677 WeakPolarHBondContact O-CB 3.43Å; E673-M677 WeakPolarHBondContact O-CG 3.39Å; E673-M677 PolarHBondContact O-N 3.21Å
674	M	42	Very low	42.1	Very low	28 Å²	28	90.4 Å²	90.4	14%	0.138	47%	0.472	C	S	.	.	H	α-helix	trans	-59.4	-35.5	168	-97.3	-173	-84.9	0	0	111.8	I666 D670 L671 V678	I666-M674 HydrophobicContact CD1-CE 4.22Å; I666-M674 HydrophobicContact CG2-CE 3.57Å; D670-M674 VanDerWaalsContact O-CB 3.25Å; D670-M674 WeakPolarHBondContact O-CB 3.3Å; D670-M674 PolarHBondContact O-N 2.04Å; L671-M674 HydrophobicContact CD2-CE 4.5Å; L671-M674 CarbonylContact O-C 3.43Å; L671-M674 PolarHBondContact O-N 3.38Å; M674-V678 WeakPolarHBondContact O-CB 3.16Å; M674-V678 WeakPolarHBondContact O-CG2 3.25Å; M674-V678 PolarHBondContact O-N 3.38Å
675	S	44.8	Very low	41.8	Very low	44 Å²	44	89 Å²	89	31%	0.308	47%	0.474	S	S	.	.	H	α-helix	trans	-68.4	-44.3	174.6	-160.9	0	0	0	0	110.8	L671 E672 E673 V678 D679	L671-S675 WeakPolarHBondContact O-CB 3.41Å; L671-S675 PolarHBondContact O-N 3.41Å; E672-S675 CarbonylContact O-C 3.46Å; E672-S675 WeakPolarHBondContact O-CA 3.32Å; E672-S675 VanDerWaalsContact O-CB 3.29Å; E672-S675 WeakPolarHBondContact O-CB 3.02Å; E672-S675 PolarHBondContact O-N 3.24Å; E672-S675 VanDerWaalsContact O-N 3.09Å; E673-S675 PolarHBondContact O-N 2.46Å; S675-V678 CarbonylContact O-C 3.57Å; S675-V678 WeakPolarHBondContact O-CA 3.44Å; S675-V678 WeakPolarHBondContact O-CB 3.29Å; S675-V678 PolarHBondContact O-N 2.98Å; S675-D679 VanDerWaalsContact O-CG 3.27Å; S675-D679 PolarHBondContact O-N 3.48Å; S675-D679 VanDerWaalsContact O-OD2 3.1Å; S675-D679 PolarHBondContact OG-OD2 3.45Å
676	R	49.1	Very low	41.3	Very low	160 Å²	160	94.1 Å²	94.1	60%	0.604	49%	0.492	S	S	*	.	H	α-helix	trans	-66.3	-47.2	-178.4	-164.5	-172.5	72.4	178	-1.2	112.4	E672 E673 V678 D679 E680	E672-R676 WeakPolarHBondContact O-CB 3.02Å; E672-R676 PolarHBondContact O-N 3.26Å; E673-R676 PolarHBondContact O-N 3.41Å; R676-V678 PolarHBondContact O-N 3.42Å; R676-V678 VanDerWaalsContact O-N 3.07Å; R676-D679 PolarHBondContact O-N 2.79Å; R676-D679 VanDerWaalsContact O-N 3.11Å; R676-E680 PolarHBondContact O-N 3.31Å
677	M	42.2	Very low	41.1	Very low	75 Å²	75	98.7 Å²	98.7	37%	0.369	51%	0.507	S	S	.	.	H	α-helix	trans	-60.6	-17	172.1	-74.9	-168.3	-86.1	0	0	112.9	E673	E673-M677 HydrophobicContact CG-CE 3.95Å; E673-M677 WeakPolarHBondContact O-CB 3.43Å; E673-M677 WeakPolarHBondContact O-CG 3.39Å; E673-M677 PolarHBondContact O-N 3.21Å
678	V	43.5	Very low	40.9	Very low	43 Å²	43	97.6 Å²	97.6	26%	0.261	51%	0.511	S	S	.	.	H	α-helix	trans	-92.2	-25.1	179.3	163.9	0	0	0	0	112.8	M674 S675 R676	M674-V678 WeakPolarHBondContact O-CB 3.16Å; M674-V678 WeakPolarHBondContact O-CG2 3.25Å; M674-V678 PolarHBondContact O-N 3.38Å; S675-V678 CarbonylContact O-C 3.57Å; S675-V678 WeakPolarHBondContact O-CA 3.44Å; S675-V678 WeakPolarHBondContact O-CB 3.29Å; S675-V678 PolarHBondContact O-N 2.98Å; R676-V678 PolarHBondContact O-N 3.42Å; R676-V678 VanDerWaalsContact O-N 3.07Å
679	D	43.4	Very low	40.7	Very low	88 Å²	88	98 Å²	98	47%	0.471	52%	0.515	S	S	.	.	H	α-helix	trans	-92.7	-7.7	-179.6	-63.6	-34.2	0	0	0	112.6	K168 S675 R676 E681	K168-D679 IonicContact NZ-OD1 3.52Å; S675-D679 VanDerWaalsContact O-CG 3.27Å; S675-D679 PolarHBondContact O-N 3.48Å; S675-D679 VanDerWaalsContact O-OD2 3.1Å; S675-D679 PolarHBondContact OG-OD2 3.45Å; R676-D679 PolarHBondContact O-N 2.79Å; R676-D679 VanDerWaalsContact O-N 3.11Å; D679-E681 PolarHBondContact O-N 3.39Å
680	E	40.5	Very low	40.6	Very low	129 Å²	129	101.3 Å²	101.3	60%	0.603	52%	0.52	S	S	*	.			trans	-58.6	120.3	172	-77.3	175.2	-172.5	0	0	112.1	R676 D682	R676-E680 PolarHBondContact O-N 3.31Å; E680-D682 PolarHBondContact O-N 3.21Å
681	E	39.5	Very low	40.6	Very low	175 Å²	175	101.7 Å²	101.7	82%	0.818	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-28.9	-174.7	-69.7	-173.4	141.5	0	0	113.7	D679 G683	D679-E681 PolarHBondContact O-N 3.39Å; E681-G683 VanDerWaalsContact C-N 3.33Å; E681-G683 PolarHBondContact O-N 2.6Å
682	D	36.3	Very low	40.5	Very low	143 Å²	143	104.6 Å²	104.6	77%	0.765	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	10.2	-167.4	-69	-32.2	0	0	0	115.7	E680 L684	E680-D682 PolarHBondContact O-N 3.21Å; D682-L684 PolarHBondContact O-N 2.97Å; D682-L684 VanDerWaalsContact O-N 3.09Å
683	G	31.4	Very low	40.6	Very low	59 Å²	59	101.6 Å²	101.6	61%	0.608	52%	0.524	S	S	*	.	S	Bend	trans	-71.7	2.9	179.3	0	0	0	0	0	116.3	E681	E681-G683 VanDerWaalsContact C-N 3.33Å; E681-G683 PolarHBondContact O-N 2.6Å
684	L	28.8	Very low	40.4	Very low	102 Å²	102	101 Å²	101	53%	0.534	52%	0.523	S	S	.	.	S	Bend	trans	-142.7	44.3	-160.2	-77.5	159.4	0	0	0	115.2	D682	D682-L684 PolarHBondContact O-N 2.97Å; D682-L684 VanDerWaalsContact O-N 3.09Å
685	T	35	Very low	40.6	Very low	102 Å²	102	100.3 Å²	100.3	63%	0.626	52%	0.52	S	S	*	.	S	Bend	trans	-123.9	-13.2	176.2	47.1	0	0	0	0	117.8
686	H	26.5	Very low	40.9	Very low	174 Å²	174	101.3 Å²	101.3	81%	0.806	53%	0.528	S	S	*	.	S	Bend	trans	-139.8	91.8	-179	-62	-72	0	0	0	113.6
687	R	38.1	Very low	40.8	Very low	137 Å²	137	100.9 Å²	100.9	52%	0.517	53%	0.53	S	S	.	.			trans	-173	42.7	151.4	-110.7	-170.9	-74.1	-179.2	-9.7	116	E689 E690 F691	R687-E689 PolarHBondContact O-N 3.36Å; R687-E689 VanDerWaalsContact O-N 3.11Å; R687-E690 WeakPolarHBondContact CD-OE2 3.1Å; R687-E690 HydrophobicContact CG-CB 4.06Å; R687-E690 HydrophobicContact CG-CG 4.3Å; R687-E690 IonicContact CZ-OE2 3.75Å; R687-E690 IonicContact NE-OE2 3.83Å; R687-E690 IonicContact NH1-OE2 3.28Å; R687-E690 PolarHBondContact NH1-OE2 2.76Å; R687-F691 VanDerWaalsContact O-CB 3.25Å; R687-F691 WeakPolarHBondContact O-CB 2.91Å; R687-F691 PolarHBondContact O-N 3.21Å
688	G	38.8	Very low	40.8	Very low	53 Å²	53	101 Å²	101	55%	0.546	53%	0.528	S	S	.	.	H	α-helix	trans	-51.5	-34.8	174.5	0	0	0	0	0	113.7	K692	G688-K692 VanDerWaalsContact O-CB 3.3Å; G688-K692 WeakPolarHBondContact O-CB 3.44Å; G688-K692 VanDerWaalsContact O-CG 3.22Å; G688-K692 WeakPolarHBondContact O-CG 3.4Å; G688-K692 PolarHBondContact O-N 2.88Å
689	E	41.5	Very low	40.6	Very low	170 Å²	170	100.6 Å²	100.6	79%	0.794	53%	0.533	S	S	*	.	H	α-helix	trans	-81.3	-48.4	-173.6	-61.5	-174.5	158.6	0	0	114.5	R687 F691 K692 A693	R687-E689 PolarHBondContact O-N 3.36Å; R687-E689 VanDerWaalsContact O-N 3.11Å; E689-F691 VanDerWaalsContact C-N 3.25Å; E689-F691 PolarHBondContact O-N 3.17Å; E689-K692 PolarHBondContact O-N 3.24Å; E689-A693 PolarHBondContact O-N 3.17Å
690	E	44.3	Very low	40.5	Very low	108 Å²	108	103.4 Å²	103.4	51%	0.505	54%	0.541	S	S	.	.	H	α-helix	trans	-65.7	-32.6	176	-76.4	-168.9	-177.8	0	0	111.8	R687 A693 L694	R687-E690 WeakPolarHBondContact CD-OE2 3.1Å; R687-E690 HydrophobicContact CG-CB 4.06Å; R687-E690 HydrophobicContact CG-CG 4.3Å; R687-E690 IonicContact CZ-OE2 3.75Å; R687-E690 IonicContact NE-OE2 3.83Å; R687-E690 IonicContact NH1-OE2 3.28Å; R687-E690 PolarHBondContact NH1-OE2 2.76Å; E690-A693 PolarHBondContact O-N 3.19Å; E690-L694 PolarHBondContact O-N 3.07Å
691	F	42.7	Very low	40.3	Very low	60 Å²	60	100.4 Å²	100.4	26%	0.263	53%	0.534	S	S	.	.	H	α-helix	trans	-69.2	-46.9	175.8	-172.7	-98.9	0	0	0	111.5	Y30 R687 E689 A693 L694 V695	Y30-F691 HydrophobicContact CD1-CE1 4.11Å; Y30-F691 HydrophobicContact CD1-CZ 4.04Å; Y30-F691 HydrophobicContact CD2-CE1 4.26Å; Y30-F691 AromaticContact CD2-CE2 3.71Å; Y30-F691 HydrophobicContact CD2-CE2 3.71Å; Y30-F691 AromaticContact CD2-CZ 3.38Å; Y30-F691 HydrophobicContact CD2-CZ 3.38Å; Y30-F691 HydrophobicContact CE2-CE2 4.24Å; Y30-F691 HydrophobicContact CE2-CZ 4.26Å; Y30-F691 AromaticContact CG-CE1 3.74Å; Y30-F691 HydrophobicContact CG-CE1 3.74Å; Y30-F691 HydrophobicContact CG-CE2 4.06Å; Y30-F691 AromaticContact CG-CZ 3.27Å; Y30-F691 HydrophobicContact CG-CZ 3.27Å; R687-F691 VanDerWaalsContact O-CB 3.25Å; R687-F691 WeakPolarHBondContact O-CB 2.91Å; R687-F691 PolarHBondContact O-N 3.21Å; E689-F691 VanDerWaalsContact C-N 3.25Å; E689-F691 PolarHBondContact O-N 3.17Å; F691-A693 PolarHBondContact O-N 3Å; F691-L694 PolarHBondContact O-N 3.01Å; F691-L694 VanDerWaalsContact O-N 3.09Å; F691-V695 HydrophobicContact CD1-CG2 4.03Å; F691-V695 HydrophobicContact CE1-CG2 3.42Å; F691-V695 VanDerWaalsContact CE1-CG2 3.42Å; F691-V695 HydrophobicContact CE2-CG2 4.18Å; F691-V695 HydrophobicContact CZ-CG2 3.46Å; F691-V695 VanDerWaalsContact CZ-CG2 3.46Å; F691-V695 WeakPolarHBondContact O-CG2 3.32Å; F691-V695 PolarHBondContact O-N 3.23Å
692	K	46.2	Very low	40.4	Very low	137 Å²	137	98.2 Å²	98.2	60%	0.596	52%	0.522	S	S	*	.	H	α-helix	trans	-54.9	-37.9	170.1	-83.1	177.9	177.1	-176.9	0	111.9	G688 E689 S696	G688-K692 VanDerWaalsContact O-CB 3.3Å; G688-K692 WeakPolarHBondContact O-CB 3.44Å; G688-K692 VanDerWaalsContact O-CG 3.22Å; G688-K692 WeakPolarHBondContact O-CG 3.4Å; G688-K692 PolarHBondContact O-N 2.88Å; E689-K692 PolarHBondContact O-N 3.24Å; K692-S696 WeakPolarHBondContact O-CB 3.44Å; K692-S696 PolarHBondContact O-N 3.27Å
693	A	49.6	Very low	40.7	Very low	50 Å²	50	94.9 Å²	94.9	41%	0.413	51%	0.51	S	S	.	.	H	α-helix	trans	-67.3	-38.4	176.8	0	0	0	0	0	113.3	E689 E690 F691 K697	E689-A693 PolarHBondContact O-N 3.17Å; E690-A693 PolarHBondContact O-N 3.19Å; F691-A693 PolarHBondContact O-N 3Å; A693-K697 WeakPolarHBondContact O-CB 3.3Å; A693-K697 WeakPolarHBondContact O-CG 3.38Å; A693-K697 PolarHBondContact O-N 3.46Å; A693-K697 VanDerWaalsContact O-N 3.07Å
694	L	45.1	Very low	41	Very low	84 Å²	84	99.7 Å²	99.7	44%	0.44	51%	0.514	S	S	.	.	H	α-helix	trans	-68.1	-45.4	175.2	-92.2	154.8	0	0	0	112.1	E690 F691 K697 K698	E690-L694 PolarHBondContact O-N 3.07Å; F691-L694 PolarHBondContact O-N 3.01Å; F691-L694 VanDerWaalsContact O-N 3.09Å; L694-K697 PolarHBondContact O-N 3.14Å; L694-K698 PolarHBondContact O-N 3.12Å
695	V	45.5	Very low	41.4	Very low	13 Å²	13	101.5 Å²	101.5	8%	0.079	52%	0.52	C	S	.	.	H	α-helix	trans	-66.2	-45.5	177.1	-179.9	0	0	0	0	110.8	E31 E34 F691 K697 K698 G699	E31-V695 HydrophobicContact CG-CG1 4.28Å; E34-V695 VanDerWaalsContact OE2-CG1 3.28Å; E34-V695 WeakPolarHBondContact OE2-CG1 3.27Å; F691-V695 HydrophobicContact CD1-CG2 4.03Å; F691-V695 HydrophobicContact CE1-CG2 3.42Å; F691-V695 VanDerWaalsContact CE1-CG2 3.42Å; F691-V695 HydrophobicContact CE2-CG2 4.18Å; F691-V695 HydrophobicContact CZ-CG2 3.46Å; F691-V695 VanDerWaalsContact CZ-CG2 3.46Å; F691-V695 WeakPolarHBondContact O-CG2 3.32Å; F691-V695 PolarHBondContact O-N 3.23Å; V695-K697 VanDerWaalsContact C-N 3.27Å; V695-K697 PolarHBondContact O-N 2.86Å; V695-K698 PolarHBondContact O-N 3.34Å; V695-G699 PolarHBondContact O-N 3.14Å
696	S	50.4	Low	41.6	Very low	66 Å²	66	98.3 Å²	98.3	46%	0.462	51%	0.507	S	S	.	.	H	α-helix	trans	-59.4	-35.8	175.8	-173.9	0	0	0	0	112.7	K692 K700	K692-S696 WeakPolarHBondContact O-CB 3.44Å; K692-S696 PolarHBondContact O-N 3.27Å; S696-K700 WeakPolarHBondContact O-CG 3.2Å
697	K	47.6	Very low	41.9	Very low	150 Å²	150	93.6 Å²	93.6	65%	0.652	49%	0.49	S	S	*	.	H	α-helix	trans	-74.1	-44.1	177.3	-84.5	179.8	176.8	175.2	0	113.1	A693 L694 V695 K700 S701	A693-K697 WeakPolarHBondContact O-CB 3.3Å; A693-K697 WeakPolarHBondContact O-CG 3.38Å; A693-K697 PolarHBondContact O-N 3.46Å; A693-K697 VanDerWaalsContact O-N 3.07Å; L694-K697 PolarHBondContact O-N 3.14Å; V695-K697 VanDerWaalsContact C-N 3.27Å; V695-K697 PolarHBondContact O-N 2.86Å; K697-K700 PolarHBondContact O-N 3.1Å; K697-S701 PolarHBondContact O-N 2.86Å
698	K	41.9	Very low	41.8	Very low	78 Å²	78	92.9 Å²	92.9	34%	0.339	50%	0.496	S	S	.	.	H	α-helix	trans	-77	-32.5	179.8	-80.4	-167.7	174.9	-174.8	0	113.3	L694 V695 K700 S701 F702	L694-K698 PolarHBondContact O-N 3.12Å; V695-K698 PolarHBondContact O-N 3.34Å; K698-K700 PolarHBondContact O-N 2.87Å; K698-S701 WeakPolarHBondContact O-CA 3.42Å; K698-S701 WeakPolarHBondContact O-CB 3.23Å; K698-S701 PolarHBondContact O-N 3.28Å; K698-F702 PolarHBondContact O-N 3.33Å
699	G	40.4	Very low	41.7	Very low	34 Å²	34	100.3 Å²	100.3	35%	0.351	51%	0.508	S	S	.	.	H	α-helix	trans	-55.5	-35.2	170	0	0	0	0	0	112.5	V695 S703	V695-G699 PolarHBondContact O-N 3.14Å; G699-S703 VanDerWaalsContact O-CB 3.27Å; G699-S703 WeakPolarHBondContact O-CB 3.33Å; G699-S703 PolarHBondContact O-N 3.48Å
700	K	40.1	Very low	41.4	Very low	147 Å²	147	99.7 Å²	99.7	64%	0.639	50%	0.502	S	S	*	.	H	α-helix	trans	-70.9	-33	173.4	-69.5	176.9	-172.5	179.9	0	113.5	S696 K697 K698 K704	S696-K700 WeakPolarHBondContact O-CG 3.2Å; K697-K700 PolarHBondContact O-N 3.1Å; K698-K700 PolarHBondContact O-N 2.87Å; K700-K704 PolarHBondContact O-N 3.46Å
701	S	36.6	Very low	40.9	Very low	67 Å²	67	104.6 Å²	104.6	47%	0.469	52%	0.516	S	S	.	.	H	α-helix	trans	-73.5	-44	176.7	-167.7	0	0	0	0	111.7	K697 K698 S703 K704 H705	K697-S701 PolarHBondContact O-N 2.86Å; K698-S701 WeakPolarHBondContact O-CA 3.42Å; K698-S701 WeakPolarHBondContact O-CB 3.23Å; K698-S701 PolarHBondContact O-N 3.28Å; S701-S703 VanDerWaalsContact C-N 3.34Å; S701-S703 PolarHBondContact O-N 2.83Å; S701-K704 WeakPolarHBondContact O-CB 3.47Å; S701-K704 PolarHBondContact O-N 3.44Å; S701-K704 VanDerWaalsContact O-N 3.14Å; S701-H705 PolarHBondContact O-N 2.92Å
702	F	41.1	Very low	40.7	Very low	129 Å²	129	109.1 Å²	109.1	57%	0.566	54%	0.542	S	S	*	.	H	α-helix	trans	-64.8	-36.7	173.6	-97.2	-85.5	0	0	0	112.2	L24 K698 K704 H705 G706	L24-F702 HydrophobicContact CD1-CZ 4.41Å; K698-F702 PolarHBondContact O-N 3.33Å; F702-K704 VanDerWaalsContact C-N 3.31Å; F702-K704 PolarHBondContact O-N 2.92Å; F702-H705 PolarHBondContact O-N 3.15Å; F702-G706 PolarHBondContact O-N 3.1Å
703	S	42.7	Very low	40.3	Very low	73 Å²	73	106.2 Å²	106.2	51%	0.51	54%	0.544	S	S	.	.	H	α-helix	trans	-60.5	-39.5	171.8	-178	0	0	0	0	111.9	G699 S701 T707	G699-S703 VanDerWaalsContact O-CB 3.27Å; G699-S703 WeakPolarHBondContact O-CB 3.33Å; G699-S703 PolarHBondContact O-N 3.48Å; S701-S703 VanDerWaalsContact C-N 3.34Å; S701-S703 PolarHBondContact O-N 2.83Å; S703-T707 VanDerWaalsContact O-CB 3.32Å; S703-T707 WeakPolarHBondContact O-CB 3.47Å; S703-T707 PolarHBondContact O-N 3.47Å; S703-T707 PolarHBondContact O-OG1 2.98Å
704	K	37.5	Very low	39.2	Very low	160 Å²	160	111.7 Å²	111.7	70%	0.696	56%	0.559	S	S	*	*	H	α-helix	trans	-64.8	-43.2	173.7	-84	-175.1	175.7	-179.9	0	113.1	K700 S701 F702 L708	K700-K704 PolarHBondContact O-N 3.46Å; S701-K704 WeakPolarHBondContact O-CB 3.47Å; S701-K704 PolarHBondContact O-N 3.44Å; S701-K704 VanDerWaalsContact O-N 3.14Å; F702-K704 VanDerWaalsContact C-N 3.31Å; F702-K704 PolarHBondContact O-N 2.92Å; K704-L708 PolarHBondContact O-N 3.33Å; K704-L708 VanDerWaalsContact O-N 3.12Å
705	H	38.6	Very low	38.7	Very low	140 Å²	140	115.3 Å²	115.3	65%	0.648	58%	0.579	S	S	*	*	H	α-helix	trans	-72.2	-36.2	177.6	-83.6	27	0	0	0	112.9	S701 F702 T707 L708 R709	S701-H705 PolarHBondContact O-N 2.92Å; F702-H705 PolarHBondContact O-N 3.15Å; H705-T707 VanDerWaalsContact C-N 3.35Å; H705-L708 PolarHBondContact O-N 2.87Å; H705-R709 WeakPolarHBondContact O-CB 3.42Å; H705-R709 PolarHBondContact O-N 3.14Å
706	G	37.7	Very low	38	Very low	35 Å²	35	119.7 Å²	119.7	36%	0.361	61%	0.607	S	S	.	*	H	α-helix	trans	-65.6	-35.3	172.9	0	0	0	0	0	112.8	F702 R709 K710	F702-G706 PolarHBondContact O-N 3.1Å; G706-R709 PolarHBondContact O-N 3.08Å; G706-K710 WeakPolarHBondContact O-CB 3.09Å; G706-K710 WeakPolarHBondContact O-CG 3.22Å; G706-K710 PolarHBondContact O-N 2.77Å
707	T	34.3	Very low	37	Very low	74 Å²	74	119.8 Å²	119.8	45%	0.454	62%	0.619	S	S	.	*	H	α-helix	trans	-73	-36.4	176.5	-50.8	0	0	0	0	111.9	S703 H705 R709 K710 R711	S703-T707 VanDerWaalsContact O-CB 3.32Å; S703-T707 WeakPolarHBondContact O-CB 3.47Å; S703-T707 PolarHBondContact O-N 3.47Å; S703-T707 PolarHBondContact O-OG1 2.98Å; H705-T707 VanDerWaalsContact C-N 3.35Å; T707-R709 VanDerWaalsContact C-N 3.34Å; T707-K710 PolarHBondContact O-N 2.61Å; T707-R711 PolarHBondContact O-N 2.85Å
708	L	34.8	Very low	36	Very low	123 Å²	123	124 Å²	124	64%	0.644	63%	0.631	S	S	*	*	H	α-helix	trans	-64.6	-40.2	172.6	-138.4	89.2	0	0	0	111.2	K704 H705 R711 L712	K704-L708 PolarHBondContact O-N 3.33Å; K704-L708 VanDerWaalsContact O-N 3.12Å; H705-L708 PolarHBondContact O-N 2.87Å; L708-R711 PolarHBondContact O-N 3.42Å; L708-L712 PolarHBondContact O-N 2.81Å
709	R	37.6	Very low	35.2	Very low	209 Å²	209	131.9 Å²	131.9	79%	0.789	66%	0.658	S	S	*	*	H	α-helix	trans	-70.7	-34.5	177.4	-144.5	175.7	-177.6	-174.2	0.7	112.3	H705 G706 T707 L712 A713	H705-R709 WeakPolarHBondContact O-CB 3.42Å; H705-R709 PolarHBondContact O-N 3.14Å; G706-R709 PolarHBondContact O-N 3.08Å; T707-R709 VanDerWaalsContact C-N 3.34Å; R709-L712 PolarHBondContact O-N 2.87Å; R709-A713 PolarHBondContact O-N 3.09Å
710	K	34.5	Very low	34.7	Very low	156 Å²	156	136.2 Å²	136.2	68%	0.678	68%	0.678	S	S	*	*	H	α-helix	trans	-70.2	-34.7	173.3	-83.5	-176.1	177.8	180	0	113.4	G706 T707 L712 A713 F714	G706-K710 WeakPolarHBondContact O-CB 3.09Å; G706-K710 WeakPolarHBondContact O-CG 3.22Å; G706-K710 PolarHBondContact O-N 2.77Å; T707-K710 PolarHBondContact O-N 2.61Å; K710-L712 PolarHBondContact O-N 3.43Å; K710-A713 PolarHBondContact O-N 2.89Å; K710-A713 VanDerWaalsContact O-N 3.11Å; K710-F714 PolarHBondContact O-N 3.07Å
711	R	33.4	Very low	33.9	Very low	211 Å²	211	135.8 Å²	135.8	80%	0.796	69%	0.688	S	S	*	*	H	α-helix	trans	-64.8	-26.4	173.9	-85.6	-173.7	178.5	-176.7	-0.4	113.2	T707 L708	T707-R711 PolarHBondContact O-N 2.85Å; L708-R711 PolarHBondContact O-N 3.42Å
712	L	38.8	Very low	33.5	Very low	155 Å²	155	135.9 Å²	135.9	81%	0.812	70%	0.699	S	S	*	*	H	α-helix	trans	-83.4	-16.7	174.1	-70.1	167.6	0	0	0	113.3	L708 R709 K710	L708-L712 PolarHBondContact O-N 2.81Å; R709-L712 PolarHBondContact O-N 2.87Å; K710-L712 PolarHBondContact O-N 3.43Å
713	A	38	Very low	32.7	Very low	77 Å²	77	139.5 Å²	139.5	64%	0.636	71%	0.714	S	S	*	*	H	α-helix	trans	-105.7	-2.5	-174.9	0	0	0	0	0	114.6	R709 K710	R709-A713 PolarHBondContact O-N 3.09Å; K710-A713 PolarHBondContact O-N 2.89Å; K710-A713 VanDerWaalsContact O-N 3.11Å
714	F	27.7	Very low	32.2	Very low	164 Å²	164	141.9 Å²	141.9	72%	0.719	73%	0.728	S	S	*	*			trans	-119.1	87.9	179.9	-112.5	-93.6	0	0	0	111.5	K710 P716	K710-F714 PolarHBondContact O-N 3.07Å; F714-P716 HydrophobicContact CD1-CG 4.09Å; F714-P716 HydrophobicContact CE1-CG 4.17Å
715	N	33.4	Very low	31.8	Very low	161 Å²	161	141.8 Å²	141.8	86%	0.861	74%	0.735	S	S	*	*			trans	-142.4	72.3	149.4	-146.9	0.9	0	0	0	110
716	P	31.5	Very low	31	Very low	104 Å²	104	144.2 Å²	144.2	68%	0.675	75%	0.747	S	S	*	*			trans	-83.3	114.7	174.6	32.3	-26.3	0	0	0	108.7	F714	F714-P716 HydrophobicContact CD1-CG 4.09Å; F714-P716 HydrophobicContact CE1-CG 4.17Å
717	G	28.8	Very low	30.6	Very low	68 Å²	68	146 Å²	146	70%	0.701	77%	0.765	S	S	*	*			trans	118.5	72.5	164.2	0	0	0	0	0	115.9
718	R	27	Very low	30	Very low	239 Å²	239	149.8 Å²	149.8	90%	0.902	78%	0.783	S	S	*	*			trans	-129.2	99.5	138.5	-92.6	-169.7	-174.3	-168	2	109.1	V720	R718-V720 PolarHBondContact O-N 2.86Å
719	R	24.7	Very low	29.7	Very low	244 Å²	244	155.9 Å²	155.9	92%	0.921	80%	0.797	S	S	*	*			trans	-60.5	116.6	154.2	-84.1	179.8	-174.5	172.5	2.2	107
720	V	29.2	Very low	29	Very low	124 Å²	124	156.4 Å²	156.4	75%	0.752	80%	0.799	S	S	*	*			trans	-131.4	94.4	155.5	-177.3	0	0	0	0	106.8	R718 G722	R718-V720 PolarHBondContact O-N 2.86Å; V720-G722 PolarHBondContact O-N 3.03Å
721	T	24.9	Very low	28.7	Very low	139 Å²	139	156.8 Å²	156.8	85%	0.853	81%	0.808	S	S	*	*			trans	-68.4	114.3	158.3	45.3	0	0	0	0	107.7
722	G	28.4	Very low	28.8	Very low	68 Å²	68	151.4 Å²	151.4	70%	0.701	80%	0.801	S	S	*	*			trans	-161	109.6	175.2	0	0	0	0	0	109.9	V720	V720-G722 PolarHBondContact O-N 3.03Å
723	K	24	Very low	28.1	Very low	205 Å²	205	151.1 Å²	151.1	89%	0.891	80%	0.799	S	S	*	*			trans	-59.1	163.6	175.7	-94.4	-177.6	178	-179.3	0	112.4
724	P	32.1	Very low	27.7	Very low	123 Å²	123	159.2 Å²	159.2	80%	0.799	81%	0.813	S	S	*	*			trans	-82.4	145	-153.8	34.4	-32.6	0	0	0	111.4
725	N	28	Very low	27.6	Very low	159 Å²	159	161.2 Å²	161.2	85%	0.85	82%	0.816	S	S	*	*			trans	-128.9	125.3	162.1	-136.1	5.9	0	0	0	110
726	E	23	Very low	27.4	Very low	190 Å²	190	158 Å²	158	89%	0.888	81%	0.806	S	S	*	*			trans	-55.7	142.9	171.4	-64.1	168.7	141.1	0	0	110.3
727	G	27.5	Very low	27.4	Very low	73 Å²	73	160.7 Å²	160.7	75%	0.753	81%	0.814	S	S	*	*			trans	171.6	61.1	-178.3	0	0	0	0	0	114.1	R729	G727-R729 PolarHBondContact O-N 3Å; G727-R729 VanDerWaalsContact O-N 3.16Å
728	N	23.3	Very low	27.3	Very low	154 Å²	154	168 Å²	168	82%	0.824	82%	0.821	S	S	*	*			trans	-35.2	115.3	158	-101.4	-31.6	0	0	0	111.8
729	R	28.7	Very low	27.5	Very low	251 Å²	251	168.1 Å²	168.1	95%	0.947	82%	0.821	S	S	*	*			trans	-149.2	110.7	147.6	-108.2	169.1	-158.6	-162.6	5.2	110.5	G727	G727-R729 PolarHBondContact O-N 3Å; G727-R729 VanDerWaalsContact O-N 3.16Å
730	R	21.8	Very low	27.6	Very low	219 Å²	219	161.5 Å²	161.5	83%	0.826	81%	0.807	S	S	*	*			trans	-65.9	152.1	-179.6	-62.2	165	177.3	-174	-2	111.8
731	L	29.5	Very low	27.7	Very low	165 Å²	165	163.2 Å²	163.2	86%	0.864	81%	0.813	S	S	*	*			trans	138.4	149.3	131.8	-76	157.9	0	0	0	112.7
732	P	33.7	Very low	27.9	Very low	98 Å²	98	163.7 Å²	163.7	64%	0.636	81%	0.81	S	S	*	*			cis	-126.1	147.6	-40	28.2	-10	0	0	0	112.9	W734	P732-W734 PolarHBondContact O-N 3.44Å
733	L	25.4	Very low	27.7	Very low	148 Å²	148	166.4 Å²	166.4	78%	0.775	82%	0.817	S	S	*	*			trans	-63.9	123.8	166.4	-94.4	92.5	0	0	0	110.9	R735	L733-R735 HydrophobicContact CD2-CG 4.42Å; L733-R735 PolarHBondContact O-N 2.66Å
734	W	30	Very low	27.9	Very low	248 Å²	248	166.2 Å²	166.2	94%	0.939	81%	0.812	S	S	*	*			trans	-80.7	98.1	156.2	-80.1	91.7	0	0	0	109.2	P732	P732-W734 PolarHBondContact O-N 3.44Å
735	R	23.8	Very low	27.6	Very low	205 Å²	205	166.6 Å²	166.6	77%	0.774	81%	0.811	S	S	*	*			trans	-122.4	103.9	168.9	-117.4	-168.4	-168.1	-164.7	6.3	108.3	L733	L733-R735 HydrophobicContact CD2-CG 4.42Å; L733-R735 PolarHBondContact O-N 2.66Å
736	S	29.3	Very low	27.4	Very low	95 Å²	95	167 Å²	167	66%	0.664	81%	0.814	S	S	*	*			trans	176.8	120.3	150.7	62.3	0	0	0	0	105.6
737	L	32.4	Very low	27.6	Very low	159 Å²	159	163.5 Å²	163.5	83%	0.832	81%	0.805	S	S	*	*				-154.9	115	63.1	-83.4	133	0	0	0	109.4
738	R	26.3	Very low	27.7	Very low	223 Å²	223	166.7 Å²	166.7	84%	0.842	81%	0.81	S	S	*	*			trans	-92.2	115	153.3	-117.3	-176.2	-95	-160.3	-7.4	105.5
739	R	31.4	Very low	27.9	Very low	241 Å²	241	162.4 Å²	162.4	91%	0.909	80%	0.803	S	S	*	*			trans	-121.5	103	154	-110.6	-175.7	-179.3	175.7	-0.2	106.7
740	T	27.4	Very low	27.8	Very low	104 Å²	104	157.4 Å²	157.4	64%	0.638	80%	0.8	S	S	*	*			trans	-65.4	140	165.5	41.9	0	0	0	0	109.8
741	D	30.7	Very low	28.2	Very low	161 Å²	161	153 Å²	153	86%	0.861	80%	0.802	S	S	*	*			trans	-149.9	77.6	138.7	-84.7	-31.4	0	0	0	106.5
742	N	29.5	Very low	28.2	Very low	149 Å²	149	150.3 Å²	150.3	80%	0.797	80%	0.798	S	S	*	*			trans	-101	108.9	163.3	-91.7	-0.7	0	0	0	106.6
743	C	23.7	Very low	27.8	Very low	124 Å²	124	151 Å²	151	84%	0.838	81%	0.805	S	S	*	*			trans	-91.8	91.3	159.4	-72.5	0	0	0	0	107.7
744	Y	28.6	Very low	27.9	Very low	202 Å²	202	153 Å²	153	79%	0.792	81%	0.81	S	S	*	*			trans	-125.6	120.3	157.3	-89.2	-83.3	0	0	0	107.3	D746	Y744-D746 PolarHBondContact O-N 2.91Å
745	V	25.5	Very low	27.6	Very low	130 Å²	130	150.6 Å²	150.6	79%	0.788	81%	0.806	S	S	*	*			trans	-79.2	112.1	177.1	178.1	0	0	0	0	107.2	V747	V745-V747 HydrophobicContact CG1-CG2 3.93Å; V745-V747 PolarHBondContact O-N 3.17Å
746	D	24.7	Very low	27.9	Very low	169 Å²	169	150.4 Å²	150.4	90%	0.904	81%	0.811	S	S	*	*			trans	-71.5	113.5	169.5	-101.7	-29.1	0	0	0	109.2	Y744	Y744-D746 PolarHBondContact O-N 2.91Å
747	V	26.2	Very low	27.9	Very low	116 Å²	116	152.5 Å²	152.5	70%	0.703	82%	0.82	S	S	*	*			trans	-118.1	102.8	166.1	-174.2	0	0	0	0	106.9	V745	V745-V747 HydrophobicContact CG1-CG2 3.93Å; V745-V747 PolarHBondContact O-N 3.17Å
748	T	30.8	Very low	27.6	Very low	139 Å²	139	149.8 Å²	149.8	85%	0.853	81%	0.814	S	S	*	*			trans	175	100.5	136.3	29.9	0	0	0	0	109.1
749	G	26.4	Very low	27.7	Very low	65 Å²	65	144.6 Å²	144.6	67%	0.67	81%	0.812	S	S	*	*			trans	-78.4	172.2	160	0	0	0	0	0	111.7
750	T	26.4	Very low	27.6	Very low	146 Å²	146	137 Å²	137	90%	0.896	81%	0.809	S	S	*	*			trans	73.9	96.2	163.7	62.9	0	0	0	0	118.7
751	S	31.1	Very low	27.6	Very low	125 Å²	125	138.1 Å²	138.1	87%	0.874	82%	0.821	S	S	*	*				-160.7	131.6	104.5	47.3	0	0	0	0	111.1
752	S	28.5	Very low	27.6	Very low	110 Å²	110	133.8 Å²	133.8	77%	0.769	81%	0.814	S	S	*	*			trans	-72.5	146.8	-174.4	31.8	0	0	0	0	113.2
753	S	25.4	Very low	27.5	Very low	113 Å²	113	135.5 Å²	135.5	79%	0.79	82%	0.815	S	S	*	*			trans	9.8	127.9	136.7	-60.3	0	0	0	0	117.4
754	E	28.7	Very low	27.6	Very low	189 Å²	189	136.3 Å²	136.3	88%	0.883	81%	0.806	S	S	*	*				-161.2	116.4	113.3	-108.9	173.6	178.3	0	0	112.6
755	K	23.2	Very low	27.4	Very low	197 Å²	197	133.3 Å²	133.3	86%	0.857	80%	0.804	S	S	*	*			trans	-62.4	142.2	151.2	-72.3	168.9	170.2	174.4	0	108.1
756	K	30.1	Very low	27.8	Very low	202 Å²	202	142.6 Å²	142.6	88%	0.878	83%	0.825	S	S	*	*				-167.1	128.1	123.1	-105.6	164.7	-172.8	177.4	0	112.3
757	T	29.5	Very low	27.9	Very low	139 Å²	139	141.3 Å²	141.3	85%	0.853	82%	0.821	S	S	*	*			trans	-74.5	159.9	175.6	40.7	0	0	0	0	112.2
758	S	26.4	Very low	28	Very low	101 Å²	101	142.6 Å²	142.6	71%	0.706	83%	0.827	S	S	*	*			trans	-64.8	164.2	-176.9	64.3	0	0	0	0	115.9
759	S	26.7	Very low	27.9	Very low	114 Å²	114	142.8 Å²	142.8	80%	0.797	83%	0.825	S	S	*	*			trans	65.9	111	139.1	62.6	0	0	0	0	118.6
760	G	31	Very low	27.9	Very low	81 Å²	81	147.4 Å²	147.4	84%	0.835	83%	0.834	S	S	*	*			trans	-170.4	68.6	166.4	0	0	0	0	0	111.3
761	S	26.2	Very low	28	Very low	129 Å²	129	147.4 Å²	147.4	90%	0.902	83%	0.831	S	S	*	*			trans	-73.1	127.7	167.3	54.5	0	0	0	0	110.7
762	G	30.9	Very low	27.8	Very low	69 Å²	69	148.9 Å²	148.9	71%	0.711	83%	0.828	S	S	*	*			trans	-173.7	91.1	165.1	0	0	0	0	0	107.5
763	K	28.3	Very low	27.8	Very low	186 Å²	186	151.7 Å²	151.7	81%	0.809	83%	0.832	S	S	*	*				62.8	108.4	91.6	-86.8	-163.6	171.5	-164.1	0	114.5
764	E	24.3	Very low	28	Very low	140 Å²	140	154.7 Å²	154.7	65%	0.654	84%	0.835	S	S	*	*				69.6	123.3	126.6	-76.9	178.3	131.9	0	0	121.4
765	N	25.3	Very low	27.9	Very low	140 Å²	140	151.8 Å²	151.8	75%	0.749	83%	0.831	S	S	*	*			trans	75.7	94.6	133.3	-63.1	-16.6	0	0	0	119.2
766	R	33.1	Very low	28.3	Very low	324 Å²	324	147.7 Å²	147.7	100%	1.223	83%	0.829	S	S	*	*				-159	0	101.6	-116.7	-179	-177.1	-179.1	1.2	111.3

Retrieved 766 of 766 residues in 386.2 ms (Link to these results)

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